| 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 | 35.4 | Very low | 32.6 | Very low | 237 Ų | 237 | 157.5 Ų | 157.5 | 100% | 1.167 | 83% | 0.834 | S | S | * | * | 0 | 104.2 | 0 | -91.7 | 166.8 | 166.1 | 0 | 0 | 105.9 | |||||
| 2 | E | 35.2 | Very low | 32.4 | Very low | 181 Ų | 181 | 153.3 Ų | 153.3 | 85% | 0.846 | 83% | 0.827 | S | S | * | * | trans | 50.2 | 131.7 | 159 | -62.7 | 168.5 | 167.8 | 0 | 0 | 118.3 | ||||
| 3 | D | 34.4 | Very low | 32.6 | Very low | 154 Ų | 154 | 150.3 Ų | 150.3 | 82% | 0.824 | 82% | 0.821 | S | S | * | * | cis | -165.5 | 143.8 | -9.9 | -109.5 | -19.6 | 0 | 0 | 0 | 105.7 | ||||
| 4 | S | 28.3 | Very low | 32.2 | Very low | 111 Ų | 111 | 148.9 Ų | 148.9 | 78% | 0.776 | 82% | 0.819 | S | S | * | * | trans | -78.8 | -173.3 | 169.6 | -58.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 5 | P | 51 | Low | 32 | Very low | 115 Ų | 115 | 151.6 Ų | 151.6 | 75% | 0.747 | 83% | 0.827 | S | S | * | * | cis | -136.6 | 168.3 | -15.9 | 19.7 | 6.4 | 0 | 0 | 0 | 116.1 | ||||
| 6 | T | 34.7 | Very low | 31.8 | Very low | 124 Ų | 124 | 150.4 Ų | 150.4 | 76% | 0.761 | 83% | 0.826 | S | S | * | * | trans | 7.1 | 135.8 | 138.6 | -13.8 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 7 | M | 29.7 | Very low | 31.6 | Very low | 197 Ų | 197 | 155.9 Ų | 155.9 | 97% | 0.97 | 83% | 0.831 | S | S | * | * | trans | -157.6 | 140.7 | 133.3 | -110.1 | -169.5 | -149.1 | 0 | 0 | 113.5 | ||||
| 8 | V | 29.8 | Very low | 31.6 | Very low | 120 Ų | 120 | 151 Ų | 151 | 73% | 0.727 | 82% | 0.824 | S | S | * | * | trans | -100.6 | 142.4 | 178 | 169.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 9 | R | 25.8 | Very low | 31.6 | Very low | 230 Ų | 230 | 152.7 Ų | 152.7 | 87% | 0.868 | 83% | 0.826 | S | S | * | * | trans | 162.3 | 122.3 | 139.1 | -95.6 | -179.4 | 172.9 | 167.3 | -1.6 | 110.6 | ||||
| 10 | V | 27.3 | Very low | 31.4 | Very low | 111 Ų | 111 | 152.8 Ų | 152.8 | 67% | 0.673 | 83% | 0.825 | S | S | * | * | 92.2 | 129.4 | 74.9 | 165.7 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 11 | D | 26.7 | Very low | 31.3 | Very low | 152 Ų | 152 | 154.4 Ų | 154.4 | 81% | 0.813 | 83% | 0.828 | S | S | * | * | trans | 93.4 | 132.5 | 156.6 | -67.6 | -23.6 | 0 | 0 | 0 | 124.2 | ||||
| 12 | S | 30.3 | Very low | 31.1 | Very low | 108 Ų | 108 | 149.2 Ų | 149.2 | 76% | 0.755 | 81% | 0.809 | S | S | * | * | trans | -67.8 | 173.6 | -179.9 | -35.2 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 13 | P | 34.9 | Very low | 30.8 | Very low | 114 Ų | 114 | 145.1 Ų | 145.1 | 74% | 0.74 | 80% | 0.8 | S | S | * | * | -149.7 | 156.2 | 69.3 | 33.6 | -10.5 | 0 | 0 | 0 | 117.7 | |||||
| 14 | T | 27.6 | Very low | 30.9 | Very low | 131 Ų | 131 | 143.6 Ų | 143.6 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | trans | 4 | 116.5 | 146.6 | -2.7 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 15 | M | 28.6 | Very low | 31 | Very low | 189 Ų | 189 | 144.4 Ų | 144.4 | 93% | 0.931 | 80% | 0.803 | S | S | * | * | trans | -113.2 | 111.3 | 155.9 | -87.7 | -161.7 | 170.4 | 0 | 0 | 110.8 | R17 | M15-R17 PolarHBondContact O-N 3.16Š| ||
| 16 | V | 28.6 | Very low | 30.3 | Very low | 133 Ų | 133 | 148.7 Ų | 148.7 | 81% | 0.806 | 81% | 0.813 | S | S | * | * | trans | -57.1 | 115 | 167.1 | 174.9 | 0 | 0 | 0 | 0 | 108.9 | G18 | V16-G18 PolarHBondContact O-N 3.17Š| ||
| 17 | R | 29.8 | Very low | 30.5 | Very low | 243 Ų | 243 | 146.1 Ų | 146.1 | 92% | 0.917 | 81% | 0.811 | S | S | * | * | trans | -82.4 | 108.3 | 168.4 | -161 | 175.7 | -152.3 | -149.4 | 4.5 | 107.6 | M15 E19 | M15-R17 PolarHBondContact O-N 3.16Å; R17-E19 PolarHBondContact O-N 3.35Å; R17-E19 VanDerWaalsContact O-N 3.16Å | ||
| 18 | G | 30.1 | Very low | 31.1 | Very low | 68 Ų | 68 | 148.3 Ų | 148.3 | 70% | 0.701 | 81% | 0.809 | S | S | * | * | trans | -56.7 | 114 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | V16 | V16-G18 PolarHBondContact O-N 3.17Š| ||
| 19 | E | 31.5 | Very low | 31.9 | Very low | 184 Ų | 184 | 153.3 Ų | 153.3 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | trans | -69 | 121.4 | 147.4 | -69.7 | -179.1 | 144.1 | 0 | 0 | 107.7 | R17 | R17-E19 PolarHBondContact O-N 3.35Å; R17-E19 VanDerWaalsContact O-N 3.16Å | ||
| 20 | N | 28.1 | Very low | 32.9 | Very low | 153 Ų | 153 | 148.6 Ų | 148.6 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | trans | -165.3 | 67.9 | 152.4 | -97 | -21 | 0 | 0 | 0 | 108.6 | V22 | N20-V22 VanDerWaalsContact C-N 3.3Å; N20-V22 PolarHBondContact O-N 3.39Å | ||
| 21 | Q | 29.8 | Very low | 34.3 | Very low | 187 Ų | 187 | 150 Ų | 150 | 87% | 0.874 | 81% | 0.813 | S | S | * | * | trans | -72.4 | 94.8 | 151.4 | -80.2 | -174.8 | 0.4 | 0 | 0 | 106.9 | S23 | Q21-S23 PolarHBondContact O-N 2.96Š| ||
| 22 | V | 30.5 | Very low | 36.6 | Very low | 128 Ų | 128 | 146.7 Ų | 146.7 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | trans | -67.4 | 100.6 | 170.5 | 179.5 | 0 | 0 | 0 | 0 | 107.5 | N20 | N20-V22 VanDerWaalsContact C-N 3.3Å; N20-V22 PolarHBondContact O-N 3.39Å | ||
| 23 | S | 30.2 | Very low | 38.8 | Very low | 95 Ų | 95 | 151.2 Ų | 151.2 | 66% | 0.664 | 81% | 0.806 | S | S | * | * | trans | -63.7 | 131 | 169.1 | -62.4 | 0 | 0 | 0 | 0 | 108.8 | Q21 C25 | Q21-S23 PolarHBondContact O-N 2.96Å; S23-C25 PolarHBondContact O-N 3.31Å | ||
| 24 | P | 36.3 | Very low | 41.1 | Very low | 123 Ų | 123 | 149.4 Ų | 149.4 | 80% | 0.799 | 80% | 0.8 | S | S | * | * | trans | -70.1 | 121.7 | 175.3 | 17.8 | -14.5 | 0 | 0 | 0 | 109.1 | Q26 | P24-Q26 PolarHBondContact O-N 2.76Š| ||
| 25 | C | 30.1 | Very low | 43.7 | Very low | 127 Ų | 127 | 146.5 Ų | 146.5 | 86% | 0.858 | 78% | 0.779 | S | S | * | * | trans | -38.8 | 123.4 | 179.1 | -67.8 | 0 | 0 | 0 | 0 | 113.1 | S23 G27 | S23-C25 PolarHBondContact O-N 3.31Å; C25-G27 PolarHBondContact O-N 3.21Å | ||
| 26 | Q | 35.5 | Very low | 46.4 | Very low | 206 Ų | 206 | 139.8 Ų | 139.8 | 96% | 0.963 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -64.9 | 99.4 | 169.1 | -83.3 | 170.9 | -31.7 | 0 | 0 | 110 | P24 | P24-Q26 PolarHBondContact O-N 2.76Š|
| 27 | G | 39.4 | Very low | 49.3 | Very low | 70 Ų | 70 | 136.7 Ų | 136.7 | 72% | 0.722 | 73% | 0.733 | S | S | * | * | trans | -151.9 | 38 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | C25 R29 | C25-G27 PolarHBondContact O-N 3.21Å; G27-R29 PolarHBondContact O-N 3.27Å | ||
| 28 | R | 41.4 | Very low | 52.3 | Low | 243 Ų | 243 | 126.9 Ų | 126.9 | 92% | 0.917 | 70% | 0.7 | S | S | * | * | trans | -83 | 99.1 | -179.5 | -80.9 | -175.4 | 176 | -176.3 | -1.8 | 109.9 | C30 | R28-C30 PolarHBondContact O-N 3.04Š| ||
| 29 | R | 47.9 | Very low | 55.5 | Low | 224 Ų | 224 | 126.1 Ų | 126.1 | 85% | 0.845 | 68% | 0.682 | S | S | * | * | trans | -49.9 | 125.4 | 148.3 | -81.1 | 178.1 | 173.6 | 176.3 | -2.7 | 106.8 | G27 F31 | G27-R29 PolarHBondContact O-N 3.27Å; R29-F31 PolarHBondContact O-N 3.23Å | ||
| 30 | C | 46.1 | Very low | 58.6 | Low | 131 Ų | 131 | 117.5 Ų | 117.5 | 89% | 0.885 | 64% | 0.642 | S | S | * | * | trans | -70.1 | 76 | -177.3 | -155.8 | 0 | 0 | 0 | 0 | 109.3 | R28 | R28-C30 PolarHBondContact O-N 3.04Š| ||
| 31 | F | 55.9 | Low | 61.8 | Low | 142 Ų | 142 | 111.3 Ų | 111.3 | 62% | 0.623 | 61% | 0.609 | S | S | * | * | trans | -65.5 | 128 | 165.8 | -105.5 | -97 | 0 | 0 | 0 | 107.1 | R29 K33 L35 | R29-F31 PolarHBondContact O-N 3.23Å; F31-K33 PolarHBondContact O-N 3.24Å; F31-L35 HydrophobicContact CD1-CD2 3.75Å; F31-L35 HydrophobicContact CD1-CG 4.33Å; F31-L35 HydrophobicContact CE1-CD2 3.67Å; F31-L35 HydrophobicContact CE1-CG 4.47Å | ||
| 32 | P | 75.4 | Confident | 65 | Low | 82 Ų | 82 | 102.8 Ų | 102.8 | 53% | 0.532 | 57% | 0.569 | S | S | . | * | trans | -54 | 128.1 | 177.1 | -22.8 | 31.6 | 0 | 0 | 0 | 109.3 | A34 L35 G36 | P32-A34 PolarHBondContact O-N 3.29Å; P32-L35 HydrophobicContact CB-CB 4.44Å; P32-L35 WeakPolarHBondContact O-CB 3.45Å; P32-L35 PolarHBondContact O-N 2.87Å; P32-G36 PolarHBondContact O-N 3.42Å | ||
| 33 | K | 76.8 | Confident | 68 | Low | 203 Ų | 203 | 100.6 Ų | 100.6 | 88% | 0.883 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -50.8 | -35.6 | -176.3 | -72.6 | -178.2 | 179.3 | 177.6 | 0 | 112.9 | F31 Y37 | F31-K33 PolarHBondContact O-N 3.24Å; K33-Y37 PolarHBondContact O-N 3.5Å |
| 34 | A | 83.6 | Confident | 71.1 | Confident | 76 Ų | 76 | 101.5 Ų | 101.5 | 63% | 0.628 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -64.2 | -38 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113 | P32 Y37 V38 | P32-A34 PolarHBondContact O-N 3.29Å; A34-Y37 PolarHBondContact O-N 3.04Å; A34-V38 PolarHBondContact O-N 3.48Å |
| 35 | L | 82.7 | Confident | 73.9 | Confident | 69 Ų | 69 | 97.5 Ų | 97.5 | 36% | 0.361 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -68.2 | -40.7 | -179.2 | -169.4 | 60.5 | 0 | 0 | 0 | 110.9 | F31 P32 Y37 V38 T39 L251 | F31-L35 HydrophobicContact CD1-CD2 3.75Å; F31-L35 HydrophobicContact CD1-CG 4.33Å; F31-L35 HydrophobicContact CE1-CD2 3.67Å; F31-L35 HydrophobicContact CE1-CG 4.47Å; P32-L35 HydrophobicContact CB-CB 4.44Å; P32-L35 WeakPolarHBondContact O-CB 3.45Å; P32-L35 PolarHBondContact O-N 2.87Å; L35-Y37 PolarHBondContact O-N 3.14Å; L35-V38 HydrophobicContact CD1-CG2 4.18Å; L35-V38 WeakPolarHBondContact O-CG2 3.44Å; L35-V38 PolarHBondContact O-N 2.68Å; L35-T39 HydrophobicContact CD1-CG2 4.43Å; L35-T39 HydrophobicContact CG-CG2 4.27Å; L35-T39 WeakPolarHBondContact O-CG2 3.17Å; L35-T39 PolarHBondContact O-N 3.21Å; L35-T39 PolarHBondContact O-OG1 3.29Å; L35-L251 HydrophobicContact CD1-CD1 4.37Å |
| 36 | G | 83.7 | Confident | 77 | Confident | 48 Ų | 48 | 92.9 Ų | 92.9 | 50% | 0.495 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.4 | -23.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | P32 T39 | P32-G36 PolarHBondContact O-N 3.42Å; G36-T39 PolarHBondContact O-OG1 3.21Å |
| 37 | Y | 90.5 | Very high | 79.8 | Confident | 69 Ų | 69 | 87.3 Ų | 87.3 | 27% | 0.271 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -80.1 | -27.3 | 178.1 | -171.1 | -92.6 | 0 | 0 | 0 | 112.9 | K33 A34 L35 M42 E44 L45 Q48 | K33-Y37 PolarHBondContact O-N 3.5Å; A34-Y37 PolarHBondContact O-N 3.04Å; L35-Y37 PolarHBondContact O-N 3.14Å; Y37-M42 HydrophobicContact CD1-CE 4.21Å; Y37-M42 HydrophobicContact CE1-CE 4.17Å; Y37-E44 HydrophobicContact CD2-CB 4.41Å; Y37-E44 HydrophobicContact CD2-CG 4.42Å; Y37-E44 HydrophobicContact CE2-CB 3.99Å; Y37-E44 HydrophobicContact CE2-CG 3.83Å; Y37-L45 HydrophobicContact CE1-CB 4.18Å; Y37-L45 WeakPolarHBondContact OH-CA 3.31Å; Y37-Q48 PolarHBondContact OH-OE1 2.98Å |
| 38 | V | 93.8 | Very high | 82.4 | Confident | 36 Ų | 36 | 88.1 Ų | 88.1 | 22% | 0.218 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -100.7 | -7 | -177.2 | -60.8 | 0 | 0 | 0 | 0 | 114 | A34 L35 M42 N74 V76 L251 | A34-V38 PolarHBondContact O-N 3.48Å; L35-V38 HydrophobicContact CD1-CG2 4.18Å; L35-V38 WeakPolarHBondContact O-CG2 3.44Å; L35-V38 PolarHBondContact O-N 2.68Å; V38-M42 HydrophobicContact CB-CE 4.46Å; V38-M42 HydrophobicContact CG1-CE 4.16Å; V38-N74 PolarHBondContact O-ND2 2.82Å; V38-V76 HydrophobicContact CG1-CG2 4.38Å; V38-L251 HydrophobicContact CG2-CD1 3.83Å |
| 39 | T | 96 | Very high | 85 | Confident | 53 Ų | 53 | 77.7 Ų | 77.7 | 33% | 0.325 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -82.3 | 163.7 | 176.4 | 52.7 | 0 | 0 | 0 | 0 | 112.9 | L35 G36 L251 | L35-T39 HydrophobicContact CD1-CG2 4.43Å; L35-T39 HydrophobicContact CG-CG2 4.27Å; L35-T39 WeakPolarHBondContact O-CG2 3.17Å; L35-T39 PolarHBondContact O-N 3.21Å; L35-T39 PolarHBondContact O-OG1 3.29Å; G36-T39 PolarHBondContact O-OG1 3.21Å; T39-L251 WeakPolarHBondContact CA-O 3.34Å; T39-L251 WeakPolarHBondContact CG2-O 3.45Å |
| 40 | G | 96.2 | Very high | 87.1 | Confident | 2 Ų | 2 | 73.2 Ų | 73.2 | 2% | 0.021 | 40% | 0.396 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 63.3 | -141.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | N74 S252 | G40-N74 PolarHBondContact O-ND2 3.29Å; G40-S252 WeakPolarHBondContact CA-O 3.43Å; G40-S252 PolarHBondContact N-O 3.23Å; G40-S252 PolarHBondContact O-OG 3.2Å |
| 41 | D | 95.4 | Very high | 89.4 | Confident | 23 Ų | 23 | 73.8 Ų | 73.8 | 12% | 0.123 | 39% | 0.391 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95 | 8.5 | -177.4 | 61.7 | -17.1 | 0 | 0 | 0 | 114.6 | K43 R64 N73 | D41-K43 VanDerWaalsContact C-N 3.32Å; D41-K43 PolarHBondContact O-N 3.38Å; D41-K43 WeakPolarHBondContact OD1-CE 3.45Å; D41-K43 VanDerWaalsContact OD1-CG 3.31Å; D41-K43 WeakPolarHBondContact OD1-CG 3.41Å; D41-K43 WeakPolarHBondContact OD2-CE 3.39Å; D41-K43 WeakPolarHBondContact OD2-CG 3.34Å; D41-K43 IonicContact OD2-NZ 2.9Å; D41-R64 PolarHBondContact O-NH1 3.23Å; D41-N73 CarbonylContact C-O 3.58Å; D41-N73 WeakPolarHBondContact CA-O 3.46Å; D41-N73 HydrophobicContact CB-CB 4.08Å; D41-N73 VanDerWaalsContact O-O 3.07Å |
| 42 | M | 97.2 | Very high | 91.4 | Very high | 9 Ų | 9 | 72.1 Ų | 72.1 | 4% | 0.044 | 38% | 0.383 | C | S | . | . | trans | 49.2 | 46.4 | 177.8 | -60.1 | -176.5 | 69.7 | 0 | 0 | 113.7 | Y37 V38 E44 L45 A46 R64 N74 P75 V76 | Y37-M42 HydrophobicContact CD1-CE 4.21Å; Y37-M42 HydrophobicContact CE1-CE 4.17Å; V38-M42 HydrophobicContact CB-CE 4.46Å; V38-M42 HydrophobicContact CG1-CE 4.16Å; M42-E44 PolarHBondContact O-N 2.91Å; M42-L45 HydrophobicContact CB-CB 4.28Å; M42-L45 HydrophobicContact CE-CB 4.18Å; M42-L45 HydrophobicContact CE-CD2 3.54Å; M42-L45 HydrophobicContact CE-CG 4.48Å; M42-L45 PolarHBondContact O-N 2.98Å; M42-L45 HydrophobicContact SD-CD2 4.49Å; M42-A46 PolarHBondContact O-N 3.17Å; M42-A46 VanDerWaalsContact O-N 3.12Å; M42-R64 PolarHBondContact O-NH2 3.45Å; M42-N74 PolarHBondContact SD-OD1 3.32Å; M42-P75 HydrophobicContact SD-CG 3.91Å; M42-V76 HydrophobicContact CE-CG2 3.93Å; M42-V76 HydrophobicContact SD-CB 4.34Å; M42-V76 HydrophobicContact SD-CG2 3.73Å | ||
| 43 | K | 94.3 | Very high | 92.4 | Very high | 82 Ų | 82 | 72.3 Ų | 72.3 | 36% | 0.357 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -55.1 | -34.1 | 179.5 | -64.5 | 172.7 | -168.3 | 169.8 | 0 | 113.1 | D41 A46 N47 E372 | D41-K43 VanDerWaalsContact C-N 3.32Å; D41-K43 PolarHBondContact O-N 3.38Å; D41-K43 WeakPolarHBondContact OD1-CE 3.45Å; D41-K43 VanDerWaalsContact OD1-CG 3.31Å; D41-K43 WeakPolarHBondContact OD1-CG 3.41Å; D41-K43 WeakPolarHBondContact OD2-CE 3.39Å; D41-K43 WeakPolarHBondContact OD2-CG 3.34Å; D41-K43 IonicContact OD2-NZ 2.9Å; K43-A46 PolarHBondContact O-N 3.09Å; K43-N47 WeakPolarHBondContact O-CB 3.32Å; K43-N47 PolarHBondContact O-N 3.39Å; K43-N47 PolarHBondContact O-ND2 3.18Å; K43-E372 IonicContact NZ-OE1 3.79Å; K43-E372 PolarHBondContact NZ-OE1 2.95Å; K43-E372 IonicContact NZ-OE2 2.74Å; K43-E372 PolarHBondContact NZ-OE2 3.33Å |
| 44 | E | 94.9 | Very high | 93.3 | Very high | 114 Ų | 114 | 67.4 Ų | 67.4 | 53% | 0.533 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -65 | -46.4 | -179.8 | -167.2 | 176.3 | 167.8 | 0 | 0 | 111.4 | Y37 M42 N47 Q48 | Y37-E44 HydrophobicContact CD2-CB 4.41Å; Y37-E44 HydrophobicContact CD2-CG 4.42Å; Y37-E44 HydrophobicContact CE2-CB 3.99Å; Y37-E44 HydrophobicContact CE2-CG 3.83Å; M42-E44 PolarHBondContact O-N 2.91Å; E44-N47 PolarHBondContact O-N 3.43Å; E44-Q48 VanDerWaalsContact O-CG 3.31Å; E44-Q48 WeakPolarHBondContact O-CG 3.47Å; E44-Q48 PolarHBondContact O-N 3.44Å |
| 45 | L | 94.8 | Very high | 94 | Very high | 38 Ų | 38 | 68.4 Ų | 68.4 | 20% | 0.199 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -60.3 | -46.8 | 173.2 | 178 | 63.9 | 0 | 0 | 0 | 111 | Y37 M42 N47 Q48 L49 P75 | Y37-L45 HydrophobicContact CE1-CB 4.18Å; Y37-L45 WeakPolarHBondContact OH-CA 3.31Å; M42-L45 HydrophobicContact CB-CB 4.28Å; M42-L45 HydrophobicContact CE-CB 4.18Å; M42-L45 HydrophobicContact CE-CD2 3.54Å; M42-L45 HydrophobicContact CE-CG 4.48Å; M42-L45 PolarHBondContact O-N 2.98Å; M42-L45 HydrophobicContact SD-CD2 4.49Å; L45-N47 VanDerWaalsContact C-N 3.27Å; L45-N47 PolarHBondContact O-N 2.9Å; L45-Q48 PolarHBondContact O-N 3.46Å; L45-Q48 VanDerWaalsContact O-N 3.14Å; L45-L49 HydrophobicContact CD1-CD1 4.05Å; L45-L49 HydrophobicContact CD1-CG 4.01Å; L45-L49 HydrophobicContact CD2-CD1 4.43Å; L45-L49 HydrophobicContact CG-CD1 3.85Å; L45-L49 HydrophobicContact CG-CG 4.24Å; L45-L49 WeakPolarHBondContact O-CB 3.39Å; L45-L49 WeakPolarHBondContact O-CG 3.44Å; L45-L49 PolarHBondContact O-N 3.44Å; L45-P75 HydrophobicContact CD2-CG 3.82Å |
| 46 | A | 94.6 | Very high | 94.7 | Very high | 30 Ų | 30 | 69.2 Ų | 69.2 | 25% | 0.248 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -58.1 | -39.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | M42 K43 | M42-A46 PolarHBondContact O-N 3.17Å; M42-A46 VanDerWaalsContact O-N 3.12Å; K43-A46 PolarHBondContact O-N 3.09Å |
| 47 | N | 94.9 | Very high | 95.4 | Very high | 89 Ų | 89 | 68.9 Ų | 68.9 | 48% | 0.476 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -68.7 | -41.9 | 175.9 | -74.8 | -34 | 0 | 0 | 0 | 112.3 | K43 E44 L45 L49 K50 | K43-N47 WeakPolarHBondContact O-CB 3.32Å; K43-N47 PolarHBondContact O-N 3.39Å; K43-N47 PolarHBondContact O-ND2 3.18Å; E44-N47 PolarHBondContact O-N 3.43Å; L45-N47 VanDerWaalsContact C-N 3.27Å; L45-N47 PolarHBondContact O-N 2.9Å; N47-L49 VanDerWaalsContact C-N 3.3Å; N47-L49 PolarHBondContact O-N 3.3Å; N47-K50 PolarHBondContact O-N 2.93Å; N47-K50 PolarHBondContact OD1-NZ 3.12Å |
| 48 | Q | 95.1 | Very high | 95.7 | Very high | 88 Ų | 88 | 67.6 Ų | 67.6 | 41% | 0.411 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -66.5 | -31.1 | 178.1 | -71.7 | 172.4 | -5.6 | 0 | 0 | 112.9 | Y37 E44 L45 K50 K52 | Y37-Q48 PolarHBondContact OH-OE1 2.98Å; E44-Q48 VanDerWaalsContact O-CG 3.31Å; E44-Q48 WeakPolarHBondContact O-CG 3.47Å; E44-Q48 PolarHBondContact O-N 3.44Å; L45-Q48 PolarHBondContact O-N 3.46Å; L45-Q48 VanDerWaalsContact O-N 3.14Å; Q48-K50 VanDerWaalsContact C-N 3.33Å; Q48-K52 VanDerWaalsContact O-CG 3.32Å; Q48-K52 WeakPolarHBondContact O-CG 2.75Å |
| 49 | L | 95.1 | Very high | 96 | Very high | 24 Ų | 24 | 69.9 Ų | 69.9 | 13% | 0.126 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -73.2 | -20 | 179.7 | -76.9 | 174.7 | 0 | 0 | 0 | 113.8 | L45 N47 D51 K52 L56 Q57 D60 | L45-L49 HydrophobicContact CD1-CD1 4.05Å; L45-L49 HydrophobicContact CD1-CG 4.01Å; L45-L49 HydrophobicContact CD2-CD1 4.43Å; L45-L49 HydrophobicContact CG-CD1 3.85Å; L45-L49 HydrophobicContact CG-CG 4.24Å; L45-L49 WeakPolarHBondContact O-CB 3.39Å; L45-L49 WeakPolarHBondContact O-CG 3.44Å; L45-L49 PolarHBondContact O-N 3.44Å; N47-L49 VanDerWaalsContact C-N 3.3Å; N47-L49 PolarHBondContact O-N 3.3Å; L49-D51 PolarHBondContact O-N 3.2Å; L49-K52 HydrophobicContact CD2-CB 4.24Å; L49-K52 HydrophobicContact CD2-CG 4.25Å; L49-K52 WeakPolarHBondContact O-CB 3.14Å; L49-K52 PolarHBondContact O-N 2.86Å; L49-L56 HydrophobicContact CD2-CB 4.31Å; L49-Q57 HydrophobicContact CB-CG 4.47Å; L49-Q57 VanDerWaalsContact O-CD 3.28Å; L49-Q57 VanDerWaalsContact O-CG 3.22Å; L49-Q57 WeakPolarHBondContact O-CG 3.32Å; L49-Q57 PolarHBondContact O-NE2 3.26Å; L49-Q57 VanDerWaalsContact O-NE2 3.17Å; L49-D60 HydrophobicContact CD1-CB 3.61Å |
| 50 | K | 93.2 | Very high | 96.1 | Very high | 130 Ų | 130 | 67.9 Ų | 67.9 | 57% | 0.565 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -34.5 | -179.4 | -72.4 | 172.6 | 179.4 | 168.1 | 0 | 113 | N47 Q48 Q57 | N47-K50 PolarHBondContact O-N 2.93Å; N47-K50 PolarHBondContact OD1-NZ 3.12Å; Q48-K50 VanDerWaalsContact C-N 3.33Å; K50-Q57 PolarHBondContact O-NE2 3.39Å; K50-Q57 VanDerWaalsContact O-NE2 3.09Å |
| 51 | D | 94.2 | Very high | 96.2 | Very high | 143 Ų | 143 | 69 Ų | 69 | 77% | 0.765 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99 | 14 | -179.6 | -52.9 | -43 | 0 | 0 | 0 | 113 | L49 | L49-D51 PolarHBondContact O-N 3.2Š|
| 52 | K | 96.1 | Very high | 96.4 | Very high | 106 Ų | 106 | 68.1 Ų | 68.1 | 46% | 0.461 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -105 | 164.2 | -178.9 | -58.8 | -62.1 | 176.9 | -119 | 0 | 111 | Q48 L49 V54 Q57 | Q48-K52 VanDerWaalsContact O-CG 3.32Å; Q48-K52 WeakPolarHBondContact O-CG 2.75Å; L49-K52 HydrophobicContact CD2-CB 4.24Å; L49-K52 HydrophobicContact CD2-CG 4.25Å; L49-K52 WeakPolarHBondContact O-CB 3.14Å; L49-K52 PolarHBondContact O-N 2.86Å; K52-V54 PolarHBondContact O-N 2.88Å; K52-Q57 PolarHBondContact O-NE2 3.36Å |
| 53 | P | 97.1 | Very high | 96.5 | Very high | 87 Ų | 87 | 68.9 Ų | 68.9 | 57% | 0.565 | 36% | 0.355 | S | S | * | . | trans | -49.4 | 137.6 | 178.9 | -29.8 | 35.8 | 0 | 0 | 0 | 113 | V55 L56 Q57 | P53-V55 PolarHBondContact O-N 2.79Å; P53-V55 VanDerWaalsContact O-N 3.08Å; P53-L56 WeakPolarHBondContact O-CB 3.31Å; P53-L56 PolarHBondContact O-N 3.06Å; P53-Q57 PolarHBondContact O-N 3.04Å | ||
| 54 | V | 96.4 | Very high | 96.7 | Very high | 100 Ų | 100 | 65.2 Ų | 65.2 | 61% | 0.606 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -56.1 | -30.6 | -176.1 | 66.6 | 0 | 0 | 0 | 0 | 113.2 | K52 L56 Q57 F58 | K52-V54 PolarHBondContact O-N 2.88Å; V54-L56 VanDerWaalsContact C-N 3.33Å; V54-L56 PolarHBondContact O-N 3.37Å; V54-Q57 PolarHBondContact O-N 3.25Å; V54-F58 WeakPolarHBondContact O-CB 3.21Å; V54-F58 PolarHBondContact O-N 2.9Å |
| 55 | V | 97.8 | Very high | 96.9 | Very high | 96 Ų | 96 | 59.8 Ų | 59.8 | 58% | 0.582 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -63.1 | -39.4 | 176.7 | -179.9 | 0 | 0 | 0 | 0 | 111.3 | P53 F58 I59 | P53-V55 PolarHBondContact O-N 2.79Å; P53-V55 VanDerWaalsContact O-N 3.08Å; V55-F58 PolarHBondContact O-N 3.25Å; V55-I59 HydrophobicContact CG1-CD1 4.12Å; V55-I59 VanDerWaalsContact O-CG1 3.3Å; V55-I59 WeakPolarHBondContact O-CG1 3.4Å; V55-I59 PolarHBondContact O-N 2.86Å |
| 56 | L | 97.6 | Very high | 97.1 | Very high | 87 Ų | 87 | 58 Ų | 58 | 46% | 0.455 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -69.8 | -38.9 | 176.8 | -62.9 | -177.9 | 0 | 0 | 0 | 111.5 | L49 P53 V54 F58 I59 D60 | L49-L56 HydrophobicContact CD2-CB 4.31Å; P53-L56 WeakPolarHBondContact O-CB 3.31Å; P53-L56 PolarHBondContact O-N 3.06Å; V54-L56 VanDerWaalsContact C-N 3.33Å; V54-L56 PolarHBondContact O-N 3.37Å; L56-F58 VanDerWaalsContact C-N 3.32Å; L56-I59 PolarHBondContact O-N 3.39Å; L56-D60 PolarHBondContact O-N 3.13Å |
| 57 | Q | 97.7 | Very high | 97.3 | Very high | 41 Ų | 41 | 56.6 Ų | 56.6 | 19% | 0.192 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.5 | -44.7 | 172.9 | -59.1 | -172.9 | 40.6 | 0 | 0 | 110.5 | L49 K50 K52 P53 V54 I59 D60 W61 | L49-Q57 HydrophobicContact CB-CG 4.47Å; L49-Q57 VanDerWaalsContact O-CD 3.28Å; L49-Q57 VanDerWaalsContact O-CG 3.22Å; L49-Q57 WeakPolarHBondContact O-CG 3.32Å; L49-Q57 PolarHBondContact O-NE2 3.26Å; L49-Q57 VanDerWaalsContact O-NE2 3.17Å; K50-Q57 PolarHBondContact O-NE2 3.39Å; K50-Q57 VanDerWaalsContact O-NE2 3.09Å; K52-Q57 PolarHBondContact O-NE2 3.36Å; P53-Q57 PolarHBondContact O-N 3.04Å; V54-Q57 PolarHBondContact O-N 3.25Å; Q57-I59 PolarHBondContact O-N 2.98Å; Q57-D60 WeakPolarHBondContact O-CB 3.25Å; Q57-D60 PolarHBondContact O-N 3.37Å; Q57-W61 HydrophobicContact CB-CZ2 3.83Å; Q57-W61 PolarHBondContact O-N 3.18Å; Q57-W61 PolarHBondContact O-NE1 2.92Å |
| 58 | F | 98.4 | Very high | 97.4 | Very high | 41 Ų | 41 | 53.2 Ų | 53.2 | 18% | 0.18 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.9 | -45.7 | 178.1 | -172 | -101.2 | 0 | 0 | 0 | 111.8 | V54 V55 L56 D60 W61 I62 V101 T104 L105 L108 | V54-F58 WeakPolarHBondContact O-CB 3.21Å; V54-F58 PolarHBondContact O-N 2.9Å; V55-F58 PolarHBondContact O-N 3.25Å; L56-F58 VanDerWaalsContact C-N 3.32Å; F58-D60 VanDerWaalsContact C-N 3.33Å; F58-D60 PolarHBondContact O-N 3.13Å; F58-W61 AromaticContact CD2-CE3 3.95Å; F58-W61 HydrophobicContact CD2-CE3 3.95Å; F58-W61 HydrophobicContact CD2-CZ3 4.24Å; F58-W61 WeakPolarHBondContact O-CB 3.35Å; F58-W61 PolarHBondContact O-N 2.89Å; F58-W61 VanDerWaalsContact O-N 3.15Å; F58-I62 HydrophobicContact CD1-CG1 4.16Å; F58-I62 HydrophobicContact CE1-CD1 4Å; F58-I62 HydrophobicContact CE1-CG1 3.85Å; F58-I62 HydrophobicContact CE2-CD1 4.38Å; F58-I62 HydrophobicContact CZ-CD1 3.84Å; F58-I62 HydrophobicContact CZ-CG1 4.21Å; F58-I62 WeakPolarHBondContact O-CG1 3.43Å; F58-I62 PolarHBondContact O-N 2.74Å; F58-V101 HydrophobicContact CE1-CG1 4.23Å; F58-V101 HydrophobicContact CZ-CG1 4.22Å; F58-T104 HydrophobicContact CD2-CG2 4.19Å; F58-T104 HydrophobicContact CE2-CG2 3.58Å; F58-T104 HydrophobicContact CZ-CG2 4.26Å; F58-L105 HydrophobicContact CE2-CD2 3.77Å; F58-L105 HydrophobicContact CE2-CG 4.13Å; F58-L105 HydrophobicContact CZ-CD2 3.76Å; F58-L105 HydrophobicContact CZ-CG 3.79Å; F58-L108 HydrophobicContact CD2-CD1 4.15Å; F58-L108 HydrophobicContact CE2-CD1 3.94Å |
| 59 | I | 98.6 | Very high | 97.6 | Very high | 84 Ų | 84 | 49.1 Ų | 49.1 | 43% | 0.431 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -59.5 | -43.2 | 175.4 | -68.1 | 164.6 | 0 | 0 | 0 | 111.2 | V55 L56 Q57 W61 I62 L63 | V55-I59 HydrophobicContact CG1-CD1 4.12Å; V55-I59 VanDerWaalsContact O-CG1 3.3Å; V55-I59 WeakPolarHBondContact O-CG1 3.4Å; V55-I59 PolarHBondContact O-N 2.86Å; L56-I59 PolarHBondContact O-N 3.39Å; Q57-I59 PolarHBondContact O-N 2.98Å; I59-W61 VanDerWaalsContact C-N 3.33Å; I59-W61 PolarHBondContact O-N 3.35Å; I59-I62 PolarHBondContact O-N 2.82Å; I59-L63 HydrophobicContact CG2-CD1 3.94Å; I59-L63 HydrophobicContact CG2-CG 4.37Å; I59-L63 WeakPolarHBondContact O-CG 3.12Å; I59-L63 PolarHBondContact O-N 2.64Å |
| 60 | D | 98.6 | Very high | 97.8 | Very high | 11 Ų | 11 | 48 Ų | 48 | 6% | 0.059 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -58.4 | -43.4 | 174.5 | 173.5 | 77.6 | 0 | 0 | 0 | 111.7 | L49 L56 Q57 F58 I62 L63 R64 P75 | L49-D60 HydrophobicContact CD1-CB 3.61Å; L56-D60 PolarHBondContact O-N 3.13Å; Q57-D60 WeakPolarHBondContact O-CB 3.25Å; Q57-D60 PolarHBondContact O-N 3.37Å; F58-D60 VanDerWaalsContact C-N 3.33Å; F58-D60 PolarHBondContact O-N 3.13Å; D60-I62 PolarHBondContact O-N 3.02Å; D60-L63 PolarHBondContact O-N 3.09Å; D60-R64 WeakPolarHBondContact O-CB 3.46Å; D60-R64 VanDerWaalsContact O-CG 3.27Å; D60-R64 WeakPolarHBondContact O-CG 3.36Å; D60-R64 PolarHBondContact O-N 3.37Å; D60-R64 IonicContact OD1-CZ 2.74Å; D60-R64 IonicContact OD1-NE 3.63Å; D60-R64 PolarHBondContact OD1-NE 2.96Å; D60-R64 IonicContact OD1-NH2 3.46Å; D60-R64 PolarHBondContact OD1-NH2 3.27Å; D60-R64 WeakPolarHBondContact OD2-CD 3.35Å; D60-R64 IonicContact OD2-CZ 2.89Å; D60-R64 IonicContact OD2-NE 3.86Å; D60-R64 PolarHBondContact OD2-NE 3.37Å; D60-P75 WeakPolarHBondContact OD1-CG 3.27Å |
| 61 | W | 98.7 | Very high | 98.1 | Very high | 25 Ų | 25 | 42.5 Ų | 42.5 | 10% | 0.095 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.1 | -39.2 | 177.4 | -52.8 | -14.5 | 0 | 0 | 0 | 112.4 | Q57 F58 I59 G65 T104 L108 I117 A118 | Q57-W61 HydrophobicContact CB-CZ2 3.83Å; Q57-W61 PolarHBondContact O-N 3.18Å; Q57-W61 PolarHBondContact O-NE1 2.92Å; F58-W61 AromaticContact CD2-CE3 3.95Å; F58-W61 HydrophobicContact CD2-CE3 3.95Å; F58-W61 HydrophobicContact CD2-CZ3 4.24Å; F58-W61 WeakPolarHBondContact O-CB 3.35Å; F58-W61 PolarHBondContact O-N 2.89Å; F58-W61 VanDerWaalsContact O-N 3.15Å; I59-W61 VanDerWaalsContact C-N 3.33Å; I59-W61 PolarHBondContact O-N 3.35Å; W61-G65 PolarHBondContact O-N 3.01Å; W61-T104 HydrophobicContact CB-CG2 4.44Å; W61-T104 HydrophobicContact CE3-CG2 4.31Å; W61-L108 HydrophobicContact CZ3-CD1 4.14Å; W61-L108 HydrophobicContact CZ3-CD2 3.85Å; W61-I117 HydrophobicContact CD2-CG2 4.13Å; W61-I117 HydrophobicContact CE3-CG2 3.71Å; W61-I117 HydrophobicContact CZ3-CG2 4.2Å; W61-A118 VanDerWaalsContact CD1-CA 3.42Å |
| 62 | I | 98.8 | Very high | 98.3 | Very high | 6 Ų | 6 | 35.7 Ų | 35.7 | 3% | 0.031 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.7 | -48.3 | 175.4 | -61.7 | -47.5 | 0 | 0 | 0 | 110.8 | F58 I59 D60 G65 I66 T100 V101 T104 | F58-I62 HydrophobicContact CD1-CG1 4.16Å; F58-I62 HydrophobicContact CE1-CD1 4Å; F58-I62 HydrophobicContact CE1-CG1 3.85Å; F58-I62 HydrophobicContact CE2-CD1 4.38Å; F58-I62 HydrophobicContact CZ-CD1 3.84Å; F58-I62 HydrophobicContact CZ-CG1 4.21Å; F58-I62 WeakPolarHBondContact O-CG1 3.43Å; F58-I62 PolarHBondContact O-N 2.74Å; I59-I62 PolarHBondContact O-N 2.82Å; D60-I62 PolarHBondContact O-N 3.02Å; I62-G65 CarbonylContact O-C 3.58Å; I62-G65 WeakPolarHBondContact O-CA 3.36Å; I62-G65 PolarHBondContact O-N 3.34Å; I62-G65 VanDerWaalsContact O-N 3.08Å; I62-I66 HydrophobicContact CG2-CD1 4.29Å; I62-I66 WeakPolarHBondContact O-CG1 3.36Å; I62-I66 PolarHBondContact O-N 3.19Å; I62-T100 HydrophobicContact CB-CG2 4.45Å; I62-T100 HydrophobicContact CD1-CG2 4.13Å; I62-T100 HydrophobicContact CG2-CG2 3.88Å; I62-V101 HydrophobicContact CD1-CB 4.45Å; I62-V101 HydrophobicContact CD1-CG2 4.06Å; I62-V101 HydrophobicContact CG1-CG2 4.1Å; I62-V101 HydrophobicContact CG2-CG2 4.31Å; I62-T104 HydrophobicContact CD1-CG2 3.96Å; I62-T104 WeakPolarHBondContact CD1-OG1 3.43Å |
| 63 | L | 98.9 | Very high | 98.4 | Very high | 25 Ų | 25 | 32.2 Ų | 32.2 | 13% | 0.131 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65.4 | -41.3 | -178.8 | -66.8 | 172.5 | 0 | 0 | 0 | 111.9 | I59 D60 G65 I66 S67 P75 G78 I79 | I59-L63 HydrophobicContact CG2-CD1 3.94Å; I59-L63 HydrophobicContact CG2-CG 4.37Å; I59-L63 WeakPolarHBondContact O-CG 3.12Å; I59-L63 PolarHBondContact O-N 2.64Å; D60-L63 PolarHBondContact O-N 3.09Å; L63-G65 VanDerWaalsContact C-N 3.29Å; L63-G65 PolarHBondContact O-N 2.93Å; L63-I66 PolarHBondContact O-N 3.04Å; L63-S67 PolarHBondContact O-N 3.47Å; L63-S67 VanDerWaalsContact O-N 3.12Å; L63-P75 HydrophobicContact CB-CB 3.79Å; L63-P75 HydrophobicContact CD1-CB 4.17Å; L63-G78 WeakPolarHBondContact O-CA 3.45Å; L63-I79 HydrophobicContact CD1-CD1 3.98Å; L63-I79 HydrophobicContact CD1-CG1 3.76Å; L63-I79 HydrophobicContact CD2-CG1 3.74Å; L63-I79 HydrophobicContact CG-CG1 4.34Å |
| 64 | R | 98.8 | Very high | 98.5 | Very high | 4 Ų | 4 | 28 Ų | 28 | 2% | 0.015 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -61.4 | -39.3 | 170.3 | -70.8 | 170.6 | -177.4 | -79.7 | -5.2 | 111.3 | D41 M42 D60 I66 S67 Q68 N73 P75 A118 | D41-R64 PolarHBondContact O-NH1 3.23Å; M42-R64 PolarHBondContact O-NH2 3.45Å; D60-R64 WeakPolarHBondContact O-CB 3.46Å; D60-R64 VanDerWaalsContact O-CG 3.27Å; D60-R64 WeakPolarHBondContact O-CG 3.36Å; D60-R64 PolarHBondContact O-N 3.37Å; D60-R64 IonicContact OD1-CZ 2.74Å; D60-R64 IonicContact OD1-NE 3.63Å; D60-R64 PolarHBondContact OD1-NE 2.96Å; D60-R64 IonicContact OD1-NH2 3.46Å; D60-R64 PolarHBondContact OD1-NH2 3.27Å; D60-R64 WeakPolarHBondContact OD2-CD 3.35Å; D60-R64 IonicContact OD2-CZ 2.89Å; D60-R64 IonicContact OD2-NE 3.86Å; D60-R64 PolarHBondContact OD2-NE 3.37Å; R64-I66 VanDerWaalsContact C-N 3.34Å; R64-I66 PolarHBondContact O-N 3.42Å; R64-S67 PolarHBondContact O-N 3.27Å; R64-S67 PolarHBondContact O-OG 3.39Å; R64-Q68 WeakPolarHBondContact O-CB 3.3Å; R64-Q68 WeakPolarHBondContact O-CG 3.38Å; R64-Q68 PolarHBondContact O-N 3.44Å; R64-N73 VanDerWaalsContact CD-OD1 3.26Å; R64-N73 WeakPolarHBondContact CD-OD1 3.46Å; R64-N73 WeakPolarHBondContact CG-OD1 3.49Å; R64-N73 PolarHBondContact NH1-O 2.96Å; R64-N73 PolarHBondContact NH1-OD1 3.37Å; R64-P75 HydrophobicContact CG-CB 4.39Å; R64-A118 WeakPolarHBondContact CD-O 3.3Å |
| 65 | G | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -58.9 | -43.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | W61 I62 L63 S67 Q68 G120 Y124 | W61-G65 PolarHBondContact O-N 3.01Å; I62-G65 CarbonylContact O-C 3.58Å; I62-G65 WeakPolarHBondContact O-CA 3.36Å; I62-G65 PolarHBondContact O-N 3.34Å; I62-G65 VanDerWaalsContact O-N 3.08Å; L63-G65 VanDerWaalsContact C-N 3.29Å; L63-G65 PolarHBondContact O-N 2.93Å; G65-S67 PolarHBondContact O-N 3.47Å; G65-Q68 PolarHBondContact O-N 3.29Å; G65-G120 WeakPolarHBondContact CA-O 3.3Å; G65-Y124 WeakPolarHBondContact O-CA 3.48Å; G65-Y124 WeakPolarHBondContact O-CB 3.47Å; G65-Y124 PolarHBondContact O-N 3.43Å |
| 66 | I | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 21.2 Ų | 21.2 | 1% | 0.005 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -63.1 | -43.3 | 176.5 | -67.2 | 166.9 | 0 | 0 | 0 | 110.9 | I62 L63 R64 Q68 I81 L82 T100 T127 Y234 | I62-I66 HydrophobicContact CG2-CD1 4.29Å; I62-I66 WeakPolarHBondContact O-CG1 3.36Å; I62-I66 PolarHBondContact O-N 3.19Å; L63-I66 PolarHBondContact O-N 3.04Å; R64-I66 VanDerWaalsContact C-N 3.34Å; R64-I66 PolarHBondContact O-N 3.42Å; I66-Q68 VanDerWaalsContact C-N 3.35Å; I66-Q68 PolarHBondContact O-N 3.36Å; I66-I81 HydrophobicContact CG2-CB 3.99Å; I66-I81 HydrophobicContact CG2-CG2 3.52Å; I66-L82 HydrophobicContact CD1-CD1 4.33Å; I66-T100 HydrophobicContact CG1-CG2 4.3Å; I66-T127 HydrophobicContact CG1-CG2 4.14Å; I66-Y234 PolarHBondContact O-OH 3.1Å |
| 67 | S | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -72.6 | -25.1 | -179.5 | 66.8 | 0 | 0 | 0 | 0 | 114 | L63 R64 G65 V69 V70 V72 N74 | L63-S67 PolarHBondContact O-N 3.47Å; L63-S67 VanDerWaalsContact O-N 3.12Å; R64-S67 PolarHBondContact O-N 3.27Å; R64-S67 PolarHBondContact O-OG 3.39Å; G65-S67 PolarHBondContact O-N 3.47Å; S67-V69 PolarHBondContact O-N 3.2Å; S67-V70 WeakPolarHBondContact O-CG2 3.35Å; S67-V70 PolarHBondContact O-N 3.03Å; S67-V72 CarbonylContact C-O 3.37Å; S67-V72 VanDerWaalsContact CB-O 3.31Å; S67-V72 WeakPolarHBondContact CB-O 3.43Å; S67-V72 PolarHBondContact O-N 3.03Å; S67-V72 PolarHBondContact OG-O 3.39Å; S67-N74 PolarHBondContact OG-N 2.92Å; S67-N74 PolarHBondContact OG-O 3.08Å |
| 68 | Q | 98.8 | Very high | 98.7 | Very high | 19 Ų | 19 | 15.1 Ų | 15.1 | 9% | 0.089 | 8% | 0.076 | C | C | . | . | G | 310 helix | trans | -68.1 | -14.9 | -177.7 | -82.7 | -73.9 | 20.2 | 0 | 0 | 114 | R64 G65 I66 V70 F71 V72 S119 L121 Y124 | R64-Q68 WeakPolarHBondContact O-CB 3.3Å; R64-Q68 WeakPolarHBondContact O-CG 3.38Å; R64-Q68 PolarHBondContact O-N 3.44Å; G65-Q68 PolarHBondContact O-N 3.29Å; I66-Q68 VanDerWaalsContact C-N 3.35Å; I66-Q68 PolarHBondContact O-N 3.36Å; Q68-V70 PolarHBondContact O-N 3.26Å; Q68-F71 WeakPolarHBondContact O-CA 3.43Å; Q68-F71 PolarHBondContact O-N 2.61Å; Q68-V72 VanDerWaalsContact CA-O 3.32Å; Q68-V72 WeakPolarHBondContact CA-O 3.37Å; Q68-V72 WeakPolarHBondContact CG-O 3.26Å; Q68-V72 PolarHBondContact N-O 3.21Å; Q68-S119 VanDerWaalsContact CG-O 3.28Å; Q68-S119 WeakPolarHBondContact CG-O 3.22Å; Q68-S119 PolarHBondContact NE2-O 2.96Å; Q68-L121 HydrophobicContact CG-CD2 4.43Å; Q68-Y124 HydrophobicContact CB-CD1 3.87Å; Q68-Y124 HydrophobicContact CB-CG 4.01Å |
| 69 | V | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 17 Ų | 17 | 1% | 0.006 | 9% | 0.088 | C | C | . | . | G | 310 helix | trans | -56 | -34.2 | 171.4 | 168.3 | 0 | 0 | 0 | 0 | 111.1 | S67 Y124 L128 I233 Y234 | S67-V69 PolarHBondContact O-N 3.2Å; V69-Y124 WeakPolarHBondContact CG2-O 3.47Å; V69-L128 HydrophobicContact CG1-CD1 4.07Å; V69-L128 HydrophobicContact CG1-CD2 3.73Å; V69-L128 HydrophobicContact CG1-CG 4.01Å; V69-L128 HydrophobicContact CG2-CD1 4.39Å; V69-L128 HydrophobicContact CG2-CD2 4.29Å; V69-L128 HydrophobicContact CG2-CG 3.92Å; V69-I233 HydrophobicContact CG1-CG2 3.68Å; V69-Y234 HydrophobicContact CB-CE1 3.69Å; V69-Y234 HydrophobicContact CB-CE2 4.26Å; V69-Y234 VanDerWaalsContact CB-CZ 3.49Å; V69-Y234 WeakPolarHBondContact CB-OH 3.45Å; V69-Y234 HydrophobicContact CG1-CD1 4.21Å; V69-Y234 HydrophobicContact CG1-CD2 4.32Å; V69-Y234 HydrophobicContact CG1-CE1 3.71Å; V69-Y234 HydrophobicContact CG1-CE2 3.83Å; V69-Y234 HydrophobicContact CG2-CD1 4.46Å; V69-Y234 HydrophobicContact CG2-CE1 3.63Å |
| 70 | V | 98.8 | Very high | 98.8 | Very high | 2 Ų | 2 | 16 Ų | 16 | 1% | 0.012 | 8% | 0.083 | C | C | . | . | G | 310 helix | trans | -104.3 | 25.1 | 175.2 | -66.7 | 0 | 0 | 0 | 0 | 112.4 | S67 Q68 V72 I81 I233 Y234 I249 M256 L292 | S67-V70 WeakPolarHBondContact O-CG2 3.35Å; S67-V70 PolarHBondContact O-N 3.03Å; Q68-V70 PolarHBondContact O-N 3.26Å; V70-V72 HydrophobicContact CG2-CB 4.26Å; V70-V72 HydrophobicContact CG2-CG2 4.01Å; V70-V72 PolarHBondContact O-N 3.06Å; V70-I81 HydrophobicContact CG2-CD1 4.2Å; V70-I233 HydrophobicContact CG1-CD1 4.02Å; V70-I233 HydrophobicContact CG1-CG2 3.87Å; V70-Y234 HydrophobicContact CG1-CE2 4.04Å; V70-I249 HydrophobicContact CB-CD1 4.12Å; V70-I249 HydrophobicContact CB-CG1 4.26Å; V70-I249 HydrophobicContact CG1-CD1 4.21Å; V70-I249 HydrophobicContact CG2-CD1 4.2Å; V70-I249 HydrophobicContact CG2-CG1 3.84Å; V70-M256 WeakPolarHBondContact O-CE 3.43Å; V70-L292 HydrophobicContact CG1-CD2 4.49Å |
| 71 | F | 98.8 | Very high | 98.8 | Very high | 13 Ų | 13 | 15.5 Ų | 15.5 | 6% | 0.057 | 8% | 0.08 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.2 | 14.9 | -178.5 | -38.2 | -70.5 | 0 | 0 | 0 | 115.4 | Q68 F176 M256 L292 I295 A296 M300 F301 F342 | Q68-F71 WeakPolarHBondContact O-CA 3.43Å; Q68-F71 PolarHBondContact O-N 2.61Å; F71-F176 AromaticContact CE1-CD1 3.82Å; F71-F176 HydrophobicContact CE1-CD1 3.82Å; F71-F176 HydrophobicContact CE1-CE1 4.07Å; F71-F176 HydrophobicContact CZ-CD1 4.42Å; F71-M256 HydrophobicContact CB-CE 3.93Å; F71-L292 HydrophobicContact CE2-CD2 3.93Å; F71-L292 HydrophobicContact CZ-CD2 4.12Å; F71-I295 HydrophobicContact CD2-CB 4.16Å; F71-I295 HydrophobicContact CD2-CG2 3.69Å; F71-I295 HydrophobicContact CE2-CB 4.22Å; F71-I295 HydrophobicContact CE2-CG2 4.26Å; F71-A296 HydrophobicContact CE2-CB 4.05Å; F71-A296 HydrophobicContact CZ-CB 4.14Å; F71-M300 HydrophobicContact CB-CE 3.99Å; F71-M300 HydrophobicContact CB-CG 4.21Å; F71-M300 HydrophobicContact CB-SD 4.45Å; F71-M300 WeakPolarHBondContact O-CE 3.43Å; F71-F301 AromaticContact CD1-CE2 3.91Å; F71-F301 HydrophobicContact CD1-CE2 3.91Å; F71-F301 HydrophobicContact CD1-CZ 4.21Å; F71-F301 HydrophobicContact CE1-CE2 4.19Å; F71-F301 HydrophobicContact CG-CE2 4.3Å; F71-F342 AromaticContact CE1-CZ 3.96Å; F71-F342 HydrophobicContact CE1-CZ 3.96Å; F71-F342 HydrophobicContact CZ-CE1 4.22Å; F71-F342 AromaticContact CZ-CE2 3.84Å; F71-F342 HydrophobicContact CZ-CE2 3.84Å; F71-F342 AromaticContact CZ-CZ 3.4Å; F71-F342 HydrophobicContact CZ-CZ 3.4Å |
| 72 | V | 98.8 | Very high | 98.8 | Very high | 1 Ų | 1 | 16.2 Ų | 16.2 | 1% | 0.006 | 9% | 0.085 | C | C | . | . | trans | -91.2 | 129.2 | 179.8 | 170.8 | 0 | 0 | 0 | 0 | 109.5 | S67 Q68 V70 N74 I249 M256 | S67-V72 CarbonylContact C-O 3.37Å; S67-V72 VanDerWaalsContact CB-O 3.31Å; S67-V72 WeakPolarHBondContact CB-O 3.43Å; S67-V72 PolarHBondContact O-N 3.03Å; S67-V72 PolarHBondContact OG-O 3.39Å; Q68-V72 VanDerWaalsContact CA-O 3.32Å; Q68-V72 WeakPolarHBondContact CA-O 3.37Å; Q68-V72 WeakPolarHBondContact CG-O 3.26Å; Q68-V72 PolarHBondContact N-O 3.21Å; V70-V72 HydrophobicContact CG2-CB 4.26Å; V70-V72 HydrophobicContact CG2-CG2 4.01Å; V70-V72 PolarHBondContact O-N 3.06Å; V72-N74 HydrophobicContact CG1-CB 3.52Å; V72-I249 HydrophobicContact CG2-CG1 4.5Å; V72-M256 HydrophobicContact CG2-CE 3.64Å; V72-M256 HydrophobicContact CG2-SD 4.26Å | ||
| 73 | N | 98.6 | Very high | 98.8 | Very high | 32 Ų | 32 | 19 Ų | 19 | 17% | 0.171 | 10% | 0.103 | C | C | . | . | trans | -104.4 | 64 | 174.4 | -175.5 | 11 | 0 | 0 | 0 | 110.7 | D41 R64 S119 | D41-N73 CarbonylContact C-O 3.58Å; D41-N73 WeakPolarHBondContact CA-O 3.46Å; D41-N73 HydrophobicContact CB-CB 4.08Å; D41-N73 VanDerWaalsContact O-O 3.07Å; R64-N73 VanDerWaalsContact CD-OD1 3.26Å; R64-N73 WeakPolarHBondContact CD-OD1 3.46Å; R64-N73 WeakPolarHBondContact CG-OD1 3.49Å; R64-N73 PolarHBondContact NH1-O 2.96Å; R64-N73 PolarHBondContact NH1-OD1 3.37Å; N73-S119 PolarHBondContact OD1-O 3.45Å | ||
| 74 | N | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 10% | 0.097 | C | C | . | . | trans | -142.4 | 116.9 | -171.9 | -175.7 | -46.9 | 0 | 0 | 0 | 110.9 | V38 G40 M42 S67 V72 V76 S77 G78 | V38-N74 PolarHBondContact O-ND2 2.82Å; G40-N74 PolarHBondContact O-ND2 3.29Å; M42-N74 PolarHBondContact SD-OD1 3.32Å; S67-N74 PolarHBondContact OG-N 2.92Å; S67-N74 PolarHBondContact OG-O 3.08Å; V72-N74 HydrophobicContact CG1-CB 3.52Å; N74-V76 VanDerWaalsContact C-N 3.31Å; N74-V76 PolarHBondContact O-N 2.99Å; N74-V76 WeakPolarHBondContact OD1-CA 3.4Å; N74-V76 WeakPolarHBondContact OD1-CB 3.4Å; N74-V76 PolarHBondContact OD1-N 3.27Å; N74-S77 WeakPolarHBondContact O-CB 3.2Å; N74-S77 PolarHBondContact O-N 3.44Å; N74-S77 PolarHBondContact OD1-N 3.17Å; N74-G78 PolarHBondContact O-N 3.46Å | ||
| 75 | P | 98.6 | Very high | 98.8 | Very high | 6 Ų | 6 | 17.7 Ų | 17.7 | 4% | 0.039 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -66.9 | -29.3 | -176.8 | 28.2 | -36.8 | 0 | 0 | 0 | 113.2 | M42 L45 D60 L63 R64 G78 I79 | M42-P75 HydrophobicContact SD-CG 3.91Å; L45-P75 HydrophobicContact CD2-CG 3.82Å; D60-P75 WeakPolarHBondContact OD1-CG 3.27Å; L63-P75 HydrophobicContact CB-CB 3.79Å; L63-P75 HydrophobicContact CD1-CB 4.17Å; R64-P75 HydrophobicContact CG-CB 4.39Å; P75-G78 PolarHBondContact O-N 3.42Å; P75-I79 WeakPolarHBondContact O-CG1 3.5Å; P75-I79 PolarHBondContact O-N 3.42Å |
| 76 | V | 98.6 | Very high | 98.8 | Very high | 46 Ų | 46 | 21.9 Ų | 21.9 | 28% | 0.279 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -71.1 | -41.8 | 176.6 | -176.7 | 0 | 0 | 0 | 0 | 110.3 | V38 M42 N74 G78 I79 L80 L251 | V38-V76 HydrophobicContact CG1-CG2 4.38Å; M42-V76 HydrophobicContact CE-CG2 3.93Å; M42-V76 HydrophobicContact SD-CB 4.34Å; M42-V76 HydrophobicContact SD-CG2 3.73Å; N74-V76 VanDerWaalsContact C-N 3.31Å; N74-V76 PolarHBondContact O-N 2.99Å; N74-V76 WeakPolarHBondContact OD1-CA 3.4Å; N74-V76 WeakPolarHBondContact OD1-CB 3.4Å; N74-V76 PolarHBondContact OD1-N 3.27Å; V76-G78 PolarHBondContact O-N 3.21Å; V76-I79 PolarHBondContact O-N 2.96Å; V76-L80 WeakPolarHBondContact O-CG 3.43Å; V76-L80 PolarHBondContact O-N 2.94Å; V76-L251 HydrophobicContact CB-CD2 3.97Å; V76-L251 HydrophobicContact CG1-CD2 3.51Å |
| 77 | S | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -58.7 | -39.8 | 169.2 | -59.3 | 0 | 0 | 0 | 0 | 111.2 | N74 I79 L80 I81 A248 | N74-S77 WeakPolarHBondContact O-CB 3.2Å; N74-S77 PolarHBondContact O-N 3.44Å; N74-S77 PolarHBondContact OD1-N 3.17Å; S77-I79 PolarHBondContact O-N 3.26Å; S77-L80 PolarHBondContact O-N 2.91Å; S77-I81 WeakPolarHBondContact O-CB 3.48Å; S77-I81 WeakPolarHBondContact O-CD1 3.49Å; S77-I81 VanDerWaalsContact O-CG1 3.29Å; S77-I81 WeakPolarHBondContact O-CG1 3.12Å; S77-I81 PolarHBondContact O-N 3.46Å; S77-A248 WeakPolarHBondContact CB-O 3.37Å; S77-A248 PolarHBondContact OG-O 2.93Å |
| 78 | G | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -58.6 | -42.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | L63 N74 P75 V76 I81 L82 | L63-G78 WeakPolarHBondContact O-CA 3.45Å; N74-G78 PolarHBondContact O-N 3.46Å; P75-G78 PolarHBondContact O-N 3.42Å; V76-G78 PolarHBondContact O-N 3.21Å; G78-I81 PolarHBondContact O-N 3.34Å; G78-L82 WeakPolarHBondContact O-CB 3.36Å; G78-L82 PolarHBondContact O-N 3.02Å |
| 79 | I | 98.8 | Very high | 98.8 | Very high | 82 Ų | 82 | 26.6 Ų | 26.6 | 42% | 0.421 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -62.7 | -47.1 | 173.9 | -67.8 | 167 | 0 | 0 | 0 | 110.8 | L63 P75 V76 S77 I81 L82 V83 | L63-I79 HydrophobicContact CD1-CD1 3.98Å; L63-I79 HydrophobicContact CD1-CG1 3.76Å; L63-I79 HydrophobicContact CD2-CG1 3.74Å; L63-I79 HydrophobicContact CG-CG1 4.34Å; P75-I79 WeakPolarHBondContact O-CG1 3.5Å; P75-I79 PolarHBondContact O-N 3.42Å; V76-I79 PolarHBondContact O-N 2.96Å; S77-I79 PolarHBondContact O-N 3.26Å; I79-I81 VanDerWaalsContact C-N 3.31Å; I79-I81 PolarHBondContact O-N 3.1Å; I79-L82 WeakPolarHBondContact O-CB 3.39Å; I79-L82 PolarHBondContact O-N 2.86Å; I79-L82 VanDerWaalsContact O-N 3.14Å; I79-V83 WeakPolarHBondContact O-CG2 3.44Å; I79-V83 PolarHBondContact O-N 2.9Å |
| 80 | L | 98.8 | Very high | 98.8 | Very high | 61 Ų | 61 | 29.5 Ų | 29.5 | 32% | 0.319 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -61.5 | -40.6 | 179.1 | -68.7 | 175.5 | 0 | 0 | 0 | 111.7 | V76 S77 V83 G84 I244 A248 L251 | V76-L80 WeakPolarHBondContact O-CG 3.43Å; V76-L80 PolarHBondContact O-N 2.94Å; S77-L80 PolarHBondContact O-N 2.91Å; L80-V83 WeakPolarHBondContact O-CB 3.49Å; L80-V83 PolarHBondContact O-N 3.39Å; L80-G84 PolarHBondContact O-N 2.88Å; L80-I244 WeakPolarHBondContact O-CG2 3.29Å; L80-A248 HydrophobicContact CB-CB 3.71Å; L80-A248 HydrophobicContact CD1-CB 4.22Å; L80-L251 HydrophobicContact CD1-CD2 3.94Å |
| 81 | I | 98.9 | Very high | 98.8 | Very high | 2 Ų | 2 | 29.4 Ų | 29.4 | 1% | 0.01 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.9 | -42.6 | 174 | -70.1 | 158.1 | 0 | 0 | 0 | 110.6 | I66 V70 S77 G78 I79 V83 G84 L85 Y234 F245 A248 | I66-I81 HydrophobicContact CG2-CB 3.99Å; I66-I81 HydrophobicContact CG2-CG2 3.52Å; V70-I81 HydrophobicContact CG2-CD1 4.2Å; S77-I81 WeakPolarHBondContact O-CB 3.48Å; S77-I81 WeakPolarHBondContact O-CD1 3.49Å; S77-I81 VanDerWaalsContact O-CG1 3.29Å; S77-I81 WeakPolarHBondContact O-CG1 3.12Å; S77-I81 PolarHBondContact O-N 3.46Å; G78-I81 PolarHBondContact O-N 3.34Å; I79-I81 VanDerWaalsContact C-N 3.31Å; I79-I81 PolarHBondContact O-N 3.1Å; I81-V83 VanDerWaalsContact C-N 3.3Å; I81-V83 PolarHBondContact O-N 3.28Å; I81-G84 PolarHBondContact O-N 3.42Å; I81-G84 VanDerWaalsContact O-N 3.1Å; I81-L85 HydrophobicContact CG2-CD1 4.4Å; I81-L85 WeakPolarHBondContact O-CG 3.36Å; I81-L85 PolarHBondContact O-N 3.44Å; I81-Y234 HydrophobicContact CG2-CD1 4.47Å; I81-Y234 HydrophobicContact CG2-CE1 3.79Å; I81-Y234 HydrophobicContact CG2-CE2 4.05Å; I81-F245 HydrophobicContact CB-CD1 4.28Å; I81-F245 HydrophobicContact CB-CE1 4.24Å; I81-F245 HydrophobicContact CG1-CD1 4.01Å; I81-F245 HydrophobicContact CG1-CE1 4.46Å; I81-F245 HydrophobicContact CG2-CD1 4.25Å; I81-F245 HydrophobicContact CG2-CE1 3.86Å; I81-F245 HydrophobicContact CG2-CZ 4.36Å; I81-F245 WeakPolarHBondContact O-CE1 3.48Å; I81-A248 HydrophobicContact CD1-CB 4.15Å; I81-A248 HydrophobicContact CG1-CB 3.75Å |
| 82 | L | 98.9 | Very high | 98.8 | Very high | 39 Ų | 39 | 30.1 Ų | 30.1 | 20% | 0.204 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.5 | -37.7 | 175.7 | -169.8 | 62.3 | 0 | 0 | 0 | 112 | I66 G78 I79 L85 L86 A93 W97 | I66-L82 HydrophobicContact CD1-CD1 4.33Å; G78-L82 WeakPolarHBondContact O-CB 3.36Å; G78-L82 PolarHBondContact O-N 3.02Å; I79-L82 WeakPolarHBondContact O-CB 3.39Å; I79-L82 PolarHBondContact O-N 2.86Å; I79-L82 VanDerWaalsContact O-N 3.14Å; L82-L85 HydrophobicContact CD1-CD1 4.43Å; L82-L85 PolarHBondContact O-N 2.89Å; L82-L86 WeakPolarHBondContact O-CG 3.49Å; L82-L86 PolarHBondContact O-N 3.47Å; L82-A93 HydrophobicContact CD1-CB 4.32Å; L82-W97 HydrophobicContact CD1-CB 4.48Å |
| 83 | V | 98.9 | Very high | 98.8 | Very high | 66 Ų | 66 | 30.2 Ų | 30.2 | 40% | 0.4 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -62.3 | -43.8 | 171.1 | 171.9 | 0 | 0 | 0 | 0 | 111.1 | I79 L80 I81 L85 L86 V87 | I79-V83 WeakPolarHBondContact O-CG2 3.44Å; I79-V83 PolarHBondContact O-N 2.9Å; L80-V83 WeakPolarHBondContact O-CB 3.49Å; L80-V83 PolarHBondContact O-N 3.39Å; I81-V83 VanDerWaalsContact C-N 3.3Å; I81-V83 PolarHBondContact O-N 3.28Å; V83-L85 VanDerWaalsContact C-N 3.33Å; V83-L85 PolarHBondContact O-N 3.25Å; V83-L86 WeakPolarHBondContact O-CB 2.97Å; V83-L86 PolarHBondContact O-N 3.19Å; V83-V87 HydrophobicContact CG1-CG2 4.47Å; V83-V87 WeakPolarHBondContact O-CG2 3.31Å; V83-V87 PolarHBondContact O-N 2.96Å |
| 84 | G | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61.3 | -39.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | L80 I81 V87 Q88 T241 | L80-G84 PolarHBondContact O-N 2.88Å; I81-G84 PolarHBondContact O-N 3.42Å; I81-G84 VanDerWaalsContact O-N 3.1Å; G84-V87 PolarHBondContact O-N 2.91Å; G84-Q88 PolarHBondContact O-N 3.4Å; G84-T241 WeakPolarHBondContact O-CG2 3.48Å; G84-T241 PolarHBondContact O-OG1 3.22Å |
| 85 | L | 98.8 | Very high | 98.8 | Very high | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63.8 | -40.2 | 173 | -70.8 | 172.1 | 0 | 0 | 0 | 111.7 | I81 L82 V83 V87 Q88 N89 A93 V131 Y234 F245 | I81-L85 HydrophobicContact CG2-CD1 4.4Å; I81-L85 WeakPolarHBondContact O-CG 3.36Å; I81-L85 PolarHBondContact O-N 3.44Å; L82-L85 HydrophobicContact CD1-CD1 4.43Å; L82-L85 PolarHBondContact O-N 2.89Å; V83-L85 VanDerWaalsContact C-N 3.33Å; V83-L85 PolarHBondContact O-N 3.25Å; L85-V87 VanDerWaalsContact C-N 3.34Å; L85-Q88 WeakPolarHBondContact O-CB 3.48Å; L85-Q88 PolarHBondContact O-N 3.02Å; L85-N89 CarbonylContact O-C 3.58Å; L85-N89 PolarHBondContact O-N 3.14Å; L85-N89 VanDerWaalsContact O-O 3.07Å; L85-A93 HydrophobicContact CB-CB 3.79Å; L85-V131 HydrophobicContact CD1-CG2 4.5Å; L85-V131 HydrophobicContact CD2-CG2 4.29Å; L85-Y234 HydrophobicContact CD2-CD1 4.41Å; L85-Y234 HydrophobicContact CD2-CG 4.44Å; L85-F245 HydrophobicContact CD2-CZ 4.1Å; L85-F245 HydrophobicContact CG-CZ 4.17Å |
| 86 | L | 98.8 | Very high | 98.8 | Very high | 87 Ų | 87 | 31.3 Ų | 31.3 | 46% | 0.455 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -65.2 | -37.1 | 174.8 | -72.4 | 165.9 | 0 | 0 | 0 | 112.3 | L82 V83 Q88 P90 A93 | L82-L86 WeakPolarHBondContact O-CG 3.49Å; L82-L86 PolarHBondContact O-N 3.47Å; V83-L86 WeakPolarHBondContact O-CB 2.97Å; V83-L86 PolarHBondContact O-N 3.19Å; L86-Q88 VanDerWaalsContact C-N 3.32Å; L86-P90 HydrophobicContact CD2-CB 4.18Å; L86-A93 HydrophobicContact CD2-CB 3.74Å; L86-A93 HydrophobicContact CG-CB 3.92Å |
| 87 | V | 98.8 | Very high | 98.8 | Very high | 68 Ų | 68 | 34.4 Ų | 34.4 | 41% | 0.412 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -66.7 | -34.3 | 174.1 | 169.3 | 0 | 0 | 0 | 0 | 111.5 | V83 G84 L85 W240 I244 | V83-V87 HydrophobicContact CG1-CG2 4.47Å; V83-V87 WeakPolarHBondContact O-CG2 3.31Å; V83-V87 PolarHBondContact O-N 2.96Å; G84-V87 PolarHBondContact O-N 2.91Å; L85-V87 VanDerWaalsContact C-N 3.34Å; V87-W240 HydrophobicContact CG1-CB 4.46Å; V87-I244 HydrophobicContact CG2-CD1 4.11Å |
| 88 | Q | 98.8 | Very high | 98.8 | Very high | 33 Ų | 33 | 36 Ų | 36 | 15% | 0.154 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -70.3 | -63.5 | 173.7 | 173 | 67.6 | 43 | 0 | 0 | 110.6 | G84 L85 L86 W92 C236 D237 T241 | G84-Q88 PolarHBondContact O-N 3.4Å; L85-Q88 WeakPolarHBondContact O-CB 3.48Å; L85-Q88 PolarHBondContact O-N 3.02Å; L86-Q88 VanDerWaalsContact C-N 3.32Å; Q88-W92 HydrophobicContact CG-CE3 3.51Å; Q88-W92 HydrophobicContact CG-CH2 4.4Å; Q88-W92 HydrophobicContact CG-CZ3 3.43Å; Q88-W92 VanDerWaalsContact CG-CZ3 3.43Å; Q88-W92 VanDerWaalsContact NE2-CZ3 3.31Å; Q88-C236 HydrophobicContact CB-CB 4.19Å; Q88-C236 HydrophobicContact CG-CB 3.84Å; Q88-D237 PolarHBondContact NE2-OD1 2.96Å; Q88-D237 PolarHBondContact OE1-OD1 3.29Å; Q88-T241 HydrophobicContact CB-CG2 4.18Å; Q88-T241 PolarHBondContact N-OG1 3.26Å |
| 89 | N | 98.8 | Very high | 98.8 | Very high | 18 Ų | 18 | 36 Ų | 36 | 10% | 0.096 | 19% | 0.187 | C | C | . | . | trans | -163.9 | 117.1 | -177.7 | -168.5 | -39.9 | 0 | 0 | 0 | 110.4 | L85 W91 W92 A93 D141 | L85-N89 CarbonylContact O-C 3.58Å; L85-N89 PolarHBondContact O-N 3.14Å; L85-N89 VanDerWaalsContact O-O 3.07Å; N89-W91 PolarHBondContact O-N 2.63Å; N89-W91 VanDerWaalsContact OD1-CB 3.25Å; N89-W91 WeakPolarHBondContact OD1-CB 3.31Å; N89-W91 PolarHBondContact OD1-N 2.97Å; N89-W92 HydrophobicContact CB-CB 4.15Å; N89-W92 HydrophobicContact CB-CD2 3.63Å; N89-W92 HydrophobicContact CB-CE3 4.09Å; N89-W92 HydrophobicContact CB-CG 3.68Å; N89-W92 PolarHBondContact ND2-NE1 3.36Å; N89-W92 PolarHBondContact O-N 3.18Å; N89-W92 VanDerWaalsContact O-N 3.07Å; N89-A93 PolarHBondContact O-N 3.26Å; N89-A93 VanDerWaalsContact O-N 3.07Å; N89-D141 VanDerWaalsContact ND2-CG 3.27Å; N89-D141 PolarHBondContact ND2-OD1 3.07Å; N89-D141 VanDerWaalsContact ND2-OD1 3.1Å; N89-D141 PolarHBondContact ND2-OD2 2.85Å | ||
| 90 | P | 98.8 | Very high | 98.8 | Very high | 63 Ų | 63 | 32 Ų | 32 | 41% | 0.409 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -59.4 | -29.3 | 178.6 | -25.3 | 34.7 | 0 | 0 | 0 | 114.9 | L86 L94 | L86-P90 HydrophobicContact CD2-CB 4.18Å; P90-L94 WeakPolarHBondContact O-CB 3.36Å; P90-L94 PolarHBondContact O-N 2.89Å |
| 91 | W | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -65.1 | -42.8 | 175.1 | 175.6 | -123.7 | 0 | 0 | 0 | 111.4 | N89 L94 T95 D141 Y142 F143 W144 L146 L147 | N89-W91 PolarHBondContact O-N 2.63Å; N89-W91 VanDerWaalsContact OD1-CB 3.25Å; N89-W91 WeakPolarHBondContact OD1-CB 3.31Å; N89-W91 PolarHBondContact OD1-N 2.97Å; W91-L94 HydrophobicContact CE3-CD2 3.96Å; W91-L94 HydrophobicContact CZ3-CD2 3.84Å; W91-L94 WeakPolarHBondContact O-CB 3.4Å; W91-L94 PolarHBondContact O-N 3.46Å; W91-T95 HydrophobicContact CD2-CG2 4.15Å; W91-T95 HydrophobicContact CE3-CG2 4.41Å; W91-T95 HydrophobicContact CH2-CG2 4.11Å; W91-T95 HydrophobicContact CZ2-CG2 3.84Å; W91-T95 HydrophobicContact CZ3-CG2 4.39Å; W91-T95 PolarHBondContact O-N 3.12Å; W91-T95 PolarHBondContact O-OG1 2.82Å; W91-D141 HydrophobicContact CB-CB 4.26Å; W91-D141 HydrophobicContact CG-CB 4.29Å; W91-Y142 HydrophobicContact CB-CD1 4.5Å; W91-Y142 HydrophobicContact CB-CE1 4.26Å; W91-Y142 HydrophobicContact CB-CE2 4.49Å; W91-Y142 HydrophobicContact CD2-CD1 4.35Å; W91-Y142 AromaticContact CE3-CD1 3.74Å; W91-Y142 HydrophobicContact CE3-CD1 3.74Å; W91-Y142 HydrophobicContact CE3-CE1 4.25Å; W91-Y142 HydrophobicContact CE3-CG 4.36Å; W91-Y142 HydrophobicContact CZ3-CD1 4.38Å; W91-F143 WeakPolarHBondContact CZ2-O 3.48Å; W91-W144 HydrophobicContact CH2-CE3 4.2Å; W91-W144 HydrophobicContact CZ3-CD2 4.37Å; W91-W144 AromaticContact CZ3-CE3 3.88Å; W91-W144 HydrophobicContact CZ3-CE3 3.88Å; W91-W144 HydrophobicContact CZ3-CH2 4.26Å; W91-W144 AromaticContact CZ3-CZ3 3.83Å; W91-W144 HydrophobicContact CZ3-CZ3 3.83Å; W91-L146 HydrophobicContact CZ2-CB 4.18Å; W91-L146 HydrophobicContact CZ2-CD2 4.2Å; W91-L147 HydrophobicContact CH2-CD2 3.62Å; W91-L147 HydrophobicContact CH2-CG 4.07Å; W91-L147 HydrophobicContact CZ2-CD2 4.43Å; W91-L147 HydrophobicContact CZ3-CD2 4.07Å |
| 92 | W | 98.8 | Very high | 98.8 | Very high | 28 Ų | 28 | 31.1 Ų | 31.1 | 11% | 0.106 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -70.4 | -37.5 | 179.2 | -56.7 | 2.1 | 0 | 0 | 0 | 111.1 | Q88 N89 L94 T95 G96 V131 A134 V135 D141 G235 | Q88-W92 HydrophobicContact CG-CE3 3.51Å; Q88-W92 HydrophobicContact CG-CH2 4.4Å; Q88-W92 HydrophobicContact CG-CZ3 3.43Å; Q88-W92 VanDerWaalsContact CG-CZ3 3.43Å; Q88-W92 VanDerWaalsContact NE2-CZ3 3.31Å; N89-W92 HydrophobicContact CB-CB 4.15Å; N89-W92 HydrophobicContact CB-CD2 3.63Å; N89-W92 HydrophobicContact CB-CE3 4.09Å; N89-W92 HydrophobicContact CB-CG 3.68Å; N89-W92 PolarHBondContact ND2-NE1 3.36Å; N89-W92 PolarHBondContact O-N 3.18Å; N89-W92 VanDerWaalsContact O-N 3.07Å; W92-L94 VanDerWaalsContact C-N 3.31Å; W92-L94 PolarHBondContact O-N 3.17Å; W92-T95 PolarHBondContact O-N 3.41Å; W92-T95 PolarHBondContact O-OG1 2.89Å; W92-G96 PolarHBondContact O-N 3.18Å; W92-V131 HydrophobicContact CB-CG1 4.26Å; W92-A134 HydrophobicContact CG-CB 4.35Å; W92-V135 HydrophobicContact CD2-CG2 3.8Å; W92-V135 HydrophobicContact CE3-CG2 3.69Å; W92-V135 HydrophobicContact CH2-CG2 3.94Å; W92-V135 HydrophobicContact CZ2-CG2 4.04Å; W92-V135 HydrophobicContact CZ3-CG2 3.76Å; W92-D141 PolarHBondContact NE1-OD1 2.92Å; W92-G235 VanDerWaalsContact CZ3-O 3.27Å; W92-G235 WeakPolarHBondContact CZ3-O 3.18Å |
| 93 | A | 98.9 | Very high | 98.8 | Very high | 2 Ų | 2 | 29.3 Ų | 29.3 | 2% | 0.017 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -59.2 | -43.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | L82 L85 L86 N89 W97 | L82-A93 HydrophobicContact CD1-CB 4.32Å; L85-A93 HydrophobicContact CB-CB 3.79Å; L86-A93 HydrophobicContact CD2-CB 3.74Å; L86-A93 HydrophobicContact CG-CB 3.92Å; N89-A93 PolarHBondContact O-N 3.26Å; N89-A93 VanDerWaalsContact O-N 3.07Å; A93-W97 VanDerWaalsContact O-CB 3.22Å; A93-W97 WeakPolarHBondContact O-CB 3.46Å; A93-W97 PolarHBondContact O-N 2.84Å |
| 94 | L | 98.9 | Very high | 98.8 | Very high | 62 Ų | 62 | 26.2 Ų | 26.2 | 33% | 0.325 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -63.9 | -50.1 | 177.5 | 175.9 | 63.9 | 0 | 0 | 0 | 112 | P90 W91 W92 W97 L98 W144 | P90-L94 WeakPolarHBondContact O-CB 3.36Å; P90-L94 PolarHBondContact O-N 2.89Å; W91-L94 HydrophobicContact CE3-CD2 3.96Å; W91-L94 HydrophobicContact CZ3-CD2 3.84Å; W91-L94 WeakPolarHBondContact O-CB 3.4Å; W91-L94 PolarHBondContact O-N 3.46Å; W92-L94 VanDerWaalsContact C-N 3.31Å; W92-L94 PolarHBondContact O-N 3.17Å; L94-W97 PolarHBondContact O-N 3.16Å; L94-L98 VanDerWaalsContact O-CB 3.28Å; L94-L98 WeakPolarHBondContact O-CB 3.47Å; L94-L98 PolarHBondContact O-N 2.71Å; L94-W144 HydrophobicContact CD2-CH2 4.06Å; L94-W144 HydrophobicContact CD2-CZ3 3.87Å |
| 95 | T | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -67.3 | -38.7 | -178.8 | 58.7 | 0 | 0 | 0 | 0 | 111.8 | W91 W92 L98 G99 G130 A134 L147 | W91-T95 HydrophobicContact CD2-CG2 4.15Å; W91-T95 HydrophobicContact CE3-CG2 4.41Å; W91-T95 HydrophobicContact CH2-CG2 4.11Å; W91-T95 HydrophobicContact CZ2-CG2 3.84Å; W91-T95 HydrophobicContact CZ3-CG2 4.39Å; W91-T95 PolarHBondContact O-N 3.12Å; W91-T95 PolarHBondContact O-OG1 2.82Å; W92-T95 PolarHBondContact O-N 3.41Å; W92-T95 PolarHBondContact O-OG1 2.89Å; T95-L98 PolarHBondContact O-N 3.44Å; T95-G99 PolarHBondContact O-N 3.38Å; T95-G130 VanDerWaalsContact CB-O 3.25Å; T95-G130 WeakPolarHBondContact CB-O 3.43Å; T95-G130 WeakPolarHBondContact O-CA 3.39Å; T95-G130 PolarHBondContact OG1-O 2.88Å; T95-A134 HydrophobicContact CG2-CB 4.34Å; T95-L147 HydrophobicContact CG2-CD2 3.95Å |
| 96 | G | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59.8 | -52.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | W92 L98 G99 T100 | W92-G96 PolarHBondContact O-N 3.18Å; G96-L98 VanDerWaalsContact C-N 3.35Å; G96-L98 PolarHBondContact O-N 2.82Å; G96-G99 PolarHBondContact O-N 3.22Å; G96-T100 PolarHBondContact O-N 3.41Å; G96-T100 PolarHBondContact O-OG1 2.94Å |
| 97 | W | 98.9 | Very high | 98.8 | Very high | 110 Ų | 110 | 27.8 Ų | 27.8 | 42% | 0.417 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -59.2 | -44.3 | 176.7 | 173.5 | 88.6 | 0 | 0 | 0 | 112.1 | L82 A93 L94 G99 T100 V101 | L82-W97 HydrophobicContact CD1-CB 4.48Å; A93-W97 VanDerWaalsContact O-CB 3.22Å; A93-W97 WeakPolarHBondContact O-CB 3.46Å; A93-W97 PolarHBondContact O-N 2.84Å; L94-W97 PolarHBondContact O-N 3.16Å; W97-G99 VanDerWaalsContact C-N 3.3Å; W97-G99 PolarHBondContact O-N 3.42Å; W97-T100 WeakPolarHBondContact O-CB 3.49Å; W97-T100 PolarHBondContact O-N 2.96Å; W97-V101 HydrophobicContact CD2-CG2 4.04Å; W97-V101 HydrophobicContact CE3-CG2 4.38Å; W97-V101 HydrophobicContact CH2-CG2 4.04Å; W97-V101 HydrophobicContact CZ2-CG2 3.67Å; W97-V101 HydrophobicContact CZ3-CG2 4.37Å; W97-V101 WeakPolarHBondContact O-CG2 3.42Å; W97-V101 PolarHBondContact O-N 2.93Å |
| 98 | L | 98.9 | Very high | 98.8 | Very high | 33 Ų | 33 | 26.1 Ų | 26.1 | 17% | 0.173 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -59.7 | -43.6 | 177 | 177.9 | 63.9 | 0 | 0 | 0 | 110.9 | L94 T95 G96 T100 V101 V102 L147 V150 | L94-L98 VanDerWaalsContact O-CB 3.28Å; L94-L98 WeakPolarHBondContact O-CB 3.47Å; L94-L98 PolarHBondContact O-N 2.71Å; T95-L98 PolarHBondContact O-N 3.44Å; G96-L98 VanDerWaalsContact C-N 3.35Å; G96-L98 PolarHBondContact O-N 2.82Å; L98-T100 PolarHBondContact O-N 3.31Å; L98-V101 PolarHBondContact O-N 3.16Å; L98-V102 HydrophobicContact CD1-CG2 4.02Å; L98-V102 HydrophobicContact CG-CG2 4.33Å; L98-V102 VanDerWaalsContact O-CG2 3.3Å; L98-V102 WeakPolarHBondContact O-CG2 3.32Å; L98-V102 PolarHBondContact O-N 3.11Å; L98-L147 HydrophobicContact CD2-CB 4.13Å; L98-L147 HydrophobicContact CD2-CD1 4.41Å; L98-L147 HydrophobicContact CD2-CD2 3.76Å; L98-L147 HydrophobicContact CD2-CG 4.31Å; L98-V150 HydrophobicContact CD2-CG1 4.41Å |
| 99 | G | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -58.9 | -46.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | T95 G96 W97 V101 V102 S103 A126 S154 | T95-G99 PolarHBondContact O-N 3.38Å; G96-G99 PolarHBondContact O-N 3.22Å; W97-G99 VanDerWaalsContact C-N 3.3Å; W97-G99 PolarHBondContact O-N 3.42Å; G99-V101 VanDerWaalsContact C-N 3.34Å; G99-V101 PolarHBondContact O-N 3.05Å; G99-V102 PolarHBondContact O-N 3.42Å; G99-S103 VanDerWaalsContact O-CB 3.31Å; G99-S103 WeakPolarHBondContact O-CB 3.45Å; G99-S103 PolarHBondContact O-N 3.33Å; G99-A126 WeakPolarHBondContact O-CB 3.49Å; G99-S154 WeakPolarHBondContact CA-OG 3.48Å |
| 100 | T | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -57.6 | -45.9 | 176 | -37 | 0 | 0 | 0 | 0 | 111.9 | I62 I66 G96 W97 L98 T104 T127 | I62-T100 HydrophobicContact CB-CG2 4.45Å; I62-T100 HydrophobicContact CD1-CG2 4.13Å; I62-T100 HydrophobicContact CG2-CG2 3.88Å; I66-T100 HydrophobicContact CG1-CG2 4.3Å; G96-T100 PolarHBondContact O-N 3.41Å; G96-T100 PolarHBondContact O-OG1 2.94Å; W97-T100 WeakPolarHBondContact O-CB 3.49Å; W97-T100 PolarHBondContact O-N 2.96Å; L98-T100 PolarHBondContact O-N 3.31Å; T100-T104 VanDerWaalsContact O-CB 3.32Å; T100-T104 WeakPolarHBondContact O-CB 2.96Å; T100-T104 PolarHBondContact O-N 2.99Å; T100-T104 PolarHBondContact O-OG1 2.94Å; T100-T127 PolarHBondContact OG1-OG1 3.34Å |
| 101 | V | 98.9 | Very high | 98.8 | Very high | 20 Ų | 20 | 35.1 Ų | 35.1 | 12% | 0.121 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.7 | -52.9 | 179.5 | 170.3 | 0 | 0 | 0 | 0 | 110.9 | F58 I62 W97 L98 G99 S103 T104 L105 | F58-V101 HydrophobicContact CE1-CG1 4.23Å; F58-V101 HydrophobicContact CZ-CG1 4.22Å; I62-V101 HydrophobicContact CD1-CB 4.45Å; I62-V101 HydrophobicContact CD1-CG2 4.06Å; I62-V101 HydrophobicContact CG1-CG2 4.1Å; I62-V101 HydrophobicContact CG2-CG2 4.31Å; W97-V101 HydrophobicContact CD2-CG2 4.04Å; W97-V101 HydrophobicContact CE3-CG2 4.38Å; W97-V101 HydrophobicContact CH2-CG2 4.04Å; W97-V101 HydrophobicContact CZ2-CG2 3.67Å; W97-V101 HydrophobicContact CZ3-CG2 4.37Å; W97-V101 WeakPolarHBondContact O-CG2 3.42Å; W97-V101 PolarHBondContact O-N 2.93Å; L98-V101 PolarHBondContact O-N 3.16Å; G99-V101 VanDerWaalsContact C-N 3.34Å; G99-V101 PolarHBondContact O-N 3.05Å; V101-S103 VanDerWaalsContact C-N 3.31Å; V101-S103 PolarHBondContact O-N 3.39Å; V101-T104 PolarHBondContact O-N 3.24Å; V101-L105 HydrophobicContact CG1-CD1 3.96Å; V101-L105 HydrophobicContact CG1-CG 4.5Å; V101-L105 WeakPolarHBondContact O-CG 3.44Å; V101-L105 PolarHBondContact O-N 3.32Å |
| 102 | V | 98.9 | Very high | 98.8 | Very high | 24 Ų | 24 | 36.9 Ų | 36.9 | 15% | 0.145 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.8 | -42.9 | -178.1 | 171.8 | 0 | 0 | 0 | 0 | 111 | L98 G99 L105 M106 C151 M155 | L98-V102 HydrophobicContact CD1-CG2 4.02Å; L98-V102 HydrophobicContact CG-CG2 4.33Å; L98-V102 VanDerWaalsContact O-CG2 3.3Å; L98-V102 WeakPolarHBondContact O-CG2 3.32Å; L98-V102 PolarHBondContact O-N 3.11Å; G99-V102 PolarHBondContact O-N 3.42Å; V102-L105 PolarHBondContact O-N 3.12Å; V102-M106 WeakPolarHBondContact O-CB 3.3Å; V102-M106 PolarHBondContact O-N 3.26Å; V102-C151 HydrophobicContact CG2-CB 4.41Å; V102-M155 HydrophobicContact CG1-CG 3.54Å |
| 103 | S | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -68.3 | -39.3 | -179.5 | -152.7 | 0 | 0 | 0 | 0 | 112.8 | G99 V101 M106 A107 Y122 A126 S154 C157 P158 | G99-S103 VanDerWaalsContact O-CB 3.31Å; G99-S103 WeakPolarHBondContact O-CB 3.45Å; G99-S103 PolarHBondContact O-N 3.33Å; V101-S103 VanDerWaalsContact C-N 3.31Å; V101-S103 PolarHBondContact O-N 3.39Å; S103-M106 PolarHBondContact O-N 3.17Å; S103-A107 WeakPolarHBondContact O-CB 3.45Å; S103-A107 PolarHBondContact O-N 2.9Å; S103-Y122 PolarHBondContact OG-O 2.99Å; S103-A126 WeakPolarHBondContact OG-CB 3.32Å; S103-S154 WeakPolarHBondContact CB-O 3.27Å; S103-S154 PolarHBondContact OG-O 3.21Å; S103-C157 WeakPolarHBondContact OG-CB 3.49Å; S103-P158 VanDerWaalsContact O-CG 3.3Å; S103-P158 WeakPolarHBondContact O-CG 3.3Å; S103-P158 VanDerWaalsContact OG-CD 3.27Å; S103-P158 WeakPolarHBondContact OG-CD 3.26Å; S103-P158 WeakPolarHBondContact OG-CG 3.34Å |
| 104 | T | 98.8 | Very high | 98.6 | Very high | 2 Ų | 2 | 46.4 Ų | 46.4 | 1% | 0.012 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66.1 | -42.9 | 176.2 | -57.6 | 0 | 0 | 0 | 0 | 110.6 | F58 W61 I62 T100 V101 M106 A107 L108 I117 | F58-T104 HydrophobicContact CD2-CG2 4.19Å; F58-T104 HydrophobicContact CE2-CG2 3.58Å; F58-T104 HydrophobicContact CZ-CG2 4.26Å; W61-T104 HydrophobicContact CB-CG2 4.44Å; W61-T104 HydrophobicContact CE3-CG2 4.31Å; I62-T104 HydrophobicContact CD1-CG2 3.96Å; I62-T104 WeakPolarHBondContact CD1-OG1 3.43Å; T100-T104 VanDerWaalsContact O-CB 3.32Å; T100-T104 WeakPolarHBondContact O-CB 2.96Å; T100-T104 PolarHBondContact O-N 2.99Å; T100-T104 PolarHBondContact O-OG1 2.94Å; V101-T104 PolarHBondContact O-N 3.24Å; T104-M106 VanDerWaalsContact C-N 3.35Å; T104-M106 PolarHBondContact O-N 2.96Å; T104-A107 PolarHBondContact O-N 3Å; T104-L108 VanDerWaalsContact O-CG 3.26Å; T104-L108 WeakPolarHBondContact O-CG 3.48Å; T104-L108 PolarHBondContact O-N 3.41Å; T104-L108 VanDerWaalsContact O-N 3.09Å; T104-I117 HydrophobicContact CG2-CG2 4.01Å |
| 105 | L | 98.8 | Very high | 98.5 | Very high | 82 Ų | 82 | 47 Ų | 47 | 43% | 0.429 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -59.9 | -44.1 | 172 | -70.7 | 172.9 | 0 | 0 | 0 | 111.8 | F58 V101 V102 A107 L108 L109 | F58-L105 HydrophobicContact CE2-CD2 3.77Å; F58-L105 HydrophobicContact CE2-CG 4.13Å; F58-L105 HydrophobicContact CZ-CD2 3.76Å; F58-L105 HydrophobicContact CZ-CG 3.79Å; V101-L105 HydrophobicContact CG1-CD1 3.96Å; V101-L105 HydrophobicContact CG1-CG 4.5Å; V101-L105 WeakPolarHBondContact O-CG 3.44Å; V101-L105 PolarHBondContact O-N 3.32Å; V102-L105 PolarHBondContact O-N 3.12Å; L105-A107 PolarHBondContact O-N 3.35Å; L105-L108 HydrophobicContact CD2-CD1 4.42Å; L105-L108 WeakPolarHBondContact O-CB 3.36Å; L105-L108 PolarHBondContact O-N 2.83Å; L105-L109 WeakPolarHBondContact O-CG 3.19Å; L105-L109 PolarHBondContact O-N 3.37Å |
| 106 | M | 98.8 | Very high | 98.5 | Very high | 38 Ų | 38 | 49.2 Ų | 49.2 | 19% | 0.187 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.5 | -38.1 | 179 | -171.3 | 62 | 178.7 | 0 | 0 | 112.1 | V102 S103 T104 L108 L109 L110 M155 P158 | V102-M106 WeakPolarHBondContact O-CB 3.3Å; V102-M106 PolarHBondContact O-N 3.26Å; S103-M106 PolarHBondContact O-N 3.17Å; T104-M106 VanDerWaalsContact C-N 3.35Å; T104-M106 PolarHBondContact O-N 2.96Å; M106-L108 VanDerWaalsContact C-N 3.3Å; M106-L108 PolarHBondContact O-N 3.26Å; M106-L109 PolarHBondContact O-N 3Å; M106-L109 HydrophobicContact SD-CB 4.47Å; M106-L109 HydrophobicContact SD-CD1 4.31Å; M106-L110 HydrophobicContact CE-CD1 3.86Å; M106-L110 HydrophobicContact CE-CD2 3.96Å; M106-L110 HydrophobicContact CE-CG 3.84Å; M106-L110 HydrophobicContact CG-CD1 4.11Å; M106-L110 HydrophobicContact CG-CG 4.37Å; M106-L110 WeakPolarHBondContact O-CB 3.32Å; M106-L110 WeakPolarHBondContact O-CG 3.49Å; M106-L110 PolarHBondContact O-N 2.83Å; M106-L110 HydrophobicContact SD-CG 4.37Å; M106-M155 HydrophobicContact CB-CG 4.44Å; M106-M155 HydrophobicContact CG-CB 4.13Å; M106-M155 HydrophobicContact CG-CG 4.4Å; M106-M155 WeakPolarHBondContact CG-O 3.48Å; M106-M155 HydrophobicContact SD-CB 4.47Å; M106-M155 HydrophobicContact SD-CG 4.48Å; M106-P158 HydrophobicContact CB-CG 4.16Å; M106-P158 HydrophobicContact CG-CG 4.34Å |
| 107 | A | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.9 | -36.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | S103 T104 L105 S111 Q112 I117 Y122 P158 | S103-A107 WeakPolarHBondContact O-CB 3.45Å; S103-A107 PolarHBondContact O-N 2.9Å; T104-A107 PolarHBondContact O-N 3Å; L105-A107 PolarHBondContact O-N 3.35Å; A107-S111 PolarHBondContact O-N 3.08Å; A107-Q112 HydrophobicContact CB-CB 4.26Å; A107-Q112 HydrophobicContact CB-CG 4.21Å; A107-Q112 WeakPolarHBondContact O-CB 3.44Å; A107-Q112 WeakPolarHBondContact O-CG 3.34Å; A107-Q112 PolarHBondContact O-N 2.85Å; A107-I117 HydrophobicContact CB-CD1 3.92Å; A107-I117 HydrophobicContact CB-CG1 3.99Å; A107-Y122 HydrophobicContact CB-CD1 3.97Å; A107-Y122 HydrophobicContact CB-CD2 4.27Å; A107-Y122 HydrophobicContact CB-CG 3.71Å; A107-P158 HydrophobicContact CB-CB 4.11Å; A107-P158 HydrophobicContact CB-CG 4.12Å |
| 108 | L | 98.5 | Very high | 98.4 | Very high | 34 Ų | 34 | 45.7 Ų | 45.7 | 18% | 0.178 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -66 | -44.7 | 173.3 | -64.4 | 165.5 | 0 | 0 | 0 | 111.6 | F58 W61 T104 L105 M106 S111 R114 I117 | F58-L108 HydrophobicContact CD2-CD1 4.15Å; F58-L108 HydrophobicContact CE2-CD1 3.94Å; W61-L108 HydrophobicContact CZ3-CD1 4.14Å; W61-L108 HydrophobicContact CZ3-CD2 3.85Å; T104-L108 VanDerWaalsContact O-CG 3.26Å; T104-L108 WeakPolarHBondContact O-CG 3.48Å; T104-L108 PolarHBondContact O-N 3.41Å; T104-L108 VanDerWaalsContact O-N 3.09Å; L105-L108 HydrophobicContact CD2-CD1 4.42Å; L105-L108 WeakPolarHBondContact O-CB 3.36Å; L105-L108 PolarHBondContact O-N 2.83Å; M106-L108 VanDerWaalsContact C-N 3.3Å; M106-L108 PolarHBondContact O-N 3.26Å; L108-S111 PolarHBondContact O-N 2.94Å; L108-S111 VanDerWaalsContact O-N 3.13Å; L108-R114 VanDerWaalsContact CD2-CZ 3.5Å; L108-I117 HydrophobicContact CD2-CD1 3.85Å; L108-I117 HydrophobicContact CD2-CG2 4.26Å; L108-I117 HydrophobicContact CG-CD1 4.24Å |
| 109 | L | 98.6 | Very high | 98.3 | Very high | 136 Ų | 136 | 45.1 Ų | 45.1 | 71% | 0.712 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -62.9 | -41 | 177.5 | -71.7 | 172.9 | 0 | 0 | 0 | 111.9 | L105 M106 S111 | L105-L109 WeakPolarHBondContact O-CG 3.19Å; L105-L109 PolarHBondContact O-N 3.37Å; M106-L109 PolarHBondContact O-N 3Å; M106-L109 HydrophobicContact SD-CB 4.47Å; M106-L109 HydrophobicContact SD-CD1 4.31Å; L109-S111 PolarHBondContact O-N 3.31Å |
| 110 | L | 98.3 | Very high | 98.3 | Very high | 68 Ų | 68 | 45.2 Ų | 45.2 | 36% | 0.356 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | 8.7 | 175.8 | -67.2 | 178.6 | 0 | 0 | 0 | 113.6 | M106 Q112 P158 I159 | M106-L110 HydrophobicContact CE-CD1 3.86Å; M106-L110 HydrophobicContact CE-CD2 3.96Å; M106-L110 HydrophobicContact CE-CG 3.84Å; M106-L110 HydrophobicContact CG-CD1 4.11Å; M106-L110 HydrophobicContact CG-CG 4.37Å; M106-L110 WeakPolarHBondContact O-CB 3.32Å; M106-L110 WeakPolarHBondContact O-CG 3.49Å; M106-L110 PolarHBondContact O-N 2.83Å; M106-L110 HydrophobicContact SD-CG 4.37Å; L110-Q112 HydrophobicContact CB-CG 4.13Å; L110-Q112 PolarHBondContact O-N 3.35Å; L110-Q112 VanDerWaalsContact O-N 3.17Å; L110-Q112 PolarHBondContact O-NE2 3.28Å; L110-P158 HydrophobicContact CD1-CB 4.33Å; L110-I159 HydrophobicContact CD1-CG1 3.83Å |
| 111 | S | 98.4 | Very high | 98.2 | Very high | 99 Ų | 99 | 48 Ų | 48 | 69% | 0.692 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52 | 39.1 | 177.8 | -59.7 | 0 | 0 | 0 | 0 | 113.8 | A107 L108 L109 | A107-S111 PolarHBondContact O-N 3.08Å; L108-S111 PolarHBondContact O-N 2.94Å; L108-S111 VanDerWaalsContact O-N 3.13Å; L109-S111 PolarHBondContact O-N 3.31Å |
| 112 | Q | 98.5 | Very high | 98.2 | Very high | 36 Ų | 36 | 47.7 Ų | 47.7 | 17% | 0.168 | 26% | 0.26 | C | S | . | . | trans | -68.8 | 162.2 | 176.5 | -59.6 | -58.4 | -61.8 | 0 | 0 | 111.6 | A107 L110 R114 I117 Y122 S162 | A107-Q112 HydrophobicContact CB-CB 4.26Å; A107-Q112 HydrophobicContact CB-CG 4.21Å; A107-Q112 WeakPolarHBondContact O-CB 3.44Å; A107-Q112 WeakPolarHBondContact O-CG 3.34Å; A107-Q112 PolarHBondContact O-N 2.85Å; L110-Q112 HydrophobicContact CB-CG 4.13Å; L110-Q112 PolarHBondContact O-N 3.35Å; L110-Q112 VanDerWaalsContact O-N 3.17Å; L110-Q112 PolarHBondContact O-NE2 3.28Å; Q112-R114 PolarHBondContact O-N 2.96Å; Q112-I117 HydrophobicContact CB-CD1 4.21Å; Q112-Y122 HydrophobicContact CB-CD2 4.26Å; Q112-Y122 HydrophobicContact CB-CE1 4.38Å; Q112-Y122 HydrophobicContact CB-CE2 3.68Å; Q112-Y122 HydrophobicContact CG-CE1 4.06Å; Q112-Y122 HydrophobicContact CG-CE2 4.26Å; Q112-Y122 PolarHBondContact OE1-OH 3.15Å; Q112-S162 PolarHBondContact OE1-OG 3.16Å | ||
| 113 | D | 97.7 | Very high | 98.2 | Very high | 89 Ų | 89 | 46.6 Ų | 46.6 | 48% | 0.476 | 25% | 0.254 | S | S | . | . | trans | -54.7 | 121.6 | -178.4 | -173.6 | -30.2 | 0 | 0 | 0 | 111.6 | S115 L116 I117 | D113-S115 VanDerWaalsContact C-N 3.27Å; D113-S115 VanDerWaalsContact CG-OG 3.26Å; D113-S115 PolarHBondContact O-N 3.16Å; D113-S115 WeakPolarHBondContact OD1-CB 3.39Å; D113-S115 PolarHBondContact OD1-N 3.16Å; D113-S115 PolarHBondContact OD1-OG 3.17Å; D113-S115 PolarHBondContact OD2-OG 2.89Å; D113-L116 HydrophobicContact CB-CB 4.31Å; D113-L116 HydrophobicContact CB-CD1 3.95Å; D113-L116 HydrophobicContact CB-CG 3.94Å; D113-L116 PolarHBondContact O-N 3.36Å; D113-I117 WeakPolarHBondContact O-CG1 3.35Å; D113-I117 PolarHBondContact O-N 2.92Å | ||
| 114 | R | 96.9 | Very high | 98.2 | Very high | 142 Ų | 142 | 47.3 Ų | 47.3 | 54% | 0.536 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63.6 | -29.7 | -177.1 | -64 | -64.7 | 175.1 | 147.5 | -8.2 | 113.1 | L108 Q112 A118 | L108-R114 VanDerWaalsContact CD2-CZ 3.5Å; Q112-R114 PolarHBondContact O-N 2.96Å; R114-A118 WeakPolarHBondContact O-CB 3.48Å; R114-A118 PolarHBondContact O-N 3Å |
| 115 | S | 96.8 | Very high | 98.2 | Very high | 74 Ų | 74 | 47.2 Ų | 47.2 | 52% | 0.517 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -69.4 | -38.7 | 176.5 | 69.3 | 0 | 0 | 0 | 0 | 111.9 | D113 S119 | D113-S115 VanDerWaalsContact C-N 3.27Å; D113-S115 VanDerWaalsContact CG-OG 3.26Å; D113-S115 PolarHBondContact O-N 3.16Å; D113-S115 WeakPolarHBondContact OD1-CB 3.39Å; D113-S115 PolarHBondContact OD1-N 3.16Å; D113-S115 PolarHBondContact OD1-OG 3.17Å; D113-S115 PolarHBondContact OD2-OG 2.89Å; S115-S119 WeakPolarHBondContact O-CB 3.4Å; S115-S119 PolarHBondContact O-N 2.81Å; S115-S119 VanDerWaalsContact O-N 3.11Å; S115-S119 PolarHBondContact O-OG 3.46Å |
| 116 | L | 97.5 | Very high | 98.2 | Very high | 47 Ų | 47 | 43.3 Ų | 43.3 | 25% | 0.246 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -70.3 | -39.8 | 175.6 | -58.8 | -177.7 | 0 | 0 | 0 | 111.1 | D113 S119 G120 L121 Y122 | D113-L116 HydrophobicContact CB-CB 4.31Å; D113-L116 HydrophobicContact CB-CD1 3.95Å; D113-L116 HydrophobicContact CB-CG 3.94Å; D113-L116 PolarHBondContact O-N 3.36Å; L116-S119 WeakPolarHBondContact CA-OG 3.49Å; L116-S119 PolarHBondContact O-OG 3.47Å; L116-G120 PolarHBondContact O-N 3.01Å; L116-L121 HydrophobicContact CB-CB 4.36Å; L116-L121 HydrophobicContact CB-CD1 4.47Å; L116-L121 HydrophobicContact CD2-CD1 3.6Å; L116-L121 WeakPolarHBondContact O-CB 3.46Å; L116-L121 PolarHBondContact O-N 3.39Å; L116-Y122 HydrophobicContact CB-CD2 3.96Å; L116-Y122 HydrophobicContact CB-CE2 3.75Å; L116-Y122 HydrophobicContact CD1-CE2 4.11Å |
| 117 | I | 98.2 | Very high | 98.2 | Very high | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.01 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.2 | -49.7 | 173.3 | -64.3 | 173.3 | 0 | 0 | 0 | 110.3 | W61 T104 A107 L108 Q112 D113 S119 G120 Y122 | W61-I117 HydrophobicContact CD2-CG2 4.13Å; W61-I117 HydrophobicContact CE3-CG2 3.71Å; W61-I117 HydrophobicContact CZ3-CG2 4.2Å; T104-I117 HydrophobicContact CG2-CG2 4.01Å; A107-I117 HydrophobicContact CB-CD1 3.92Å; A107-I117 HydrophobicContact CB-CG1 3.99Å; L108-I117 HydrophobicContact CD2-CD1 3.85Å; L108-I117 HydrophobicContact CD2-CG2 4.26Å; L108-I117 HydrophobicContact CG-CD1 4.24Å; Q112-I117 HydrophobicContact CB-CD1 4.21Å; D113-I117 WeakPolarHBondContact O-CG1 3.35Å; D113-I117 PolarHBondContact O-N 2.92Å; I117-S119 PolarHBondContact O-N 3.21Å; I117-G120 PolarHBondContact O-N 3.36Å; I117-Y122 HydrophobicContact CG1-CD2 3.74Å; I117-Y122 HydrophobicContact CG1-CE2 4.49Å; I117-Y122 HydrophobicContact CG1-CG 4.37Å |
| 118 | A | 97.8 | Very high | 98.2 | Very high | 34 Ų | 34 | 41.6 Ų | 41.6 | 28% | 0.281 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -66.3 | -24.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | W61 R64 R114 G120 | W61-A118 VanDerWaalsContact CD1-CA 3.42Å; R64-A118 WeakPolarHBondContact CD-O 3.3Å; R114-A118 WeakPolarHBondContact O-CB 3.48Å; R114-A118 PolarHBondContact O-N 3Å; A118-G120 VanDerWaalsContact C-N 3.32Å |
| 119 | S | 97.5 | Very high | 98.3 | Very high | 21 Ų | 21 | 40 Ų | 40 | 15% | 0.147 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | 7 | 173.1 | 53.6 | 0 | 0 | 0 | 0 | 113.6 | Q68 N73 S115 L116 I117 L121 | Q68-S119 VanDerWaalsContact CG-O 3.28Å; Q68-S119 WeakPolarHBondContact CG-O 3.22Å; Q68-S119 PolarHBondContact NE2-O 2.96Å; N73-S119 PolarHBondContact OD1-O 3.45Å; S115-S119 WeakPolarHBondContact O-CB 3.4Å; S115-S119 PolarHBondContact O-N 2.81Å; S115-S119 VanDerWaalsContact O-N 3.11Å; S115-S119 PolarHBondContact O-OG 3.46Å; L116-S119 WeakPolarHBondContact CA-OG 3.49Å; L116-S119 PolarHBondContact O-OG 3.47Å; I117-S119 PolarHBondContact O-N 3.21Å; S119-L121 VanDerWaalsContact C-N 3.31Å; S119-L121 PolarHBondContact O-N 2.66Å |
| 120 | G | 98.3 | Very high | 98.3 | Very high | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.01 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.7 | 4.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | G65 L116 I117 A118 Y122 G123 | G65-G120 WeakPolarHBondContact CA-O 3.3Å; L116-G120 PolarHBondContact O-N 3.01Å; I117-G120 PolarHBondContact O-N 3.36Å; A118-G120 VanDerWaalsContact C-N 3.32Å; G120-Y122 PolarHBondContact O-N 3Å; G120-Y122 VanDerWaalsContact O-N 3.12Å; G120-G123 PolarHBondContact O-N 2.88Å |
| 121 | L | 98.3 | Very high | 98.3 | Very high | 59 Ų | 59 | 30.3 Ų | 30.3 | 31% | 0.309 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -12.9 | -173.8 | -66.2 | 173.3 | 0 | 0 | 0 | 114 | Q68 L116 S119 Y124 | Q68-L121 HydrophobicContact CG-CD2 4.43Å; L116-L121 HydrophobicContact CB-CB 4.36Å; L116-L121 HydrophobicContact CB-CD1 4.47Å; L116-L121 HydrophobicContact CD2-CD1 3.6Å; L116-L121 WeakPolarHBondContact O-CB 3.46Å; L116-L121 PolarHBondContact O-N 3.39Å; S119-L121 VanDerWaalsContact C-N 3.31Å; S119-L121 PolarHBondContact O-N 2.66Å; L121-Y124 HydrophobicContact CB-CE1 4.46Å; L121-Y124 HydrophobicContact CD2-CE1 4.16Å; L121-Y124 WeakPolarHBondContact O-CD1 3.47Å; L121-Y124 WeakPolarHBondContact O-CE1 3.47Å |
| 122 | Y | 98.7 | Very high | 98.3 | Very high | 13 Ų | 13 | 26.2 Ų | 26.2 | 5% | 0.051 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | -0.2 | 171.7 | -82.3 | -72.9 | 0 | 0 | 0 | 114.2 | S103 A107 Q112 L116 I117 G120 P158 | S103-Y122 PolarHBondContact OG-O 2.99Å; A107-Y122 HydrophobicContact CB-CD1 3.97Å; A107-Y122 HydrophobicContact CB-CD2 4.27Å; A107-Y122 HydrophobicContact CB-CG 3.71Å; Q112-Y122 HydrophobicContact CB-CD2 4.26Å; Q112-Y122 HydrophobicContact CB-CE1 4.38Å; Q112-Y122 HydrophobicContact CB-CE2 3.68Å; Q112-Y122 HydrophobicContact CG-CE1 4.06Å; Q112-Y122 HydrophobicContact CG-CE2 4.26Å; Q112-Y122 PolarHBondContact OE1-OH 3.15Å; L116-Y122 HydrophobicContact CB-CD2 3.96Å; L116-Y122 HydrophobicContact CB-CE2 3.75Å; L116-Y122 HydrophobicContact CD1-CE2 4.11Å; I117-Y122 HydrophobicContact CG1-CD2 3.74Å; I117-Y122 HydrophobicContact CG1-CE2 4.49Å; I117-Y122 HydrophobicContact CG1-CG 4.37Å; G120-Y122 PolarHBondContact O-N 3Å; G120-Y122 VanDerWaalsContact O-N 3.12Å; Y122-P158 HydrophobicContact CD1-CB 3.69Å; Y122-P158 HydrophobicContact CD1-CG 4.26Å; Y122-P158 HydrophobicContact CE1-CB 3.95Å |
| 123 | G | 98.5 | Very high | 98.3 | Very high | 1 Ų | 1 | 24.5 Ų | 24.5 | 1% | 0.01 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | -34.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115 | G120 N125 A126 T127 | G120-G123 PolarHBondContact O-N 2.88Å; G123-N125 PolarHBondContact O-N 2.92Å; G123-A126 PolarHBondContact O-N 3.08Å; G123-T127 PolarHBondContact O-N 2.84Å; G123-T127 PolarHBondContact O-OG1 3.47Å |
| 124 | Y | 98.8 | Very high | 98.4 | Very high | 15 Ų | 15 | 20.5 Ų | 20.5 | 6% | 0.059 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -65.6 | -39.5 | -168.4 | 71.4 | -88.9 | 0 | 0 | 0 | 114.2 | G65 Q68 V69 L121 A126 T127 L128 F176 T177 | G65-Y124 WeakPolarHBondContact O-CA 3.48Å; G65-Y124 WeakPolarHBondContact O-CB 3.47Å; G65-Y124 PolarHBondContact O-N 3.43Å; Q68-Y124 HydrophobicContact CB-CD1 3.87Å; Q68-Y124 HydrophobicContact CB-CG 4.01Å; V69-Y124 WeakPolarHBondContact CG2-O 3.47Å; L121-Y124 HydrophobicContact CB-CE1 4.46Å; L121-Y124 HydrophobicContact CD2-CE1 4.16Å; L121-Y124 WeakPolarHBondContact O-CD1 3.47Å; L121-Y124 WeakPolarHBondContact O-CE1 3.47Å; Y124-A126 VanDerWaalsContact C-N 3.31Å; Y124-A126 PolarHBondContact O-N 2.93Å; Y124-T127 VanDerWaalsContact O-CB 3.28Å; Y124-T127 WeakPolarHBondContact O-CB 3.15Å; Y124-T127 PolarHBondContact O-N 3.44Å; Y124-T127 VanDerWaalsContact O-N 3.16Å; Y124-L128 PolarHBondContact O-N 3.24Å; Y124-F176 WeakPolarHBondContact CE2-O 3.34Å; Y124-F176 PolarHBondContact OH-O 3.11Å; Y124-T177 HydrophobicContact CD2-CG2 4.31Å; Y124-T177 HydrophobicContact CE2-CG2 4.08Å |
| 125 | N | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -59.8 | -43.5 | 177.6 | -82.6 | -70.7 | 0 | 0 | 0 | 111.4 | G123 T127 L128 V129 C157 F176 T177 P179 F180 | G123-N125 PolarHBondContact O-N 2.92Å; N125-T127 VanDerWaalsContact C-N 3.32Å; N125-T127 PolarHBondContact O-N 2.66Å; N125-L128 PolarHBondContact O-N 3.39Å; N125-V129 WeakPolarHBondContact O-CG2 3.33Å; N125-V129 PolarHBondContact O-N 2.78Å; N125-C157 HydrophobicContact CB-CB 4.23Å; N125-F176 PolarHBondContact ND2-O 3.04Å; N125-T177 VanDerWaalsContact OD1-CA 3.28Å; N125-T177 WeakPolarHBondContact OD1-CA 3.06Å; N125-P179 HydrophobicContact CB-CB 4.03Å; N125-P179 WeakPolarHBondContact ND2-CG 3.31Å; N125-P179 WeakPolarHBondContact OD1-CD 3.13Å; N125-F180 HydrophobicContact CB-CB 4.12Å; N125-F180 VanDerWaalsContact OD1-CB 3.27Å; N125-F180 WeakPolarHBondContact OD1-CB 3.32Å; N125-F180 PolarHBondContact OD1-N 2.95Å |
| 126 | A | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -74.7 | -23.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | G99 S103 G123 Y124 L128 V129 G130 C157 | G99-A126 WeakPolarHBondContact O-CB 3.49Å; S103-A126 WeakPolarHBondContact OG-CB 3.32Å; G123-A126 PolarHBondContact O-N 3.08Å; Y124-A126 VanDerWaalsContact C-N 3.31Å; Y124-A126 PolarHBondContact O-N 2.93Å; A126-L128 VanDerWaalsContact C-N 3.34Å; A126-V129 PolarHBondContact O-N 3.14Å; A126-G130 PolarHBondContact O-N 3.18Å; A126-C157 HydrophobicContact CB-CB 4.19Å |
| 127 | T | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -59.1 | -49.3 | 169.1 | -49.6 | 0 | 0 | 0 | 0 | 109.6 | I66 T100 G123 Y124 N125 G130 V131 Y234 | I66-T127 HydrophobicContact CG1-CG2 4.14Å; T100-T127 PolarHBondContact OG1-OG1 3.34Å; G123-T127 PolarHBondContact O-N 2.84Å; G123-T127 PolarHBondContact O-OG1 3.47Å; Y124-T127 VanDerWaalsContact O-CB 3.28Å; Y124-T127 WeakPolarHBondContact O-CB 3.15Å; Y124-T127 PolarHBondContact O-N 3.44Å; Y124-T127 VanDerWaalsContact O-N 3.16Å; N125-T127 VanDerWaalsContact C-N 3.32Å; N125-T127 PolarHBondContact O-N 2.66Å; T127-G130 PolarHBondContact O-N 2.78Å; T127-V131 WeakPolarHBondContact O-CG2 3.33Å; T127-V131 PolarHBondContact O-N 2.89Å; T127-Y234 HydrophobicContact CG2-CE1 4.37Å |
| 128 | L | 98.9 | Very high | 98.6 | Very high | 3 Ų | 3 | 15.1 Ų | 15.1 | 2% | 0.016 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -64.9 | -41.8 | 175.7 | -68.1 | 174.3 | 0 | 0 | 0 | 112.3 | V69 Y124 N125 A126 G130 V131 L132 T177 F180 I233 Y234 | V69-L128 HydrophobicContact CG1-CD1 4.07Å; V69-L128 HydrophobicContact CG1-CD2 3.73Å; V69-L128 HydrophobicContact CG1-CG 4.01Å; V69-L128 HydrophobicContact CG2-CD1 4.39Å; V69-L128 HydrophobicContact CG2-CD2 4.29Å; V69-L128 HydrophobicContact CG2-CG 3.92Å; Y124-L128 PolarHBondContact O-N 3.24Å; N125-L128 PolarHBondContact O-N 3.39Å; A126-L128 VanDerWaalsContact C-N 3.34Å; L128-G130 PolarHBondContact O-N 3.3Å; L128-V131 PolarHBondContact O-N 3.18Å; L128-L132 HydrophobicContact CB-CD2 4.34Å; L128-L132 HydrophobicContact CD2-CD2 4.07Å; L128-L132 WeakPolarHBondContact O-CB 3.28Å; L128-L132 VanDerWaalsContact O-CD2 3.23Å; L128-L132 WeakPolarHBondContact O-CD2 3.38Å; L128-L132 PolarHBondContact O-N 3.33Å; L128-T177 HydrophobicContact CD1-CG2 3.55Å; L128-F180 HydrophobicContact CB-CB 4.2Å; L128-F180 HydrophobicContact CB-CD1 4.13Å; L128-F180 HydrophobicContact CB-CD2 3.28Å; L128-F180 HydrophobicContact CB-CE1 4.37Å; L128-F180 HydrophobicContact CB-CE2 3.56Å; L128-F180 HydrophobicContact CB-CG 3.58Å; L128-F180 HydrophobicContact CB-CZ 4.11Å; L128-F180 HydrophobicContact CD1-CB 4.26Å; L128-F180 HydrophobicContact CD1-CD1 3.78Å; L128-F180 HydrophobicContact CD1-CD2 4.42Å; L128-F180 HydrophobicContact CD1-CE1 4.24Å; L128-F180 HydrophobicContact CD1-CG 3.87Å; L128-F180 HydrophobicContact CG-CD2 4.49Å; L128-F180 HydrophobicContact CG-CG 4.41Å; L128-I233 VanDerWaalsContact CD2-O 3.32Å; L128-I233 WeakPolarHBondContact CD2-O 3.25Å; L128-Y234 HydrophobicContact CD2-CD1 4.29Å |
| 129 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -56.1 | -51.4 | 175.6 | 168.6 | 0 | 0 | 0 | 0 | 110.3 | N125 A126 V131 M133 M153 F180 A183 | N125-V129 WeakPolarHBondContact O-CG2 3.33Å; N125-V129 PolarHBondContact O-N 2.78Å; A126-V129 PolarHBondContact O-N 3.14Å; V129-V131 PolarHBondContact O-N 2.92Å; V129-M133 HydrophobicContact CG1-CG 4.22Å; V129-M133 HydrophobicContact CG1-SD 3.38Å; V129-M133 WeakPolarHBondContact CG1-SD 3.49Å; V129-M133 VanDerWaalsContact O-CB 3.24Å; V129-M133 WeakPolarHBondContact O-CB 3.45Å; V129-M133 WeakPolarHBondContact O-CG 3.48Å; V129-M133 PolarHBondContact O-N 3.49Å; V129-M153 HydrophobicContact CG1-CB 3.63Å; V129-F180 HydrophobicContact CB-CD2 4.49Å; V129-F180 HydrophobicContact CG2-CB 4.44Å; V129-F180 HydrophobicContact CG2-CD2 3.79Å; V129-A183 HydrophobicContact CG2-CB 3.98Å |
| 130 | G | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -61.2 | -45.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | T95 A126 T127 L128 A134 | T95-G130 VanDerWaalsContact CB-O 3.25Å; T95-G130 WeakPolarHBondContact CB-O 3.43Å; T95-G130 WeakPolarHBondContact O-CA 3.39Å; T95-G130 PolarHBondContact OG1-O 2.88Å; A126-G130 PolarHBondContact O-N 3.18Å; T127-G130 PolarHBondContact O-N 2.78Å; L128-G130 PolarHBondContact O-N 3.3Å; G130-A134 PolarHBondContact O-N 3.31Å |
| 131 | V | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -65.8 | -52.7 | 178.5 | 175.8 | 0 | 0 | 0 | 0 | 110.8 | L85 W92 T127 L128 V129 M133 A134 V135 Y234 | L85-V131 HydrophobicContact CD1-CG2 4.5Å; L85-V131 HydrophobicContact CD2-CG2 4.29Å; W92-V131 HydrophobicContact CB-CG1 4.26Å; T127-V131 WeakPolarHBondContact O-CG2 3.33Å; T127-V131 PolarHBondContact O-N 2.89Å; L128-V131 PolarHBondContact O-N 3.18Å; V129-V131 PolarHBondContact O-N 2.92Å; V131-M133 PolarHBondContact O-N 2.83Å; V131-A134 WeakPolarHBondContact O-CA 3.13Å; V131-A134 WeakPolarHBondContact O-CB 3.19Å; V131-A134 PolarHBondContact O-N 3.26Å; V131-V135 HydrophobicContact CG1-CG2 4.2Å; V131-V135 WeakPolarHBondContact O-CG2 3.41Å; V131-V135 PolarHBondContact O-N 3.44Å; V131-Y234 WeakPolarHBondContact CG1-O 3.4Å |
| 132 | L | 98.8 | Very high | 98.5 | Very high | 13 Ų | 13 | 25.7 Ų | 25.7 | 7% | 0.068 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -74.9 | -24.8 | -171.8 | -77.6 | -54 | 0 | 0 | 0 | 112.8 | L128 A134 V135 F136 F180 L184 | L128-L132 HydrophobicContact CB-CD2 4.34Å; L128-L132 HydrophobicContact CD2-CD2 4.07Å; L128-L132 WeakPolarHBondContact O-CB 3.28Å; L128-L132 VanDerWaalsContact O-CD2 3.23Å; L128-L132 WeakPolarHBondContact O-CD2 3.38Å; L128-L132 PolarHBondContact O-N 3.33Å; L132-A134 VanDerWaalsContact C-N 3.27Å; L132-A134 PolarHBondContact O-N 3.12Å; L132-V135 HydrophobicContact CD1-CB 4.04Å; L132-V135 HydrophobicContact CD1-CG1 4.25Å; L132-V135 HydrophobicContact CD1-CG2 4.14Å; L132-V135 PolarHBondContact O-N 2.7Å; L132-F136 HydrophobicContact CB-CD2 4.13Å; L132-F136 HydrophobicContact CB-CE2 4.16Å; L132-F136 HydrophobicContact CD1-CD2 4.44Å; L132-F136 HydrophobicContact CD1-CE2 3.88Å; L132-F136 HydrophobicContact CG-CE2 4.32Å; L132-F136 WeakPolarHBondContact O-CB 3.32Å; L132-F136 WeakPolarHBondContact O-CD2 3.2Å; L132-F136 PolarHBondContact O-N 2.86Å; L132-F180 HydrophobicContact CB-CE2 4.06Å; L132-F180 HydrophobicContact CB-CZ 4.27Å; L132-F180 HydrophobicContact CD2-CE2 4.28Å; L132-F180 HydrophobicContact CD2-CZ 4.21Å; L132-F180 HydrophobicContact CG-CE2 4.18Å; L132-F180 HydrophobicContact CG-CZ 3.98Å; L132-L184 HydrophobicContact CB-CD1 4.45Å; L132-L184 HydrophobicContact CB-CD2 3.69Å; L132-L184 HydrophobicContact CG-CD2 4.43Å |
| 133 | M | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62.6 | -35.5 | 167.1 | -74.3 | 174.9 | 69.9 | 0 | 0 | 111.9 | V129 V131 S137 P149 V150 M153 L184 Y187 | V129-M133 HydrophobicContact CG1-CG 4.22Å; V129-M133 HydrophobicContact CG1-SD 3.38Å; V129-M133 WeakPolarHBondContact CG1-SD 3.49Å; V129-M133 VanDerWaalsContact O-CB 3.24Å; V129-M133 WeakPolarHBondContact O-CB 3.45Å; V129-M133 WeakPolarHBondContact O-CG 3.48Å; V129-M133 PolarHBondContact O-N 3.49Å; V131-M133 PolarHBondContact O-N 2.83Å; M133-S137 WeakPolarHBondContact O-CB 3.47Å; M133-S137 PolarHBondContact O-N 3.27Å; M133-P149 HydrophobicContact CE-CB 3.67Å; M133-P149 HydrophobicContact CE-CG 4.04Å; M133-V150 HydrophobicContact CB-CG2 4.07Å; M133-V150 HydrophobicContact CE-CB 4.46Å; M133-V150 HydrophobicContact CE-CG2 3.89Å; M133-V150 HydrophobicContact SD-CG2 3.97Å; M133-M153 HydrophobicContact CE-CG 4.08Å; M133-M153 HydrophobicContact SD-CB 3.95Å; M133-M153 HydrophobicContact SD-CG 3.99Å; M133-L184 HydrophobicContact CG-CD1 3.72Å; M133-Y187 HydrophobicContact CB-CE1 4.42Å; M133-Y187 HydrophobicContact CE-CD1 3.89Å; M133-Y187 HydrophobicContact CE-CD2 3.88Å; M133-Y187 HydrophobicContact CE-CE1 3.65Å; M133-Y187 HydrophobicContact CE-CE2 3.65Å; M133-Y187 HydrophobicContact CE-CG 4Å; M133-Y187 HydrophobicContact CG-CD1 3.85Å; M133-Y187 HydrophobicContact CG-CE1 3.92Å; M133-Y187 HydrophobicContact SD-CD1 4.34Å |
| 134 | A | 98.8 | Very high | 98.5 | Very high | 5 Ų | 5 | 34 Ų | 34 | 4% | 0.041 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -71.1 | -45.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | W92 T95 G130 V131 L132 F136 S137 L146 | W92-A134 HydrophobicContact CG-CB 4.35Å; T95-A134 HydrophobicContact CG2-CB 4.34Å; G130-A134 PolarHBondContact O-N 3.31Å; V131-A134 WeakPolarHBondContact O-CA 3.13Å; V131-A134 WeakPolarHBondContact O-CB 3.19Å; V131-A134 PolarHBondContact O-N 3.26Å; L132-A134 VanDerWaalsContact C-N 3.27Å; L132-A134 PolarHBondContact O-N 3.12Å; A134-F136 VanDerWaalsContact C-N 3.32Å; A134-F136 PolarHBondContact O-N 3.26Å; A134-S137 PolarHBondContact O-N 3.46Å; A134-L146 HydrophobicContact CB-CD2 4.14Å |
| 135 | V | 98.7 | Very high | 98.5 | Very high | 19 Ų | 19 | 41.4 Ų | 41.4 | 12% | 0.115 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -58.6 | -41.7 | 178.7 | 173.1 | 0 | 0 | 0 | 0 | 112.2 | W92 V131 L132 K201 | W92-V135 HydrophobicContact CD2-CG2 3.8Å; W92-V135 HydrophobicContact CE3-CG2 3.69Å; W92-V135 HydrophobicContact CH2-CG2 3.94Å; W92-V135 HydrophobicContact CZ2-CG2 4.04Å; W92-V135 HydrophobicContact CZ3-CG2 3.76Å; V131-V135 HydrophobicContact CG1-CG2 4.2Å; V131-V135 WeakPolarHBondContact O-CG2 3.41Å; V131-V135 PolarHBondContact O-N 3.44Å; L132-V135 HydrophobicContact CD1-CB 4.04Å; L132-V135 HydrophobicContact CD1-CG1 4.25Å; L132-V135 HydrophobicContact CD1-CG2 4.14Å; L132-V135 PolarHBondContact O-N 2.7Å; V135-K201 WeakPolarHBondContact O-CD 3.32Å; V135-K201 WeakPolarHBondContact O-CE 3.41Å; V135-K201 PolarHBondContact O-NZ 3.04Å |
| 136 | F | 98.7 | Very high | 98.5 | Very high | 43 Ų | 43 | 41.4 Ų | 41.4 | 19% | 0.189 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | 3.1 | -178.4 | -67.4 | -61.5 | 0 | 0 | 0 | 114.2 | L132 A134 L184 L188 A200 K201 P336 | L132-F136 HydrophobicContact CB-CD2 4.13Å; L132-F136 HydrophobicContact CB-CE2 4.16Å; L132-F136 HydrophobicContact CD1-CD2 4.44Å; L132-F136 HydrophobicContact CD1-CE2 3.88Å; L132-F136 HydrophobicContact CG-CE2 4.32Å; L132-F136 WeakPolarHBondContact O-CB 3.32Å; L132-F136 WeakPolarHBondContact O-CD2 3.2Å; L132-F136 PolarHBondContact O-N 2.86Å; A134-F136 VanDerWaalsContact C-N 3.32Å; A134-F136 PolarHBondContact O-N 3.26Å; F136-L184 HydrophobicContact CD2-CD2 4.16Å; F136-L184 HydrophobicContact CE2-CD2 4.17Å; F136-L188 HydrophobicContact CB-CD1 4.29Å; F136-L188 HydrophobicContact CB-CD2 3.98Å; F136-L188 HydrophobicContact CD2-CD1 4.08Å; F136-L188 HydrophobicContact CG-CD1 4.24Å; F136-A200 CarbonylContact O-C 3.22Å; F136-A200 VanDerWaalsContact O-CA 3.25Å; F136-A200 WeakPolarHBondContact O-CA 3.45Å; F136-K201 PolarHBondContact O-N 3.49Å; F136-P336 HydrophobicContact CD1-CG 4.22Å; F136-P336 HydrophobicContact CD2-CG 4.1Å; F136-P336 HydrophobicContact CE1-CB 3.76Å; F136-P336 HydrophobicContact CE1-CG 3.82Å; F136-P336 HydrophobicContact CE2-CB 4.09Å; F136-P336 HydrophobicContact CE2-CG 3.69Å; F136-P336 HydrophobicContact CG-CG 4.36Å; F136-P336 HydrophobicContact CZ-CB 3.48Å; F136-P336 VanDerWaalsContact CZ-CB 3.48Å; F136-P336 HydrophobicContact CZ-CG 3.55Å |
| 137 | S | 98.6 | Very high | 98.5 | Very high | 6 Ų | 6 | 43.3 Ų | 43.3 | 4% | 0.042 | 20% | 0.202 | C | C | . | . | B | Isolated β-bridge | trans | -74.9 | 137.7 | 173.1 | -171.9 | 0 | 0 | 0 | 0 | 111.2 | M133 A134 K139 | M133-S137 WeakPolarHBondContact O-CB 3.47Å; M133-S137 PolarHBondContact O-N 3.27Å; A134-S137 PolarHBondContact O-N 3.46Å; S137-K139 VanDerWaalsContact C-N 3.3Å; S137-K139 PolarHBondContact OG-N 3.43Å |
| 138 | D | 98.3 | Very high | 98.5 | Very high | 85 Ų | 85 | 48.2 Ų | 48.2 | 46% | 0.455 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | 1.2 | 174.3 | -160.4 | 51.4 | 0 | 0 | 0 | 112.8 | H193 P199 | D138-H193 IonicContact OD2-CE1 3.68Å; D138-P199 HydrophobicContact CB-CB 4.17Å; D138-P199 HydrophobicContact CB-CG 4.23Å; D138-P199 WeakPolarHBondContact CB-O 3.31Å; D138-P199 PolarHBondContact N-O 3.47Å |
| 139 | K | 98 | Very high | 98.5 | Very high | 105 Ų | 105 | 48.8 Ų | 48.8 | 46% | 0.457 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -7.4 | 178.9 | -67.4 | -66 | -166.3 | -174.1 | 0 | 113.9 | S137 F143 P199 | S137-K139 VanDerWaalsContact C-N 3.3Å; S137-K139 PolarHBondContact OG-N 3.43Å; K139-F143 HydrophobicContact CB-CB 3.79Å; K139-F143 HydrophobicContact CB-CD1 3.57Å; K139-F143 HydrophobicContact CB-CD2 4.11Å; K139-F143 HydrophobicContact CB-CE1 4.16Å; K139-F143 HydrophobicContact CB-CG 3.56Å; K139-F143 HydrophobicContact CG-CD1 3.75Å; K139-F143 HydrophobicContact CG-CD2 4.29Å; K139-F143 HydrophobicContact CG-CE1 3.79Å; K139-F143 HydrophobicContact CG-CE2 4.31Å; K139-F143 HydrophobicContact CG-CG 4.02Å; K139-F143 HydrophobicContact CG-CZ 4.07Å; K139-P199 HydrophobicContact CD-CG 4.03Å; K139-P199 HydrophobicContact CG-CG 3.97Å |
| 140 | G | 95.3 | Very high | 98.5 | Very high | 37 Ų | 37 | 48.8 Ų | 48.8 | 38% | 0.381 | 23% | 0.231 | S | C | . | . | trans | 73.3 | -166.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 141 | D | 97.9 | Very high | 98.5 | Very high | 82 Ų | 82 | 50.6 Ų | 50.6 | 44% | 0.439 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | 151.2 | -174.2 | -69.1 | -21.6 | 0 | 0 | 0 | 113.1 | N89 W91 W92 F143 | N89-D141 VanDerWaalsContact ND2-CG 3.27Å; N89-D141 PolarHBondContact ND2-OD1 3.07Å; N89-D141 VanDerWaalsContact ND2-OD1 3.1Å; N89-D141 PolarHBondContact ND2-OD2 2.85Å; W91-D141 HydrophobicContact CB-CB 4.26Å; W91-D141 HydrophobicContact CG-CB 4.29Å; W92-D141 PolarHBondContact NE1-OD1 2.92Å; D141-F143 PolarHBondContact O-N 3.39Å; D141-F143 VanDerWaalsContact O-N 3.16Å |
| 142 | Y | 98.5 | Very high | 98.5 | Very high | 113 Ų | 113 | 52.6 Ų | 52.6 | 44% | 0.443 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.7 | 25.6 | 177.2 | -53.7 | -78.4 | 0 | 0 | 0 | 114.8 | W91 W144 | W91-Y142 HydrophobicContact CB-CD1 4.5Å; W91-Y142 HydrophobicContact CB-CE1 4.26Å; W91-Y142 HydrophobicContact CB-CE2 4.49Å; W91-Y142 HydrophobicContact CD2-CD1 4.35Å; W91-Y142 AromaticContact CE3-CD1 3.74Å; W91-Y142 HydrophobicContact CE3-CD1 3.74Å; W91-Y142 HydrophobicContact CE3-CE1 4.25Å; W91-Y142 HydrophobicContact CE3-CG 4.36Å; W91-Y142 HydrophobicContact CZ3-CD1 4.38Å; Y142-W144 VanDerWaalsContact C-N 3.25Å; Y142-W144 HydrophobicContact CD1-CZ2 4.06Å; Y142-W144 PolarHBondContact O-N 3.41Å; Y142-W144 PolarHBondContact O-NE1 2.96Å |
| 143 | F | 98.6 | Very high | 98.5 | Very high | 40 Ų | 40 | 53 Ų | 53 | 18% | 0.175 | 26% | 0.262 | C | S | . | . | trans | -70.4 | 84 | 163.8 | 178.4 | -127.7 | 0 | 0 | 0 | 109.8 | W91 K139 D141 W145 L146 F197 F198 | W91-F143 WeakPolarHBondContact CZ2-O 3.48Å; K139-F143 HydrophobicContact CB-CB 3.79Å; K139-F143 HydrophobicContact CB-CD1 3.57Å; K139-F143 HydrophobicContact CB-CD2 4.11Å; K139-F143 HydrophobicContact CB-CE1 4.16Å; K139-F143 HydrophobicContact CB-CG 3.56Å; K139-F143 HydrophobicContact CG-CD1 3.75Å; K139-F143 HydrophobicContact CG-CD2 4.29Å; K139-F143 HydrophobicContact CG-CE1 3.79Å; K139-F143 HydrophobicContact CG-CE2 4.31Å; K139-F143 HydrophobicContact CG-CG 4.02Å; K139-F143 HydrophobicContact CG-CZ 4.07Å; D141-F143 PolarHBondContact O-N 3.39Å; D141-F143 VanDerWaalsContact O-N 3.16Å; F143-W145 HydrophobicContact CD2-CB 4.36Å; F143-W145 HydrophobicContact CE1-CB 4.06Å; F143-W145 HydrophobicContact CE2-CB 3.73Å; F143-W145 AromaticContact CE2-CD1 3.71Å; F143-W145 HydrophobicContact CE2-CG 4.1Å; F143-W145 HydrophobicContact CZ-CB 3.55Å; F143-W145 HydrophobicContact CZ-CG 4.27Å; F143-W145 PolarHBondContact O-N 2.82Å; F143-W145 VanDerWaalsContact O-N 3.07Å; F143-L146 HydrophobicContact CD1-CB 3.86Å; F143-L146 HydrophobicContact CE1-CB 4.46Å; F143-L146 WeakPolarHBondContact O-CB 3.14Å; F143-L146 PolarHBondContact O-N 3.37Å; F143-F197 VanDerWaalsContact CZ-O 3.25Å; F143-F197 WeakPolarHBondContact CZ-O 3.43Å; F143-F198 AromaticContact CE1-CD1 3.79Å; F143-F198 HydrophobicContact CE1-CD1 3.79Å; F143-F198 HydrophobicContact CE1-CE1 4.12Å; F143-F198 HydrophobicContact CZ-CD1 4.31Å; F143-F198 HydrophobicContact CZ-CE1 4.37Å | ||
| 144 | W | 98.7 | Very high | 98.5 | Very high | 148 Ų | 148 | 53 Ų | 53 | 56% | 0.561 | 26% | 0.262 | S | S | * | . | G | 310 helix | trans | -55.7 | -29 | -171.6 | -68.3 | 105.7 | 0 | 0 | 0 | 115.1 | W91 L94 Y142 L146 L147 | W91-W144 HydrophobicContact CH2-CE3 4.2Å; W91-W144 HydrophobicContact CZ3-CD2 4.37Å; W91-W144 AromaticContact CZ3-CE3 3.88Å; W91-W144 HydrophobicContact CZ3-CE3 3.88Å; W91-W144 HydrophobicContact CZ3-CH2 4.26Å; W91-W144 AromaticContact CZ3-CZ3 3.83Å; W91-W144 HydrophobicContact CZ3-CZ3 3.83Å; L94-W144 HydrophobicContact CD2-CH2 4.06Å; L94-W144 HydrophobicContact CD2-CZ3 3.87Å; Y142-W144 VanDerWaalsContact C-N 3.25Å; Y142-W144 HydrophobicContact CD1-CZ2 4.06Å; Y142-W144 PolarHBondContact O-N 3.41Å; Y142-W144 PolarHBondContact O-NE1 2.96Å; W144-L146 PolarHBondContact O-N 3.22Å; W144-L147 HydrophobicContact CE3-CD1 3.68Å; W144-L147 HydrophobicContact CE3-CG 4.35Å; W144-L147 HydrophobicContact CZ3-CD1 4.01Å; W144-L147 WeakPolarHBondContact O-CB 3.27Å; W144-L147 WeakPolarHBondContact O-CG 3.49Å; W144-L147 PolarHBondContact O-N 3.22Å; W144-L147 VanDerWaalsContact O-N 3.11Å |
| 145 | W | 98.6 | Very high | 98.5 | Very high | 171 Ų | 171 | 56.7 Ų | 56.7 | 65% | 0.648 | 28% | 0.279 | S | S | * | . | G | 310 helix | trans | -60.7 | -26.5 | 175 | -70.7 | 108 | 0 | 0 | 0 | 112.7 | F143 L147 L148 P149 F198 | F143-W145 HydrophobicContact CD2-CB 4.36Å; F143-W145 HydrophobicContact CE1-CB 4.06Å; F143-W145 HydrophobicContact CE2-CB 3.73Å; F143-W145 AromaticContact CE2-CD1 3.71Å; F143-W145 HydrophobicContact CE2-CG 4.1Å; F143-W145 HydrophobicContact CZ-CB 3.55Å; F143-W145 HydrophobicContact CZ-CG 4.27Å; F143-W145 PolarHBondContact O-N 2.82Å; F143-W145 VanDerWaalsContact O-N 3.07Å; W145-L147 PolarHBondContact O-N 3.23Å; W145-L147 VanDerWaalsContact O-N 3.16Å; W145-L148 HydrophobicContact CE3-CD1 3.65Å; W145-L148 HydrophobicContact CZ3-CD1 3.88Å; W145-L148 WeakPolarHBondContact O-CB 3.37Å; W145-L148 PolarHBondContact O-N 2.93Å; W145-L148 VanDerWaalsContact O-N 3.08Å; W145-P149 VanDerWaalsContact O-CD 3.23Å; W145-P149 WeakPolarHBondContact O-CD 3.41Å; W145-F198 HydrophobicContact CB-CE1 4.02Å; W145-F198 WeakPolarHBondContact O-CE1 3.13Å |
| 146 | L | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -59.7 | -23.3 | 176.5 | -165.1 | 67.3 | 0 | 0 | 0 | 112.9 | W91 A134 F143 W144 L148 P149 V150 | W91-L146 HydrophobicContact CZ2-CB 4.18Å; W91-L146 HydrophobicContact CZ2-CD2 4.2Å; A134-L146 HydrophobicContact CB-CD2 4.14Å; F143-L146 HydrophobicContact CD1-CB 3.86Å; F143-L146 HydrophobicContact CE1-CB 4.46Å; F143-L146 WeakPolarHBondContact O-CB 3.14Å; F143-L146 PolarHBondContact O-N 3.37Å; W144-L146 PolarHBondContact O-N 3.22Å; L146-L148 PolarHBondContact O-N 3.2Å; L146-P149 HydrophobicContact CD1-CG 4.21Å; L146-P149 WeakPolarHBondContact O-CD 3.24Å; L146-P149 VanDerWaalsContact O-CG 3.29Å; L146-P149 WeakPolarHBondContact O-CG 3.4Å; L146-V150 HydrophobicContact CG-CG2 4.23Å; L146-V150 WeakPolarHBondContact O-CB 3.21Å; L146-V150 VanDerWaalsContact O-CG2 3.23Å; L146-V150 WeakPolarHBondContact O-CG2 3.46Å; L146-V150 PolarHBondContact O-N 3.18Å |
| 147 | L | 98.8 | Very high | 98.5 | Very high | 39 Ų | 39 | 55.4 Ų | 55.4 | 20% | 0.204 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.1 | -30.3 | 176 | -59.3 | -170.4 | 0 | 0 | 0 | 112.1 | W91 T95 L98 W144 W145 C151 | W91-L147 HydrophobicContact CH2-CD2 3.62Å; W91-L147 HydrophobicContact CH2-CG 4.07Å; W91-L147 HydrophobicContact CZ2-CD2 4.43Å; W91-L147 HydrophobicContact CZ3-CD2 4.07Å; T95-L147 HydrophobicContact CG2-CD2 3.95Å; L98-L147 HydrophobicContact CD2-CB 4.13Å; L98-L147 HydrophobicContact CD2-CD1 4.41Å; L98-L147 HydrophobicContact CD2-CD2 3.76Å; L98-L147 HydrophobicContact CD2-CG 4.31Å; W144-L147 HydrophobicContact CE3-CD1 3.68Å; W144-L147 HydrophobicContact CE3-CG 4.35Å; W144-L147 HydrophobicContact CZ3-CD1 4.01Å; W144-L147 WeakPolarHBondContact O-CB 3.27Å; W144-L147 WeakPolarHBondContact O-CG 3.49Å; W144-L147 PolarHBondContact O-N 3.22Å; W144-L147 VanDerWaalsContact O-N 3.11Å; W145-L147 PolarHBondContact O-N 3.23Å; W145-L147 VanDerWaalsContact O-N 3.16Å; L147-C151 WeakPolarHBondContact O-CB 3.26Å; L147-C151 PolarHBondContact O-N 3.17Å; L147-C151 PolarHBondContact O-SG 3.21Å |
| 148 | L | 98.8 | Very high | 98.5 | Very high | 104 Ų | 104 | 55.1 Ų | 55.1 | 55% | 0.545 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63.8 | -58.2 | 178 | -62.9 | -178.9 | 0 | 0 | 0 | 112.5 | W145 L146 V150 C151 A152 | W145-L148 HydrophobicContact CE3-CD1 3.65Å; W145-L148 HydrophobicContact CZ3-CD1 3.88Å; W145-L148 WeakPolarHBondContact O-CB 3.37Å; W145-L148 PolarHBondContact O-N 2.93Å; W145-L148 VanDerWaalsContact O-N 3.08Å; L146-L148 PolarHBondContact O-N 3.2Å; L148-V150 VanDerWaalsContact C-N 3.29Å; L148-V150 PolarHBondContact O-N 3.13Å; L148-C151 PolarHBondContact O-N 3.07Å; L148-A152 PolarHBondContact O-N 3.33Å |
| 149 | P | 98.8 | Very high | 98.5 | Very high | 15 Ų | 15 | 55.5 Ų | 55.5 | 10% | 0.097 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66.3 | -30.6 | 176.2 | 28.8 | -37 | 0 | 0 | 0 | 112.1 | M133 W145 L146 C151 A152 M153 Y187 F198 | M133-P149 HydrophobicContact CE-CB 3.67Å; M133-P149 HydrophobicContact CE-CG 4.04Å; W145-P149 VanDerWaalsContact O-CD 3.23Å; W145-P149 WeakPolarHBondContact O-CD 3.41Å; L146-P149 HydrophobicContact CD1-CG 4.21Å; L146-P149 WeakPolarHBondContact O-CD 3.24Å; L146-P149 VanDerWaalsContact O-CG 3.29Å; L146-P149 WeakPolarHBondContact O-CG 3.4Å; P149-C151 PolarHBondContact O-N 3.38Å; P149-A152 PolarHBondContact O-N 3.44Å; P149-M153 WeakPolarHBondContact O-CB 3.35Å; P149-M153 WeakPolarHBondContact O-CG 3.29Å; P149-M153 PolarHBondContact O-N 3.02Å; P149-Y187 HydrophobicContact CB-CD2 4.29Å; P149-Y187 HydrophobicContact CB-CE2 3.58Å; P149-Y187 HydrophobicContact CG-CE2 4.19Å; P149-F198 HydrophobicContact CG-CD1 3.87Å; P149-F198 HydrophobicContact CG-CE1 3.82Å; P149-F198 HydrophobicContact CG-CG 4.43Å; P149-F198 HydrophobicContact CG-CZ 4.32Å |
| 150 | V | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58.4 | -48.3 | 173.3 | 166 | 0 | 0 | 0 | 0 | 110.8 | L98 M133 L146 L148 S154 | L98-V150 HydrophobicContact CD2-CG1 4.41Å; M133-V150 HydrophobicContact CB-CG2 4.07Å; M133-V150 HydrophobicContact CE-CB 4.46Å; M133-V150 HydrophobicContact CE-CG2 3.89Å; M133-V150 HydrophobicContact SD-CG2 3.97Å; L146-V150 HydrophobicContact CG-CG2 4.23Å; L146-V150 WeakPolarHBondContact O-CB 3.21Å; L146-V150 VanDerWaalsContact O-CG2 3.23Å; L146-V150 WeakPolarHBondContact O-CG2 3.46Å; L146-V150 PolarHBondContact O-N 3.18Å; L148-V150 VanDerWaalsContact C-N 3.29Å; L148-V150 PolarHBondContact O-N 3.13Å; V150-S154 WeakPolarHBondContact O-CB 3.49Å; V150-S154 PolarHBondContact O-N 2.88Å; V150-S154 PolarHBondContact O-OG 3.03Å |
| 151 | C | 98.9 | Very high | 98.7 | Very high | 37 Ų | 37 | 51.5 Ų | 51.5 | 25% | 0.25 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.2 | -47.7 | 174.1 | -71.7 | 0 | 0 | 0 | 0 | 111.4 | V102 L147 L148 P149 M153 S154 M155 | V102-C151 HydrophobicContact CG2-CB 4.41Å; L147-C151 WeakPolarHBondContact O-CB 3.26Å; L147-C151 PolarHBondContact O-N 3.17Å; L147-C151 PolarHBondContact O-SG 3.21Å; L148-C151 PolarHBondContact O-N 3.07Å; P149-C151 PolarHBondContact O-N 3.38Å; C151-M153 PolarHBondContact O-N 3.44Å; C151-S154 PolarHBondContact O-N 2.94Å; C151-M155 WeakPolarHBondContact O-CG 3.38Å; C151-M155 PolarHBondContact O-N 3.17Å |
| 152 | A | 98.8 | Very high | 98.7 | Very high | 43 Ų | 43 | 49.7 Ų | 49.7 | 36% | 0.355 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -56.7 | -51.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L148 P149 M155 | L148-A152 PolarHBondContact O-N 3.33Å; P149-A152 PolarHBondContact O-N 3.44Å; A152-M155 PolarHBondContact O-N 2.72Å |
| 153 | M | 98.8 | Very high | 98.7 | Very high | 21 Ų | 21 | 47 Ų | 47 | 10% | 0.103 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -69 | -36.2 | -179.4 | -62.1 | -48.2 | -56.3 | 0 | 0 | 111.8 | V129 M133 P149 C151 M155 T156 C157 A183 Y187 | V129-M153 HydrophobicContact CG1-CB 3.63Å; M133-M153 HydrophobicContact CE-CG 4.08Å; M133-M153 HydrophobicContact SD-CB 3.95Å; M133-M153 HydrophobicContact SD-CG 3.99Å; P149-M153 WeakPolarHBondContact O-CB 3.35Å; P149-M153 WeakPolarHBondContact O-CG 3.29Å; P149-M153 PolarHBondContact O-N 3.02Å; C151-M153 PolarHBondContact O-N 3.44Å; M153-M155 VanDerWaalsContact C-N 3.29Å; M153-M155 PolarHBondContact O-N 3.33Å; M153-T156 WeakPolarHBondContact O-CB 3.36Å; M153-T156 PolarHBondContact O-N 3.13Å; M153-T156 PolarHBondContact O-OG1 3.11Å; M153-C157 PolarHBondContact O-N 2.88Å; M153-A183 HydrophobicContact CE-CB 3.83Å; M153-A183 WeakPolarHBondContact CE-O 3.41Å; M153-Y187 HydrophobicContact CG-CD2 4.07Å; M153-Y187 HydrophobicContact CG-CG 4.18Å; M153-Y187 HydrophobicContact SD-CD2 4.42Å |
| 154 | S | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.7 | -32.5 | 176.3 | -61.1 | 0 | 0 | 0 | 0 | 113.2 | G99 S103 V150 C151 T156 C157 P158 | G99-S154 WeakPolarHBondContact CA-OG 3.48Å; S103-S154 WeakPolarHBondContact CB-O 3.27Å; S103-S154 PolarHBondContact OG-O 3.21Å; V150-S154 WeakPolarHBondContact O-CB 3.49Å; V150-S154 PolarHBondContact O-N 2.88Å; V150-S154 PolarHBondContact O-OG 3.03Å; C151-S154 PolarHBondContact O-N 2.94Å; S154-T156 PolarHBondContact O-N 3.49Å; S154-C157 PolarHBondContact O-N 3.41Å; S154-P158 WeakPolarHBondContact O-CD 3.38Å |
| 155 | M | 98.8 | Very high | 98.6 | Very high | 82 Ų | 82 | 41.9 Ų | 41.9 | 40% | 0.404 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -67.1 | -23.8 | 172.2 | -69.4 | -174.8 | -68.3 | 0 | 0 | 112.7 | V102 M106 C151 A152 M153 P158 | V102-M155 HydrophobicContact CG1-CG 3.54Å; M106-M155 HydrophobicContact CB-CG 4.44Å; M106-M155 HydrophobicContact CG-CB 4.13Å; M106-M155 HydrophobicContact CG-CG 4.4Å; M106-M155 WeakPolarHBondContact CG-O 3.48Å; M106-M155 HydrophobicContact SD-CB 4.47Å; M106-M155 HydrophobicContact SD-CG 4.48Å; C151-M155 WeakPolarHBondContact O-CG 3.38Å; C151-M155 PolarHBondContact O-N 3.17Å; A152-M155 PolarHBondContact O-N 2.72Å; M153-M155 VanDerWaalsContact C-N 3.29Å; M153-M155 PolarHBondContact O-N 3.33Å; M155-P158 WeakPolarHBondContact O-CD 3.48Å |
| 156 | T | 98.8 | Very high | 98.6 | Very high | 35 Ų | 35 | 37.3 Ų | 37.3 | 22% | 0.215 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -79.2 | -24.4 | 176.4 | 74.7 | 0 | 0 | 0 | 0 | 112.9 | M153 S154 I159 F160 | M153-T156 WeakPolarHBondContact O-CB 3.36Å; M153-T156 PolarHBondContact O-N 3.13Å; M153-T156 PolarHBondContact O-OG1 3.11Å; S154-T156 PolarHBondContact O-N 3.49Å; T156-I159 WeakPolarHBondContact O-CA 3.36Å; T156-I159 WeakPolarHBondContact O-CB 3.38Å; T156-I159 PolarHBondContact O-N 3.39Å; T156-F160 WeakPolarHBondContact O-CD2 3.49Å; T156-F160 PolarHBondContact O-N 2.73Å; T156-F160 WeakPolarHBondContact OG1-CE2 3.41Å |
| 157 | C | 98.8 | Very high | 98.5 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.007 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58.5 | -41.3 | -175 | -64.3 | 0 | 0 | 0 | 0 | 114.1 | S103 N125 A126 M153 S154 I159 F160 S161 | S103-C157 WeakPolarHBondContact OG-CB 3.49Å; N125-C157 HydrophobicContact CB-CB 4.23Å; A126-C157 HydrophobicContact CB-CB 4.19Å; M153-C157 PolarHBondContact O-N 2.88Å; S154-C157 PolarHBondContact O-N 3.41Å; C157-I159 VanDerWaalsContact C-N 3.3Å; C157-I159 PolarHBondContact O-N 3.33Å; C157-F160 PolarHBondContact O-N 3.12Å; C157-S161 VanDerWaalsContact O-CB 3.25Å; C157-S161 WeakPolarHBondContact O-CB 3.4Å; C157-S161 PolarHBondContact O-N 3.48Å; C157-S161 PolarHBondContact O-OG 2.84Å |
| 158 | P | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -67.5 | -31.2 | 175.3 | -23.1 | 37.3 | 0 | 0 | 0 | 112.8 | S103 M106 A107 L110 Y122 S154 M155 S161 S162 | S103-P158 VanDerWaalsContact O-CG 3.3Å; S103-P158 WeakPolarHBondContact O-CG 3.3Å; S103-P158 VanDerWaalsContact OG-CD 3.27Å; S103-P158 WeakPolarHBondContact OG-CD 3.26Å; S103-P158 WeakPolarHBondContact OG-CG 3.34Å; M106-P158 HydrophobicContact CB-CG 4.16Å; M106-P158 HydrophobicContact CG-CG 4.34Å; A107-P158 HydrophobicContact CB-CB 4.11Å; A107-P158 HydrophobicContact CB-CG 4.12Å; L110-P158 HydrophobicContact CD1-CB 4.33Å; Y122-P158 HydrophobicContact CD1-CB 3.69Å; Y122-P158 HydrophobicContact CD1-CG 4.26Å; Y122-P158 HydrophobicContact CE1-CB 3.95Å; S154-P158 WeakPolarHBondContact O-CD 3.38Å; M155-P158 WeakPolarHBondContact O-CD 3.48Å; P158-S161 PolarHBondContact O-N 3.48Å; P158-S162 VanDerWaalsContact O-CB 3.27Å; P158-S162 WeakPolarHBondContact O-CB 3.37Å; P158-S162 PolarHBondContact O-N 2.82Å |
| 159 | I | 98.8 | Very high | 98.4 | Very high | 92 Ų | 92 | 40.2 Ų | 40.2 | 47% | 0.472 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -65.3 | -52.9 | 176.1 | -56.4 | 174.1 | 0 | 0 | 0 | 109.5 | L110 T156 C157 S161 S162 A163 | L110-I159 HydrophobicContact CD1-CG1 3.83Å; T156-I159 WeakPolarHBondContact O-CA 3.36Å; T156-I159 WeakPolarHBondContact O-CB 3.38Å; T156-I159 PolarHBondContact O-N 3.39Å; C157-I159 VanDerWaalsContact C-N 3.3Å; C157-I159 PolarHBondContact O-N 3.33Å; I159-S161 VanDerWaalsContact C-N 3.34Å; I159-S161 PolarHBondContact O-N 3.37Å; I159-S162 PolarHBondContact O-N 2.98Å; I159-A163 WeakPolarHBondContact O-CB 3.4Å; I159-A163 PolarHBondContact O-N 2.95Å |
| 160 | F | 98.7 | Very high | 98.3 | Very high | 52 Ų | 52 | 47.1 Ų | 47.1 | 23% | 0.228 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -58.7 | -45.2 | 175 | -76.5 | -60.1 | 0 | 0 | 0 | 111.8 | T156 C157 S162 A163 L164 P179 M182 A183 M186 | T156-F160 WeakPolarHBondContact O-CD2 3.49Å; T156-F160 PolarHBondContact O-N 2.73Å; T156-F160 WeakPolarHBondContact OG1-CE2 3.41Å; C157-F160 PolarHBondContact O-N 3.12Å; F160-S162 PolarHBondContact O-N 3.37Å; F160-A163 PolarHBondContact O-N 3.47Å; F160-L164 VanDerWaalsContact O-CB 3.29Å; F160-L164 WeakPolarHBondContact O-CB 3.46Å; F160-L164 WeakPolarHBondContact O-CD1 3.22Å; F160-L164 VanDerWaalsContact O-CG 3.3Å; F160-L164 WeakPolarHBondContact O-CG 3.48Å; F160-L164 PolarHBondContact O-N 3.34Å; F160-P179 HydrophobicContact CB-CB 3.7Å; F160-P179 HydrophobicContact CB-CG 4.4Å; F160-M182 HydrophobicContact CD1-CB 4.24Å; F160-M182 HydrophobicContact CD1-SD 3.98Å; F160-M182 HydrophobicContact CE1-CB 4.1Å; F160-M182 HydrophobicContact CE1-SD 4.26Å; F160-M182 HydrophobicContact CZ-CB 4.27Å; F160-A183 HydrophobicContact CD2-CB 4.29Å; F160-A183 HydrophobicContact CE2-CB 4.07Å; F160-M186 HydrophobicContact CZ-SD 4.47Å |
| 161 | S | 98.4 | Very high | 98.2 | Very high | 6 Ų | 6 | 55.3 Ų | 55.3 | 4% | 0.042 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.2 | -47 | 179.7 | -58.7 | 0 | 0 | 0 | 0 | 111.5 | C157 P158 I159 N165 P179 | C157-S161 VanDerWaalsContact O-CB 3.25Å; C157-S161 WeakPolarHBondContact O-CB 3.4Å; C157-S161 PolarHBondContact O-N 3.48Å; C157-S161 PolarHBondContact O-OG 2.84Å; P158-S161 PolarHBondContact O-N 3.48Å; I159-S161 VanDerWaalsContact C-N 3.34Å; I159-S161 PolarHBondContact O-N 3.37Å; S161-N165 WeakPolarHBondContact O-CB 3.47Å; S161-N165 PolarHBondContact O-N 2.98Å; S161-P179 VanDerWaalsContact OG-CG 3.32Å; S161-P179 WeakPolarHBondContact OG-CG 3.34Å |
| 162 | S | 98.4 | Very high | 98.2 | Very high | 44 Ų | 44 | 56.1 Ų | 56.1 | 31% | 0.308 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.8 | -46.2 | 178.2 | 178.6 | 0 | 0 | 0 | 0 | 111.9 | Q112 P158 I159 F160 N165 S166 | Q112-S162 PolarHBondContact OE1-OG 3.16Å; P158-S162 VanDerWaalsContact O-CB 3.27Å; P158-S162 WeakPolarHBondContact O-CB 3.37Å; P158-S162 PolarHBondContact O-N 2.82Å; I159-S162 PolarHBondContact O-N 2.98Å; F160-S162 PolarHBondContact O-N 3.37Å; S162-N165 PolarHBondContact O-N 2.74Å; S162-S166 WeakPolarHBondContact O-CB 3.32Å; S162-S166 PolarHBondContact O-N 3.36Å |
| 163 | A | 98.5 | Very high | 98.2 | Very high | 56 Ų | 56 | 54.2 Ų | 54.2 | 46% | 0.463 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -62.2 | -48.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | I159 F160 N165 S166 M167 | I159-A163 WeakPolarHBondContact O-CB 3.4Å; I159-A163 PolarHBondContact O-N 2.95Å; F160-A163 PolarHBondContact O-N 3.47Å; A163-N165 PolarHBondContact O-N 2.97Å; A163-S166 WeakPolarHBondContact O-CB 3.44Å; A163-S166 PolarHBondContact O-N 3.27Å; A163-M167 PolarHBondContact O-N 3.49Å |
| 164 | L | 98.4 | Very high | 98.2 | Very high | 23 Ų | 23 | 54.1 Ų | 54.1 | 12% | 0.12 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.2 | -40.8 | 177.3 | -72.7 | 165.8 | 0 | 0 | 0 | 111.6 | F160 S166 M167 L168 V175 L178 P179 M182 | F160-L164 VanDerWaalsContact O-CB 3.29Å; F160-L164 WeakPolarHBondContact O-CB 3.46Å; F160-L164 WeakPolarHBondContact O-CD1 3.22Å; F160-L164 VanDerWaalsContact O-CG 3.3Å; F160-L164 WeakPolarHBondContact O-CG 3.48Å; F160-L164 PolarHBondContact O-N 3.34Å; L164-S166 VanDerWaalsContact C-N 3.33Å; L164-S166 PolarHBondContact O-N 3.35Å; L164-M167 PolarHBondContact O-N 2.88Å; L164-M167 VanDerWaalsContact O-N 3.15Å; L164-L168 WeakPolarHBondContact O-CB 3.45Å; L164-L168 PolarHBondContact O-N 2.88Å; L164-V175 HydrophobicContact CB-CB 4.18Å; L164-V175 HydrophobicContact CB-CG1 3.69Å; L164-L178 HydrophobicContact CD1-CB 3.64Å; L164-L178 HydrophobicContact CD2-CD1 4.34Å; L164-P179 HydrophobicContact CD1-CG 3.86Å; L164-M182 HydrophobicContact CD1-SD 3.99Å; L164-M182 HydrophobicContact CD2-CE 4.15Å; L164-M182 HydrophobicContact CD2-SD 4.41Å |
| 165 | N | 97.3 | Very high | 98.1 | Very high | 58 Ų | 58 | 54.9 Ų | 54.9 | 31% | 0.31 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -64.7 | -38.1 | 178.1 | -169.4 | 53.8 | 0 | 0 | 0 | 111.2 | S161 S162 A163 M167 S169 V175 | S161-N165 WeakPolarHBondContact O-CB 3.47Å; S161-N165 PolarHBondContact O-N 2.98Å; S162-N165 PolarHBondContact O-N 2.74Å; A163-N165 PolarHBondContact O-N 2.97Å; N165-M167 PolarHBondContact O-N 3.25Å; N165-S169 WeakPolarHBondContact O-CB 3.49Å; N165-S169 PolarHBondContact O-N 3.21Å; N165-S169 PolarHBondContact O-OG 3.23Å; N165-V175 HydrophobicContact CB-CG1 3.8Å; N165-V175 VanDerWaalsContact N-CG1 3.34Å |
| 166 | S | 97.5 | Very high | 98.1 | Very high | 75 Ų | 75 | 51.1 Ų | 51.1 | 52% | 0.524 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -59.4 | -31.3 | 175.1 | -173.6 | 0 | 0 | 0 | 0 | 112.8 | S162 A163 L164 K170 | S162-S166 WeakPolarHBondContact O-CB 3.32Å; S162-S166 PolarHBondContact O-N 3.36Å; A163-S166 WeakPolarHBondContact O-CB 3.44Å; A163-S166 PolarHBondContact O-N 3.27Å; L164-S166 VanDerWaalsContact C-N 3.33Å; L164-S166 PolarHBondContact O-N 3.35Å; S166-K170 WeakPolarHBondContact O-CE 3.35Å |
| 167 | M | 97.7 | Very high | 98.1 | Very high | 120 Ų | 120 | 49.5 Ų | 49.5 | 59% | 0.591 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -84.4 | -58.2 | 176 | -62.7 | -176.6 | 70.6 | 0 | 0 | 111.6 | A163 L164 N165 S169 K170 W171 | A163-M167 PolarHBondContact O-N 3.49Å; L164-M167 PolarHBondContact O-N 2.88Å; L164-M167 VanDerWaalsContact O-N 3.15Å; N165-M167 PolarHBondContact O-N 3.25Å; M167-S169 PolarHBondContact O-N 3.44Å; M167-K170 WeakPolarHBondContact O-CB 3.28Å; M167-K170 PolarHBondContact O-N 2.84Å; M167-W171 WeakPolarHBondContact O-CZ3 3.1Å |
| 168 | L | 97.9 | Very high | 98.1 | Very high | 29 Ų | 29 | 50 Ų | 50 | 15% | 0.152 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -71 | -30.3 | -169.8 | -69.3 | 173.8 | 0 | 0 | 0 | 113.6 | L164 K170 W171 D172 L173 V175 L178 | L164-L168 WeakPolarHBondContact O-CB 3.45Å; L164-L168 PolarHBondContact O-N 2.88Å; L168-K170 PolarHBondContact O-N 3.41Å; L168-W171 CarbonylContact O-C 2.99Å; L168-W171 PolarHBondContact O-N 2.97Å; L168-D172 PolarHBondContact O-N 3.45Å; L168-L173 CarbonylContact C-O 3.57Å; L168-L173 HydrophobicContact CB-CB 4.05Å; L168-L173 WeakPolarHBondContact CB-O 3.39Å; L168-L173 HydrophobicContact CD2-CB 4.31Å; L168-L173 HydrophobicContact CD2-CD1 4.22Å; L168-L173 PolarHBondContact O-N 3.41Å; L168-V175 HydrophobicContact CD1-CG1 4.33Å; L168-L178 HydrophobicContact CD1-CD1 4.05Å |
| 169 | S | 96.6 | Very high | 98.1 | Very high | 55 Ų | 55 | 50 Ų | 50 | 39% | 0.385 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | -64.1 | -21.3 | 176.8 | 64.2 | 0 | 0 | 0 | 0 | 113.1 | N165 M167 W171 D172 | N165-S169 WeakPolarHBondContact O-CB 3.49Å; N165-S169 PolarHBondContact O-N 3.21Å; N165-S169 PolarHBondContact O-OG 3.23Å; M167-S169 PolarHBondContact O-N 3.44Å; S169-W171 PolarHBondContact O-N 2.98Å; S169-D172 WeakPolarHBondContact O-CA 3.48Å; S169-D172 PolarHBondContact O-N 3.23Å |
| 170 | K | 96.9 | Very high | 98.1 | Very high | 161 Ų | 161 | 45.7 Ų | 45.7 | 70% | 0.7 | 24% | 0.242 | S | C | * | . | G | 310 helix | trans | -63.4 | -25.6 | 172.9 | -61.2 | -178.9 | -179.2 | 179.3 | 0 | 112.9 | S166 M167 L168 | S166-K170 WeakPolarHBondContact O-CE 3.35Å; M167-K170 WeakPolarHBondContact O-CB 3.28Å; M167-K170 PolarHBondContact O-N 2.84Å; L168-K170 PolarHBondContact O-N 3.41Å |
| 171 | W | 97.5 | Very high | 98.2 | Very high | 172 Ų | 172 | 43.3 Ų | 43.3 | 65% | 0.652 | 23% | 0.231 | S | C | * | . | G | 310 helix | trans | -105.6 | 12 | 172.5 | -65.6 | -89 | 0 | 0 | 0 | 112.1 | M167 L168 S169 L173 | M167-W171 WeakPolarHBondContact O-CZ3 3.1Å; L168-W171 CarbonylContact O-C 2.99Å; L168-W171 PolarHBondContact O-N 2.97Å; S169-W171 PolarHBondContact O-N 2.98Å; W171-L173 HydrophobicContact CB-CD1 3.89Å; W171-L173 HydrophobicContact CB-CG 4.04Å; W171-L173 PolarHBondContact O-N 2.87Å |
| 172 | D | 97.9 | Very high | 98.2 | Very high | 53 Ų | 53 | 46 Ų | 46 | 28% | 0.283 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55 | 40 | -176 | -174.3 | 59.6 | 0 | 0 | 0 | 111.4 | L168 S169 K361 P363 L364 | L168-D172 PolarHBondContact O-N 3.45Å; S169-D172 WeakPolarHBondContact O-CA 3.48Å; S169-D172 PolarHBondContact O-N 3.23Å; D172-K361 WeakPolarHBondContact O-CE 3.25Å; D172-K361 PolarHBondContact O-NZ 3.1Å; D172-K361 IonicContact OD2-NZ 3.81Å; D172-K361 PolarHBondContact OD2-NZ 3.31Å; D172-P363 WeakPolarHBondContact OD2-CA 3.35Å; D172-L364 VanDerWaalsContact C-CD1 3.42Å; D172-L364 WeakPolarHBondContact O-CD1 3.45Å; D172-L364 WeakPolarHBondContact O-CG 3.13Å; D172-L364 VanDerWaalsContact OD1-CB 3.32Å; D172-L364 WeakPolarHBondContact OD1-CB 3.27Å; D172-L364 WeakPolarHBondContact OD1-CG 3.37Å; D172-L364 PolarHBondContact OD1-N 3.28Å; D172-L364 VanDerWaalsContact OD1-N 3.07Å; D172-L364 PolarHBondContact OD2-N 3.3Å |
| 173 | L | 98.4 | Very high | 98.2 | Very high | 4 Ų | 4 | 43.9 Ų | 43.9 | 2% | 0.021 | 23% | 0.229 | C | C | . | . | trans | -105.4 | 140.7 | 178.8 | -66.7 | 170.6 | 0 | 0 | 0 | 111.4 | L168 W171 L347 L350 I351 | L168-L173 CarbonylContact C-O 3.57Å; L168-L173 HydrophobicContact CB-CB 4.05Å; L168-L173 WeakPolarHBondContact CB-O 3.39Å; L168-L173 HydrophobicContact CD2-CB 4.31Å; L168-L173 HydrophobicContact CD2-CD1 4.22Å; L168-L173 PolarHBondContact O-N 3.41Å; W171-L173 HydrophobicContact CB-CD1 3.89Å; W171-L173 HydrophobicContact CB-CG 4.04Å; W171-L173 PolarHBondContact O-N 2.87Å; L173-L347 HydrophobicContact CB-CD2 4.02Å; L173-L347 HydrophobicContact CD1-CD2 4.23Å; L173-L347 HydrophobicContact CD2-CD2 4.31Å; L173-L347 HydrophobicContact CG-CD2 4.42Å; L173-L350 HydrophobicContact CD2-CB 3.63Å; L173-L350 HydrophobicContact CD2-CD1 4.33Å; L173-I351 HydrophobicContact CD1-CD1 3.81Å; L173-I351 HydrophobicContact CD1-CG1 3.54Å; L173-I351 HydrophobicContact CD2-CG1 4.29Å | ||
| 174 | P | 98.2 | Very high | 98.2 | Very high | 18 Ų | 18 | 41.3 Ų | 41.3 | 12% | 0.117 | 21% | 0.208 | C | C | . | . | trans | -76.7 | 157.7 | 176.2 | 34.7 | -35.3 | 0 | 0 | 0 | 110.7 | F176 F301 L350 L364 | P174-F176 VanDerWaalsContact C-N 3.32Å; P174-F176 HydrophobicContact CB-CD1 4.24Å; P174-F176 HydrophobicContact CB-CE1 4.22Å; P174-F176 HydrophobicContact CG-CD1 3.82Å; P174-F176 HydrophobicContact CG-CD2 4.2Å; P174-F176 HydrophobicContact CG-CE1 3.41Å; P174-F176 VanDerWaalsContact CG-CE1 3.41Å; P174-F176 HydrophobicContact CG-CE2 3.81Å; P174-F176 HydrophobicContact CG-CG 4.21Å; P174-F176 HydrophobicContact CG-CZ 3.4Å; P174-F301 HydrophobicContact CB-CE1 3.88Å; P174-F301 HydrophobicContact CB-CZ 4.23Å; P174-F301 HydrophobicContact CG-CD1 4.03Å; P174-F301 HydrophobicContact CG-CE1 3.76Å; P174-F301 HydrophobicContact CG-CZ 4.13Å; P174-L350 HydrophobicContact CG-CD1 4.35Å; P174-L364 HydrophobicContact CB-CD2 4.26Å; P174-L364 HydrophobicContact CG-CD2 4.46Å | ||
| 175 | V | 98.4 | Very high | 98.2 | Very high | 16 Ų | 16 | 41 Ų | 41 | 10% | 0.097 | 21% | 0.208 | C | C | . | . | trans | -78 | -17.3 | 177.1 | -57.8 | 0 | 0 | 0 | 0 | 113.7 | L164 N165 L168 L178 P179 | L164-V175 HydrophobicContact CB-CB 4.18Å; L164-V175 HydrophobicContact CB-CG1 3.69Å; N165-V175 HydrophobicContact CB-CG1 3.8Å; N165-V175 VanDerWaalsContact N-CG1 3.34Å; L168-V175 HydrophobicContact CD1-CG1 4.33Å; V175-L178 VanDerWaalsContact O-CB 3.27Å; V175-L178 WeakPolarHBondContact O-CB 3.32Å; V175-L178 WeakPolarHBondContact O-CG 3.42Å; V175-L178 PolarHBondContact O-N 3.02Å; V175-P179 HydrophobicContact CB-CG 4.5Å; V175-P179 HydrophobicContact CG2-CG 4.25Å | ||
| 176 | F | 98.8 | Very high | 98.3 | Very high | 3 Ų | 3 | 44 Ų | 44 | 1% | 0.013 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 47.3 | -146.9 | -173.7 | -65.6 | -46.6 | 0 | 0 | 0 | 112.4 | F71 Y124 N125 P174 L178 P179 A296 F301 F342 T346 L347 L350 | F71-F176 AromaticContact CE1-CD1 3.82Å; F71-F176 HydrophobicContact CE1-CD1 3.82Å; F71-F176 HydrophobicContact CE1-CE1 4.07Å; F71-F176 HydrophobicContact CZ-CD1 4.42Å; Y124-F176 WeakPolarHBondContact CE2-O 3.34Å; Y124-F176 PolarHBondContact OH-O 3.11Å; N125-F176 PolarHBondContact ND2-O 3.04Å; P174-F176 VanDerWaalsContact C-N 3.32Å; P174-F176 HydrophobicContact CB-CD1 4.24Å; P174-F176 HydrophobicContact CB-CE1 4.22Å; P174-F176 HydrophobicContact CG-CD1 3.82Å; P174-F176 HydrophobicContact CG-CD2 4.2Å; P174-F176 HydrophobicContact CG-CE1 3.41Å; P174-F176 VanDerWaalsContact CG-CE1 3.41Å; P174-F176 HydrophobicContact CG-CE2 3.81Å; P174-F176 HydrophobicContact CG-CG 4.21Å; P174-F176 HydrophobicContact CG-CZ 3.4Å; F176-L178 PolarHBondContact O-N 2.84Å; F176-P179 WeakPolarHBondContact O-CD 3.35Å; F176-A296 HydrophobicContact CE1-CB 4.41Å; F176-F301 HydrophobicContact CD1-CE2 4.46Å; F176-F301 AromaticContact CE1-CD2 3.91Å; F176-F301 HydrophobicContact CE1-CD2 3.91Å; F176-F301 AromaticContact CE1-CE2 3.52Å; F176-F301 HydrophobicContact CE1-CE2 3.52Å; F176-F301 AromaticContact CE1-CZ 3.88Å; F176-F301 HydrophobicContact CE1-CZ 3.88Å; F176-F301 HydrophobicContact CZ-CD2 4.25Å; F176-F301 HydrophobicContact CZ-CE2 4.3Å; F176-F342 HydrophobicContact CB-CE1 3.81Å; F176-F342 HydrophobicContact CB-CZ 3.92Å; F176-F342 HydrophobicContact CD1-CE1 4.32Å; F176-F342 HydrophobicContact CD1-CE2 4.49Å; F176-F342 AromaticContact CD1-CZ 3.59Å; F176-F342 HydrophobicContact CD1-CZ 3.59Å; F176-F342 HydrophobicContact CD2-CZ 4.2Å; F176-F342 HydrophobicContact CE1-CZ 4.03Å; F176-F342 HydrophobicContact CG-CE1 4.1Å; F176-F342 AromaticContact CG-CZ 3.67Å; F176-F342 HydrophobicContact CG-CZ 3.67Å; F176-T346 HydrophobicContact CE1-CG2 4.37Å; F176-T346 HydrophobicContact CE2-CG2 3.62Å; F176-T346 HydrophobicContact CZ-CG2 3.4Å; F176-L347 HydrophobicContact CD2-CD1 4.49Å; F176-L347 HydrophobicContact CD2-CD2 4Å; F176-L347 HydrophobicContact CD2-CG 3.86Å; F176-L347 HydrophobicContact CE2-CD2 3.86Å; F176-L347 HydrophobicContact CE2-CG 3.89Å; F176-L350 HydrophobicContact CE2-CD1 4.09Å; F176-L350 HydrophobicContact CZ-CD1 3.71Å |
| 177 | T | 98.8 | Very high | 98.4 | Very high | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.006 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | 19.1 | 178 | 57.2 | 0 | 0 | 0 | 0 | 112.5 | Y124 N125 L128 P179 F180 N181 T339 F342 C343 | Y124-T177 HydrophobicContact CD2-CG2 4.31Å; Y124-T177 HydrophobicContact CE2-CG2 4.08Å; N125-T177 VanDerWaalsContact OD1-CA 3.28Å; N125-T177 WeakPolarHBondContact OD1-CA 3.06Å; L128-T177 HydrophobicContact CD1-CG2 3.55Å; T177-P179 VanDerWaalsContact C-CD 3.48Å; T177-F180 WeakPolarHBondContact O-CB 3.15Å; T177-F180 PolarHBondContact O-N 3.4Å; T177-N181 PolarHBondContact O-N 3.29Å; T177-N181 PolarHBondContact O-ND2 3.35Å; T177-N181 PolarHBondContact OG1-ND2 3.46Å; T177-T339 PolarHBondContact OG1-OG1 3.04Å; T177-F342 HydrophobicContact CG2-CE1 4.42Å; T177-C343 PolarHBondContact OG1-SG 3.34Å |
| 178 | L | 98.9 | Very high | 98.4 | Very high | 12 Ų | 12 | 35.9 Ų | 35.9 | 6% | 0.063 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -56.1 | -42.8 | 174.3 | -70.2 | 173.8 | 0 | 0 | 0 | 112.6 | L164 L168 V175 F176 F180 N181 M182 W340 C343 L347 | L164-L178 HydrophobicContact CD1-CB 3.64Å; L164-L178 HydrophobicContact CD2-CD1 4.34Å; L168-L178 HydrophobicContact CD1-CD1 4.05Å; V175-L178 VanDerWaalsContact O-CB 3.27Å; V175-L178 WeakPolarHBondContact O-CB 3.32Å; V175-L178 WeakPolarHBondContact O-CG 3.42Å; V175-L178 PolarHBondContact O-N 3.02Å; F176-L178 PolarHBondContact O-N 2.84Å; L178-F180 VanDerWaalsContact C-N 3.33Å; L178-F180 PolarHBondContact O-N 2.7Å; L178-N181 PolarHBondContact O-N 3.09Å; L178-M182 WeakPolarHBondContact O-CB 3.37Å; L178-M182 VanDerWaalsContact O-CG 3.32Å; L178-M182 WeakPolarHBondContact O-CG 3.38Å; L178-M182 PolarHBondContact O-N 3.42Å; L178-W340 HydrophobicContact CD2-CE3 3.87Å; L178-W340 HydrophobicContact CD2-CH2 4.31Å; L178-W340 HydrophobicContact CD2-CZ3 3.47Å; L178-W340 VanDerWaalsContact CD2-CZ3 3.47Å; L178-C343 HydrophobicContact CD2-CB 3.59Å; L178-C343 HydrophobicContact CG-CB 3.93Å; L178-L347 HydrophobicContact CD1-CD1 3.83Å |
| 179 | P | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58.6 | -42.7 | 175.8 | -22.9 | 32.5 | 0 | 0 | 0 | 113.1 | N125 F160 S161 L164 V175 F176 T177 A183 | N125-P179 HydrophobicContact CB-CB 4.03Å; N125-P179 WeakPolarHBondContact ND2-CG 3.31Å; N125-P179 WeakPolarHBondContact OD1-CD 3.13Å; F160-P179 HydrophobicContact CB-CB 3.7Å; F160-P179 HydrophobicContact CB-CG 4.4Å; S161-P179 VanDerWaalsContact OG-CG 3.32Å; S161-P179 WeakPolarHBondContact OG-CG 3.34Å; L164-P179 HydrophobicContact CD1-CG 3.86Å; V175-P179 HydrophobicContact CB-CG 4.5Å; V175-P179 HydrophobicContact CG2-CG 4.25Å; F176-P179 WeakPolarHBondContact O-CD 3.35Å; T177-P179 VanDerWaalsContact C-CD 3.48Å; P179-A183 VanDerWaalsContact O-CB 3.29Å; P179-A183 WeakPolarHBondContact O-CB 3.42Å; P179-A183 PolarHBondContact O-N 3.39Å |
| 180 | F | 98.9 | Very high | 98.5 | Very high | 2 Ų | 2 | 39.2 Ų | 39.2 | 1% | 0.009 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.5 | -52.2 | 174 | 152.2 | -106.8 | 0 | 0 | 0 | 111.6 | N125 L128 V129 L132 T177 L178 M182 A183 L184 C338 T339 | N125-F180 HydrophobicContact CB-CB 4.12Å; N125-F180 VanDerWaalsContact OD1-CB 3.27Å; N125-F180 WeakPolarHBondContact OD1-CB 3.32Å; N125-F180 PolarHBondContact OD1-N 2.95Å; L128-F180 HydrophobicContact CB-CB 4.2Å; L128-F180 HydrophobicContact CB-CD1 4.13Å; L128-F180 HydrophobicContact CB-CD2 3.28Å; L128-F180 HydrophobicContact CB-CE1 4.37Å; L128-F180 HydrophobicContact CB-CE2 3.56Å; L128-F180 HydrophobicContact CB-CG 3.58Å; L128-F180 HydrophobicContact CB-CZ 4.11Å; L128-F180 HydrophobicContact CD1-CB 4.26Å; L128-F180 HydrophobicContact CD1-CD1 3.78Å; L128-F180 HydrophobicContact CD1-CD2 4.42Å; L128-F180 HydrophobicContact CD1-CE1 4.24Å; L128-F180 HydrophobicContact CD1-CG 3.87Å; L128-F180 HydrophobicContact CG-CD2 4.49Å; L128-F180 HydrophobicContact CG-CG 4.41Å; V129-F180 HydrophobicContact CB-CD2 4.49Å; V129-F180 HydrophobicContact CG2-CB 4.44Å; V129-F180 HydrophobicContact CG2-CD2 3.79Å; L132-F180 HydrophobicContact CB-CE2 4.06Å; L132-F180 HydrophobicContact CB-CZ 4.27Å; L132-F180 HydrophobicContact CD2-CE2 4.28Å; L132-F180 HydrophobicContact CD2-CZ 4.21Å; L132-F180 HydrophobicContact CG-CE2 4.18Å; L132-F180 HydrophobicContact CG-CZ 3.98Å; T177-F180 WeakPolarHBondContact O-CB 3.15Å; T177-F180 PolarHBondContact O-N 3.4Å; L178-F180 VanDerWaalsContact C-N 3.33Å; L178-F180 PolarHBondContact O-N 2.7Å; F180-M182 VanDerWaalsContact C-N 3.35Å; F180-M182 PolarHBondContact O-N 2.98Å; F180-A183 PolarHBondContact O-N 3Å; F180-L184 HydrophobicContact CD2-CB 4.35Å; F180-L184 HydrophobicContact CE2-CB 3.98Å; F180-L184 HydrophobicContact CE2-CD2 3.59Å; F180-L184 HydrophobicContact CE2-CG 4.34Å; F180-L184 HydrophobicContact CZ-CD2 3.64Å; F180-L184 WeakPolarHBondContact O-CB 3.44Å; F180-L184 PolarHBondContact O-N 2.93Å; F180-C338 HydrophobicContact CE1-CB 3.91Å; F180-C338 HydrophobicContact CZ-CB 4.03Å; F180-T339 WeakPolarHBondContact CE1-OG1 3.48Å |
| 181 | N | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.4 | -40.8 | -175.3 | -75.9 | -66.6 | 0 | 0 | 0 | 111.4 | T177 L178 S185 C338 T339 W340 | T177-N181 PolarHBondContact O-N 3.29Å; T177-N181 PolarHBondContact O-ND2 3.35Å; T177-N181 PolarHBondContact OG1-ND2 3.46Å; L178-N181 PolarHBondContact O-N 3.09Å; N181-S185 VanDerWaalsContact O-CB 3.25Å; N181-S185 WeakPolarHBondContact O-CB 3.14Å; N181-S185 PolarHBondContact O-N 3.3Å; N181-S185 PolarHBondContact O-OG 3Å; N181-C338 WeakPolarHBondContact OD1-CB 3.45Å; N181-T339 VanDerWaalsContact ND2-C 3.29Å; N181-T339 PolarHBondContact ND2-OG1 2.96Å; N181-T339 PolarHBondContact OD1-N 3.32Å; N181-T339 PolarHBondContact OD1-OG1 3.13Å; N181-W340 HydrophobicContact CB-CD2 3.74Å; N181-W340 VanDerWaalsContact CB-CE2 3.49Å; N181-W340 HydrophobicContact CB-CE3 4.42Å; N181-W340 HydrophobicContact CB-CG 3.94Å; N181-W340 HydrophobicContact CB-CZ2 3.95Å; N181-W340 PolarHBondContact ND2-N 3.06Å; N181-W340 PolarHBondContact OD1-N 2.94Å; N181-W340 VanDerWaalsContact OD1-N 3.12Å |
| 182 | M | 98.9 | Very high | 98.6 | Very high | 62 Ų | 62 | 25.6 Ų | 25.6 | 31% | 0.305 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -61.7 | -48.2 | 173.6 | -73.3 | -179.4 | 164.9 | 0 | 0 | 112 | F160 L164 L178 F180 M186 W340 | F160-M182 HydrophobicContact CD1-CB 4.24Å; F160-M182 HydrophobicContact CD1-SD 3.98Å; F160-M182 HydrophobicContact CE1-CB 4.1Å; F160-M182 HydrophobicContact CE1-SD 4.26Å; F160-M182 HydrophobicContact CZ-CB 4.27Å; L164-M182 HydrophobicContact CD1-SD 3.99Å; L164-M182 HydrophobicContact CD2-CE 4.15Å; L164-M182 HydrophobicContact CD2-SD 4.41Å; L178-M182 WeakPolarHBondContact O-CB 3.37Å; L178-M182 VanDerWaalsContact O-CG 3.32Å; L178-M182 WeakPolarHBondContact O-CG 3.38Å; L178-M182 PolarHBondContact O-N 3.42Å; F180-M182 VanDerWaalsContact C-N 3.35Å; F180-M182 PolarHBondContact O-N 2.98Å; M182-M186 WeakPolarHBondContact O-CB 3.3Å; M182-M186 PolarHBondContact O-N 2.76Å; M182-W340 HydrophobicContact CE-CH2 4.07Å; M182-W340 HydrophobicContact CG-CH2 3.59Å; M182-W340 HydrophobicContact CG-CZ2 3.84Å |
| 183 | A | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.3 | -48.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | V129 M153 F160 P179 F180 M186 Y187 | V129-A183 HydrophobicContact CG2-CB 3.98Å; M153-A183 HydrophobicContact CE-CB 3.83Å; M153-A183 WeakPolarHBondContact CE-O 3.41Å; F160-A183 HydrophobicContact CD2-CB 4.29Å; F160-A183 HydrophobicContact CE2-CB 4.07Å; P179-A183 VanDerWaalsContact O-CB 3.29Å; P179-A183 WeakPolarHBondContact O-CB 3.42Å; P179-A183 PolarHBondContact O-N 3.39Å; F180-A183 PolarHBondContact O-N 3Å; A183-M186 PolarHBondContact O-N 3Å; A183-Y187 WeakPolarHBondContact O-CB 3.3Å; A183-Y187 PolarHBondContact O-N 3.49Å |
| 184 | L | 98.9 | Very high | 98.6 | Very high | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.01 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -67.9 | -44.6 | -177.9 | -174 | 68.6 | 0 | 0 | 0 | 112 | L132 M133 F136 F180 M186 Y187 L188 C338 | L132-L184 HydrophobicContact CB-CD1 4.45Å; L132-L184 HydrophobicContact CB-CD2 3.69Å; L132-L184 HydrophobicContact CG-CD2 4.43Å; M133-L184 HydrophobicContact CG-CD1 3.72Å; F136-L184 HydrophobicContact CD2-CD2 4.16Å; F136-L184 HydrophobicContact CE2-CD2 4.17Å; F180-L184 HydrophobicContact CD2-CB 4.35Å; F180-L184 HydrophobicContact CE2-CB 3.98Å; F180-L184 HydrophobicContact CE2-CD2 3.59Å; F180-L184 HydrophobicContact CE2-CG 4.34Å; F180-L184 HydrophobicContact CZ-CD2 3.64Å; F180-L184 WeakPolarHBondContact O-CB 3.44Å; F180-L184 PolarHBondContact O-N 2.93Å; L184-M186 VanDerWaalsContact C-N 3.32Å; L184-M186 PolarHBondContact O-N 3.42Å; L184-Y187 HydrophobicContact CD1-CD1 4.41Å; L184-Y187 PolarHBondContact O-N 3.35Å; L184-L188 HydrophobicContact CD1-CD1 4.07Å; L184-L188 HydrophobicContact CD1-CG 4.04Å; L184-L188 HydrophobicContact CD2-CD1 4.3Å; L184-L188 HydrophobicContact CG-CD1 3.84Å; L184-L188 HydrophobicContact CG-CG 4.17Å; L184-L188 WeakPolarHBondContact O-CB 3.37Å; L184-L188 WeakPolarHBondContact O-CG 3.4Å; L184-L188 PolarHBondContact O-N 3.43Å; L184-C338 VanDerWaalsContact CD2-SG 3.56Å |
| 185 | S | 98.8 | Very high | 98.6 | Very high | 18 Ų | 18 | 36.1 Ų | 36.1 | 13% | 0.126 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.6 | -44.6 | 175.1 | -65.3 | 0 | 0 | 0 | 0 | 111 | N181 Y187 L188 S189 W340 | N181-S185 VanDerWaalsContact O-CB 3.25Å; N181-S185 WeakPolarHBondContact O-CB 3.14Å; N181-S185 PolarHBondContact O-N 3.3Å; N181-S185 PolarHBondContact O-OG 3Å; S185-Y187 PolarHBondContact O-N 3.09Å; S185-L188 PolarHBondContact O-N 3.19Å; S185-S189 WeakPolarHBondContact O-CB 3.28Å; S185-S189 PolarHBondContact O-N 3.28Å; S185-S189 PolarHBondContact O-OG 3.41Å; S185-W340 PolarHBondContact OG-NE1 2.94Å; S185-W340 VanDerWaalsContact OG-NE1 3.09Å |
| 186 | M | 98.8 | Very high | 98.6 | Very high | 119 Ų | 119 | 40.4 Ų | 40.4 | 59% | 0.586 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -59.1 | -46.1 | 175.4 | 179.8 | -178 | 176.4 | 0 | 0 | 112.2 | F160 M182 A183 L184 A190 | F160-M186 HydrophobicContact CZ-SD 4.47Å; M182-M186 WeakPolarHBondContact O-CB 3.3Å; M182-M186 PolarHBondContact O-N 2.76Å; A183-M186 PolarHBondContact O-N 3Å; L184-M186 VanDerWaalsContact C-N 3.32Å; L184-M186 PolarHBondContact O-N 3.42Å; M186-A190 VanDerWaalsContact O-CB 3.25Å; M186-A190 WeakPolarHBondContact O-CB 3.41Å; M186-A190 PolarHBondContact O-N 3.2Å |
| 187 | Y | 98.8 | Very high | 98.5 | Very high | 16 Ų | 16 | 47.4 Ų | 47.4 | 6% | 0.063 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.8 | -51.2 | 178.8 | 169.6 | -104.7 | 0 | 0 | 0 | 112.1 | M133 P149 M153 A183 L184 S185 S189 A190 T191 | M133-Y187 HydrophobicContact CB-CE1 4.42Å; M133-Y187 HydrophobicContact CE-CD1 3.89Å; M133-Y187 HydrophobicContact CE-CD2 3.88Å; M133-Y187 HydrophobicContact CE-CE1 3.65Å; M133-Y187 HydrophobicContact CE-CE2 3.65Å; M133-Y187 HydrophobicContact CE-CG 4Å; M133-Y187 HydrophobicContact CG-CD1 3.85Å; M133-Y187 HydrophobicContact CG-CE1 3.92Å; M133-Y187 HydrophobicContact SD-CD1 4.34Å; P149-Y187 HydrophobicContact CB-CD2 4.29Å; P149-Y187 HydrophobicContact CB-CE2 3.58Å; P149-Y187 HydrophobicContact CG-CE2 4.19Å; M153-Y187 HydrophobicContact CG-CD2 4.07Å; M153-Y187 HydrophobicContact CG-CG 4.18Å; M153-Y187 HydrophobicContact SD-CD2 4.42Å; A183-Y187 WeakPolarHBondContact O-CB 3.3Å; A183-Y187 PolarHBondContact O-N 3.49Å; L184-Y187 HydrophobicContact CD1-CD1 4.41Å; L184-Y187 PolarHBondContact O-N 3.35Å; S185-Y187 PolarHBondContact O-N 3.09Å; Y187-S189 VanDerWaalsContact C-N 3.33Å; Y187-S189 PolarHBondContact O-N 2.88Å; Y187-A190 PolarHBondContact O-N 3Å; Y187-A190 VanDerWaalsContact O-N 3.14Å; Y187-T191 HydrophobicContact CD2-CG2 4.15Å; Y187-T191 HydrophobicContact CE2-CG2 3.62Å; Y187-T191 PolarHBondContact O-N 3Å; Y187-T191 PolarHBondContact O-OG1 3.48Å |
| 188 | L | 98.7 | Very high | 98.5 | Very high | 9 Ų | 9 | 49.5 Ų | 49.5 | 5% | 0.047 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -66.5 | -33.3 | -177.3 | -67 | 179.1 | 0 | 0 | 0 | 112.2 | F136 L184 S185 G192 A200 L335 P336 | F136-L188 HydrophobicContact CB-CD1 4.29Å; F136-L188 HydrophobicContact CB-CD2 3.98Å; F136-L188 HydrophobicContact CD2-CD1 4.08Å; F136-L188 HydrophobicContact CG-CD1 4.24Å; L184-L188 HydrophobicContact CD1-CD1 4.07Å; L184-L188 HydrophobicContact CD1-CG 4.04Å; L184-L188 HydrophobicContact CD2-CD1 4.3Å; L184-L188 HydrophobicContact CG-CD1 3.84Å; L184-L188 HydrophobicContact CG-CG 4.17Å; L184-L188 WeakPolarHBondContact O-CB 3.37Å; L184-L188 WeakPolarHBondContact O-CG 3.4Å; L184-L188 PolarHBondContact O-N 3.43Å; S185-L188 PolarHBondContact O-N 3.19Å; L188-G192 VanDerWaalsContact O-CA 3.26Å; L188-G192 WeakPolarHBondContact O-CA 3.48Å; L188-G192 PolarHBondContact O-N 2.89Å; L188-A200 HydrophobicContact CD2-CB 3.86Å; L188-L335 HydrophobicContact CB-CD2 3.67Å; L188-P336 HydrophobicContact CD1-CG 3.6Å |
| 189 | S | 98.4 | Very high | 98.5 | Very high | 76 Ų | 76 | 49.5 Ų | 49.5 | 53% | 0.531 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -69.4 | -38.1 | 171.3 | -63.5 | 0 | 0 | 0 | 0 | 112.5 | S185 Y187 L335 | S185-S189 WeakPolarHBondContact O-CB 3.28Å; S185-S189 PolarHBondContact O-N 3.28Å; S185-S189 PolarHBondContact O-OG 3.41Å; Y187-S189 VanDerWaalsContact C-N 3.33Å; Y187-S189 PolarHBondContact O-N 2.88Å; S189-L335 WeakPolarHBondContact OG-CD1 3.3Å |
| 190 | A | 98.5 | Very high | 98.5 | Very high | 79 Ų | 79 | 50 Ų | 50 | 65% | 0.653 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -71.4 | -33.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | M186 Y187 | M186-A190 VanDerWaalsContact O-CB 3.25Å; M186-A190 WeakPolarHBondContact O-CB 3.41Å; M186-A190 PolarHBondContact O-N 3.2Å; Y187-A190 PolarHBondContact O-N 3Å; Y187-A190 VanDerWaalsContact O-N 3.14Å |
| 191 | T | 98.2 | Very high | 98.4 | Very high | 23 Ų | 23 | 54.6 Ų | 54.6 | 14% | 0.141 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -88.3 | -58.1 | 174.4 | 58.4 | 0 | 0 | 0 | 0 | 111.3 | Y187 N195 F198 | Y187-T191 HydrophobicContact CD2-CG2 4.15Å; Y187-T191 HydrophobicContact CE2-CG2 3.62Å; Y187-T191 PolarHBondContact O-N 3Å; Y187-T191 PolarHBondContact O-OG1 3.48Å; T191-N195 VanDerWaalsContact O-CB 3.32Å; T191-N195 WeakPolarHBondContact O-CB 3.1Å; T191-F198 VanDerWaalsContact CB-O 3.27Å; T191-F198 WeakPolarHBondContact CB-O 3.42Å; T191-F198 HydrophobicContact CG2-CB 3.91Å |
| 192 | G | 97.8 | Very high | 98.4 | Very high | 24 Ų | 24 | 58.8 Ų | 58.8 | 25% | 0.247 | 31% | 0.313 | C | S | . | . | trans | 63.9 | -177 | -171.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | L188 Y194 A200 | L188-G192 VanDerWaalsContact O-CA 3.26Å; L188-G192 WeakPolarHBondContact O-CA 3.48Å; L188-G192 PolarHBondContact O-N 2.89Å; G192-Y194 VanDerWaalsContact C-N 3.32Å; G192-Y194 PolarHBondContact O-N 3.27Å; G192-A200 PolarHBondContact O-N 3.42Å | ||
| 193 | H | 98.1 | Very high | 98.3 | Very high | 55 Ų | 55 | 57.8 Ų | 57.8 | 26% | 0.255 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -32.7 | 179.5 | -177.3 | 58.5 | 0 | 0 | 0 | 113.1 | D138 N195 P199 A200 L202 | D138-H193 IonicContact OD2-CE1 3.68Å; H193-N195 PolarHBondContact O-N 3.47Å; H193-P199 WeakPolarHBondContact O-CB 3.44Å; H193-A200 WeakPolarHBondContact CA-O 3.46Å; H193-A200 PolarHBondContact ND1-O 3.23Å; H193-L202 HydrophobicContact CB-CB 4.5Å; H193-L202 HydrophobicContact CB-CD1 4.02Å |
| 194 | Y | 97.6 | Very high | 98.1 | Very high | 198 Ų | 198 | 63.4 Ų | 63.4 | 78% | 0.776 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | 9.6 | -171.6 | -55.1 | -69.3 | 0 | 0 | 0 | 114.4 | G192 P196 | G192-Y194 VanDerWaalsContact C-N 3.32Å; G192-Y194 PolarHBondContact O-N 3.27Å; Y194-P196 WeakPolarHBondContact O-CD 3.11Å |
| 195 | N | 98.6 | Very high | 98 | Very high | 42 Ų | 42 | 64.9 Ų | 64.9 | 23% | 0.225 | 35% | 0.348 | C | S | . | . | trans | -64.1 | 130.2 | 176.8 | -163.3 | -92.9 | 0 | 0 | 0 | 111 | T191 H193 F197 F198 P199 | T191-N195 VanDerWaalsContact O-CB 3.32Å; T191-N195 WeakPolarHBondContact O-CB 3.1Å; H193-N195 PolarHBondContact O-N 3.47Å; N195-F197 VanDerWaalsContact C-N 3.29Å; N195-F197 PolarHBondContact O-N 3.47Å; N195-F197 PolarHBondContact OD1-N 2.94Å; N195-F198 PolarHBondContact OD1-N 3.39Å; N195-P199 WeakPolarHBondContact O-CD 3.35Å | ||
| 196 | P | 97.9 | Very high | 97.8 | Very high | 107 Ų | 107 | 69.4 Ų | 69.4 | 70% | 0.695 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -63.4 | -32 | 179.2 | -25.3 | 35 | 0 | 0 | 0 | 114.3 | Y194 | Y194-P196 WeakPolarHBondContact O-CD 3.11Š|
| 197 | F | 97.9 | Very high | 97.5 | Very high | 150 Ų | 150 | 69.8 Ų | 69.8 | 66% | 0.658 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -98.2 | -48.6 | -175.3 | -65 | -62.1 | 0 | 0 | 0 | 112.6 | F143 N195 P199 | F143-F197 VanDerWaalsContact CZ-O 3.25Å; F143-F197 WeakPolarHBondContact CZ-O 3.43Å; N195-F197 VanDerWaalsContact C-N 3.29Å; N195-F197 PolarHBondContact O-N 3.47Å; N195-F197 PolarHBondContact OD1-N 2.94Å; F197-P199 WeakPolarHBondContact O-CD 3.28Å |
| 198 | F | 98.5 | Very high | 97.3 | Very high | 44 Ų | 44 | 74.1 Ų | 74.1 | 19% | 0.193 | 41% | 0.407 | C | S | . | . | S | Bend | trans | -124.7 | 58.9 | -170.1 | -53.5 | -74.8 | 0 | 0 | 0 | 111.9 | F143 W145 P149 T191 N195 A200 | F143-F198 AromaticContact CE1-CD1 3.79Å; F143-F198 HydrophobicContact CE1-CD1 3.79Å; F143-F198 HydrophobicContact CE1-CE1 4.12Å; F143-F198 HydrophobicContact CZ-CD1 4.31Å; F143-F198 HydrophobicContact CZ-CE1 4.37Å; W145-F198 HydrophobicContact CB-CE1 4.02Å; W145-F198 WeakPolarHBondContact O-CE1 3.13Å; P149-F198 HydrophobicContact CG-CD1 3.87Å; P149-F198 HydrophobicContact CG-CE1 3.82Å; P149-F198 HydrophobicContact CG-CG 4.43Å; P149-F198 HydrophobicContact CG-CZ 4.32Å; T191-F198 VanDerWaalsContact CB-O 3.27Å; T191-F198 WeakPolarHBondContact CB-O 3.42Å; T191-F198 HydrophobicContact CG2-CB 3.91Å; N195-F198 PolarHBondContact OD1-N 3.39Å; F198-A200 PolarHBondContact O-N 3.45Å |
| 199 | P | 98.5 | Very high | 97.1 | Very high | 13 Ų | 13 | 78.2 Ų | 78.2 | 8% | 0.084 | 44% | 0.443 | C | S | . | . | P | Polyproline II helix | trans | -64.3 | 133.8 | -179.6 | 28.8 | -34.8 | 0 | 0 | 0 | 110.6 | D138 K139 H193 N195 F197 | D138-P199 HydrophobicContact CB-CB 4.17Å; D138-P199 HydrophobicContact CB-CG 4.23Å; D138-P199 WeakPolarHBondContact CB-O 3.31Å; D138-P199 PolarHBondContact N-O 3.47Å; K139-P199 HydrophobicContact CD-CG 4.03Å; K139-P199 HydrophobicContact CG-CG 3.97Å; H193-P199 WeakPolarHBondContact O-CB 3.44Å; N195-P199 WeakPolarHBondContact O-CD 3.35Å; F197-P199 WeakPolarHBondContact O-CD 3.28Å |
| 200 | A | 98.5 | Very high | 96.8 | Very high | 9 Ų | 9 | 77.7 Ų | 77.7 | 7% | 0.074 | 44% | 0.437 | C | S | . | . | B | Isolated β-bridge | trans | -87.3 | 157.3 | 171 | 0 | 0 | 0 | 0 | 0 | 111.2 | F136 L188 G192 H193 F198 L202 | F136-A200 CarbonylContact O-C 3.22Å; F136-A200 VanDerWaalsContact O-CA 3.25Å; F136-A200 WeakPolarHBondContact O-CA 3.45Å; L188-A200 HydrophobicContact CD2-CB 3.86Å; G192-A200 PolarHBondContact O-N 3.42Å; H193-A200 WeakPolarHBondContact CA-O 3.46Å; H193-A200 PolarHBondContact ND1-O 3.23Å; F198-A200 PolarHBondContact O-N 3.45Å; A200-L202 PolarHBondContact O-N 3.2Å |
| 201 | K | 98 | Very high | 96.5 | Very high | 99 Ų | 99 | 81.9 Ų | 81.9 | 43% | 0.43 | 45% | 0.449 | S | S | . | . | P | Polyproline II helix | trans | -58.8 | 137.2 | 170.7 | -73.2 | -179.4 | 177.7 | 168.1 | 0 | 109.8 | V135 F136 V203 | V135-K201 WeakPolarHBondContact O-CD 3.32Å; V135-K201 WeakPolarHBondContact O-CE 3.41Å; V135-K201 PolarHBondContact O-NZ 3.04Å; F136-K201 PolarHBondContact O-N 3.49Å; K201-V203 PolarHBondContact O-N 2.95Å |
| 202 | L | 97.2 | Very high | 96.4 | Very high | 89 Ų | 89 | 82.4 Ų | 82.4 | 47% | 0.466 | 45% | 0.45 | S | S | . | . | P | Polyproline II helix | trans | -70.3 | 120.8 | 178.6 | -175.2 | 62.5 | 0 | 0 | 0 | 110.1 | H193 A200 I204 | H193-L202 HydrophobicContact CB-CB 4.5Å; H193-L202 HydrophobicContact CB-CD1 4.02Å; A200-L202 PolarHBondContact O-N 3.2Å; L202-I204 HydrophobicContact CD2-CD1 3.79Å; L202-I204 HydrophobicContact CD2-CG1 3.95Å; L202-I204 HydrophobicContact CG-CD1 4.14Å; L202-I204 HydrophobicContact CG-CG1 3.76Å |
| 203 | V | 96.9 | Very high | 96.2 | Very high | 41 Ų | 41 | 83.6 Ų | 83.6 | 25% | 0.248 | 46% | 0.455 | C | S | . | . | P | Polyproline II helix | trans | -100.3 | 127.4 | 170.8 | -178.3 | 0 | 0 | 0 | 0 | 107.5 | K201 A331 | K201-V203 PolarHBondContact O-N 2.95Å; V203-A331 HydrophobicContact CG1-CB 3.88Å |
| 204 | I | 96 | Very high | 96.1 | Very high | 119 Ų | 119 | 87.7 Ų | 87.7 | 61% | 0.61 | 47% | 0.469 | S | S | * | . | trans | -121.4 | 133.3 | -175.4 | -52.9 | 177.8 | 0 | 0 | 0 | 108.4 | L202 | L202-I204 HydrophobicContact CD2-CD1 3.79Å; L202-I204 HydrophobicContact CD2-CG1 3.95Å; L202-I204 HydrophobicContact CG-CD1 4.14Å; L202-I204 HydrophobicContact CG-CG1 3.76Å | ||
| 205 | P | 96.2 | Very high | 96.1 | Very high | 32 Ų | 32 | 83.1 Ų | 83.1 | 21% | 0.208 | 47% | 0.466 | C | S | . | . | trans | -67.5 | 150 | 174.2 | 28.4 | -34.1 | 0 | 0 | 0 | 111.2 | T207 A331 E332 | P205-T207 PolarHBondContact O-N 2.9Å; P205-A331 HydrophobicContact CB-CB 4.29Å; P205-E332 VanDerWaalsContact CB-OE1 3.32Å; P205-E332 WeakPolarHBondContact CB-OE1 3.11Å | ||
| 206 | I | 93.8 | Very high | 95.9 | Very high | 114 Ų | 114 | 86.2 Ų | 86.2 | 59% | 0.585 | 48% | 0.482 | S | S | * | . | trans | -74.5 | 116.6 | 177.6 | -58 | 175.1 | 0 | 0 | 0 | 108.6 | T208 | I206-T208 VanDerWaalsContact CG2-O 3.28Å; I206-T208 WeakPolarHBondContact CG2-O 3.46Å | ||
| 207 | T | 93.9 | Very high | 95.9 | Very high | 126 Ų | 126 | 84 Ų | 84 | 77% | 0.773 | 46% | 0.464 | S | S | * | . | trans | -105.8 | -12.2 | -178.4 | 52.1 | 0 | 0 | 0 | 0 | 113.7 | P205 | P205-T207 PolarHBondContact O-N 2.9Š| ||
| 208 | T | 94.2 | Very high | 95.9 | Very high | 107 Ų | 107 | 78.8 Ų | 78.8 | 66% | 0.656 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -132.5 | 142.7 | -179 | 56.4 | 0 | 0 | 0 | 0 | 110.6 | I206 | I206-T208 VanDerWaalsContact CG2-O 3.28Å; I206-T208 WeakPolarHBondContact CG2-O 3.46Å |
| 209 | A | 93.9 | Very high | 95.9 | Very high | 95 Ų | 95 | 80.5 Ų | 80.5 | 79% | 0.785 | 47% | 0.468 | S | S | * | . | trans | -61 | 131 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 210 | P | 92.4 | Very high | 95.9 | Very high | 65 Ų | 65 | 84.7 Ų | 84.7 | 42% | 0.422 | 49% | 0.49 | S | S | . | . | trans | -68.4 | 139.9 | 177.8 | 28.6 | -34.2 | 0 | 0 | 0 | 110.5 | I212 P277 | P210-I212 HydrophobicContact CB-CD1 4.41Å; P210-I212 HydrophobicContact CB-CG1 4.27Å; P210-I212 HydrophobicContact CG-CD1 3.99Å; P210-I212 HydrophobicContact CG-CG1 4.37Å; P210-I212 PolarHBondContact O-N 3.05Å; P210-P277 HydrophobicContact CB-CG 3.81Å; P210-P277 HydrophobicContact CG-CG 3.94Å | ||
| 211 | N | 93.2 | Very high | 95.9 | Very high | 168 Ų | 168 | 87 Ų | 87 | 90% | 0.898 | 50% | 0.499 | S | S | * | . | trans | -83.6 | 111.8 | 173.2 | -172.7 | 17.3 | 0 | 0 | 0 | 109.5 | ||||
| 212 | I | 94.4 | Very high | 95.9 | Very high | 33 Ų | 33 | 83.9 Ų | 83.9 | 17% | 0.169 | 49% | 0.487 | C | S | . | . | trans | -115.5 | 118.8 | -173.1 | -61.4 | 168.6 | 0 | 0 | 0 | 110 | P210 S275 F278 | P210-I212 HydrophobicContact CB-CD1 4.41Å; P210-I212 HydrophobicContact CB-CG1 4.27Å; P210-I212 HydrophobicContact CG-CD1 3.99Å; P210-I212 HydrophobicContact CG-CG1 4.37Å; P210-I212 PolarHBondContact O-N 3.05Å; I212-S275 WeakPolarHBondContact CD1-O 3.35Å; I212-S275 VanDerWaalsContact CD1-OG 3.29Å; I212-S275 WeakPolarHBondContact CD1-OG 3.23Å; I212-F278 HydrophobicContact CG2-CE1 4.01Å; I212-F278 HydrophobicContact CG2-CE2 4.08Å; I212-F278 HydrophobicContact CG2-CZ 3.65Å | ||
| 213 | S | 94.9 | Very high | 95.9 | Very high | 50 Ų | 50 | 85.1 Ų | 85.1 | 35% | 0.35 | 49% | 0.493 | S | S | . | . | trans | -98.5 | 99.6 | 174.7 | 173.8 | 0 | 0 | 0 | 0 | 109.4 | S215 D216 F278 | S213-S215 PolarHBondContact O-N 3.26Å; S213-S215 VanDerWaalsContact O-N 3.14Å; S213-S215 PolarHBondContact OG-OG 2.93Å; S213-D216 WeakPolarHBondContact CB-OD2 3.34Å; S213-D216 WeakPolarHBondContact O-CB 3.35Å; S213-D216 PolarHBondContact O-N 3.4Å; S213-D216 VanDerWaalsContact OG-CG 3.32Å; S213-D216 PolarHBondContact OG-OD2 2.96Å; S213-F278 WeakPolarHBondContact O-CE2 3.49Å | ||
| 214 | W | 95.9 | Very high | 96 | Very high | 141 Ų | 141 | 87.1 Ų | 87.1 | 53% | 0.534 | 50% | 0.498 | S | S | . | . | G | 310 helix | trans | -63.6 | -18.4 | -176.4 | -71.8 | 87.5 | 0 | 0 | 0 | 114.1 | D216 L217 L272 F278 | W214-D216 PolarHBondContact O-N 2.72Å; W214-L217 WeakPolarHBondContact O-CB 3.39Å; W214-L217 PolarHBondContact O-N 3.16Å; W214-L272 HydrophobicContact CZ3-CD2 4.5Å; W214-F278 HydrophobicContact CD2-CZ 4.28Å; W214-F278 HydrophobicContact CE3-CE1 4.42Å; W214-F278 HydrophobicContact CE3-CZ 4.07Å; W214-F278 HydrophobicContact CZ3-CE1 4.42Å |
| 215 | S | 96.3 | Very high | 96.1 | Very high | 102 Ų | 102 | 81.4 Ų | 81.4 | 71% | 0.713 | 47% | 0.469 | S | S | * | . | G | 310 helix | trans | -67 | -21.5 | 172.1 | 52.9 | 0 | 0 | 0 | 0 | 113.2 | S213 L217 | S213-S215 PolarHBondContact O-N 3.26Å; S213-S215 VanDerWaalsContact O-N 3.14Å; S213-S215 PolarHBondContact OG-OG 2.93Å; S215-L217 VanDerWaalsContact C-N 3.29Å |
| 216 | D | 95.9 | Very high | 96.3 | Very high | 107 Ų | 107 | 81.4 Ų | 81.4 | 57% | 0.572 | 47% | 0.467 | S | S | * | . | G | 310 helix | trans | -90.8 | 2.6 | -176.3 | -53.8 | -22 | 0 | 0 | 0 | 112 | S213 W214 S218 | S213-D216 WeakPolarHBondContact CB-OD2 3.34Å; S213-D216 WeakPolarHBondContact O-CB 3.35Å; S213-D216 PolarHBondContact O-N 3.4Å; S213-D216 VanDerWaalsContact OG-CG 3.32Å; S213-D216 PolarHBondContact OG-OD2 2.96Å; W214-D216 PolarHBondContact O-N 2.72Å; D216-S218 PolarHBondContact O-N 3.12Å |
| 217 | L | 97.1 | Very high | 96.5 | Very high | 59 Ų | 59 | 77.3 Ų | 77.3 | 31% | 0.309 | 45% | 0.448 | S | S | . | . | trans | -65.3 | 121 | 176.2 | -173.7 | 68.5 | 0 | 0 | 0 | 110.2 | W214 S215 L222 L272 F278 | W214-L217 WeakPolarHBondContact O-CB 3.39Å; W214-L217 PolarHBondContact O-N 3.16Å; S215-L217 VanDerWaalsContact C-N 3.29Å; L217-L222 HydrophobicContact CD1-CD1 3.99Å; L217-L222 HydrophobicContact CD1-CD2 4.2Å; L217-L222 HydrophobicContact CD1-CG 4.24Å; L217-L222 HydrophobicContact CD2-CD1 4.24Å; L217-L222 HydrophobicContact CG-CD1 4.08Å; L217-L272 HydrophobicContact CD1-CD2 3.88Å; L217-L272 HydrophobicContact CD2-CD2 4.49Å; L217-F278 HydrophobicContact CB-CE2 3.91Å; L217-F278 HydrophobicContact CB-CZ 3.97Å; L217-F278 HydrophobicContact CD1-CD1 3.82Å; L217-F278 HydrophobicContact CD1-CD2 4.24Å; L217-F278 HydrophobicContact CD1-CE1 3.66Å; L217-F278 HydrophobicContact CD1-CE2 4.07Å; L217-F278 HydrophobicContact CD1-CG 4.13Å; L217-F278 HydrophobicContact CD1-CZ 3.79Å; L217-F278 HydrophobicContact CG-CZ 4.4Å | ||
| 218 | S | 98.2 | Very high | 96.7 | Very high | 42 Ų | 42 | 71.6 Ų | 71.6 | 29% | 0.294 | 41% | 0.413 | S | S | . | . | trans | -107.3 | 116.6 | -176.1 | 174.3 | 0 | 0 | 0 | 0 | 110.9 | D216 L220 E221 L222 Y282 | D216-S218 PolarHBondContact O-N 3.12Å; S218-L220 PolarHBondContact O-N 3.07Å; S218-E221 PolarHBondContact O-N 3.19Å; S218-E221 PolarHBondContact OG-N 3.16Å; S218-L222 WeakPolarHBondContact O-CG 3.47Å; S218-L222 PolarHBondContact O-N 2.81Å; S218-Y282 PolarHBondContact N-OH 2.89Å | ||
| 219 | A | 98 | Very high | 97 | Very high | 79 Ų | 79 | 66.5 Ų | 66.5 | 65% | 0.653 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -60.1 | -33.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | L223 | A219-L223 WeakPolarHBondContact O-CB 3.44Å; A219-L223 PolarHBondContact O-N 3.49Å |
| 220 | L | 98.3 | Very high | 97.2 | Very high | 102 Ų | 102 | 62 Ų | 62 | 53% | 0.534 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -68.7 | -41.6 | 177.5 | 179.9 | 61.8 | 0 | 0 | 0 | 111.5 | S218 L223 K224 | S218-L220 PolarHBondContact O-N 3.07Å; L220-L223 PolarHBondContact O-N 3.07Å; L220-K224 WeakPolarHBondContact O-CG 3.33Å; L220-K224 PolarHBondContact O-N 3.08Å |
| 221 | E | 98.4 | Very high | 97.5 | Very high | 58 Ų | 58 | 58.9 Ų | 58.9 | 27% | 0.271 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -69.1 | -37.3 | 176.8 | -64.2 | -54.3 | 134.7 | 0 | 0 | 111.2 | S218 L223 K224 S225 Y282 | S218-E221 PolarHBondContact O-N 3.19Å; S218-E221 PolarHBondContact OG-N 3.16Å; E221-L223 VanDerWaalsContact C-N 3.32Å; E221-L223 PolarHBondContact O-N 2.72Å; E221-K224 PolarHBondContact O-N 3.42Å; E221-K224 IonicContact OE1-NZ 2.86Å; E221-K224 PolarHBondContact OE1-NZ 2.99Å; E221-K224 IonicContact OE2-NZ 2.94Å; E221-S225 PolarHBondContact O-N 3.06Å; E221-S225 PolarHBondContact O-OG 3.39Å; E221-Y282 HydrophobicContact CB-CD1 3.67Å; E221-Y282 HydrophobicContact CB-CD2 3.83Å; E221-Y282 HydrophobicContact CB-CE1 3.59Å; E221-Y282 HydrophobicContact CB-CE2 3.76Å; E221-Y282 HydrophobicContact CB-CG 3.8Å; E221-Y282 HydrophobicContact CG-CD2 4.27Å; E221-Y282 HydrophobicContact CG-CE2 4.17Å |
| 222 | L | 98.4 | Very high | 97.8 | Very high | 33 Ų | 33 | 51.8 Ų | 51.8 | 17% | 0.173 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.4 | -41.4 | 170.1 | -69 | 175.2 | 0 | 0 | 0 | 112.1 | L217 S218 S225 I268 L272 I281 Y282 | L217-L222 HydrophobicContact CD1-CD1 3.99Å; L217-L222 HydrophobicContact CD1-CD2 4.2Å; L217-L222 HydrophobicContact CD1-CG 4.24Å; L217-L222 HydrophobicContact CD2-CD1 4.24Å; L217-L222 HydrophobicContact CG-CD1 4.08Å; S218-L222 WeakPolarHBondContact O-CG 3.47Å; S218-L222 PolarHBondContact O-N 2.81Å; L222-S225 VanDerWaalsContact O-CB 3.27Å; L222-S225 WeakPolarHBondContact O-CB 3.46Å; L222-S225 PolarHBondContact O-N 3.29Å; L222-I268 HydrophobicContact CD2-CG2 3.67Å; L222-L272 HydrophobicContact CD1-CD1 4.38Å; L222-L272 HydrophobicContact CD2-CD1 4.18Å; L222-L272 HydrophobicContact CD2-CD2 4.49Å; L222-I281 HydrophobicContact CD2-CG2 4.08Å; L222-Y282 HydrophobicContact CD2-CD1 4.46Å; L222-Y282 HydrophobicContact CD2-CE1 3.87Å; L222-Y282 HydrophobicContact CG-CE1 4.1Å |
| 223 | L | 98.4 | Very high | 98 | Very high | 115 Ų | 115 | 50.4 Ų | 50.4 | 60% | 0.602 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -65.8 | -41.3 | 176.8 | -172.9 | 64.5 | 0 | 0 | 0 | 111.7 | A219 L220 E221 S225 I226 P227 | A219-L223 WeakPolarHBondContact O-CB 3.44Å; A219-L223 PolarHBondContact O-N 3.49Å; L220-L223 PolarHBondContact O-N 3.07Å; E221-L223 VanDerWaalsContact C-N 3.32Å; E221-L223 PolarHBondContact O-N 2.72Å; L223-S225 VanDerWaalsContact C-N 3.26Å; L223-S225 PolarHBondContact O-N 2.88Å; L223-I226 HydrophobicContact CD1-CD1 4.11Å; L223-I226 PolarHBondContact O-N 3.04Å; L223-P227 WeakPolarHBondContact O-CD 3.28Å |
| 224 | K | 98.4 | Very high | 98.2 | Very high | 82 Ų | 82 | 48 Ų | 48 | 36% | 0.357 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -64.8 | -29.9 | 173.2 | -70.7 | 174.1 | -173.8 | 168.6 | 0 | 112.5 | L220 E221 I226 P227 V228 | L220-K224 WeakPolarHBondContact O-CG 3.33Å; L220-K224 PolarHBondContact O-N 3.08Å; E221-K224 PolarHBondContact O-N 3.42Å; E221-K224 IonicContact OE1-NZ 2.86Å; E221-K224 PolarHBondContact OE1-NZ 2.99Å; E221-K224 IonicContact OE2-NZ 2.94Å; K224-I226 PolarHBondContact O-N 3.26Å; K224-P227 WeakPolarHBondContact O-CD 3.3Å; K224-P227 VanDerWaalsContact O-CG 3.24Å; K224-P227 WeakPolarHBondContact O-CG 3.4Å; K224-V228 WeakPolarHBondContact O-CG2 3.4Å; K224-V228 PolarHBondContact O-N 2.7Å |
| 225 | S | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62 | -24.2 | 179.1 | -53.3 | 0 | 0 | 0 | 0 | 112.4 | E221 L222 L223 G229 I268 I281 Y282 | E221-S225 PolarHBondContact O-N 3.06Å; E221-S225 PolarHBondContact O-OG 3.39Å; L222-S225 VanDerWaalsContact O-CB 3.27Å; L222-S225 WeakPolarHBondContact O-CB 3.46Å; L222-S225 PolarHBondContact O-N 3.29Å; L223-S225 VanDerWaalsContact C-N 3.26Å; L223-S225 PolarHBondContact O-N 2.88Å; S225-G229 PolarHBondContact O-N 3.41Å; S225-I268 VanDerWaalsContact CB-CD1 3.5Å; S225-I281 PolarHBondContact OG-O 3.18Å; S225-Y282 VanDerWaalsContact OG-CA 3.32Å; S225-Y282 WeakPolarHBondContact OG-CA 3.2Å |
| 226 | I | 98.9 | Very high | 98.4 | Very high | 32 Ų | 32 | 36.7 Ų | 36.7 | 16% | 0.164 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.4 | -60.7 | 179 | -58.6 | 174.8 | 0 | 0 | 0 | 111.2 | L223 K224 V228 G229 V230 A261 S264 L265 I268 | L223-I226 HydrophobicContact CD1-CD1 4.11Å; L223-I226 PolarHBondContact O-N 3.04Å; K224-I226 PolarHBondContact O-N 3.26Å; I226-V228 VanDerWaalsContact C-N 3.33Å; I226-V228 PolarHBondContact O-N 3.26Å; I226-G229 PolarHBondContact O-N 3.06Å; I226-V230 PolarHBondContact O-N 3.22Å; I226-A261 HydrophobicContact CG2-CB 4.32Å; I226-S264 WeakPolarHBondContact O-CB 3.27Å; I226-S264 PolarHBondContact O-OG 3.43Å; I226-L265 HydrophobicContact CD1-CD1 4.09Å; I226-L265 HydrophobicContact CG1-CD1 4.4Å; I226-I268 HydrophobicContact CG1-CD1 3.72Å |
| 227 | P | 98.8 | Very high | 98.5 | Very high | 27 Ų | 27 | 34.3 Ų | 34.3 | 18% | 0.175 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.4 | -35.8 | 175.4 | 24.5 | -33.9 | 0 | 0 | 0 | 112.1 | L223 K224 G229 V230 G231 G242 L246 | L223-P227 WeakPolarHBondContact O-CD 3.28Å; K224-P227 WeakPolarHBondContact O-CD 3.3Å; K224-P227 VanDerWaalsContact O-CG 3.24Å; K224-P227 WeakPolarHBondContact O-CG 3.4Å; P227-G229 VanDerWaalsContact C-N 3.33Å; P227-G229 PolarHBondContact O-N 2.84Å; P227-V230 CarbonylContact O-C 3.47Å; P227-V230 WeakPolarHBondContact O-CA 3.3Å; P227-V230 WeakPolarHBondContact O-CB 3.38Å; P227-V230 PolarHBondContact O-N 2.9Å; P227-G231 PolarHBondContact O-N 3.19Å; P227-G242 WeakPolarHBondContact O-CA 3.43Å; P227-L246 HydrophobicContact CB-CD1 4.31Å |
| 228 | V | 98.9 | Very high | 98.6 | Very high | 7 Ų | 7 | 33.5 Ų | 33.5 | 4% | 0.042 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.2 | -41.7 | 177.1 | 178 | 0 | 0 | 0 | 0 | 111.3 | K224 I226 V230 G231 Q232 D237 P239 F283 | K224-V228 WeakPolarHBondContact O-CG2 3.4Å; K224-V228 PolarHBondContact O-N 2.7Å; I226-V228 VanDerWaalsContact C-N 3.33Å; I226-V228 PolarHBondContact O-N 3.26Å; V228-V230 PolarHBondContact O-N 2.82Å; V228-G231 CarbonylContact O-C 3.03Å; V228-G231 WeakPolarHBondContact O-CA 3.43Å; V228-G231 PolarHBondContact O-N 3.33Å; V228-Q232 HydrophobicContact CG1-CG 4.48Å; V228-Q232 WeakPolarHBondContact O-CG 3.43Å; V228-Q232 PolarHBondContact O-N 3.07Å; V228-D237 WeakPolarHBondContact CG1-O 3.46Å; V228-P239 HydrophobicContact CG2-CB 3.76Å; V228-P239 HydrophobicContact CG2-CG 4.49Å; V228-F283 WeakPolarHBondContact CG1-O 3.36Å |
| 229 | G | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.2 | -32.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | S225 I226 P227 F288 | S225-G229 PolarHBondContact O-N 3.41Å; I226-G229 PolarHBondContact O-N 3.06Å; P227-G229 VanDerWaalsContact C-N 3.33Å; P227-G229 PolarHBondContact O-N 2.84Å; G229-F288 WeakPolarHBondContact O-CA 3.49Å; G229-F288 WeakPolarHBondContact O-CB 3.44Å; G229-F288 PolarHBondContact O-N 3.39Å |
| 230 | V | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -74.7 | -37.1 | 172 | -179.1 | 0 | 0 | 0 | 0 | 111.3 | I226 P227 V228 Q232 I233 F245 L246 I249 A260 | I226-V230 PolarHBondContact O-N 3.22Å; P227-V230 CarbonylContact O-C 3.47Å; P227-V230 WeakPolarHBondContact O-CA 3.3Å; P227-V230 WeakPolarHBondContact O-CB 3.38Å; P227-V230 PolarHBondContact O-N 2.9Å; V228-V230 PolarHBondContact O-N 2.82Å; V230-Q232 VanDerWaalsContact C-N 3.3Å; V230-Q232 PolarHBondContact O-N 3.41Å; V230-I233 HydrophobicContact CG1-CD1 4.18Å; V230-I233 VanDerWaalsContact O-CB 3.28Å; V230-I233 WeakPolarHBondContact O-CB 3.25Å; V230-I233 VanDerWaalsContact O-CG1 3.3Å; V230-I233 WeakPolarHBondContact O-CG1 3.47Å; V230-I233 PolarHBondContact O-N 2.9Å; V230-F245 HydrophobicContact CG1-CB 4.19Å; V230-L246 HydrophobicContact CB-CG 4.34Å; V230-L246 HydrophobicContact CG1-CD2 4.25Å; V230-L246 HydrophobicContact CG1-CG 4.1Å; V230-L246 HydrophobicContact CG2-CD1 4.43Å; V230-L246 HydrophobicContact CG2-CD2 4.01Å; V230-L246 HydrophobicContact CG2-CG 4.18Å; V230-I249 HydrophobicContact CG1-CD1 4.46Å; V230-A260 HydrophobicContact CG2-CB 4.5Å |
| 231 | G | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -57.4 | -42 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | P227 V228 I233 Y234 C236 | P227-G231 PolarHBondContact O-N 3.19Å; V228-G231 CarbonylContact O-C 3.03Å; V228-G231 WeakPolarHBondContact O-CA 3.43Å; V228-G231 PolarHBondContact O-N 3.33Å; G231-I233 PolarHBondContact O-N 2.95Å; G231-Y234 PolarHBondContact O-N 2.98Å; G231-C236 CarbonylContact C-O 3.03Å; G231-C236 WeakPolarHBondContact CA-O 3.21Å; G231-C236 WeakPolarHBondContact O-CB 3.19Å; G231-C236 PolarHBondContact O-N 3.05Å; G231-C236 VanDerWaalsContact O-N 3.08Å |
| 232 | Q | 98.9 | Very high | 98.7 | Very high | 18 Ų | 18 | 31.9 Ų | 31.9 | 8% | 0.084 | 16% | 0.155 | C | C | . | . | G | 310 helix | trans | -65.2 | -10.3 | -179.6 | -74.1 | -67.5 | 5 | 0 | 0 | 114 | V228 V230 Y234 G235 C236 F283 F288 | V228-Q232 HydrophobicContact CG1-CG 4.48Å; V228-Q232 WeakPolarHBondContact O-CG 3.43Å; V228-Q232 PolarHBondContact O-N 3.07Å; V230-Q232 VanDerWaalsContact C-N 3.3Å; V230-Q232 PolarHBondContact O-N 3.41Å; Q232-Y234 PolarHBondContact O-N 3.43Å; Q232-G235 PolarHBondContact O-N 2.96Å; Q232-G235 VanDerWaalsContact OE1-C 3.3Å; Q232-G235 VanDerWaalsContact OE1-CA 3.28Å; Q232-C236 PolarHBondContact N-O 2.65Å; Q232-F283 VanDerWaalsContact CG-O 3.27Å; Q232-F283 WeakPolarHBondContact CG-O 3.35Å; Q232-F283 PolarHBondContact NE2-O 3.42Å; Q232-F288 HydrophobicContact CB-CB 3.71Å; Q232-F288 HydrophobicContact CB-CD1 3.78Å; Q232-F288 HydrophobicContact CB-CG 3.94Å |
| 233 | I | 98.9 | Very high | 98.7 | Very high | 4 Ų | 4 | 32 Ų | 32 | 2% | 0.021 | 16% | 0.164 | C | C | . | . | G | 310 helix | trans | -56.3 | -35.7 | 167.4 | -65.5 | 175.9 | 0 | 0 | 0 | 110.8 | V69 V70 L128 V230 G231 F288 L292 | V69-I233 HydrophobicContact CG1-CG2 3.68Å; V70-I233 HydrophobicContact CG1-CD1 4.02Å; V70-I233 HydrophobicContact CG1-CG2 3.87Å; L128-I233 VanDerWaalsContact CD2-O 3.32Å; L128-I233 WeakPolarHBondContact CD2-O 3.25Å; V230-I233 HydrophobicContact CG1-CD1 4.18Å; V230-I233 VanDerWaalsContact O-CB 3.28Å; V230-I233 WeakPolarHBondContact O-CB 3.25Å; V230-I233 VanDerWaalsContact O-CG1 3.3Å; V230-I233 WeakPolarHBondContact O-CG1 3.47Å; V230-I233 PolarHBondContact O-N 2.9Å; G231-I233 PolarHBondContact O-N 2.95Å; I233-F288 HydrophobicContact CG1-CB 3.94Å; I233-L292 HydrophobicContact CD1-CD2 4.02Å; I233-L292 HydrophobicContact CD1-CG 4Å; I233-L292 HydrophobicContact CG1-CD1 4.45Å; I233-L292 HydrophobicContact CG1-CD2 4.39Å; I233-L292 HydrophobicContact CG1-CG 4.04Å; I233-L292 HydrophobicContact CG2-CD1 4.17Å; I233-L292 HydrophobicContact CG2-CD2 3.9Å; I233-L292 HydrophobicContact CG2-CG 4.18Å |
| 234 | Y | 98.8 | Very high | 98.7 | Very high | 1 Ų | 1 | 28.8 Ų | 28.8 | 0% | 0.004 | 15% | 0.147 | C | C | . | . | G | 310 helix | trans | -104.9 | 17.9 | 172.9 | -63.2 | -102.7 | 0 | 0 | 0 | 112.1 | I66 V69 V70 I81 L85 T127 L128 V131 G231 Q232 C236 F245 | I66-Y234 PolarHBondContact O-OH 3.1Å; V69-Y234 HydrophobicContact CB-CE1 3.69Å; V69-Y234 HydrophobicContact CB-CE2 4.26Å; V69-Y234 VanDerWaalsContact CB-CZ 3.49Å; V69-Y234 WeakPolarHBondContact CB-OH 3.45Å; V69-Y234 HydrophobicContact CG1-CD1 4.21Å; V69-Y234 HydrophobicContact CG1-CD2 4.32Å; V69-Y234 HydrophobicContact CG1-CE1 3.71Å; V69-Y234 HydrophobicContact CG1-CE2 3.83Å; V69-Y234 HydrophobicContact CG2-CD1 4.46Å; V69-Y234 HydrophobicContact CG2-CE1 3.63Å; V70-Y234 HydrophobicContact CG1-CE2 4.04Å; I81-Y234 HydrophobicContact CG2-CD1 4.47Å; I81-Y234 HydrophobicContact CG2-CE1 3.79Å; I81-Y234 HydrophobicContact CG2-CE2 4.05Å; L85-Y234 HydrophobicContact CD2-CD1 4.41Å; L85-Y234 HydrophobicContact CD2-CG 4.44Å; T127-Y234 HydrophobicContact CG2-CE1 4.37Å; L128-Y234 HydrophobicContact CD2-CD1 4.29Å; V131-Y234 WeakPolarHBondContact CG1-O 3.4Å; G231-Y234 PolarHBondContact O-N 2.98Å; Q232-Y234 PolarHBondContact O-N 3.43Å; Y234-C236 VanDerWaalsContact C-N 3.32Å; Y234-C236 PolarHBondContact O-N 2.97Å; Y234-F245 AromaticContact CD2-CD2 3.81Å; Y234-F245 HydrophobicContact CD2-CD2 3.81Å; Y234-F245 AromaticContact CD2-CE2 3.43Å; Y234-F245 HydrophobicContact CD2-CE2 3.43Å; Y234-F245 VanDerWaalsContact CD2-CE2 3.43Å; Y234-F245 AromaticContact CD2-CZ 3.99Å; Y234-F245 HydrophobicContact CD2-CZ 3.99Å; Y234-F245 HydrophobicContact CE2-CD2 4.23Å; Y234-F245 HydrophobicContact CE2-CE2 4.17Å; Y234-F245 AromaticContact CG-CE2 3.95Å; Y234-F245 HydrophobicContact CG-CE2 3.95Å; Y234-F245 HydrophobicContact CG-CZ 4.23Å |
| 235 | G | 98.5 | Very high | 98.8 | Very high | 5 Ų | 5 | 25 Ų | 25 | 5% | 0.052 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.3 | 23.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | W92 Q232 | W92-G235 VanDerWaalsContact CZ3-O 3.27Å; W92-G235 WeakPolarHBondContact CZ3-O 3.18Å; Q232-G235 PolarHBondContact O-N 2.96Å; Q232-G235 VanDerWaalsContact OE1-C 3.3Å; Q232-G235 VanDerWaalsContact OE1-CA 3.28Å |
| 236 | C | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.138 | C | C | . | . | trans | -101 | 125.1 | -178.4 | -56.6 | 0 | 0 | 0 | 0 | 111.4 | Q88 G231 Q232 Y234 T241 F245 | Q88-C236 HydrophobicContact CB-CB 4.19Å; Q88-C236 HydrophobicContact CG-CB 3.84Å; G231-C236 CarbonylContact C-O 3.03Å; G231-C236 WeakPolarHBondContact CA-O 3.21Å; G231-C236 WeakPolarHBondContact O-CB 3.19Å; G231-C236 PolarHBondContact O-N 3.05Å; G231-C236 VanDerWaalsContact O-N 3.08Å; Q232-C236 PolarHBondContact N-O 2.65Å; Y234-C236 VanDerWaalsContact C-N 3.32Å; Y234-C236 PolarHBondContact O-N 2.97Å; C236-T241 HydrophobicContact CB-CG2 3.64Å; C236-F245 HydrophobicContact CB-CE2 4.39Å | ||
| 237 | D | 98.3 | Very high | 98.8 | Very high | 56 Ų | 56 | 26.3 Ų | 26.3 | 30% | 0.299 | 15% | 0.146 | S | C | . | . | trans | -96.6 | -9.6 | 180 | 62.8 | -48.7 | 0 | 0 | 0 | 113.9 | Q88 V228 P239 F283 | Q88-D237 PolarHBondContact NE2-OD1 2.96Å; Q88-D237 PolarHBondContact OE1-OD1 3.29Å; V228-D237 WeakPolarHBondContact CG1-O 3.46Å; D237-P239 WeakPolarHBondContact O-CD 3.44Å; D237-F283 HydrophobicContact CB-CD1 4.43Å; D237-F283 HydrophobicContact CB-CD2 3.89Å; D237-F283 HydrophobicContact CB-CE1 3.94Å; D237-F283 HydrophobicContact CB-CE2 3.34Å; D237-F283 HydrophobicContact CB-CG 4.4Å; D237-F283 HydrophobicContact CB-CZ 3.37Å; D237-F283 WeakPolarHBondContact OD2-CE2 3.31Å | ||
| 238 | N | 98.6 | Very high | 98.8 | Very high | 42 Ų | 42 | 25 Ų | 25 | 23% | 0.225 | 14% | 0.138 | C | C | . | . | trans | -71.4 | 121.7 | 177.7 | -174 | -25 | 0 | 0 | 0 | 111.3 | W240 T241 G242 | N238-W240 PolarHBondContact O-N 3.43Å; N238-W240 WeakPolarHBondContact OD1-CB 3.27Å; N238-W240 VanDerWaalsContact OD1-CD1 3.24Å; N238-W240 PolarHBondContact OD1-N 3.11Å; N238-T241 WeakPolarHBondContact O-CB 3.38Å; N238-T241 PolarHBondContact O-N 3.25Å; N238-T241 VanDerWaalsContact O-N 3.11Å; N238-G242 PolarHBondContact O-N 3.5Å; N238-G242 VanDerWaalsContact O-N 3.13Å | ||
| 239 | P | 98.5 | Very high | 98.8 | Very high | 48 Ų | 48 | 24.7 Ų | 24.7 | 31% | 0.312 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -61.4 | -30.1 | -179.3 | 23.8 | -34.2 | 0 | 0 | 0 | 113.2 | V228 D237 G242 G243 | V228-P239 HydrophobicContact CG2-CB 3.76Å; V228-P239 HydrophobicContact CG2-CG 4.49Å; D237-P239 WeakPolarHBondContact O-CD 3.44Å; P239-G242 PolarHBondContact O-N 3.05Å; P239-G243 PolarHBondContact O-N 3.04Å |
| 240 | W | 98.8 | Very high | 98.7 | Very high | 199 Ų | 199 | 29 Ų | 29 | 75% | 0.754 | 16% | 0.158 | S | C | * | . | H | α-helix | trans | -68.3 | -41.2 | 176.7 | -59.7 | 106.7 | 0 | 0 | 0 | 111.5 | V87 N238 G242 G243 I244 | V87-W240 HydrophobicContact CG1-CB 4.46Å; N238-W240 PolarHBondContact O-N 3.43Å; N238-W240 WeakPolarHBondContact OD1-CB 3.27Å; N238-W240 VanDerWaalsContact OD1-CD1 3.24Å; N238-W240 PolarHBondContact OD1-N 3.11Å; W240-G242 VanDerWaalsContact C-N 3.35Å; W240-G243 PolarHBondContact O-N 2.94Å; W240-I244 VanDerWaalsContact O-CG1 3.31Å; W240-I244 WeakPolarHBondContact O-CG1 3.25Å; W240-I244 PolarHBondContact O-N 3.22Å |
| 241 | T | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59.9 | -46.3 | 173.7 | -65.9 | 0 | 0 | 0 | 0 | 110.9 | G84 Q88 C236 N238 G243 I244 F245 | G84-T241 WeakPolarHBondContact O-CG2 3.48Å; G84-T241 PolarHBondContact O-OG1 3.22Å; Q88-T241 HydrophobicContact CB-CG2 4.18Å; Q88-T241 PolarHBondContact N-OG1 3.26Å; C236-T241 HydrophobicContact CB-CG2 3.64Å; N238-T241 WeakPolarHBondContact O-CB 3.38Å; N238-T241 PolarHBondContact O-N 3.25Å; N238-T241 VanDerWaalsContact O-N 3.11Å; T241-G243 VanDerWaalsContact C-N 3.33Å; T241-G243 PolarHBondContact O-N 3.47Å; T241-I244 PolarHBondContact O-N 2.89Å; T241-F245 HydrophobicContact CG2-CD1 4.32Å; T241-F245 HydrophobicContact CG2-CD2 4.27Å; T241-F245 HydrophobicContact CG2-CE1 3.67Å; T241-F245 HydrophobicContact CG2-CE2 3.61Å; T241-F245 HydrophobicContact CG2-CZ 3.27Å; T241-F245 WeakPolarHBondContact O-CD1 3.46Å; T241-F245 WeakPolarHBondContact O-CG 3.48Å; T241-F245 PolarHBondContact O-N 3.26Å |
| 242 | G | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -58.7 | -41.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | P227 N238 P239 W240 F245 L246 | P227-G242 WeakPolarHBondContact O-CA 3.43Å; N238-G242 PolarHBondContact O-N 3.5Å; N238-G242 VanDerWaalsContact O-N 3.13Å; P239-G242 PolarHBondContact O-N 3.05Å; W240-G242 VanDerWaalsContact C-N 3.35Å; G242-F245 PolarHBondContact O-N 3.43Å; G242-L246 PolarHBondContact O-N 3.48Å |
| 243 | G | 98.8 | Very high | 98.7 | Very high | 35 Ų | 35 | 30.1 Ų | 30.1 | 36% | 0.361 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -63.7 | -40.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | P239 W240 T241 L246 G247 | P239-G243 PolarHBondContact O-N 3.04Å; W240-G243 PolarHBondContact O-N 2.94Å; T241-G243 VanDerWaalsContact C-N 3.33Å; T241-G243 PolarHBondContact O-N 3.47Å; G243-L246 PolarHBondContact O-N 3.47Å; G243-G247 PolarHBondContact O-N 3.01Å |
| 244 | I | 98.9 | Very high | 98.7 | Very high | 48 Ų | 48 | 33.5 Ų | 33.5 | 25% | 0.246 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.6 | -41.8 | 174.6 | -69 | 164.3 | 0 | 0 | 0 | 110.5 | L80 V87 W240 T241 G247 A248 | L80-I244 WeakPolarHBondContact O-CG2 3.29Å; V87-I244 HydrophobicContact CG2-CD1 4.11Å; W240-I244 VanDerWaalsContact O-CG1 3.31Å; W240-I244 WeakPolarHBondContact O-CG1 3.25Å; W240-I244 PolarHBondContact O-N 3.22Å; T241-I244 PolarHBondContact O-N 2.89Å; I244-G247 CarbonylContact O-C 3.34Å; I244-G247 WeakPolarHBondContact O-CA 3.27Å; I244-G247 PolarHBondContact O-N 3.32Å; I244-G247 VanDerWaalsContact O-N 3.16Å; I244-A248 PolarHBondContact O-N 3.2Å |
| 245 | F | 98.9 | Very high | 98.7 | Very high | 2 Ų | 2 | 35.6 Ų | 35.6 | 1% | 0.009 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.7 | -42.6 | 176.5 | -65 | -7.8 | 0 | 0 | 0 | 111.9 | I81 L85 V230 Y234 C236 T241 G242 G247 A248 I249 | I81-F245 HydrophobicContact CB-CD1 4.28Å; I81-F245 HydrophobicContact CB-CE1 4.24Å; I81-F245 HydrophobicContact CG1-CD1 4.01Å; I81-F245 HydrophobicContact CG1-CE1 4.46Å; I81-F245 HydrophobicContact CG2-CD1 4.25Å; I81-F245 HydrophobicContact CG2-CE1 3.86Å; I81-F245 HydrophobicContact CG2-CZ 4.36Å; I81-F245 WeakPolarHBondContact O-CE1 3.48Å; L85-F245 HydrophobicContact CD2-CZ 4.1Å; L85-F245 HydrophobicContact CG-CZ 4.17Å; V230-F245 HydrophobicContact CG1-CB 4.19Å; Y234-F245 AromaticContact CD2-CD2 3.81Å; Y234-F245 HydrophobicContact CD2-CD2 3.81Å; Y234-F245 AromaticContact CD2-CE2 3.43Å; Y234-F245 HydrophobicContact CD2-CE2 3.43Å; Y234-F245 VanDerWaalsContact CD2-CE2 3.43Å; Y234-F245 AromaticContact CD2-CZ 3.99Å; Y234-F245 HydrophobicContact CD2-CZ 3.99Å; Y234-F245 HydrophobicContact CE2-CD2 4.23Å; Y234-F245 HydrophobicContact CE2-CE2 4.17Å; Y234-F245 AromaticContact CG-CE2 3.95Å; Y234-F245 HydrophobicContact CG-CE2 3.95Å; Y234-F245 HydrophobicContact CG-CZ 4.23Å; C236-F245 HydrophobicContact CB-CE2 4.39Å; T241-F245 HydrophobicContact CG2-CD1 4.32Å; T241-F245 HydrophobicContact CG2-CD2 4.27Å; T241-F245 HydrophobicContact CG2-CE1 3.67Å; T241-F245 HydrophobicContact CG2-CE2 3.61Å; T241-F245 HydrophobicContact CG2-CZ 3.27Å; T241-F245 WeakPolarHBondContact O-CD1 3.46Å; T241-F245 WeakPolarHBondContact O-CG 3.48Å; T241-F245 PolarHBondContact O-N 3.26Å; G242-F245 PolarHBondContact O-N 3.43Å; F245-G247 VanDerWaalsContact C-N 3.3Å; F245-G247 PolarHBondContact O-N 3.36Å; F245-A248 WeakPolarHBondContact O-CB 3.08Å; F245-A248 PolarHBondContact O-N 3.47Å; F245-A248 VanDerWaalsContact O-N 3.17Å; F245-I249 VanDerWaalsContact O-CG1 3.31Å; F245-I249 WeakPolarHBondContact O-CG1 3.36Å; F245-I249 PolarHBondContact O-N 2.83Å |
| 246 | L | 98.9 | Very high | 98.7 | Very high | 27 Ų | 27 | 35.4 Ų | 35.4 | 14% | 0.141 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -58 | -43.5 | 171 | -78.7 | 170.4 | 0 | 0 | 0 | 111.5 | P227 V230 G242 G243 A248 I249 L250 C257 A260 A261 | P227-L246 HydrophobicContact CB-CD1 4.31Å; V230-L246 HydrophobicContact CB-CG 4.34Å; V230-L246 HydrophobicContact CG1-CD2 4.25Å; V230-L246 HydrophobicContact CG1-CG 4.1Å; V230-L246 HydrophobicContact CG2-CD1 4.43Å; V230-L246 HydrophobicContact CG2-CD2 4.01Å; V230-L246 HydrophobicContact CG2-CG 4.18Å; G242-L246 PolarHBondContact O-N 3.48Å; G243-L246 PolarHBondContact O-N 3.47Å; L246-A248 VanDerWaalsContact C-N 3.34Å; L246-A248 PolarHBondContact O-N 3.18Å; L246-I249 PolarHBondContact O-N 3.35Å; L246-L250 VanDerWaalsContact O-CB 3.25Å; L246-L250 WeakPolarHBondContact O-CB 3.23Å; L246-L250 PolarHBondContact O-N 2.95Å; L246-C257 PolarHBondContact O-SG 3.27Å; L246-A260 HydrophobicContact CD2-CB 3.93Å; L246-A261 HydrophobicContact CD2-CB 4.39Å |
| 247 | G | 98.8 | Very high | 98.7 | Very high | 33 Ų | 33 | 36.2 Ų | 36.2 | 34% | 0.34 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -60.6 | -40.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | G243 I244 F245 L250 L251 | G243-G247 PolarHBondContact O-N 3.01Å; I244-G247 CarbonylContact O-C 3.34Å; I244-G247 WeakPolarHBondContact O-CA 3.27Å; I244-G247 PolarHBondContact O-N 3.32Å; I244-G247 VanDerWaalsContact O-N 3.16Å; F245-G247 VanDerWaalsContact C-N 3.3Å; F245-G247 PolarHBondContact O-N 3.36Å; G247-L250 PolarHBondContact O-N 2.91Å; G247-L251 PolarHBondContact O-N 3Å |
| 248 | A | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.2 | -40.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | S77 L80 I81 I244 F245 L246 | S77-A248 WeakPolarHBondContact CB-O 3.37Å; S77-A248 PolarHBondContact OG-O 2.93Å; L80-A248 HydrophobicContact CB-CB 3.71Å; L80-A248 HydrophobicContact CD1-CB 4.22Å; I81-A248 HydrophobicContact CD1-CB 4.15Å; I81-A248 HydrophobicContact CG1-CB 3.75Å; I244-A248 PolarHBondContact O-N 3.2Å; F245-A248 WeakPolarHBondContact O-CB 3.08Å; F245-A248 PolarHBondContact O-N 3.47Å; F245-A248 VanDerWaalsContact O-N 3.17Å; L246-A248 VanDerWaalsContact C-N 3.34Å; L246-A248 PolarHBondContact O-N 3.18Å |
| 249 | I | 98.8 | Very high | 98.7 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -68.2 | -44.7 | 174.8 | -61.6 | 164.7 | 0 | 0 | 0 | 110 | V70 V72 V230 F245 L246 L251 S252 S253 M256 C257 A260 | V70-I249 HydrophobicContact CB-CD1 4.12Å; V70-I249 HydrophobicContact CB-CG1 4.26Å; V70-I249 HydrophobicContact CG1-CD1 4.21Å; V70-I249 HydrophobicContact CG2-CD1 4.2Å; V70-I249 HydrophobicContact CG2-CG1 3.84Å; V72-I249 HydrophobicContact CG2-CG1 4.5Å; V230-I249 HydrophobicContact CG1-CD1 4.46Å; F245-I249 VanDerWaalsContact O-CG1 3.31Å; F245-I249 WeakPolarHBondContact O-CG1 3.36Å; F245-I249 PolarHBondContact O-N 2.83Å; L246-I249 PolarHBondContact O-N 3.35Å; I249-L251 VanDerWaalsContact C-N 3.29Å; I249-L251 PolarHBondContact O-N 2.86Å; I249-S252 PolarHBondContact O-N 3.23Å; I249-S253 PolarHBondContact O-N 3.29Å; I249-M256 HydrophobicContact CG2-CB 3.5Å; I249-M256 VanDerWaalsContact CG2-CB 3.5Å; I249-C257 HydrophobicContact CB-CB 4.37Å; I249-C257 HydrophobicContact CG2-CB 4Å; I249-C257 VanDerWaalsContact CG2-N 3.33Å; I249-A260 HydrophobicContact CD1-CB 4.16Å |
| 250 | L | 98.8 | Very high | 98.8 | Very high | 90 Ų | 90 | 33.8 Ų | 33.8 | 47% | 0.471 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -57.5 | -41.1 | 178.9 | 177.5 | 60 | 0 | 0 | 0 | 112.3 | L246 G247 S252 P254 C257 | L246-L250 VanDerWaalsContact O-CB 3.25Å; L246-L250 WeakPolarHBondContact O-CB 3.23Å; L246-L250 PolarHBondContact O-N 2.95Å; G247-L250 PolarHBondContact O-N 2.91Å; L250-S252 VanDerWaalsContact C-N 3.25Å; L250-S252 PolarHBondContact O-N 3.26Å; L250-P254 HydrophobicContact CD1-CB 3.94Å; L250-P254 HydrophobicContact CD1-CG 4.09Å; L250-C257 HydrophobicContact CB-CB 3.92Å; L250-C257 HydrophobicContact CD1-CB 4.26Å |
| 251 | L | 98.3 | Very high | 98.8 | Very high | 36 Ų | 36 | 25.7 Ų | 25.7 | 19% | 0.188 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -56.6 | -41.7 | 175.9 | 179.1 | 66.1 | 0 | 0 | 0 | 111.7 | L35 V38 T39 V76 L80 G247 I249 | L35-L251 HydrophobicContact CD1-CD1 4.37Å; V38-L251 HydrophobicContact CG2-CD1 3.83Å; T39-L251 WeakPolarHBondContact CA-O 3.34Å; T39-L251 WeakPolarHBondContact CG2-O 3.45Å; V76-L251 HydrophobicContact CB-CD2 3.97Å; V76-L251 HydrophobicContact CG1-CD2 3.51Å; L80-L251 HydrophobicContact CD1-CD2 3.94Å; G247-L251 PolarHBondContact O-N 3Å; I249-L251 VanDerWaalsContact C-N 3.29Å; I249-L251 PolarHBondContact O-N 2.86Å |
| 252 | S | 98.4 | Very high | 98.8 | Very high | 6 Ų | 6 | 27.7 Ų | 27.7 | 4% | 0.042 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -77.3 | -53.9 | 178.6 | 178.8 | 0 | 0 | 0 | 0 | 111.8 | G40 I249 L250 | G40-S252 WeakPolarHBondContact CA-O 3.43Å; G40-S252 PolarHBondContact N-O 3.23Å; G40-S252 PolarHBondContact O-OG 3.2Å; I249-S252 PolarHBondContact O-N 3.23Å; L250-S252 VanDerWaalsContact C-N 3.25Å; L250-S252 PolarHBondContact O-N 3.26Å |
| 253 | S | 98.7 | Very high | 98.8 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 17% | 0.171 | C | C | . | . | trans | -150.4 | 114.9 | -176.5 | 169.9 | 0 | 0 | 0 | 0 | 111.1 | I249 L255 M256 C257 E371 | I249-S253 PolarHBondContact O-N 3.29Å; S253-L255 PolarHBondContact O-N 3.5Å; S253-L255 PolarHBondContact OG-N 2.96Å; S253-M256 PolarHBondContact O-N 2.89Å; S253-M256 WeakPolarHBondContact OG-CG 3.28Å; S253-M256 PolarHBondContact OG-N 3.48Å; S253-M256 VanDerWaalsContact OG-N 3.16Å; S253-C257 PolarHBondContact O-N 3.24Å; S253-C257 VanDerWaalsContact O-N 3.11Å; S253-E371 WeakPolarHBondContact CB-OE2 3.25Å; S253-E371 VanDerWaalsContact OG-CD 3.24Å; S253-E371 PolarHBondContact OG-OE1 3.27Å; S253-E371 VanDerWaalsContact OG-OE1 3.05Å; S253-E371 PolarHBondContact OG-OE2 2.91Å | ||
| 254 | P | 98.7 | Very high | 98.8 | Very high | 74 Ų | 74 | 26 Ų | 26 | 48% | 0.481 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -56.8 | -35.5 | 170.8 | -26.4 | 34.4 | 0 | 0 | 0 | 113.7 | L250 C257 L258 E371 | L250-P254 HydrophobicContact CD1-CB 3.94Å; L250-P254 HydrophobicContact CD1-CG 4.09Å; P254-C257 PolarHBondContact O-N 2.87Å; P254-L258 WeakPolarHBondContact O-CB 3.44Å; P254-L258 PolarHBondContact O-N 2.85Å; P254-E371 WeakPolarHBondContact CD-OE1 3.27Å |
| 255 | L | 98.8 | Very high | 98.8 | Very high | 45 Ų | 45 | 28 Ų | 28 | 24% | 0.236 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -67.9 | -38.1 | 178.3 | -70.3 | 177 | 0 | 0 | 0 | 112.6 | S253 H259 L304 P370 E371 | S253-L255 PolarHBondContact O-N 3.5Å; S253-L255 PolarHBondContact OG-N 2.96Å; L255-H259 PolarHBondContact O-N 2.77Å; L255-H259 VanDerWaalsContact O-N 3.17Å; L255-H259 PolarHBondContact O-ND1 2.91Å; L255-L304 HydrophobicContact CD1-CD2 3.76Å; L255-L304 HydrophobicContact CD2-CD2 3.92Å; L255-L304 HydrophobicContact CG-CD2 4.35Å; L255-P370 HydrophobicContact CB-CB 3.82Å; L255-P370 HydrophobicContact CB-CG 4.27Å; L255-P370 HydrophobicContact CD1-CB 3.86Å; L255-E371 WeakPolarHBondContact CB-OE1 3.37Å; L255-E371 HydrophobicContact CD1-CG 3.85Å; L255-E371 HydrophobicContact CG-CG 4.37Å; L255-E371 WeakPolarHBondContact CG-OE1 3.39Å; L255-E371 PolarHBondContact N-OE1 3.25Å |
| 256 | M | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64.8 | -43.9 | 173.2 | -66.8 | 175.7 | 69.9 | 0 | 0 | 110.9 | V70 F71 V72 I249 S253 L258 H259 A260 I295 M300 P370 | V70-M256 WeakPolarHBondContact O-CE 3.43Å; F71-M256 HydrophobicContact CB-CE 3.93Å; V72-M256 HydrophobicContact CG2-CE 3.64Å; V72-M256 HydrophobicContact CG2-SD 4.26Å; I249-M256 HydrophobicContact CG2-CB 3.5Å; I249-M256 VanDerWaalsContact CG2-CB 3.5Å; S253-M256 PolarHBondContact O-N 2.89Å; S253-M256 WeakPolarHBondContact OG-CG 3.28Å; S253-M256 PolarHBondContact OG-N 3.48Å; S253-M256 VanDerWaalsContact OG-N 3.16Å; M256-L258 VanDerWaalsContact C-N 3.32Å; M256-L258 PolarHBondContact O-N 3.16Å; M256-H259 PolarHBondContact O-N 2.95Å; M256-A260 WeakPolarHBondContact O-CB 3.44Å; M256-A260 PolarHBondContact O-N 2.97Å; M256-I295 HydrophobicContact CB-CG2 4.07Å; M256-I295 HydrophobicContact CE-CG2 3.65Å; M256-I295 HydrophobicContact CG-CG2 4.1Å; M256-M300 HydrophobicContact CE-SD 4.45Å; M256-M300 HydrophobicContact SD-SD 4.39Å; M256-P370 VanDerWaalsContact CG-CD 3.46Å; M256-P370 HydrophobicContact CG-CG 3.53Å; M256-P370 HydrophobicContact SD-CG 4.43Å |
| 257 | C | 98.9 | Very high | 98.8 | Very high | 18 Ų | 18 | 28.1 Ų | 28.1 | 12% | 0.122 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.6 | -41.7 | 179 | -178.5 | 0 | 0 | 0 | 0 | 111.8 | L246 I249 L250 S253 P254 A260 A261 | L246-C257 PolarHBondContact O-SG 3.27Å; I249-C257 HydrophobicContact CB-CB 4.37Å; I249-C257 HydrophobicContact CG2-CB 4Å; I249-C257 VanDerWaalsContact CG2-N 3.33Å; L250-C257 HydrophobicContact CB-CB 3.92Å; L250-C257 HydrophobicContact CD1-CB 4.26Å; S253-C257 PolarHBondContact O-N 3.24Å; S253-C257 VanDerWaalsContact O-N 3.11Å; P254-C257 PolarHBondContact O-N 2.87Å; C257-A260 WeakPolarHBondContact O-CB 3.5Å; C257-A260 PolarHBondContact O-N 3.02Å; C257-A261 PolarHBondContact O-N 3.17Å; C257-A261 VanDerWaalsContact O-N 3.12Å |
| 258 | L | 98.9 | Very high | 98.8 | Very high | 91 Ų | 91 | 27 Ų | 27 | 48% | 0.476 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -59.6 | -48.9 | 176 | 177.9 | 63.5 | 0 | 0 | 0 | 111.2 | P254 M256 A260 A261 I262 | P254-L258 WeakPolarHBondContact O-CB 3.44Å; P254-L258 PolarHBondContact O-N 2.85Å; M256-L258 VanDerWaalsContact C-N 3.32Å; M256-L258 PolarHBondContact O-N 3.16Å; L258-A260 VanDerWaalsContact C-N 3.33Å; L258-A260 PolarHBondContact O-N 3.35Å; L258-A261 PolarHBondContact O-N 2.87Å; L258-I262 HydrophobicContact CD1-CD1 3.84Å; L258-I262 HydrophobicContact CD1-CG1 4.28Å; L258-I262 HydrophobicContact CD2-CD1 4.47Å; L258-I262 HydrophobicContact CG-CD1 3.78Å; L258-I262 VanDerWaalsContact O-CG1 3.3Å; L258-I262 WeakPolarHBondContact O-CG1 3.42Å; L258-I262 PolarHBondContact O-N 3.2Å |
| 259 | H | 98.9 | Very high | 98.8 | Very high | 3 Ų | 3 | 29.2 Ų | 29.2 | 1% | 0.014 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -69 | -31.4 | 179.3 | -72.2 | 89.1 | 0 | 0 | 0 | 112.7 | L255 M256 I262 G263 C294 G298 H309 | L255-H259 PolarHBondContact O-N 2.77Å; L255-H259 VanDerWaalsContact O-N 3.17Å; L255-H259 PolarHBondContact O-ND1 2.91Å; M256-H259 PolarHBondContact O-N 2.95Å; H259-I262 PolarHBondContact O-N 2.67Å; H259-G263 PolarHBondContact O-N 3.38Å; H259-C294 HydrophobicContact CB-CB 4.41Å; H259-C294 WeakPolarHBondContact O-CB 3.32Å; H259-G298 PolarHBondContact CE1-O 3.34Å; H259-G298 VanDerWaalsContact CE1-O 3.26Å; H259-G298 PolarHBondContact ND1-O 2.99Å; H259-H309 AromaticContact CD2-ND1 3.85Å; H259-H309 AromaticContact CE1-ND1 3.91Å; H259-H309 AromaticContact NE2-CE1 3.72Å; H259-H309 AromaticContact NE2-ND1 3Å; H259-H309 PolarHBondContact NE2-ND1 3.16Å |
| 260 | A | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -58.9 | -48.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | V230 L246 I249 M256 C257 L258 S264 S291 I295 | V230-A260 HydrophobicContact CG2-CB 4.5Å; L246-A260 HydrophobicContact CD2-CB 3.93Å; I249-A260 HydrophobicContact CD1-CB 4.16Å; M256-A260 WeakPolarHBondContact O-CB 3.44Å; M256-A260 PolarHBondContact O-N 2.97Å; C257-A260 WeakPolarHBondContact O-CB 3.5Å; C257-A260 PolarHBondContact O-N 3.02Å; L258-A260 VanDerWaalsContact C-N 3.33Å; L258-A260 PolarHBondContact O-N 3.35Å; A260-S264 PolarHBondContact O-N 3.42Å; A260-S264 VanDerWaalsContact O-N 3.12Å; A260-S291 VanDerWaalsContact CA-OG 3.27Å; A260-S291 WeakPolarHBondContact CA-OG 3.45Å; A260-S291 WeakPolarHBondContact O-CB 3.12Å; A260-S291 PolarHBondContact O-OG 2.65Å; A260-I295 HydrophobicContact CB-CD1 3.6Å; A260-I295 HydrophobicContact CB-CG1 3.75Å |
| 261 | A | 98.9 | Very high | 98.8 | Very high | 30 Ų | 30 | 24.9 Ų | 24.9 | 25% | 0.248 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -67.8 | -43.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | I226 L246 C257 L258 S264 L265 | I226-A261 HydrophobicContact CG2-CB 4.32Å; L246-A261 HydrophobicContact CD2-CB 4.39Å; C257-A261 PolarHBondContact O-N 3.17Å; C257-A261 VanDerWaalsContact O-N 3.12Å; L258-A261 PolarHBondContact O-N 2.87Å; A261-S264 PolarHBondContact O-N 3.38Å; A261-L265 WeakPolarHBondContact O-CB 3.48Å; A261-L265 PolarHBondContact O-N 2.86Å |
| 262 | I | 98.9 | Very high | 98.8 | Very high | 41 Ų | 41 | 25.1 Ų | 25.1 | 21% | 0.21 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62.5 | -45.3 | 177.1 | -69.6 | 171.8 | 0 | 0 | 0 | 111.1 | L258 H259 S264 L265 L266 L313 | L258-I262 HydrophobicContact CD1-CD1 3.84Å; L258-I262 HydrophobicContact CD1-CG1 4.28Å; L258-I262 HydrophobicContact CD2-CD1 4.47Å; L258-I262 HydrophobicContact CG-CD1 3.78Å; L258-I262 VanDerWaalsContact O-CG1 3.3Å; L258-I262 WeakPolarHBondContact O-CG1 3.42Å; L258-I262 PolarHBondContact O-N 3.2Å; H259-I262 PolarHBondContact O-N 2.67Å; I262-S264 VanDerWaalsContact C-N 3.34Å; I262-S264 PolarHBondContact O-N 3.48Å; I262-L265 WeakPolarHBondContact O-CB 3.36Å; I262-L265 PolarHBondContact O-N 2.67Å; I262-L266 HydrophobicContact CG2-CD1 4.04Å; I262-L266 HydrophobicContact CG2-CG 4.32Å; I262-L266 WeakPolarHBondContact O-CG 3.09Å; I262-L266 PolarHBondContact O-N 3.49Å; I262-L313 HydrophobicContact CG2-CD2 3.41Å; I262-L313 VanDerWaalsContact CG2-CD2 3.41Å |
| 263 | G | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.6 | -43.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | H259 L265 L266 G267 S290 | H259-G263 PolarHBondContact O-N 3.38Å; G263-L265 VanDerWaalsContact C-N 3.35Å; G263-L265 PolarHBondContact O-N 2.86Å; G263-L266 PolarHBondContact O-N 3.47Å; G263-G267 PolarHBondContact O-N 3.44Å; G263-S290 WeakPolarHBondContact O-CB 3.49Å; G263-S290 PolarHBondContact O-OG 3.05Å; G263-S290 VanDerWaalsContact O-OG 3.05Å |
| 264 | S | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.7 | -43.8 | 174.7 | -172.3 | 0 | 0 | 0 | 0 | 112 | I226 A260 A261 I262 L266 G267 I268 | I226-S264 WeakPolarHBondContact O-CB 3.27Å; I226-S264 PolarHBondContact O-OG 3.43Å; A260-S264 PolarHBondContact O-N 3.42Å; A260-S264 VanDerWaalsContact O-N 3.12Å; A261-S264 PolarHBondContact O-N 3.38Å; I262-S264 VanDerWaalsContact C-N 3.34Å; I262-S264 PolarHBondContact O-N 3.48Å; S264-L266 PolarHBondContact O-N 3.5Å; S264-G267 PolarHBondContact O-N 3.45Å; S264-I268 PolarHBondContact O-N 3.42Å; S264-I268 VanDerWaalsContact O-N 3.11Å |
| 265 | L | 98.9 | Very high | 98.8 | Very high | 89 Ų | 89 | 31.4 Ų | 31.4 | 47% | 0.466 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -62.2 | -41.2 | 174.7 | 179.6 | 63.1 | 0 | 0 | 0 | 113.2 | I226 A261 I262 G263 G267 I268 A269 | I226-L265 HydrophobicContact CD1-CD1 4.09Å; I226-L265 HydrophobicContact CG1-CD1 4.4Å; A261-L265 WeakPolarHBondContact O-CB 3.48Å; A261-L265 PolarHBondContact O-N 2.86Å; I262-L265 WeakPolarHBondContact O-CB 3.36Å; I262-L265 PolarHBondContact O-N 2.67Å; G263-L265 VanDerWaalsContact C-N 3.35Å; G263-L265 PolarHBondContact O-N 2.86Å; L265-G267 VanDerWaalsContact C-N 3.29Å; L265-G267 PolarHBondContact O-N 3.1Å; L265-I268 WeakPolarHBondContact O-CB 3.24Å; L265-I268 PolarHBondContact O-N 2.86Å; L265-A269 PolarHBondContact O-N 3.42Å |
| 266 | L | 98.9 | Very high | 98.7 | Very high | 32 Ų | 32 | 29.6 Ų | 29.6 | 17% | 0.168 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -66.8 | -32.9 | 176.1 | -71.4 | 176.2 | 0 | 0 | 0 | 111.9 | I262 G263 S264 A269 A270 L313 A316 L317 | I262-L266 HydrophobicContact CG2-CD1 4.04Å; I262-L266 HydrophobicContact CG2-CG 4.32Å; I262-L266 WeakPolarHBondContact O-CG 3.09Å; I262-L266 PolarHBondContact O-N 3.49Å; G263-L266 PolarHBondContact O-N 3.47Å; S264-L266 PolarHBondContact O-N 3.5Å; L266-A269 PolarHBondContact O-N 3.07Å; L266-A270 WeakPolarHBondContact O-CB 3.27Å; L266-A270 PolarHBondContact O-N 2.81Å; L266-L313 HydrophobicContact CD1-CB 3.91Å; L266-L313 HydrophobicContact CD1-CD2 3.83Å; L266-L313 HydrophobicContact CD1-CG 4.43Å; L266-A316 HydrophobicContact CB-CB 4.43Å; L266-A316 HydrophobicContact CD1-CB 3.87Å; L266-L317 HydrophobicContact CB-CD2 4Å; L266-L317 HydrophobicContact CB-CG 4.19Å; L266-L317 HydrophobicContact CD1-CG 4.38Å; L266-L317 HydrophobicContact CD2-CD1 4.32Å; L266-L317 HydrophobicContact CD2-CD2 4.11Å; L266-L317 HydrophobicContact CD2-CG 4.11Å; L266-L317 HydrophobicContact CG-CG 4.47Å; L266-L317 WeakPolarHBondContact O-CD2 3.44Å |
| 267 | G | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -57.9 | -49.1 | 169 | 0 | 0 | 0 | 0 | 0 | 112.6 | G263 S264 L265 A269 A270 G271 W286 S290 | G263-G267 PolarHBondContact O-N 3.44Å; S264-G267 PolarHBondContact O-N 3.45Å; L265-G267 VanDerWaalsContact C-N 3.29Å; L265-G267 PolarHBondContact O-N 3.1Å; G267-A269 VanDerWaalsContact C-N 3.33Å; G267-A269 PolarHBondContact O-N 3.35Å; G267-A270 PolarHBondContact O-N 2.98Å; G267-G271 PolarHBondContact O-N 3.04Å; G267-W286 WeakPolarHBondContact CA-O 3.5Å; G267-W286 WeakPolarHBondContact O-CB 3.22Å; G267-S290 WeakPolarHBondContact CA-OG 3.27Å |
| 268 | I | 98.9 | Very high | 98.6 | Very high | 9 Ų | 9 | 31.6 Ų | 31.6 | 5% | 0.046 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -56.6 | -48.1 | 174.8 | -64.9 | 164.5 | 0 | 0 | 0 | 110.8 | L222 S225 I226 S264 L265 A270 G271 L272 I281 | L222-I268 HydrophobicContact CD2-CG2 3.67Å; S225-I268 VanDerWaalsContact CB-CD1 3.5Å; I226-I268 HydrophobicContact CG1-CD1 3.72Å; S264-I268 PolarHBondContact O-N 3.42Å; S264-I268 VanDerWaalsContact O-N 3.11Å; L265-I268 WeakPolarHBondContact O-CB 3.24Å; L265-I268 PolarHBondContact O-N 2.86Å; I268-A270 VanDerWaalsContact C-N 3.33Å; I268-A270 PolarHBondContact O-N 3.48Å; I268-G271 PolarHBondContact O-N 2.99Å; I268-L272 HydrophobicContact CG2-CD1 4.15Å; I268-L272 WeakPolarHBondContact O-CG 3.2Å; I268-L272 PolarHBondContact O-N 3.49Å; I268-I281 HydrophobicContact CB-CG2 4.26Å; I268-I281 HydrophobicContact CG1-CG2 4.1Å; I268-I281 HydrophobicContact CG2-CG2 3.84Å |
| 269 | A | 98.8 | Very high | 98.6 | Very high | 48 Ų | 48 | 34.7 Ų | 34.7 | 40% | 0.397 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -60.7 | -41.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L265 L266 G267 L272 S273 | L265-A269 PolarHBondContact O-N 3.42Å; L266-A269 PolarHBondContact O-N 3.07Å; G267-A269 VanDerWaalsContact C-N 3.33Å; G267-A269 PolarHBondContact O-N 3.35Å; A269-L272 PolarHBondContact O-N 2.93Å; A269-S273 WeakPolarHBondContact O-CB 3.29Å; A269-S273 PolarHBondContact O-N 3.47Å |
| 270 | A | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.7 | -43.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L266 G267 I268 L272 S273 L274 W286 L317 A320 Y321 | L266-A270 WeakPolarHBondContact O-CB 3.27Å; L266-A270 PolarHBondContact O-N 2.81Å; G267-A270 PolarHBondContact O-N 2.98Å; I268-A270 VanDerWaalsContact C-N 3.33Å; I268-A270 PolarHBondContact O-N 3.48Å; A270-L272 PolarHBondContact O-N 3.49Å; A270-S273 PolarHBondContact O-N 3.45Å; A270-S273 PolarHBondContact O-OG 2.87Å; A270-L274 PolarHBondContact O-N 3.43Å; A270-L274 VanDerWaalsContact O-N 3.16Å; A270-W286 HydrophobicContact CB-CE3 4.23Å; A270-W286 HydrophobicContact CB-CZ3 4.25Å; A270-L317 HydrophobicContact CB-CD2 4.23Å; A270-A320 HydrophobicContact CB-CB 3.59Å; A270-Y321 HydrophobicContact CB-CD1 4.34Å; A270-Y321 HydrophobicContact CB-CE1 3.93Å |
| 271 | G | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.3 | -45.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | G267 I268 S273 L274 S275 A276 W286 | G267-G271 PolarHBondContact O-N 3.04Å; I268-G271 PolarHBondContact O-N 2.99Å; G271-S273 VanDerWaalsContact C-N 3.35Å; G271-S273 PolarHBondContact O-N 3.31Å; G271-L274 PolarHBondContact O-N 3.23Å; G271-S275 PolarHBondContact O-N 2.95Å; G271-A276 VanDerWaalsContact O-CB 3.27Å; G271-A276 WeakPolarHBondContact O-CB 3.26Å; G271-A276 PolarHBondContact O-N 3.26Å; G271-W286 VanDerWaalsContact CA-CZ3 3.46Å |
| 272 | L | 98.6 | Very high | 98.5 | Very high | 40 Ų | 40 | 38.1 Ų | 38.1 | 21% | 0.209 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.1 | -39.7 | 175.6 | -67.4 | 173.4 | 0 | 0 | 0 | 111.8 | W214 L217 L222 I268 A269 A270 L274 S275 F278 I281 | W214-L272 HydrophobicContact CZ3-CD2 4.5Å; L217-L272 HydrophobicContact CD1-CD2 3.88Å; L217-L272 HydrophobicContact CD2-CD2 4.49Å; L222-L272 HydrophobicContact CD1-CD1 4.38Å; L222-L272 HydrophobicContact CD2-CD1 4.18Å; L222-L272 HydrophobicContact CD2-CD2 4.49Å; I268-L272 HydrophobicContact CG2-CD1 4.15Å; I268-L272 WeakPolarHBondContact O-CG 3.2Å; I268-L272 PolarHBondContact O-N 3.49Å; A269-L272 PolarHBondContact O-N 2.93Å; A270-L272 PolarHBondContact O-N 3.49Å; L272-L274 PolarHBondContact O-N 2.97Å; L272-S275 PolarHBondContact O-N 3.38Å; L272-F278 HydrophobicContact CD2-CD1 4.33Å; L272-F278 HydrophobicContact CD2-CE1 4.09Å; L272-I281 HydrophobicContact CD2-CD1 3.7Å; L272-I281 HydrophobicContact CG-CD1 4Å |
| 273 | S | 98.7 | Very high | 98.5 | Very high | 72 Ų | 72 | 40.7 Ų | 40.7 | 50% | 0.503 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -64 | -28.4 | 179.5 | 76.3 | 0 | 0 | 0 | 0 | 113.8 | A269 A270 G271 Y321 | A269-S273 WeakPolarHBondContact O-CB 3.29Å; A269-S273 PolarHBondContact O-N 3.47Å; A270-S273 PolarHBondContact O-N 3.45Å; A270-S273 PolarHBondContact O-OG 2.87Å; G271-S273 VanDerWaalsContact C-N 3.35Å; G271-S273 PolarHBondContact O-N 3.31Å; S273-Y321 PolarHBondContact OG-OH 2.6Å |
| 274 | L | 98.3 | Very high | 98.5 | Very high | 92 Ų | 92 | 40.8 Ų | 40.8 | 48% | 0.482 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | 10.2 | 174.5 | -70.4 | -178 | 0 | 0 | 0 | 113.4 | A270 G271 L272 A276 W286 Y321 V324 | A270-L274 PolarHBondContact O-N 3.43Å; A270-L274 VanDerWaalsContact O-N 3.16Å; G271-L274 PolarHBondContact O-N 3.23Å; L272-L274 PolarHBondContact O-N 2.97Å; L274-A276 PolarHBondContact O-N 3.26Å; L274-W286 HydrophobicContact CB-CH2 4.07Å; L274-W286 HydrophobicContact CD1-CH2 3.74Å; L274-W286 HydrophobicContact CD1-CZ3 4.13Å; L274-W286 HydrophobicContact CG-CH2 4.43Å; L274-Y321 HydrophobicContact CD1-CD1 3.54Å; L274-Y321 HydrophobicContact CD1-CE1 3.82Å; L274-Y321 HydrophobicContact CD2-CE1 4.43Å; L274-Y321 HydrophobicContact CG-CD1 4.12Å; L274-Y321 HydrophobicContact CG-CE1 3.85Å; L274-V324 HydrophobicContact CD1-CG1 3.83Å |
| 275 | S | 97.8 | Very high | 98.5 | Very high | 48 Ų | 48 | 44.3 Ų | 44.3 | 34% | 0.336 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.7 | 46.1 | -177.2 | -170.4 | 0 | 0 | 0 | 0 | 111.5 | I212 G271 L272 | I212-S275 WeakPolarHBondContact CD1-O 3.35Å; I212-S275 VanDerWaalsContact CD1-OG 3.29Å; I212-S275 WeakPolarHBondContact CD1-OG 3.23Å; G271-S275 PolarHBondContact O-N 2.95Å; L272-S275 PolarHBondContact O-N 3.38Å |
| 276 | A | 97.8 | Very high | 98.4 | Very high | 7 Ų | 7 | 41.2 Ų | 41.2 | 6% | 0.058 | 22% | 0.223 | C | C | . | . | trans | -68.2 | 148.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | G271 L274 F278 I281 W286 | G271-A276 VanDerWaalsContact O-CB 3.27Å; G271-A276 WeakPolarHBondContact O-CB 3.26Å; G271-A276 PolarHBondContact O-N 3.26Å; L274-A276 PolarHBondContact O-N 3.26Å; A276-F278 PolarHBondContact O-N 3.14Å; A276-I281 HydrophobicContact CB-CD1 4.22Å; A276-I281 HydrophobicContact CB-CG1 4.26Å; A276-W286 HydrophobicContact CB-CH2 4.28Å; A276-W286 HydrophobicContact CB-CZ2 3.35Å | ||
| 277 | P | 97.8 | Very high | 98.4 | Very high | 36 Ų | 36 | 39.8 Ų | 39.8 | 23% | 0.234 | 22% | 0.216 | C | C | . | . | trans | -52.6 | 130.1 | 171.9 | -25.2 | 33.7 | 0 | 0 | 0 | 111 | P210 E279 N280 I281 | P210-P277 HydrophobicContact CB-CG 3.81Å; P210-P277 HydrophobicContact CG-CG 3.94Å; P277-E279 PolarHBondContact O-N 2.98Å; P277-N280 PolarHBondContact O-N 3.28Å; P277-I281 PolarHBondContact O-N 3.01Å | ||
| 278 | F | 98.2 | Very high | 98.4 | Very high | 25 Ų | 25 | 41 Ų | 41 | 11% | 0.11 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60 | -33 | -174.1 | -60.5 | -27.5 | 0 | 0 | 0 | 112.7 | I212 S213 W214 L217 L272 A276 N280 I281 Y282 | I212-F278 HydrophobicContact CG2-CE1 4.01Å; I212-F278 HydrophobicContact CG2-CE2 4.08Å; I212-F278 HydrophobicContact CG2-CZ 3.65Å; S213-F278 WeakPolarHBondContact O-CE2 3.49Å; W214-F278 HydrophobicContact CD2-CZ 4.28Å; W214-F278 HydrophobicContact CE3-CE1 4.42Å; W214-F278 HydrophobicContact CE3-CZ 4.07Å; W214-F278 HydrophobicContact CZ3-CE1 4.42Å; L217-F278 HydrophobicContact CB-CE2 3.91Å; L217-F278 HydrophobicContact CB-CZ 3.97Å; L217-F278 HydrophobicContact CD1-CD1 3.82Å; L217-F278 HydrophobicContact CD1-CD2 4.24Å; L217-F278 HydrophobicContact CD1-CE1 3.66Å; L217-F278 HydrophobicContact CD1-CE2 4.07Å; L217-F278 HydrophobicContact CD1-CG 4.13Å; L217-F278 HydrophobicContact CD1-CZ 3.79Å; L217-F278 HydrophobicContact CG-CZ 4.4Å; L272-F278 HydrophobicContact CD2-CD1 4.33Å; L272-F278 HydrophobicContact CD2-CE1 4.09Å; A276-F278 PolarHBondContact O-N 3.14Å; F278-N280 VanDerWaalsContact C-N 3.3Å; F278-N280 PolarHBondContact O-N 3.28Å; F278-I281 HydrophobicContact CD1-CD1 4.45Å; F278-I281 WeakPolarHBondContact O-CA 3.21Å; F278-I281 WeakPolarHBondContact O-CB 3.32Å; F278-I281 PolarHBondContact O-N 2.8Å; F278-Y282 HydrophobicContact CB-CD2 4.29Å; F278-Y282 HydrophobicContact CB-CE1 4.27Å; F278-Y282 HydrophobicContact CB-CE2 3.75Å; F278-Y282 WeakPolarHBondContact O-CB 3.37Å; F278-Y282 WeakPolarHBondContact O-CD1 3.12Å; F278-Y282 WeakPolarHBondContact O-CD2 3.41Å; F278-Y282 PolarHBondContact O-N 3.29Å |
| 279 | E | 97.7 | Very high | 98.4 | Very high | 157 Ų | 157 | 41 Ų | 41 | 73% | 0.734 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -56.2 | -42.6 | 175.5 | -64.3 | 178 | -173.8 | 0 | 0 | 112.3 | P277 I281 Y282 F283 | P277-E279 PolarHBondContact O-N 2.98Å; E279-I281 VanDerWaalsContact C-N 3.29Å; E279-I281 PolarHBondContact O-N 3.33Å; E279-Y282 PolarHBondContact O-N 2.94Å; E279-F283 WeakPolarHBondContact O-CB 3.12Å; E279-F283 PolarHBondContact O-N 3.48Å |
| 280 | N | 98.1 | Very high | 98.4 | Very high | 58 Ų | 58 | 38.7 Ų | 38.7 | 31% | 0.31 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -67 | -32.7 | 178.1 | -67.4 | -21.9 | 0 | 0 | 0 | 112 | P277 F278 L285 | P277-N280 PolarHBondContact O-N 3.28Å; F278-N280 VanDerWaalsContact C-N 3.3Å; F278-N280 PolarHBondContact O-N 3.28Å; N280-L285 HydrophobicContact CB-CD1 4.29Å; N280-L285 WeakPolarHBondContact O-CB 3.24Å; N280-L285 PolarHBondContact O-N 3.25Å |
| 281 | I | 98.6 | Very high | 98.4 | Very high | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -71.3 | -48.3 | 175.3 | -58.3 | 177.9 | 0 | 0 | 0 | 109.6 | L222 S225 I268 L272 A276 P277 F278 E279 F283 G284 W286 | L222-I281 HydrophobicContact CD2-CG2 4.08Å; S225-I281 PolarHBondContact OG-O 3.18Å; I268-I281 HydrophobicContact CB-CG2 4.26Å; I268-I281 HydrophobicContact CG1-CG2 4.1Å; I268-I281 HydrophobicContact CG2-CG2 3.84Å; L272-I281 HydrophobicContact CD2-CD1 3.7Å; L272-I281 HydrophobicContact CG-CD1 4Å; A276-I281 HydrophobicContact CB-CD1 4.22Å; A276-I281 HydrophobicContact CB-CG1 4.26Å; P277-I281 PolarHBondContact O-N 3.01Å; F278-I281 HydrophobicContact CD1-CD1 4.45Å; F278-I281 WeakPolarHBondContact O-CA 3.21Å; F278-I281 WeakPolarHBondContact O-CB 3.32Å; F278-I281 PolarHBondContact O-N 2.8Å; E279-I281 VanDerWaalsContact C-N 3.29Å; E279-I281 PolarHBondContact O-N 3.33Å; I281-F283 VanDerWaalsContact C-N 3.29Å; I281-F283 PolarHBondContact O-N 2.96Å; I281-G284 WeakPolarHBondContact O-CA 3.16Å; I281-G284 PolarHBondContact O-N 3.45Å; I281-W286 HydrophobicContact CG1-CG 4.47Å |
| 282 | Y | 98.8 | Very high | 98.4 | Very high | 46 Ų | 46 | 38.8 Ų | 38.8 | 18% | 0.18 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.7 | -34.2 | -179.9 | -60.2 | -16 | 0 | 0 | 0 | 112.6 | S218 E221 L222 S225 F278 E279 G284 | S218-Y282 PolarHBondContact N-OH 2.89Å; E221-Y282 HydrophobicContact CB-CD1 3.67Å; E221-Y282 HydrophobicContact CB-CD2 3.83Å; E221-Y282 HydrophobicContact CB-CE1 3.59Å; E221-Y282 HydrophobicContact CB-CE2 3.76Å; E221-Y282 HydrophobicContact CB-CG 3.8Å; E221-Y282 HydrophobicContact CG-CD2 4.27Å; E221-Y282 HydrophobicContact CG-CE2 4.17Å; L222-Y282 HydrophobicContact CD2-CD1 4.46Å; L222-Y282 HydrophobicContact CD2-CE1 3.87Å; L222-Y282 HydrophobicContact CG-CE1 4.1Å; S225-Y282 VanDerWaalsContact OG-CA 3.32Å; S225-Y282 WeakPolarHBondContact OG-CA 3.2Å; F278-Y282 HydrophobicContact CB-CD2 4.29Å; F278-Y282 HydrophobicContact CB-CE1 4.27Å; F278-Y282 HydrophobicContact CB-CE2 3.75Å; F278-Y282 WeakPolarHBondContact O-CB 3.37Å; F278-Y282 WeakPolarHBondContact O-CD1 3.12Å; F278-Y282 WeakPolarHBondContact O-CD2 3.41Å; F278-Y282 PolarHBondContact O-N 3.29Å; E279-Y282 PolarHBondContact O-N 2.94Å; Y282-G284 PolarHBondContact O-N 3.45Å |
| 283 | F | 98.4 | Very high | 98.5 | Very high | 95 Ų | 95 | 36.9 Ų | 36.9 | 42% | 0.417 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | 2.5 | 172.8 | -151.5 | -107.5 | 0 | 0 | 0 | 113.3 | V228 Q232 D237 E279 I281 L285 | V228-F283 WeakPolarHBondContact CG1-O 3.36Å; Q232-F283 VanDerWaalsContact CG-O 3.27Å; Q232-F283 WeakPolarHBondContact CG-O 3.35Å; Q232-F283 PolarHBondContact NE2-O 3.42Å; D237-F283 HydrophobicContact CB-CD1 4.43Å; D237-F283 HydrophobicContact CB-CD2 3.89Å; D237-F283 HydrophobicContact CB-CE1 3.94Å; D237-F283 HydrophobicContact CB-CE2 3.34Å; D237-F283 HydrophobicContact CB-CG 4.4Å; D237-F283 HydrophobicContact CB-CZ 3.37Å; D237-F283 WeakPolarHBondContact OD2-CE2 3.31Å; E279-F283 WeakPolarHBondContact O-CB 3.12Å; E279-F283 PolarHBondContact O-N 3.48Å; I281-F283 VanDerWaalsContact C-N 3.29Å; I281-F283 PolarHBondContact O-N 2.96Å; F283-L285 VanDerWaalsContact C-N 3.29Å; F283-L285 HydrophobicContact CB-CG 4.35Å; F283-L285 HydrophobicContact CD1-CD1 4.38Å; F283-L285 HydrophobicContact CD1-CD2 3.93Å; F283-L285 HydrophobicContact CD1-CG 4.03Å; F283-L285 PolarHBondContact O-N 3.11Å |
| 284 | G | 98.5 | Very high | 98.5 | Very high | 2 Ų | 2 | 33.5 Ų | 33.5 | 2% | 0.021 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75 | 8.9 | 174 | 0 | 0 | 0 | 0 | 0 | 115.4 | I281 Y282 W286 G287 | I281-G284 WeakPolarHBondContact O-CA 3.16Å; I281-G284 PolarHBondContact O-N 3.45Å; Y282-G284 PolarHBondContact O-N 3.45Å; G284-W286 PolarHBondContact O-N 3.48Å; G284-W286 VanDerWaalsContact O-N 3.11Å; G284-G287 PolarHBondContact O-N 3.02Å |
| 285 | L | 98.5 | Very high | 98.5 | Very high | 74 Ų | 74 | 29.1 Ų | 29.1 | 39% | 0.387 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -19.3 | -174.2 | -61 | -179 | 0 | 0 | 0 | 113.5 | N280 F283 F288 | N280-L285 HydrophobicContact CB-CD1 4.29Å; N280-L285 WeakPolarHBondContact O-CB 3.24Å; N280-L285 PolarHBondContact O-N 3.25Å; F283-L285 VanDerWaalsContact C-N 3.29Å; F283-L285 HydrophobicContact CB-CG 4.35Å; F283-L285 HydrophobicContact CD1-CD1 4.38Å; F283-L285 HydrophobicContact CD1-CD2 3.93Å; F283-L285 HydrophobicContact CD1-CG 4.03Å; F283-L285 PolarHBondContact O-N 3.11Å; L285-F288 WeakPolarHBondContact O-CE1 3.2Å |
| 286 | W | 98.8 | Very high | 98.6 | Very high | 24 Ų | 24 | 26.8 Ų | 26.8 | 9% | 0.091 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | -15 | 175 | -74.3 | 78.7 | 0 | 0 | 0 | 113.9 | G267 A270 G271 L274 A276 I281 G284 S290 A320 V324 | G267-W286 WeakPolarHBondContact CA-O 3.5Å; G267-W286 WeakPolarHBondContact O-CB 3.22Å; A270-W286 HydrophobicContact CB-CE3 4.23Å; A270-W286 HydrophobicContact CB-CZ3 4.25Å; G271-W286 VanDerWaalsContact CA-CZ3 3.46Å; L274-W286 HydrophobicContact CB-CH2 4.07Å; L274-W286 HydrophobicContact CD1-CH2 3.74Å; L274-W286 HydrophobicContact CD1-CZ3 4.13Å; L274-W286 HydrophobicContact CG-CH2 4.43Å; A276-W286 HydrophobicContact CB-CH2 4.28Å; A276-W286 HydrophobicContact CB-CZ2 3.35Å; I281-W286 HydrophobicContact CG1-CG 4.47Å; G284-W286 PolarHBondContact O-N 3.48Å; G284-W286 VanDerWaalsContact O-N 3.11Å; W286-S290 PolarHBondContact O-OG 2.91Å; W286-S290 VanDerWaalsContact O-OG 3.04Å; W286-A320 HydrophobicContact CE3-CB 4.49Å; W286-V324 HydrophobicContact CH2-CB 3.55Å; W286-V324 HydrophobicContact CH2-CG1 3.53Å; W286-V324 HydrophobicContact CH2-CG2 3.83Å; W286-V324 HydrophobicContact CZ2-CB 3.83Å; W286-V324 HydrophobicContact CZ2-CG1 4.3Å; W286-V324 HydrophobicContact CZ2-CG2 3.76Å; W286-V324 HydrophobicContact CZ3-CB 4.09Å; W286-V324 HydrophobicContact CZ3-CG1 3.91Å |
| 287 | G | 98.3 | Very high | 98.6 | Very high | 2 Ų | 2 | 26.5 Ų | 26.5 | 2% | 0.021 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | -28.5 | -167.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | G284 S290 S291 | G284-G287 PolarHBondContact O-N 3.02Å; G287-S290 PolarHBondContact O-OG 2.83Å; G287-S291 WeakPolarHBondContact O-CB 3.49Å; G287-S291 PolarHBondContact O-N 2.96Å |
| 288 | F | 98.8 | Very high | 98.6 | Very high | 26 Ų | 26 | 24.8 Ų | 24.8 | 11% | 0.114 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -74 | -44.1 | -168.5 | 66.1 | -84.2 | 0 | 0 | 0 | 114.1 | G229 Q232 I233 L285 S291 L292 C338 T339 | G229-F288 WeakPolarHBondContact O-CA 3.49Å; G229-F288 WeakPolarHBondContact O-CB 3.44Å; G229-F288 PolarHBondContact O-N 3.39Å; Q232-F288 HydrophobicContact CB-CB 3.71Å; Q232-F288 HydrophobicContact CB-CD1 3.78Å; Q232-F288 HydrophobicContact CB-CG 3.94Å; I233-F288 HydrophobicContact CG1-CB 3.94Å; L285-F288 WeakPolarHBondContact O-CE1 3.2Å; F288-S291 PolarHBondContact O-N 3.11Å; F288-L292 PolarHBondContact O-N 3.47Å; F288-C338 VanDerWaalsContact CE2-O 3.24Å; F288-C338 WeakPolarHBondContact CE2-O 3.47Å; F288-T339 HydrophobicContact CD2-CG2 3.91Å; F288-T339 HydrophobicContact CE2-CG2 3.88Å |
| 289 | N | 98.9 | Very high | 98.6 | Very high | 8 Ų | 8 | 23.6 Ų | 23.6 | 4% | 0.043 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -63.4 | -46.2 | 177.5 | -88.1 | -70.2 | 0 | 0 | 0 | 111.6 | L292 A293 T319 C338 T339 P341 F342 | N289-L292 PolarHBondContact O-N 2.92Å; N289-A293 PolarHBondContact O-N 3.29Å; N289-T319 HydrophobicContact CB-CG2 3.79Å; N289-T319 WeakPolarHBondContact O-CG2 3.44Å; N289-C338 PolarHBondContact ND2-O 3.39Å; N289-C338 PolarHBondContact OD1-O 3.32Å; N289-T339 VanDerWaalsContact OD1-CA 3.29Å; N289-T339 WeakPolarHBondContact OD1-CA 3.49Å; N289-P341 HydrophobicContact CB-CB 4.41Å; N289-F342 HydrophobicContact CB-CB 4.29Å; N289-F342 WeakPolarHBondContact OD1-CB 3.24Å; N289-F342 PolarHBondContact OD1-N 3.39Å |
| 290 | S | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -66.7 | -36 | 178 | 47.5 | 0 | 0 | 0 | 0 | 112.2 | G263 G267 W286 G287 C294 A316 | G263-S290 WeakPolarHBondContact O-CB 3.49Å; G263-S290 PolarHBondContact O-OG 3.05Å; G263-S290 VanDerWaalsContact O-OG 3.05Å; G267-S290 WeakPolarHBondContact CA-OG 3.27Å; W286-S290 PolarHBondContact O-OG 2.91Å; W286-S290 VanDerWaalsContact O-OG 3.04Å; G287-S290 PolarHBondContact O-OG 2.83Å; S290-C294 VanDerWaalsContact O-CB 3.28Å; S290-C294 WeakPolarHBondContact O-CB 3.43Å; S290-C294 PolarHBondContact O-N 3.33Å; S290-A316 VanDerWaalsContact CB-O 3.23Å; S290-A316 WeakPolarHBondContact CB-O 3.49Å |
| 291 | S | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -59.1 | -52.9 | 170.9 | -170.1 | 0 | 0 | 0 | 0 | 112 | A260 G287 F288 A293 C294 I295 | A260-S291 VanDerWaalsContact CA-OG 3.27Å; A260-S291 WeakPolarHBondContact CA-OG 3.45Å; A260-S291 WeakPolarHBondContact O-CB 3.12Å; A260-S291 PolarHBondContact O-OG 2.65Å; G287-S291 WeakPolarHBondContact O-CB 3.49Å; G287-S291 PolarHBondContact O-N 2.96Å; F288-S291 PolarHBondContact O-N 3.11Å; S291-A293 PolarHBondContact O-N 2.74Å; S291-C294 PolarHBondContact O-N 2.94Å; S291-I295 VanDerWaalsContact O-CG1 3.29Å; S291-I295 WeakPolarHBondContact O-CG1 3.43Å; S291-I295 PolarHBondContact O-N 2.94Å |
| 292 | L | 98.9 | Very high | 98.7 | Very high | 2 Ų | 2 | 15 Ų | 15 | 1% | 0.01 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -58.3 | -45.9 | 177.5 | -75.3 | 170.8 | 0 | 0 | 0 | 112.6 | V70 F71 I233 F288 N289 C294 I295 A296 T339 F342 | V70-L292 HydrophobicContact CG1-CD2 4.49Å; F71-L292 HydrophobicContact CE2-CD2 3.93Å; F71-L292 HydrophobicContact CZ-CD2 4.12Å; I233-L292 HydrophobicContact CD1-CD2 4.02Å; I233-L292 HydrophobicContact CD1-CG 4Å; I233-L292 HydrophobicContact CG1-CD1 4.45Å; I233-L292 HydrophobicContact CG1-CD2 4.39Å; I233-L292 HydrophobicContact CG1-CG 4.04Å; I233-L292 HydrophobicContact CG2-CD1 4.17Å; I233-L292 HydrophobicContact CG2-CD2 3.9Å; I233-L292 HydrophobicContact CG2-CG 4.18Å; F288-L292 PolarHBondContact O-N 3.47Å; N289-L292 PolarHBondContact O-N 2.92Å; L292-C294 VanDerWaalsContact C-N 3.32Å; L292-C294 PolarHBondContact O-N 3.03Å; L292-I295 PolarHBondContact O-N 3.2Å; L292-A296 WeakPolarHBondContact O-CB 3.46Å; L292-A296 PolarHBondContact O-N 3.23Å; L292-T339 HydrophobicContact CD1-CG2 3.76Å; L292-F342 HydrophobicContact CB-CB 4.31Å; L292-F342 HydrophobicContact CB-CD1 4.18Å; L292-F342 HydrophobicContact CB-CD2 3.49Å; L292-F342 VanDerWaalsContact CB-CD2 3.49Å; L292-F342 HydrophobicContact CB-CE1 4.48Å; L292-F342 HydrophobicContact CB-CE2 3.88Å; L292-F342 HydrophobicContact CB-CG 3.69Å; L292-F342 HydrophobicContact CB-CZ 4.38Å; L292-F342 HydrophobicContact CD1-CB 4.46Å; L292-F342 HydrophobicContact CD1-CD1 3.87Å; L292-F342 HydrophobicContact CD1-CE1 4.35Å; L292-F342 HydrophobicContact CD1-CG 4.04Å |
| 293 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -61.7 | -41 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | N289 S291 A296 M297 T319 F342 | N289-A293 PolarHBondContact O-N 3.29Å; S291-A293 PolarHBondContact O-N 2.74Å; A293-A296 PolarHBondContact O-N 3.27Å; A293-M297 WeakPolarHBondContact O-CB 3.33Å; A293-M297 WeakPolarHBondContact O-CG 3.08Å; A293-M297 PolarHBondContact O-N 3.27Å; A293-T319 HydrophobicContact CB-CG2 3.95Å; A293-T319 VanDerWaalsContact CB-OG1 3.31Å; A293-T319 WeakPolarHBondContact CB-OG1 3.11Å; A293-F342 HydrophobicContact CB-CD2 4.16Å |
| 294 | C | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 9.3 Ų | 9.3 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -66.8 | -40.8 | 178.9 | -152.3 | 0 | 0 | 0 | 0 | 111.8 | H259 S290 S291 L292 G298 A316 | H259-C294 HydrophobicContact CB-CB 4.41Å; H259-C294 WeakPolarHBondContact O-CB 3.32Å; S290-C294 VanDerWaalsContact O-CB 3.28Å; S290-C294 WeakPolarHBondContact O-CB 3.43Å; S290-C294 PolarHBondContact O-N 3.33Å; S291-C294 PolarHBondContact O-N 2.94Å; L292-C294 VanDerWaalsContact C-N 3.32Å; L292-C294 PolarHBondContact O-N 3.03Å; C294-G298 VanDerWaalsContact O-CA 3.26Å; C294-G298 WeakPolarHBondContact O-CA 3.46Å; C294-G298 PolarHBondContact O-N 3.39Å; C294-A316 HydrophobicContact CB-CB 3.88Å |
| 295 | I | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 9.8 Ų | 9.8 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -62.2 | -47.2 | 174 | -59 | 161 | 0 | 0 | 0 | 110.1 | F71 M256 A260 S291 L292 M297 G298 M300 | F71-I295 HydrophobicContact CD2-CB 4.16Å; F71-I295 HydrophobicContact CD2-CG2 3.69Å; F71-I295 HydrophobicContact CE2-CB 4.22Å; F71-I295 HydrophobicContact CE2-CG2 4.26Å; M256-I295 HydrophobicContact CB-CG2 4.07Å; M256-I295 HydrophobicContact CE-CG2 3.65Å; M256-I295 HydrophobicContact CG-CG2 4.1Å; A260-I295 HydrophobicContact CB-CD1 3.6Å; A260-I295 HydrophobicContact CB-CG1 3.75Å; S291-I295 VanDerWaalsContact O-CG1 3.29Å; S291-I295 WeakPolarHBondContact O-CG1 3.43Å; S291-I295 PolarHBondContact O-N 2.94Å; L292-I295 PolarHBondContact O-N 3.2Å; I295-M297 PolarHBondContact O-N 3.38Å; I295-G298 PolarHBondContact O-N 2.81Å; I295-M300 WeakPolarHBondContact O-CB 3.46Å |
| 296 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 6% | 0.063 | C | C | . | . | I | π-helix | trans | -61.8 | -45.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | F71 F176 L292 A293 M300 F301 F342 T346 | F71-A296 HydrophobicContact CE2-CB 4.05Å; F71-A296 HydrophobicContact CZ-CB 4.14Å; F176-A296 HydrophobicContact CE1-CB 4.41Å; L292-A296 WeakPolarHBondContact O-CB 3.46Å; L292-A296 PolarHBondContact O-N 3.23Å; A293-A296 PolarHBondContact O-N 3.27Å; A296-M300 WeakPolarHBondContact O-CB 3.11Å; A296-F301 HydrophobicContact CB-CD2 3.85Å; A296-F301 HydrophobicContact CB-CE2 4.21Å; A296-F301 PolarHBondContact O-N 3.05Å; A296-F342 HydrophobicContact CB-CE2 4.22Å; A296-T346 HydrophobicContact CB-CG2 3.74Å |
| 297 | M | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 6% | 0.063 | C | C | . | . | I | π-helix | trans | -82.4 | -27.3 | -179.1 | -65 | -59.3 | -67.1 | 0 | 0 | 113 | A293 I295 G299 M302 L311 A312 C315 T346 F349 L350 | A293-M297 WeakPolarHBondContact O-CB 3.33Å; A293-M297 WeakPolarHBondContact O-CG 3.08Å; A293-M297 PolarHBondContact O-N 3.27Å; I295-M297 PolarHBondContact O-N 3.38Å; M297-G299 PolarHBondContact O-N 3.06Å; M297-M302 HydrophobicContact CE-CG 3.61Å; M297-M302 HydrophobicContact CE-SD 4.43Å; M297-M302 HydrophobicContact SD-CG 4.11Å; M297-L311 HydrophobicContact CE-CD2 3.82Å; M297-L311 HydrophobicContact CE-CG 4.12Å; M297-A312 HydrophobicContact CB-CB 3.6Å; M297-C315 HydrophobicContact CG-CB 3.95Å; M297-T346 HydrophobicContact CG-CG2 4.22Å; M297-T346 HydrophobicContact SD-CG2 4.02Å; M297-F349 HydrophobicContact CE-CB 3.78Å; M297-F349 HydrophobicContact CE-CD1 4.41Å; M297-F349 HydrophobicContact SD-CB 4.13Å; M297-L350 HydrophobicContact CE-CD2 4.43Å; M297-L350 HydrophobicContact SD-CD2 3.79Å; M297-L350 HydrophobicContact SD-CG 4.02Å |
| 298 | G | 98.5 | Very high | 98.7 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 6% | 0.062 | C | C | . | . | I | π-helix | trans | -79.9 | 43.4 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | H259 C294 I295 | H259-G298 PolarHBondContact CE1-O 3.34Å; H259-G298 VanDerWaalsContact CE1-O 3.26Å; H259-G298 PolarHBondContact ND1-O 2.99Å; C294-G298 VanDerWaalsContact O-CA 3.26Å; C294-G298 WeakPolarHBondContact O-CA 3.46Å; C294-G298 PolarHBondContact O-N 3.39Å; I295-G298 PolarHBondContact O-N 2.81Å |
| 299 | G | 98.3 | Very high | 98.7 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 7% | 0.069 | C | C | . | . | I | π-helix | trans | 113.9 | -13.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | M297 M302 P370 N373 | M297-G299 PolarHBondContact O-N 3.06Å; G299-M302 CarbonylContact C-O 3.53Å; G299-M302 WeakPolarHBondContact CA-O 3.46Å; G299-M302 PolarHBondContact N-O 3.2Å; G299-P370 WeakPolarHBondContact O-CA 3.2Å; G299-N373 PolarHBondContact O-ND2 3.02Å |
| 300 | M | 98.6 | Very high | 98.7 | Very high | 9 Ų | 9 | 20.4 Ų | 20.4 | 4% | 0.044 | 9% | 0.092 | C | C | . | . | I | π-helix | trans | -80.9 | -64.3 | -177 | -168.9 | 65.4 | -173.8 | 0 | 0 | 111.9 | F71 M256 I295 A296 V367 T368 N373 | F71-M300 HydrophobicContact CB-CE 3.99Å; F71-M300 HydrophobicContact CB-CG 4.21Å; F71-M300 HydrophobicContact CB-SD 4.45Å; F71-M300 WeakPolarHBondContact O-CE 3.43Å; M256-M300 HydrophobicContact CE-SD 4.45Å; M256-M300 HydrophobicContact SD-SD 4.39Å; I295-M300 WeakPolarHBondContact O-CB 3.46Å; A296-M300 WeakPolarHBondContact O-CB 3.11Å; M300-V367 HydrophobicContact CE-CG1 3.59Å; M300-V367 HydrophobicContact CG-CG1 4.42Å; M300-V367 HydrophobicContact SD-CG1 4.29Å; M300-T368 WeakPolarHBondContact CE-O 3.35Å; M300-N373 PolarHBondContact O-ND2 2.94Å |
| 301 | F | 98.7 | Very high | 98.7 | Very high | 19 Ų | 19 | 21.7 Ų | 21.7 | 8% | 0.083 | 10% | 0.099 | C | C | . | . | S | Bend | trans | -98.8 | -12.3 | 179.5 | -62.7 | -79.3 | 0 | 0 | 0 | 113.3 | F71 P174 F176 A296 L350 M362 L364 V367 | F71-F301 AromaticContact CD1-CE2 3.91Å; F71-F301 HydrophobicContact CD1-CE2 3.91Å; F71-F301 HydrophobicContact CD1-CZ 4.21Å; F71-F301 HydrophobicContact CE1-CE2 4.19Å; F71-F301 HydrophobicContact CG-CE2 4.3Å; P174-F301 HydrophobicContact CB-CE1 3.88Å; P174-F301 HydrophobicContact CB-CZ 4.23Å; P174-F301 HydrophobicContact CG-CD1 4.03Å; P174-F301 HydrophobicContact CG-CE1 3.76Å; P174-F301 HydrophobicContact CG-CZ 4.13Å; F176-F301 HydrophobicContact CD1-CE2 4.46Å; F176-F301 AromaticContact CE1-CD2 3.91Å; F176-F301 HydrophobicContact CE1-CD2 3.91Å; F176-F301 AromaticContact CE1-CE2 3.52Å; F176-F301 HydrophobicContact CE1-CE2 3.52Å; F176-F301 AromaticContact CE1-CZ 3.88Å; F176-F301 HydrophobicContact CE1-CZ 3.88Å; F176-F301 HydrophobicContact CZ-CD2 4.25Å; F176-F301 HydrophobicContact CZ-CE2 4.3Å; A296-F301 HydrophobicContact CB-CD2 3.85Å; A296-F301 HydrophobicContact CB-CE2 4.21Å; A296-F301 PolarHBondContact O-N 3.05Å; F301-L350 HydrophobicContact CB-CD1 4.02Å; F301-L350 HydrophobicContact CB-CD2 3.81Å; F301-L350 HydrophobicContact CG-CD1 4.39Å; F301-M362 PolarHBondContact O-N 3.49Å; F301-L364 HydrophobicContact CD1-CD2 3.81Å; F301-L364 HydrophobicContact CE1-CD2 3.88Å; F301-V367 HydrophobicContact CD1-CG1 4.35Å; F301-V367 HydrophobicContact CD1-CG2 4.23Å; F301-V367 HydrophobicContact CE1-CG1 4.15Å |
| 302 | M | 98.7 | Very high | 98.7 | Very high | 8 Ų | 8 | 21.7 Ų | 21.7 | 4% | 0.039 | 10% | 0.099 | C | C | . | . | B | Isolated β-bridge | trans | -117.5 | 139.7 | 166.8 | -59 | -66 | -74.2 | 0 | 0 | 108.3 | M297 G299 L304 T308 L311 L350 I359 Y360 K361 | M297-M302 HydrophobicContact CE-CG 3.61Å; M297-M302 HydrophobicContact CE-SD 4.43Å; M297-M302 HydrophobicContact SD-CG 4.11Å; G299-M302 CarbonylContact C-O 3.53Å; G299-M302 WeakPolarHBondContact CA-O 3.46Å; G299-M302 PolarHBondContact N-O 3.2Å; M302-L304 PolarHBondContact O-N 3.24Å; M302-T308 HydrophobicContact CB-CG2 4.11Å; M302-T308 HydrophobicContact CE-CG2 4.22Å; M302-L311 HydrophobicContact CE-CD2 4.36Å; M302-L350 HydrophobicContact CG-CD2 3.97Å; M302-L350 HydrophobicContact SD-CD2 3.74Å; M302-I359 HydrophobicContact CE-CG2 3.4Å; M302-I359 VanDerWaalsContact CE-CG2 3.4Å; M302-Y360 CarbonylContact C-O 3.57Å; M302-Y360 WeakPolarHBondContact CA-O 3.16Å; M302-K361 HydrophobicContact CE-CB 4.5Å; M302-K361 VanDerWaalsContact SD-CA 3.51Å; M302-K361 HydrophobicContact SD-CB 3.76Å; M302-K361 HydrophobicContact SD-CG 4.31Å |
| 303 | A | 98.5 | Very high | 98.7 | Very high | 1 Ų | 1 | 23.6 Ų | 23.6 | 1% | 0.008 | 11% | 0.109 | C | C | . | . | trans | -64 | 128.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110 | T305 T308 Y360 M362 Y377 | A303-T305 PolarHBondContact O-N 3.43Å; A303-T308 WeakPolarHBondContact O-CG2 3.46Å; A303-T308 PolarHBondContact O-OG1 3.48Å; A303-Y360 HydrophobicContact CB-CD1 4.01Å; A303-Y360 PolarHBondContact N-O 2.92Å; A303-M362 HydrophobicContact CB-SD 3.94Å; A303-Y377 VanDerWaalsContact CB-CB 3.42Å; A303-Y377 HydrophobicContact CB-CD1 4Å; A303-Y377 HydrophobicContact CB-CD2 3.91Å; A303-Y377 HydrophobicContact CB-CG 3.49Å; A303-Y377 VanDerWaalsContact CB-CG 3.49Å | ||
| 304 | L | 98.7 | Very high | 98.7 | Very high | 20 Ų | 20 | 25.3 Ų | 25.3 | 11% | 0.105 | 13% | 0.126 | C | C | . | . | trans | -66.6 | 122.2 | -176.8 | -174.2 | 63.3 | 0 | 0 | 0 | 110 | L255 M302 T308 H309 R374 | L255-L304 HydrophobicContact CD1-CD2 3.76Å; L255-L304 HydrophobicContact CD2-CD2 3.92Å; L255-L304 HydrophobicContact CG-CD2 4.35Å; M302-L304 PolarHBondContact O-N 3.24Å; L304-T308 WeakPolarHBondContact CA-OG1 3.29Å; L304-H309 HydrophobicContact CD1-CB 4.11Å; L304-R374 PolarHBondContact O-NH1 3.48Å | ||
| 305 | T | 98.6 | Very high | 98.7 | Very high | 12 Ų | 12 | 25.3 Ų | 25.3 | 7% | 0.074 | 13% | 0.126 | C | C | . | . | trans | -139.3 | 173.5 | 169.4 | 64.6 | 0 | 0 | 0 | 0 | 107.2 | A303 Q307 T308 H309 N358 Y377 | A303-T305 PolarHBondContact O-N 3.43Å; T305-Q307 PolarHBondContact O-N 3.02Å; T305-Q307 PolarHBondContact OG1-N 3.35Å; T305-Q307 PolarHBondContact OG1-OE1 2.82Å; T305-T308 PolarHBondContact N-OG1 3.15Å; T305-T308 PolarHBondContact O-N 3.46Å; T305-T308 PolarHBondContact O-OG1 3.15Å; T305-T308 PolarHBondContact OG1-N 3.39Å; T305-T308 VanDerWaalsContact OG1-N 3.16Å; T305-T308 PolarHBondContact OG1-OG1 2.95Å; T305-H309 VanDerWaalsContact O-CB 3.3Å; T305-H309 WeakPolarHBondContact O-CB 3.23Å; T305-H309 PolarHBondContact O-N 3.31Å; T305-N358 WeakPolarHBondContact CG2-O 3.43Å; T305-N358 PolarHBondContact OG1-O 3.04Å; T305-Y377 HydrophobicContact CG2-CD1 4.4Å; T305-Y377 HydrophobicContact CG2-CE1 3.74Å | ||
| 306 | W | 98.6 | Very high | 98.7 | Very high | 180 Ų | 180 | 25.3 Ų | 25.3 | 68% | 0.682 | 13% | 0.126 | S | C | * | . | H | α-helix | trans | -66.1 | -31.4 | 175.6 | 68.7 | -99.5 | 0 | 0 | 0 | 111.2 | L310 | W306-L310 HydrophobicContact CE3-CD1 3.8Å; W306-L310 HydrophobicContact CZ3-CD1 3.82Å; W306-L310 WeakPolarHBondContact O-CG 3.45Å; W306-L310 PolarHBondContact O-N 3.21Å; W306-L310 VanDerWaalsContact O-N 3.09Å |
| 307 | Q | 98.7 | Very high | 98.7 | Very high | 22 Ų | 22 | 27.9 Ų | 27.9 | 10% | 0.103 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -67.3 | -47.5 | 176.2 | -61.3 | 88.2 | -20.7 | 0 | 0 | 111.8 | T305 H309 L310 L311 N358 I359 | T305-Q307 PolarHBondContact O-N 3.02Å; T305-Q307 PolarHBondContact OG1-N 3.35Å; T305-Q307 PolarHBondContact OG1-OE1 2.82Å; Q307-H309 VanDerWaalsContact C-N 3.32Å; Q307-L310 PolarHBondContact O-N 3.42Å; Q307-L311 PolarHBondContact O-N 2.89Å; Q307-N358 HydrophobicContact CG-CB 4.1Å; Q307-N358 VanDerWaalsContact NE2-CG 3.33Å; Q307-N358 PolarHBondContact NE2-ND2 3.49Å; Q307-I359 HydrophobicContact CB-CD1 4.41Å; Q307-I359 HydrophobicContact CB-CG1 3.85Å |
| 308 | T | 98.6 | Very high | 98.7 | Very high | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.006 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -73.3 | -26.1 | 178.8 | 54.8 | 0 | 0 | 0 | 0 | 112.2 | M302 A303 L304 T305 L311 A312 I359 | M302-T308 HydrophobicContact CB-CG2 4.11Å; M302-T308 HydrophobicContact CE-CG2 4.22Å; A303-T308 WeakPolarHBondContact O-CG2 3.46Å; A303-T308 PolarHBondContact O-OG1 3.48Å; L304-T308 WeakPolarHBondContact CA-OG1 3.29Å; T305-T308 PolarHBondContact N-OG1 3.15Å; T305-T308 PolarHBondContact O-N 3.46Å; T305-T308 PolarHBondContact O-OG1 3.15Å; T305-T308 PolarHBondContact OG1-N 3.39Å; T305-T308 VanDerWaalsContact OG1-N 3.16Å; T305-T308 PolarHBondContact OG1-OG1 2.95Å; T308-L311 PolarHBondContact O-N 2.68Å; T308-A312 WeakPolarHBondContact O-CB 3.36Å; T308-A312 PolarHBondContact O-N 2.98Å; T308-I359 HydrophobicContact CG2-CB 4.32Å; T308-I359 HydrophobicContact CG2-CG1 4.36Å; T308-I359 HydrophobicContact CG2-CG2 4.21Å |
| 309 | H | 98.8 | Very high | 98.7 | Very high | 56 Ų | 56 | 31.9 Ų | 31.9 | 26% | 0.259 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -61 | -51.7 | 167.6 | 179.6 | 64 | 0 | 0 | 0 | 111.1 | H259 L304 T305 Q307 L311 A312 L313 | H259-H309 AromaticContact CD2-ND1 3.85Å; H259-H309 AromaticContact CE1-ND1 3.91Å; H259-H309 AromaticContact NE2-CE1 3.72Å; H259-H309 AromaticContact NE2-ND1 3Å; H259-H309 PolarHBondContact NE2-ND1 3.16Å; L304-H309 HydrophobicContact CD1-CB 4.11Å; T305-H309 VanDerWaalsContact O-CB 3.3Å; T305-H309 WeakPolarHBondContact O-CB 3.23Å; T305-H309 PolarHBondContact O-N 3.31Å; Q307-H309 VanDerWaalsContact C-N 3.32Å; H309-L311 VanDerWaalsContact C-N 3.28Å; H309-L311 PolarHBondContact O-N 3.44Å; H309-A312 WeakPolarHBondContact O-CA 3.23Å; H309-A312 WeakPolarHBondContact O-CB 3.46Å; H309-A312 PolarHBondContact O-N 2.96Å; H309-L313 WeakPolarHBondContact O-CG 3.47Å; H309-L313 PolarHBondContact O-N 3.17Å |
| 310 | L | 98.8 | Very high | 98.8 | Very high | 98 Ų | 98 | 32 Ų | 32 | 51% | 0.513 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -59.3 | -39.4 | 175.1 | -67.5 | 177.6 | 0 | 0 | 0 | 112.3 | W306 Q307 A312 L313 G314 | W306-L310 HydrophobicContact CE3-CD1 3.8Å; W306-L310 HydrophobicContact CZ3-CD1 3.82Å; W306-L310 WeakPolarHBondContact O-CG 3.45Å; W306-L310 PolarHBondContact O-N 3.21Å; W306-L310 VanDerWaalsContact O-N 3.09Å; Q307-L310 PolarHBondContact O-N 3.42Å; L310-A312 VanDerWaalsContact C-N 3.31Å; L310-A312 PolarHBondContact O-N 3.44Å; L310-L313 HydrophobicContact CD2-CD1 4.26Å; L310-L313 PolarHBondContact O-N 3.38Å; L310-G314 PolarHBondContact O-N 2.99Å |
| 311 | L | 98.7 | Very high | 98.8 | Very high | 28 Ų | 28 | 36.1 Ų | 36.1 | 15% | 0.147 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61.9 | -39.1 | 174.2 | -174 | 64.8 | 0 | 0 | 0 | 111.8 | M297 M302 Q307 T308 H309 G314 C315 F349 M352 I359 | M297-L311 HydrophobicContact CE-CD2 3.82Å; M297-L311 HydrophobicContact CE-CG 4.12Å; M302-L311 HydrophobicContact CE-CD2 4.36Å; Q307-L311 PolarHBondContact O-N 2.89Å; T308-L311 PolarHBondContact O-N 2.68Å; H309-L311 VanDerWaalsContact C-N 3.28Å; H309-L311 PolarHBondContact O-N 3.44Å; L311-G314 PolarHBondContact O-N 2.96Å; L311-C315 WeakPolarHBondContact O-CB 3.32Å; L311-C315 PolarHBondContact O-N 3.14Å; L311-F349 HydrophobicContact CD1-CD1 3.78Å; L311-F349 HydrophobicContact CD1-CE1 3.9Å; L311-F349 HydrophobicContact CG-CD1 4.15Å; L311-M352 HydrophobicContact CD1-CE 3.99Å; L311-M352 HydrophobicContact CD2-CE 3.88Å; L311-I359 HydrophobicContact CD2-CG2 4.02Å |
| 312 | A | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.9 | -37.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | M297 T308 H309 L310 C315 A316 | M297-A312 HydrophobicContact CB-CB 3.6Å; T308-A312 WeakPolarHBondContact O-CB 3.36Å; T308-A312 PolarHBondContact O-N 2.98Å; H309-A312 WeakPolarHBondContact O-CA 3.23Å; H309-A312 WeakPolarHBondContact O-CB 3.46Å; H309-A312 PolarHBondContact O-N 2.96Å; L310-A312 VanDerWaalsContact C-N 3.31Å; L310-A312 PolarHBondContact O-N 3.44Å; A312-C315 PolarHBondContact O-N 2.98Å; A312-A316 WeakPolarHBondContact O-CB 3.47Å; A312-A316 PolarHBondContact O-N 2.89Å |
| 313 | L | 98.9 | Very high | 98.8 | Very high | 42 Ų | 42 | 37.7 Ų | 37.7 | 22% | 0.22 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.8 | -45.9 | 172.8 | -53.6 | -175.1 | 0 | 0 | 0 | 111.1 | I262 L266 H309 L310 C315 A316 L317 | I262-L313 HydrophobicContact CG2-CD2 3.41Å; I262-L313 VanDerWaalsContact CG2-CD2 3.41Å; L266-L313 HydrophobicContact CD1-CB 3.91Å; L266-L313 HydrophobicContact CD1-CD2 3.83Å; L266-L313 HydrophobicContact CD1-CG 4.43Å; H309-L313 WeakPolarHBondContact O-CG 3.47Å; H309-L313 PolarHBondContact O-N 3.17Å; L310-L313 HydrophobicContact CD2-CD1 4.26Å; L310-L313 PolarHBondContact O-N 3.38Å; L313-C315 VanDerWaalsContact C-N 3.34Å; L313-C315 PolarHBondContact O-N 3.07Å; L313-A316 PolarHBondContact O-N 3.25Å; L313-L317 PolarHBondContact O-N 3.16Å |
| 314 | G | 98.8 | Very high | 98.8 | Very high | 35 Ų | 35 | 39.4 Ų | 39.4 | 36% | 0.361 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -61.1 | -42.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L310 L311 F318 | L310-G314 PolarHBondContact O-N 2.99Å; L311-G314 PolarHBondContact O-N 2.96Å; G314-F318 WeakPolarHBondContact O-CB 3.44Å; G314-F318 PolarHBondContact O-N 3.21Å |
| 315 | C | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.8 | -44.1 | 175.7 | -169.5 | 0 | 0 | 0 | 0 | 111.7 | M297 L311 A312 L313 F318 T319 F349 | M297-C315 HydrophobicContact CG-CB 3.95Å; L311-C315 WeakPolarHBondContact O-CB 3.32Å; L311-C315 PolarHBondContact O-N 3.14Å; A312-C315 PolarHBondContact O-N 2.98Å; L313-C315 VanDerWaalsContact C-N 3.34Å; L313-C315 PolarHBondContact O-N 3.07Å; C315-F318 PolarHBondContact O-N 3.31Å; C315-T319 WeakPolarHBondContact O-CB 3.48Å; C315-T319 PolarHBondContact O-N 2.95Å; C315-T319 PolarHBondContact O-OG1 3.48Å; C315-F349 VanDerWaalsContact CA-CE1 3.49Å; C315-F349 HydrophobicContact CB-CD1 3.52Å; C315-F349 HydrophobicContact CB-CD2 4.4Å; C315-F349 HydrophobicContact CB-CE1 3.56Å; C315-F349 HydrophobicContact CB-CE2 4.42Å; C315-F349 HydrophobicContact CB-CG 3.96Å; C315-F349 HydrophobicContact CB-CZ 4.03Å; C315-F349 VanDerWaalsContact SG-CG 3.59Å |
| 316 | A | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62 | -45.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L266 S290 C294 A312 L313 T319 A320 | L266-A316 HydrophobicContact CB-CB 4.43Å; L266-A316 HydrophobicContact CD1-CB 3.87Å; S290-A316 VanDerWaalsContact CB-O 3.23Å; S290-A316 WeakPolarHBondContact CB-O 3.49Å; C294-A316 HydrophobicContact CB-CB 3.88Å; A312-A316 WeakPolarHBondContact O-CB 3.47Å; A312-A316 PolarHBondContact O-N 2.89Å; L313-A316 PolarHBondContact O-N 3.25Å; A316-T319 PolarHBondContact O-N 3.08Å; A316-A320 PolarHBondContact O-N 3.43Å |
| 317 | L | 98.8 | Very high | 98.8 | Very high | 54 Ų | 54 | 34.3 Ų | 34.3 | 28% | 0.283 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -62.8 | -48.8 | 174.7 | -78 | 171.7 | 0 | 0 | 0 | 111.9 | L266 A270 L313 T319 A320 Y321 | L266-L317 HydrophobicContact CB-CD2 4Å; L266-L317 HydrophobicContact CB-CG 4.19Å; L266-L317 HydrophobicContact CD1-CG 4.38Å; L266-L317 HydrophobicContact CD2-CD1 4.32Å; L266-L317 HydrophobicContact CD2-CD2 4.11Å; L266-L317 HydrophobicContact CD2-CG 4.11Å; L266-L317 HydrophobicContact CG-CG 4.47Å; L266-L317 WeakPolarHBondContact O-CD2 3.44Å; A270-L317 HydrophobicContact CB-CD2 4.23Å; L313-L317 PolarHBondContact O-N 3.16Å; L317-T319 PolarHBondContact O-N 3.11Å; L317-A320 PolarHBondContact O-N 2.99Å; L317-A320 VanDerWaalsContact O-N 3.15Å; L317-Y321 HydrophobicContact CB-CE2 4.49Å; L317-Y321 WeakPolarHBondContact O-CD2 3.38Å; L317-Y321 PolarHBondContact O-N 3.04Å; L317-Y321 VanDerWaalsContact O-N 3.15Å |
| 318 | F | 98.9 | Very high | 98.7 | Very high | 84 Ų | 84 | 37 Ų | 37 | 37% | 0.368 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -55.8 | -42.9 | 175.8 | 177.5 | -88.1 | 0 | 0 | 0 | 111.3 | G314 C315 A320 Y321 L322 A345 L348 F349 | G314-F318 WeakPolarHBondContact O-CB 3.44Å; G314-F318 PolarHBondContact O-N 3.21Å; C315-F318 PolarHBondContact O-N 3.31Å; F318-A320 VanDerWaalsContact C-N 3.35Å; F318-A320 PolarHBondContact O-N 3.34Å; F318-Y321 PolarHBondContact O-N 3.04Å; F318-L322 HydrophobicContact CE1-CB 4.42Å; F318-L322 HydrophobicContact CE1-CD2 4.11Å; F318-L322 WeakPolarHBondContact O-CB 3.41Å; F318-L322 PolarHBondContact O-N 3.22Å; F318-A345 HydrophobicContact CD1-CB 3.68Å; F318-A345 HydrophobicContact CE1-CB 3.83Å; F318-L348 HydrophobicContact CE1-CD2 4.2Å; F318-L348 HydrophobicContact CZ-CD2 4Å; F318-F349 HydrophobicContact CB-CE2 4.09Å; F318-F349 HydrophobicContact CB-CZ 4.02Å; F318-F349 AromaticContact CD1-CE2 3.78Å; F318-F349 HydrophobicContact CD1-CE2 3.78Å; F318-F349 HydrophobicContact CD2-CE2 4.5Å; F318-F349 HydrophobicContact CE1-CE2 4.36Å; F318-F349 AromaticContact CG-CE2 3.86Å; F318-F349 HydrophobicContact CG-CE2 3.86Å; F318-F349 HydrophobicContact CG-CZ 4.23Å |
| 319 | T | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.4 | -37.6 | 179.5 | -59.5 | 0 | 0 | 0 | 0 | 112 | N289 A293 C315 A316 L317 G323 F342 A345 | N289-T319 HydrophobicContact CB-CG2 3.79Å; N289-T319 WeakPolarHBondContact O-CG2 3.44Å; A293-T319 HydrophobicContact CB-CG2 3.95Å; A293-T319 VanDerWaalsContact CB-OG1 3.31Å; A293-T319 WeakPolarHBondContact CB-OG1 3.11Å; C315-T319 WeakPolarHBondContact O-CB 3.48Å; C315-T319 PolarHBondContact O-N 2.95Å; C315-T319 PolarHBondContact O-OG1 3.48Å; A316-T319 PolarHBondContact O-N 3.08Å; L317-T319 PolarHBondContact O-N 3.11Å; T319-G323 PolarHBondContact O-N 2.97Å; T319-F342 HydrophobicContact CG2-CB 4.33Å; T319-A345 HydrophobicContact CG2-CB 4.23Å; T319-A345 WeakPolarHBondContact OG1-CB 3.17Å |
| 320 | A | 98.9 | Very high | 98.7 | Very high | 3 Ų | 3 | 41.5 Ų | 41.5 | 3% | 0.025 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.1 | -43.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | A270 W286 A316 L317 F318 G323 V324 | A270-A320 HydrophobicContact CB-CB 3.59Å; W286-A320 HydrophobicContact CE3-CB 4.49Å; A316-A320 PolarHBondContact O-N 3.43Å; L317-A320 PolarHBondContact O-N 2.99Å; L317-A320 VanDerWaalsContact O-N 3.15Å; F318-A320 VanDerWaalsContact C-N 3.35Å; F318-A320 PolarHBondContact O-N 3.34Å; A320-G323 WeakPolarHBondContact O-CA 3.4Å; A320-G323 PolarHBondContact O-N 2.85Å; A320-G323 VanDerWaalsContact O-N 3.11Å; A320-V324 PolarHBondContact O-N 3.01Å; A320-V324 VanDerWaalsContact O-N 3.16Å |
| 321 | Y | 98.9 | Very high | 98.7 | Very high | 96 Ų | 96 | 37.3 Ų | 37.3 | 38% | 0.376 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -65.4 | -42.9 | 175.6 | -66.1 | -55.7 | 0 | 0 | 0 | 112.7 | A270 S273 L274 L317 F318 G323 V324 G325 | A270-Y321 HydrophobicContact CB-CD1 4.34Å; A270-Y321 HydrophobicContact CB-CE1 3.93Å; S273-Y321 PolarHBondContact OG-OH 2.6Å; L274-Y321 HydrophobicContact CD1-CD1 3.54Å; L274-Y321 HydrophobicContact CD1-CE1 3.82Å; L274-Y321 HydrophobicContact CD2-CE1 4.43Å; L274-Y321 HydrophobicContact CG-CD1 4.12Å; L274-Y321 HydrophobicContact CG-CE1 3.85Å; L317-Y321 HydrophobicContact CB-CE2 4.49Å; L317-Y321 WeakPolarHBondContact O-CD2 3.38Å; L317-Y321 PolarHBondContact O-N 3.04Å; L317-Y321 VanDerWaalsContact O-N 3.15Å; F318-Y321 PolarHBondContact O-N 3.04Å; Y321-G323 PolarHBondContact O-N 3.44Å; Y321-V324 WeakPolarHBondContact O-CG1 3.43Å; Y321-V324 PolarHBondContact O-N 3.45Å; Y321-G325 PolarHBondContact O-N 3.36Å; Y321-G325 VanDerWaalsContact O-N 3.1Å |
| 322 | L | 98.9 | Very high | 98.6 | Very high | 49 Ų | 49 | 42.5 Ų | 42.5 | 26% | 0.257 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -61.3 | -34.8 | 171.6 | -176.3 | 61.4 | 0 | 0 | 0 | 110.7 | F318 G325 M326 P341 L344 A345 | F318-L322 HydrophobicContact CE1-CB 4.42Å; F318-L322 HydrophobicContact CE1-CD2 4.11Å; F318-L322 WeakPolarHBondContact O-CB 3.41Å; F318-L322 PolarHBondContact O-N 3.22Å; L322-G325 PolarHBondContact O-N 3.3Å; L322-M326 HydrophobicContact CD1-CG 3.94Å; L322-M326 HydrophobicContact CD1-SD 4.29Å; L322-M326 HydrophobicContact CG-CG 4.16Å; L322-M326 HydrophobicContact CG-SD 4.17Å; L322-M326 WeakPolarHBondContact O-CB 3.32Å; L322-M326 WeakPolarHBondContact O-CG 3.47Å; L322-M326 PolarHBondContact O-N 3.46Å; L322-P341 HydrophobicContact CB-CB 4.43Å; L322-P341 HydrophobicContact CD2-CB 4.46Å; L322-P341 HydrophobicContact CG-CB 4.17Å; L322-L344 HydrophobicContact CD2-CB 4.2Å; L322-A345 HydrophobicContact CD2-CB 4.04Å |
| 323 | G | 98.6 | Very high | 98.5 | Very high | 11 Ų | 11 | 48.1 Ų | 48.1 | 11% | 0.113 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -52.7 | -58.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | T319 A320 Y321 G325 M326 A327 | T319-G323 PolarHBondContact O-N 2.97Å; A320-G323 WeakPolarHBondContact O-CA 3.4Å; A320-G323 PolarHBondContact O-N 2.85Å; A320-G323 VanDerWaalsContact O-N 3.11Å; Y321-G323 PolarHBondContact O-N 3.44Å; G323-G325 VanDerWaalsContact C-N 3.34Å; G323-G325 PolarHBondContact O-N 2.64Å; G323-M326 PolarHBondContact O-N 2.99Å; G323-A327 WeakPolarHBondContact O-CB 3.46Å; G323-A327 PolarHBondContact O-N 2.97Å |
| 324 | V | 98.4 | Very high | 98.4 | Very high | 36 Ų | 36 | 47.8 Ų | 47.8 | 22% | 0.218 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -66.2 | -36.8 | 177.9 | 64.7 | 0 | 0 | 0 | 0 | 112.1 | L274 W286 A320 Y321 M326 A327 N328 | L274-V324 HydrophobicContact CD1-CG1 3.83Å; W286-V324 HydrophobicContact CH2-CB 3.55Å; W286-V324 HydrophobicContact CH2-CG1 3.53Å; W286-V324 HydrophobicContact CH2-CG2 3.83Å; W286-V324 HydrophobicContact CZ2-CB 3.83Å; W286-V324 HydrophobicContact CZ2-CG1 4.3Å; W286-V324 HydrophobicContact CZ2-CG2 3.76Å; W286-V324 HydrophobicContact CZ3-CB 4.09Å; W286-V324 HydrophobicContact CZ3-CG1 3.91Å; A320-V324 PolarHBondContact O-N 3.01Å; A320-V324 VanDerWaalsContact O-N 3.16Å; Y321-V324 WeakPolarHBondContact O-CG1 3.43Å; Y321-V324 PolarHBondContact O-N 3.45Å; V324-M326 PolarHBondContact O-N 3.38Å; V324-A327 PolarHBondContact O-N 3.23Å; V324-N328 VanDerWaalsContact O-CG 3.29Å; V324-N328 PolarHBondContact O-N 3.36Å; V324-N328 PolarHBondContact O-ND2 2.92Å |
| 325 | G | 98.6 | Very high | 98.4 | Very high | 38 Ų | 38 | 47 Ų | 47 | 39% | 0.392 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -60.6 | -46.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y321 L322 G323 F329 | Y321-G325 PolarHBondContact O-N 3.36Å; Y321-G325 VanDerWaalsContact O-N 3.1Å; L322-G325 PolarHBondContact O-N 3.3Å; G323-G325 VanDerWaalsContact C-N 3.34Å; G323-G325 PolarHBondContact O-N 2.64Å; G325-F329 WeakPolarHBondContact O-CB 3.16Å; G325-F329 PolarHBondContact O-N 2.98Å |
| 326 | M | 98.7 | Very high | 98.4 | Very high | 27 Ų | 27 | 48 Ų | 48 | 13% | 0.133 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -71.3 | -35.9 | 176.4 | -67.2 | -166.3 | 74.7 | 0 | 0 | 112.6 | L322 G323 V324 N328 F329 M330 A337 W340 P341 L344 | L322-M326 HydrophobicContact CD1-CG 3.94Å; L322-M326 HydrophobicContact CD1-SD 4.29Å; L322-M326 HydrophobicContact CG-CG 4.16Å; L322-M326 HydrophobicContact CG-SD 4.17Å; L322-M326 WeakPolarHBondContact O-CB 3.32Å; L322-M326 WeakPolarHBondContact O-CG 3.47Å; L322-M326 PolarHBondContact O-N 3.46Å; G323-M326 PolarHBondContact O-N 2.99Å; V324-M326 PolarHBondContact O-N 3.38Å; M326-N328 VanDerWaalsContact C-N 3.32Å; M326-N328 PolarHBondContact O-N 3.36Å; M326-F329 PolarHBondContact O-N 3.34Å; M326-M330 HydrophobicContact CE-SD 4.24Å; M326-M330 VanDerWaalsContact O-CB 3.32Å; M326-M330 WeakPolarHBondContact O-CB 3.4Å; M326-M330 VanDerWaalsContact O-CG 3.31Å; M326-M330 WeakPolarHBondContact O-CG 3.29Å; M326-M330 PolarHBondContact O-N 3.22Å; M326-A337 HydrophobicContact CB-CB 3.91Å; M326-W340 HydrophobicContact CE-CB 3.53Å; M326-W340 HydrophobicContact CE-CG 4.16Å; M326-W340 HydrophobicContact SD-CB 3.94Å; M326-P341 HydrophobicContact CB-CG 4.11Å; M326-P341 HydrophobicContact CG-CG 4.36Å; M326-P341 HydrophobicContact SD-CB 4.31Å; M326-P341 HydrophobicContact SD-CG 3.93Å; M326-L344 HydrophobicContact CE-CD1 3.9Å; M326-L344 HydrophobicContact SD-CD1 3.85Å |
| 327 | A | 98.4 | Very high | 98.3 | Very high | 41 Ų | 41 | 48.3 Ų | 48.3 | 34% | 0.339 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -60.2 | -44.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | G323 V324 A331 A337 | G323-A327 WeakPolarHBondContact O-CB 3.46Å; G323-A327 PolarHBondContact O-N 2.97Å; V324-A327 PolarHBondContact O-N 3.23Å; A327-A331 VanDerWaalsContact O-CB 3.24Å; A327-A331 WeakPolarHBondContact O-CB 3.1Å; A327-A331 PolarHBondContact O-N 2.84Å; A327-A337 HydrophobicContact CB-CB 4.25Å |
| 328 | N | 98.1 | Very high | 98.3 | Very high | 77 Ų | 77 | 46.5 Ų | 46.5 | 41% | 0.412 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -64.8 | -47.7 | 175.1 | -67.9 | -14.8 | 0 | 0 | 0 | 111.6 | V324 M326 M330 A331 | V324-N328 VanDerWaalsContact O-CG 3.29Å; V324-N328 PolarHBondContact O-N 3.36Å; V324-N328 PolarHBondContact O-ND2 2.92Å; M326-N328 VanDerWaalsContact C-N 3.32Å; M326-N328 PolarHBondContact O-N 3.36Å; N328-M330 PolarHBondContact O-N 3.46Å; N328-A331 PolarHBondContact O-N 3.44Å |
| 329 | F | 98.4 | Very high | 98.3 | Very high | 137 Ų | 137 | 42.7 Ų | 42.7 | 60% | 0.601 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -58.8 | -46.9 | 179.2 | 171.5 | -105.6 | 0 | 0 | 0 | 112.5 | G325 M326 E332 | G325-F329 WeakPolarHBondContact O-CB 3.16Å; G325-F329 PolarHBondContact O-N 2.98Å; M326-F329 PolarHBondContact O-N 3.34Å; F329-E332 WeakPolarHBondContact O-CB 3.24Å; F329-E332 PolarHBondContact O-N 3.27Å |
| 330 | M | 98.5 | Very high | 98.3 | Very high | 15 Ų | 15 | 44.8 Ų | 44.8 | 7% | 0.074 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -76.9 | -23.1 | -176.7 | -66.9 | -175.3 | 64.5 | 0 | 0 | 112.9 | M326 N328 E332 D333 G334 L335 P336 A337 | M326-M330 HydrophobicContact CE-SD 4.24Å; M326-M330 VanDerWaalsContact O-CB 3.32Å; M326-M330 WeakPolarHBondContact O-CB 3.4Å; M326-M330 VanDerWaalsContact O-CG 3.31Å; M326-M330 WeakPolarHBondContact O-CG 3.29Å; M326-M330 PolarHBondContact O-N 3.22Å; N328-M330 PolarHBondContact O-N 3.46Å; M330-E332 PolarHBondContact O-N 2.93Å; M330-D333 CarbonylContact O-C 3.57Å; M330-D333 PolarHBondContact O-N 3.04Å; M330-D333 VanDerWaalsContact O-N 3.13Å; M330-G334 PolarHBondContact O-N 2.9Å; M330-L335 CarbonylContact C-O 3.6Å; M330-L335 HydrophobicContact CB-CB 4.15Å; M330-L335 WeakPolarHBondContact CB-O 3.48Å; M330-L335 HydrophobicContact CE-CB 3.9Å; M330-L335 HydrophobicContact CE-CD1 4.13Å; M330-L335 PolarHBondContact O-N 3.31Å; M330-P336 WeakPolarHBondContact CE-O 3.29Å; M330-A337 VanDerWaalsContact SD-CA 3.59Å; M330-A337 HydrophobicContact SD-CB 4.03Å |
| 331 | A | 97.9 | Very high | 98.3 | Very high | 10 Ų | 10 | 44.6 Ų | 44.6 | 8% | 0.083 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.4 | -27.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | V203 P205 A327 N328 D333 G334 L335 | V203-A331 HydrophobicContact CG1-CB 3.88Å; P205-A331 HydrophobicContact CB-CB 4.29Å; A327-A331 VanDerWaalsContact O-CB 3.24Å; A327-A331 WeakPolarHBondContact O-CB 3.1Å; A327-A331 PolarHBondContact O-N 2.84Å; N328-A331 PolarHBondContact O-N 3.44Å; A331-D333 PolarHBondContact O-N 3.4Å; A331-G334 PolarHBondContact O-N 3.45Å; A331-L335 PolarHBondContact N-O 2.94Å |
| 332 | E | 97.6 | Very high | 98.3 | Very high | 138 Ų | 138 | 40 Ų | 40 | 65% | 0.645 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -31.5 | 173 | -61.7 | -61.4 | 150.7 | 0 | 0 | 112.2 | P205 F329 M330 | P205-E332 VanDerWaalsContact CB-OE1 3.32Å; P205-E332 WeakPolarHBondContact CB-OE1 3.11Å; F329-E332 WeakPolarHBondContact O-CB 3.24Å; F329-E332 PolarHBondContact O-N 3.27Å; M330-E332 PolarHBondContact O-N 2.93Å |
| 333 | D | 96.3 | Very high | 98.3 | Very high | 117 Ų | 117 | 37.7 Ų | 37.7 | 63% | 0.626 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.5 | 10.3 | 176.1 | -64 | -57 | 0 | 0 | 0 | 112.8 | M330 A331 L335 | M330-D333 CarbonylContact O-C 3.57Å; M330-D333 PolarHBondContact O-N 3.04Å; M330-D333 VanDerWaalsContact O-N 3.13Å; A331-D333 PolarHBondContact O-N 3.4Å; D333-L335 VanDerWaalsContact C-N 3.34Å; D333-L335 PolarHBondContact O-N 3.23Å |
| 334 | G | 97.3 | Very high | 98.3 | Very high | 35 Ų | 35 | 40.8 Ų | 40.8 | 36% | 0.361 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.5 | 24.8 | 180 | 0 | 0 | 0 | 0 | 0 | 114.6 | M330 A331 | M330-G334 PolarHBondContact O-N 2.9Å; A331-G334 PolarHBondContact O-N 3.45Å |
| 335 | L | 98.4 | Very high | 98.3 | Very high | 18 Ų | 18 | 39.1 Ų | 39.1 | 9% | 0.094 | 22% | 0.222 | C | C | . | . | trans | -114.3 | 145.7 | -176.7 | -66 | 174.8 | 0 | 0 | 0 | 113.2 | L188 S189 M330 A331 D333 | L188-L335 HydrophobicContact CB-CD2 3.67Å; S189-L335 WeakPolarHBondContact OG-CD1 3.3Å; M330-L335 CarbonylContact C-O 3.6Å; M330-L335 HydrophobicContact CB-CB 4.15Å; M330-L335 WeakPolarHBondContact CB-O 3.48Å; M330-L335 HydrophobicContact CE-CB 3.9Å; M330-L335 HydrophobicContact CE-CD1 4.13Å; M330-L335 PolarHBondContact O-N 3.31Å; A331-L335 PolarHBondContact N-O 2.94Å; D333-L335 VanDerWaalsContact C-N 3.34Å; D333-L335 PolarHBondContact O-N 3.23Å | ||
| 336 | P | 98.2 | Very high | 98.3 | Very high | 21 Ų | 21 | 37.3 Ų | 37.3 | 14% | 0.136 | 20% | 0.203 | C | C | . | . | trans | -79.6 | 143.5 | 167 | 32.7 | -33.6 | 0 | 0 | 0 | 111.5 | F136 L188 M330 C338 | F136-P336 HydrophobicContact CD1-CG 4.22Å; F136-P336 HydrophobicContact CD2-CG 4.1Å; F136-P336 HydrophobicContact CE1-CB 3.76Å; F136-P336 HydrophobicContact CE1-CG 3.82Å; F136-P336 HydrophobicContact CE2-CB 4.09Å; F136-P336 HydrophobicContact CE2-CG 3.69Å; F136-P336 HydrophobicContact CG-CG 4.36Å; F136-P336 HydrophobicContact CZ-CB 3.48Å; F136-P336 VanDerWaalsContact CZ-CB 3.48Å; F136-P336 HydrophobicContact CZ-CG 3.55Å; L188-P336 HydrophobicContact CD1-CG 3.6Å; M330-P336 WeakPolarHBondContact CE-O 3.29Å; P336-C338 VanDerWaalsContact C-N 3.31Å; P336-C338 PolarHBondContact O-N 3.5Å | ||
| 337 | A | 98.2 | Very high | 98.4 | Very high | 8 Ų | 8 | 36.8 Ų | 36.8 | 7% | 0.066 | 20% | 0.201 | C | C | . | . | trans | -71.8 | -23.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | M326 A327 M330 T339 W340 P341 | M326-A337 HydrophobicContact CB-CB 3.91Å; A327-A337 HydrophobicContact CB-CB 4.25Å; M330-A337 VanDerWaalsContact SD-CA 3.59Å; M330-A337 HydrophobicContact SD-CB 4.03Å; A337-T339 PolarHBondContact O-N 2.82Å; A337-W340 WeakPolarHBondContact O-CB 3.41Å; A337-W340 PolarHBondContact O-N 3.37Å; A337-P341 HydrophobicContact CB-CG 4.36Å | ||
| 338 | C | 98.5 | Very high | 98.4 | Very high | 15 Ų | 15 | 39.6 Ų | 39.6 | 10% | 0.101 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 46.8 | -126.4 | -178.1 | -58.9 | 0 | 0 | 0 | 0 | 111.3 | F180 N181 L184 F288 N289 P336 | F180-C338 HydrophobicContact CE1-CB 3.91Å; F180-C338 HydrophobicContact CZ-CB 4.03Å; N181-C338 WeakPolarHBondContact OD1-CB 3.45Å; L184-C338 VanDerWaalsContact CD2-SG 3.56Å; F288-C338 VanDerWaalsContact CE2-O 3.24Å; F288-C338 WeakPolarHBondContact CE2-O 3.47Å; N289-C338 PolarHBondContact ND2-O 3.39Å; N289-C338 PolarHBondContact OD1-O 3.32Å; P336-C338 VanDerWaalsContact C-N 3.31Å; P336-C338 PolarHBondContact O-N 3.5Å |
| 339 | T | 98.7 | Very high | 98.4 | Very high | 5 Ų | 5 | 37.6 Ų | 37.6 | 3% | 0.031 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.9 | 16.9 | -178.2 | 57.3 | 0 | 0 | 0 | 0 | 114.1 | T177 F180 N181 F288 N289 L292 A337 P341 F342 C343 | T177-T339 PolarHBondContact OG1-OG1 3.04Å; F180-T339 WeakPolarHBondContact CE1-OG1 3.48Å; N181-T339 VanDerWaalsContact ND2-C 3.29Å; N181-T339 PolarHBondContact ND2-OG1 2.96Å; N181-T339 PolarHBondContact OD1-N 3.32Å; N181-T339 PolarHBondContact OD1-OG1 3.13Å; F288-T339 HydrophobicContact CD2-CG2 3.91Å; F288-T339 HydrophobicContact CE2-CG2 3.88Å; N289-T339 VanDerWaalsContact OD1-CA 3.29Å; N289-T339 WeakPolarHBondContact OD1-CA 3.49Å; L292-T339 HydrophobicContact CD1-CG2 3.76Å; A337-T339 PolarHBondContact O-N 2.82Å; T339-P341 VanDerWaalsContact C-N 3.29Å; T339-F342 PolarHBondContact O-N 3.15Å; T339-C343 PolarHBondContact O-N 3.46Å; T339-C343 VanDerWaalsContact O-N 3.11Å; T339-C343 PolarHBondContact O-SG 3.17Å |
| 340 | W | 98.9 | Very high | 98.4 | Very high | 43 Ų | 43 | 31.4 Ų | 31.4 | 16% | 0.163 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -50.7 | -45.1 | 166.2 | -79.9 | 113 | 0 | 0 | 0 | 112.7 | L178 N181 M182 S185 M326 A337 F342 C343 L344 | L178-W340 HydrophobicContact CD2-CE3 3.87Å; L178-W340 HydrophobicContact CD2-CH2 4.31Å; L178-W340 HydrophobicContact CD2-CZ3 3.47Å; L178-W340 VanDerWaalsContact CD2-CZ3 3.47Å; N181-W340 HydrophobicContact CB-CD2 3.74Å; N181-W340 VanDerWaalsContact CB-CE2 3.49Å; N181-W340 HydrophobicContact CB-CE3 4.42Å; N181-W340 HydrophobicContact CB-CG 3.94Å; N181-W340 HydrophobicContact CB-CZ2 3.95Å; N181-W340 PolarHBondContact ND2-N 3.06Å; N181-W340 PolarHBondContact OD1-N 2.94Å; N181-W340 VanDerWaalsContact OD1-N 3.12Å; M182-W340 HydrophobicContact CE-CH2 4.07Å; M182-W340 HydrophobicContact CG-CH2 3.59Å; M182-W340 HydrophobicContact CG-CZ2 3.84Å; S185-W340 PolarHBondContact OG-NE1 2.94Å; S185-W340 VanDerWaalsContact OG-NE1 3.09Å; M326-W340 HydrophobicContact CE-CB 3.53Å; M326-W340 HydrophobicContact CE-CG 4.16Å; M326-W340 HydrophobicContact SD-CB 3.94Å; A337-W340 WeakPolarHBondContact O-CB 3.41Å; A337-W340 PolarHBondContact O-N 3.37Å; W340-F342 PolarHBondContact O-N 2.78Å; W340-C343 PolarHBondContact O-N 2.92Å; W340-L344 HydrophobicContact CE3-CD1 4.5Å; W340-L344 HydrophobicContact CE3-CG 4.45Å; W340-L344 WeakPolarHBondContact O-CG 3.34Å; W340-L344 PolarHBondContact O-N 3.12Å |
| 341 | P | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -58.9 | -47.3 | 179.7 | -22.7 | 32.8 | 0 | 0 | 0 | 112.6 | N289 L322 M326 A337 T339 C343 A345 | N289-P341 HydrophobicContact CB-CB 4.41Å; L322-P341 HydrophobicContact CB-CB 4.43Å; L322-P341 HydrophobicContact CD2-CB 4.46Å; L322-P341 HydrophobicContact CG-CB 4.17Å; M326-P341 HydrophobicContact CB-CG 4.11Å; M326-P341 HydrophobicContact CG-CG 4.36Å; M326-P341 HydrophobicContact SD-CB 4.31Å; M326-P341 HydrophobicContact SD-CG 3.93Å; A337-P341 HydrophobicContact CB-CG 4.36Å; T339-P341 VanDerWaalsContact C-N 3.29Å; P341-C343 PolarHBondContact O-N 3.27Å; P341-A345 WeakPolarHBondContact O-CB 3.37Å; P341-A345 PolarHBondContact O-N 3.42Å |
| 342 | F | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -55.9 | -50.8 | 175.3 | 150.1 | -109.1 | 0 | 0 | 0 | 111.8 | F71 F176 T177 N289 L292 A293 A296 T319 T339 W340 T346 | F71-F342 AromaticContact CE1-CZ 3.96Å; F71-F342 HydrophobicContact CE1-CZ 3.96Å; F71-F342 HydrophobicContact CZ-CE1 4.22Å; F71-F342 AromaticContact CZ-CE2 3.84Å; F71-F342 HydrophobicContact CZ-CE2 3.84Å; F71-F342 AromaticContact CZ-CZ 3.4Å; F71-F342 HydrophobicContact CZ-CZ 3.4Å; F176-F342 HydrophobicContact CB-CE1 3.81Å; F176-F342 HydrophobicContact CB-CZ 3.92Å; F176-F342 HydrophobicContact CD1-CE1 4.32Å; F176-F342 HydrophobicContact CD1-CE2 4.49Å; F176-F342 AromaticContact CD1-CZ 3.59Å; F176-F342 HydrophobicContact CD1-CZ 3.59Å; F176-F342 HydrophobicContact CD2-CZ 4.2Å; F176-F342 HydrophobicContact CE1-CZ 4.03Å; F176-F342 HydrophobicContact CG-CE1 4.1Å; F176-F342 AromaticContact CG-CZ 3.67Å; F176-F342 HydrophobicContact CG-CZ 3.67Å; T177-F342 HydrophobicContact CG2-CE1 4.42Å; N289-F342 HydrophobicContact CB-CB 4.29Å; N289-F342 WeakPolarHBondContact OD1-CB 3.24Å; N289-F342 PolarHBondContact OD1-N 3.39Å; L292-F342 HydrophobicContact CB-CB 4.31Å; L292-F342 HydrophobicContact CB-CD1 4.18Å; L292-F342 HydrophobicContact CB-CD2 3.49Å; L292-F342 VanDerWaalsContact CB-CD2 3.49Å; L292-F342 HydrophobicContact CB-CE1 4.48Å; L292-F342 HydrophobicContact CB-CE2 3.88Å; L292-F342 HydrophobicContact CB-CG 3.69Å; L292-F342 HydrophobicContact CB-CZ 4.38Å; L292-F342 HydrophobicContact CD1-CB 4.46Å; L292-F342 HydrophobicContact CD1-CD1 3.87Å; L292-F342 HydrophobicContact CD1-CE1 4.35Å; L292-F342 HydrophobicContact CD1-CG 4.04Å; A293-F342 HydrophobicContact CB-CD2 4.16Å; A296-F342 HydrophobicContact CB-CE2 4.22Å; T319-F342 HydrophobicContact CG2-CB 4.33Å; T339-F342 PolarHBondContact O-N 3.15Å; W340-F342 PolarHBondContact O-N 2.78Å; F342-T346 VanDerWaalsContact CD2-OG1 3.26Å; F342-T346 WeakPolarHBondContact CD2-OG1 3.45Å; F342-T346 HydrophobicContact CE2-CG2 4.3Å; F342-T346 VanDerWaalsContact CE2-OG1 3.3Å; F342-T346 WeakPolarHBondContact CE2-OG1 3.35Å; F342-T346 VanDerWaalsContact O-CB 3.24Å; F342-T346 WeakPolarHBondContact O-CB 3.2Å; F342-T346 PolarHBondContact O-N 2.89Å; F342-T346 PolarHBondContact O-OG1 2.81Å |
| 343 | C | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60 | -51.3 | -177.4 | -72.1 | 0 | 0 | 0 | 0 | 111.6 | T177 L178 T339 W340 P341 L347 | T177-C343 PolarHBondContact OG1-SG 3.34Å; L178-C343 HydrophobicContact CD2-CB 3.59Å; L178-C343 HydrophobicContact CG-CB 3.93Å; T339-C343 PolarHBondContact O-N 3.46Å; T339-C343 VanDerWaalsContact O-N 3.11Å; T339-C343 PolarHBondContact O-SG 3.17Å; W340-C343 PolarHBondContact O-N 2.92Å; P341-C343 PolarHBondContact O-N 3.27Å; C343-L347 WeakPolarHBondContact O-CB 3.35Å; C343-L347 WeakPolarHBondContact O-CD1 3.32Å; C343-L347 WeakPolarHBondContact O-CG 3.21Å; C343-L347 PolarHBondContact O-N 2.94Å |
| 344 | L | 98.9 | Very high | 98.5 | Very high | 76 Ų | 76 | 36.9 Ų | 36.9 | 40% | 0.398 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -68.1 | -44.6 | -175.4 | -63.7 | 178.6 | 0 | 0 | 0 | 111.7 | L322 M326 W340 L348 | L322-L344 HydrophobicContact CD2-CB 4.2Å; M326-L344 HydrophobicContact CE-CD1 3.9Å; M326-L344 HydrophobicContact SD-CD1 3.85Å; W340-L344 HydrophobicContact CE3-CD1 4.5Å; W340-L344 HydrophobicContact CE3-CG 4.45Å; W340-L344 WeakPolarHBondContact O-CG 3.34Å; W340-L344 PolarHBondContact O-N 3.12Å; L344-L348 WeakPolarHBondContact O-CB 3.45Å; L344-L348 PolarHBondContact O-N 3.24Å |
| 345 | A | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.8 | -48.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | F318 T319 L322 P341 L347 L348 F349 | F318-A345 HydrophobicContact CD1-CB 3.68Å; F318-A345 HydrophobicContact CE1-CB 3.83Å; T319-A345 HydrophobicContact CG2-CB 4.23Å; T319-A345 WeakPolarHBondContact OG1-CB 3.17Å; L322-A345 HydrophobicContact CD2-CB 4.04Å; P341-A345 WeakPolarHBondContact O-CB 3.37Å; P341-A345 PolarHBondContact O-N 3.42Å; A345-L347 PolarHBondContact O-N 3.34Å; A345-L348 WeakPolarHBondContact O-CB 3.4Å; A345-L348 PolarHBondContact O-N 2.87Å; A345-F349 WeakPolarHBondContact O-CD2 3.36Å; A345-F349 PolarHBondContact O-N 3.44Å |
| 346 | T | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -67.6 | -40 | -176.3 | -50.6 | 0 | 0 | 0 | 0 | 111.2 | F176 A296 M297 F342 F349 L350 | F176-T346 HydrophobicContact CE1-CG2 4.37Å; F176-T346 HydrophobicContact CE2-CG2 3.62Å; F176-T346 HydrophobicContact CZ-CG2 3.4Å; A296-T346 HydrophobicContact CB-CG2 3.74Å; M297-T346 HydrophobicContact CG-CG2 4.22Å; M297-T346 HydrophobicContact SD-CG2 4.02Å; F342-T346 VanDerWaalsContact CD2-OG1 3.26Å; F342-T346 WeakPolarHBondContact CD2-OG1 3.45Å; F342-T346 HydrophobicContact CE2-CG2 4.3Å; F342-T346 VanDerWaalsContact CE2-OG1 3.3Å; F342-T346 WeakPolarHBondContact CE2-OG1 3.35Å; F342-T346 VanDerWaalsContact O-CB 3.24Å; F342-T346 WeakPolarHBondContact O-CB 3.2Å; F342-T346 PolarHBondContact O-N 2.89Å; F342-T346 PolarHBondContact O-OG1 2.81Å; T346-F349 PolarHBondContact O-N 3.43Å; T346-L350 HydrophobicContact CG2-CD1 4.29Å; T346-L350 HydrophobicContact CG2-CG 4.46Å; T346-L350 WeakPolarHBondContact O-CB 3.34Å; T346-L350 WeakPolarHBondContact O-CG 2.85Å; T346-L350 PolarHBondContact O-N 3.01Å |
| 347 | L | 98.9 | Very high | 98.2 | Very high | 17 Ų | 17 | 50.7 Ų | 50.7 | 9% | 0.089 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.6 | -43.8 | 173.9 | -73.8 | 170.7 | 0 | 0 | 0 | 111.8 | L173 F176 L178 C343 A345 F349 L350 I351 | L173-L347 HydrophobicContact CB-CD2 4.02Å; L173-L347 HydrophobicContact CD1-CD2 4.23Å; L173-L347 HydrophobicContact CD2-CD2 4.31Å; L173-L347 HydrophobicContact CG-CD2 4.42Å; F176-L347 HydrophobicContact CD2-CD1 4.49Å; F176-L347 HydrophobicContact CD2-CD2 4Å; F176-L347 HydrophobicContact CD2-CG 3.86Å; F176-L347 HydrophobicContact CE2-CD2 3.86Å; F176-L347 HydrophobicContact CE2-CG 3.89Å; L178-L347 HydrophobicContact CD1-CD1 3.83Å; C343-L347 WeakPolarHBondContact O-CB 3.35Å; C343-L347 WeakPolarHBondContact O-CD1 3.32Å; C343-L347 WeakPolarHBondContact O-CG 3.21Å; C343-L347 PolarHBondContact O-N 2.94Å; A345-L347 PolarHBondContact O-N 3.34Å; L347-F349 VanDerWaalsContact C-N 3.3Å; L347-F349 PolarHBondContact O-N 3.47Å; L347-L350 PolarHBondContact O-N 3.5Å; L347-I351 WeakPolarHBondContact O-CB 3.37Å; L347-I351 WeakPolarHBondContact O-CD1 3.34Å; L347-I351 VanDerWaalsContact O-CG1 3.24Å; L347-I351 WeakPolarHBondContact O-CG1 3.48Å; L347-I351 PolarHBondContact O-N 3.36Å |
| 348 | L | 98.8 | Very high | 98.2 | Very high | 100 Ų | 100 | 52.3 Ų | 52.3 | 52% | 0.524 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -56.4 | -45.9 | 175.8 | 177.5 | 64.8 | 0 | 0 | 0 | 111.3 | F318 L344 A345 I351 M352 | F318-L348 HydrophobicContact CE1-CD2 4.2Å; F318-L348 HydrophobicContact CZ-CD2 4Å; L344-L348 WeakPolarHBondContact O-CB 3.45Å; L344-L348 PolarHBondContact O-N 3.24Å; A345-L348 WeakPolarHBondContact O-CB 3.4Å; A345-L348 PolarHBondContact O-N 2.87Å; L348-I351 PolarHBondContact O-N 3.11Å; L348-M352 PolarHBondContact O-N 2.92Å |
| 349 | F | 98.7 | Very high | 98.1 | Very high | 34 Ų | 34 | 53.3 Ų | 53.3 | 15% | 0.149 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -69.8 | -31.8 | 179.2 | -84.4 | -114.7 | 0 | 0 | 0 | 113.2 | M297 L311 C315 F318 A345 T346 L347 M352 | M297-F349 HydrophobicContact CE-CB 3.78Å; M297-F349 HydrophobicContact CE-CD1 4.41Å; M297-F349 HydrophobicContact SD-CB 4.13Å; L311-F349 HydrophobicContact CD1-CD1 3.78Å; L311-F349 HydrophobicContact CD1-CE1 3.9Å; L311-F349 HydrophobicContact CG-CD1 4.15Å; C315-F349 VanDerWaalsContact CA-CE1 3.49Å; C315-F349 HydrophobicContact CB-CD1 3.52Å; C315-F349 HydrophobicContact CB-CD2 4.4Å; C315-F349 HydrophobicContact CB-CE1 3.56Å; C315-F349 HydrophobicContact CB-CE2 4.42Å; C315-F349 HydrophobicContact CB-CG 3.96Å; C315-F349 HydrophobicContact CB-CZ 4.03Å; C315-F349 VanDerWaalsContact SG-CG 3.59Å; F318-F349 HydrophobicContact CB-CE2 4.09Å; F318-F349 HydrophobicContact CB-CZ 4.02Å; F318-F349 AromaticContact CD1-CE2 3.78Å; F318-F349 HydrophobicContact CD1-CE2 3.78Å; F318-F349 HydrophobicContact CD2-CE2 4.5Å; F318-F349 HydrophobicContact CE1-CE2 4.36Å; F318-F349 AromaticContact CG-CE2 3.86Å; F318-F349 HydrophobicContact CG-CE2 3.86Å; F318-F349 HydrophobicContact CG-CZ 4.23Å; A345-F349 WeakPolarHBondContact O-CD2 3.36Å; A345-F349 PolarHBondContact O-N 3.44Å; T346-F349 PolarHBondContact O-N 3.43Å; L347-F349 VanDerWaalsContact C-N 3.3Å; L347-F349 PolarHBondContact O-N 3.47Å; F349-M352 WeakPolarHBondContact O-CB 3.29Å |
| 350 | L | 98.6 | Very high | 98.1 | Very high | 8 Ų | 8 | 56 Ų | 56 | 4% | 0.042 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -76.2 | -25.2 | 175.3 | -72.3 | 178.3 | 0 | 0 | 0 | 113.5 | L173 P174 F176 M297 F301 M302 T346 L347 | L173-L350 HydrophobicContact CD2-CB 3.63Å; L173-L350 HydrophobicContact CD2-CD1 4.33Å; P174-L350 HydrophobicContact CG-CD1 4.35Å; F176-L350 HydrophobicContact CE2-CD1 4.09Å; F176-L350 HydrophobicContact CZ-CD1 3.71Å; M297-L350 HydrophobicContact CE-CD2 4.43Å; M297-L350 HydrophobicContact SD-CD2 3.79Å; M297-L350 HydrophobicContact SD-CG 4.02Å; F301-L350 HydrophobicContact CB-CD1 4.02Å; F301-L350 HydrophobicContact CB-CD2 3.81Å; F301-L350 HydrophobicContact CG-CD1 4.39Å; M302-L350 HydrophobicContact CG-CD2 3.97Å; M302-L350 HydrophobicContact SD-CD2 3.74Å; T346-L350 HydrophobicContact CG2-CD1 4.29Å; T346-L350 HydrophobicContact CG2-CG 4.46Å; T346-L350 WeakPolarHBondContact O-CB 3.34Å; T346-L350 WeakPolarHBondContact O-CG 2.85Å; T346-L350 PolarHBondContact O-N 3.01Å; L347-L350 PolarHBondContact O-N 3.5Å |
| 351 | I | 98.4 | Very high | 98.1 | Very high | 104 Ų | 104 | 56.6 Ų | 56.6 | 53% | 0.533 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -77.8 | -27.7 | 175.1 | -70.6 | 163.7 | 0 | 0 | 0 | 111.3 | L173 L347 L348 T353 | L173-I351 HydrophobicContact CD1-CD1 3.81Å; L173-I351 HydrophobicContact CD1-CG1 3.54Å; L173-I351 HydrophobicContact CD2-CG1 4.29Å; L347-I351 WeakPolarHBondContact O-CB 3.37Å; L347-I351 WeakPolarHBondContact O-CD1 3.34Å; L347-I351 VanDerWaalsContact O-CG1 3.24Å; L347-I351 WeakPolarHBondContact O-CG1 3.48Å; L347-I351 PolarHBondContact O-N 3.36Å; L348-I351 PolarHBondContact O-N 3.11Å; I351-T353 PolarHBondContact O-N 2.81Å |
| 352 | M | 98.1 | Very high | 98.1 | Very high | 89 Ų | 89 | 56.7 Ų | 56.7 | 44% | 0.438 | 29% | 0.294 | S | S | . | . | trans | -55.5 | 127.2 | 178 | -177.5 | -164.9 | 66.4 | 0 | 0 | 111.1 | L311 L348 F349 | L311-M352 HydrophobicContact CD1-CE 3.99Å; L311-M352 HydrophobicContact CD2-CE 3.88Å; L348-M352 PolarHBondContact O-N 2.92Å; F349-M352 WeakPolarHBondContact O-CB 3.29Å | ||
| 353 | T | 97.4 | Very high | 98 | Very high | 132 Ų | 132 | 58.4 Ų | 58.4 | 81% | 0.81 | 31% | 0.305 | S | S | * | . | trans | -100.7 | 153.4 | 173.6 | 63.4 | 0 | 0 | 0 | 0 | 110.9 | I351 | I351-T353 PolarHBondContact O-N 2.81Š| ||
| 354 | T | 97.2 | Very high | 97.9 | Very high | 70 Ų | 70 | 60.5 Ų | 60.5 | 43% | 0.429 | 32% | 0.316 | S | S | . | . | trans | -151.2 | 151 | 178.3 | 177.6 | 0 | 0 | 0 | 0 | 110.7 | N356 I359 | T354-N356 VanDerWaalsContact C-N 3.26Å; T354-N356 HydrophobicContact CG2-CB 4.5Å; T354-N356 PolarHBondContact OG1-N 2.86Å; T354-I359 HydrophobicContact CG2-CB 3.61Å; T354-I359 HydrophobicContact CG2-CD1 4.13Å; T354-I359 HydrophobicContact CG2-CG1 4.43Å; T354-I359 HydrophobicContact CG2-CG2 3.62Å | ||
| 355 | K | 97.1 | Very high | 97.8 | Very high | 218 Ų | 218 | 61.9 Ų | 61.9 | 95% | 0.948 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -81.4 | -4.6 | 173.9 | -65.1 | -175.2 | 178.6 | -179.5 | 0 | 112.8 | S357 | K355-S357 PolarHBondContact O-N 2.96Š|
| 356 | N | 97.1 | Very high | 97.8 | Very high | 61 Ų | 61 | 67 Ų | 67 | 33% | 0.326 | 36% | 0.355 | S | S | . | . | trans | -79.4 | 108.1 | 178.1 | -170.9 | -20.8 | 0 | 0 | 0 | 110.7 | T354 N358 I359 | T354-N356 VanDerWaalsContact C-N 3.26Å; T354-N356 HydrophobicContact CG2-CB 4.5Å; T354-N356 PolarHBondContact OG1-N 2.86Å; N356-N358 PolarHBondContact O-N 3.29Å; N356-N358 WeakPolarHBondContact OD1-CB 3.27Å; N356-N358 PolarHBondContact OD1-N 3.02Å; N356-N358 PolarHBondContact OD1-ND2 3.16Å; N356-I359 HydrophobicContact CB-CD1 4.24Å; N356-I359 HydrophobicContact CB-CG1 4.39Å; N356-I359 PolarHBondContact O-N 2.88Å | ||
| 357 | S | 95.1 | Very high | 97.7 | Very high | 85 Ų | 85 | 68.4 Ų | 68.4 | 59% | 0.594 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -9 | -179.2 | 62.8 | 0 | 0 | 0 | 0 | 115.2 | K355 Y377 | K355-S357 PolarHBondContact O-N 2.96Å; S357-Y377 PolarHBondContact O-OH 3.5Å |
| 358 | N | 96.9 | Very high | 97.7 | Very high | 41 Ų | 41 | 69.3 Ų | 69.3 | 22% | 0.219 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -11 | 174.4 | -54.2 | -70 | 0 | 0 | 0 | 113.7 | T305 Q307 N356 Y377 K381 | T305-N358 WeakPolarHBondContact CG2-O 3.43Å; T305-N358 PolarHBondContact OG1-O 3.04Å; Q307-N358 HydrophobicContact CG-CB 4.1Å; Q307-N358 VanDerWaalsContact NE2-CG 3.33Å; Q307-N358 PolarHBondContact NE2-ND2 3.49Å; N356-N358 PolarHBondContact O-N 3.29Å; N356-N358 WeakPolarHBondContact OD1-CB 3.27Å; N356-N358 PolarHBondContact OD1-N 3.02Å; N356-N358 PolarHBondContact OD1-ND2 3.16Å; N358-Y377 WeakPolarHBondContact CA-OH 3.32Å; N358-K381 PolarHBondContact OD1-NZ 3.14Å |
| 359 | I | 98.1 | Very high | 97.7 | Very high | 36 Ų | 36 | 67 Ų | 67 | 19% | 0.185 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -101.6 | 93.9 | 172.8 | -60.6 | 175.4 | 0 | 0 | 0 | 106.6 | M302 Q307 T308 L311 T354 N356 | M302-I359 HydrophobicContact CE-CG2 3.4Å; M302-I359 VanDerWaalsContact CE-CG2 3.4Å; Q307-I359 HydrophobicContact CB-CD1 4.41Å; Q307-I359 HydrophobicContact CB-CG1 3.85Å; T308-I359 HydrophobicContact CG2-CB 4.32Å; T308-I359 HydrophobicContact CG2-CG1 4.36Å; T308-I359 HydrophobicContact CG2-CG2 4.21Å; L311-I359 HydrophobicContact CD2-CG2 4.02Å; T354-I359 HydrophobicContact CG2-CB 3.61Å; T354-I359 HydrophobicContact CG2-CD1 4.13Å; T354-I359 HydrophobicContact CG2-CG1 4.43Å; T354-I359 HydrophobicContact CG2-CG2 3.62Å; N356-I359 HydrophobicContact CB-CD1 4.24Å; N356-I359 HydrophobicContact CB-CG1 4.39Å; N356-I359 PolarHBondContact O-N 2.88Å |
| 360 | Y | 98.1 | Very high | 97.7 | Very high | 62 Ų | 62 | 65.4 Ų | 65.4 | 24% | 0.243 | 35% | 0.347 | C | S | . | . | trans | -119.3 | 118.3 | -170.4 | -179.5 | -91.7 | 0 | 0 | 0 | 110.8 | M302 A303 M362 F376 Y377 | M302-Y360 CarbonylContact C-O 3.57Å; M302-Y360 WeakPolarHBondContact CA-O 3.16Å; A303-Y360 HydrophobicContact CB-CD1 4.01Å; A303-Y360 PolarHBondContact N-O 2.92Å; Y360-M362 HydrophobicContact CD1-SD 4.23Å; Y360-M362 HydrophobicContact CE1-SD 4.08Å; Y360-F376 HydrophobicContact CE1-CE1 4.47Å; Y360-Y377 VanDerWaalsContact CB-CE2 3.5Å; Y360-Y377 AromaticContact CD1-CD2 3.6Å; Y360-Y377 HydrophobicContact CD1-CD2 3.6Å; Y360-Y377 HydrophobicContact CD1-CE2 4.28Å; Y360-Y377 HydrophobicContact CD1-CG 4.44Å; Y360-Y377 HydrophobicContact CD2-CD2 4.16Å; Y360-Y377 HydrophobicContact CD2-CE2 4.18Å; Y360-Y377 HydrophobicContact CE1-CD2 4.26Å; Y360-Y377 AromaticContact CG-CD2 3.54Å; Y360-Y377 HydrophobicContact CG-CD2 3.54Å; Y360-Y377 AromaticContact CG-CE2 3.74Å; Y360-Y377 HydrophobicContact CG-CE2 3.74Å | ||
| 361 | K | 98.5 | Very high | 97.7 | Very high | 56 Ų | 56 | 67.5 Ų | 67.5 | 24% | 0.243 | 36% | 0.356 | C | S | . | . | B | Isolated β-bridge | trans | -75.5 | 129.3 | 171.8 | 177.4 | 172.1 | 173.8 | -79.2 | 0 | 110 | D172 M302 | D172-K361 WeakPolarHBondContact O-CE 3.25Å; D172-K361 PolarHBondContact O-NZ 3.1Å; D172-K361 IonicContact OD2-NZ 3.81Å; D172-K361 PolarHBondContact OD2-NZ 3.31Å; M302-K361 HydrophobicContact CE-CB 4.5Å; M302-K361 VanDerWaalsContact SD-CA 3.51Å; M302-K361 HydrophobicContact SD-CB 3.76Å; M302-K361 HydrophobicContact SD-CG 4.31Å |
| 362 | M | 98.4 | Very high | 97.7 | Very high | 2 Ų | 2 | 65.5 Ų | 65.5 | 1% | 0.01 | 35% | 0.345 | C | S | . | . | P | Polyproline II helix | trans | -72.4 | 133.6 | 177 | -68.8 | -64.9 | -63.9 | 0 | 0 | 110.1 | F301 A303 Y360 L364 K366 V367 N373 F376 | F301-M362 PolarHBondContact O-N 3.49Å; A303-M362 HydrophobicContact CB-SD 3.94Å; Y360-M362 HydrophobicContact CD1-SD 4.23Å; Y360-M362 HydrophobicContact CE1-SD 4.08Å; M362-L364 PolarHBondContact O-N 2.91Å; M362-K366 HydrophobicContact CE-CB 4.43Å; M362-V367 HydrophobicContact CB-CG2 3.59Å; M362-N373 HydrophobicContact CE-CB 3.68Å; M362-N373 HydrophobicContact CG-CB 4.44Å; M362-N373 HydrophobicContact SD-CB 4.11Å; M362-F376 HydrophobicContact CE-CB 4.33Å; M362-F376 HydrophobicContact CE-CD1 3.59Å; M362-F376 HydrophobicContact CE-CE1 4.3Å; M362-F376 HydrophobicContact CE-CG 4.22Å; M362-F376 HydrophobicContact SD-CD1 4.18Å |
| 363 | P | 97.9 | Very high | 97.7 | Very high | 36 Ų | 36 | 61.3 Ų | 61.3 | 23% | 0.234 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -61 | 131 | 165.8 | -19.8 | 31.8 | 0 | 0 | 0 | 109.7 | D172 S365 K366 V367 F376 | D172-P363 WeakPolarHBondContact OD2-CA 3.35Å; P363-S365 PolarHBondContact O-N 3.3Å; P363-S365 VanDerWaalsContact O-N 3.17Å; P363-K366 HydrophobicContact CB-CG 4.32Å; P363-K366 WeakPolarHBondContact O-CA 3.25Å; P363-K366 PolarHBondContact O-N 3.35Å; P363-V367 PolarHBondContact O-N 3.3Å; P363-F376 HydrophobicContact CG-CE1 4.42Å |
| 364 | L | 96.8 | Very high | 97.8 | Very high | 44 Ų | 44 | 59.9 Ų | 59.9 | 23% | 0.23 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -58.7 | -36.2 | -173.9 | -70.2 | -179.9 | 0 | 0 | 0 | 113.2 | D172 P174 F301 M362 K366 V367 | D172-L364 VanDerWaalsContact C-CD1 3.42Å; D172-L364 WeakPolarHBondContact O-CD1 3.45Å; D172-L364 WeakPolarHBondContact O-CG 3.13Å; D172-L364 VanDerWaalsContact OD1-CB 3.32Å; D172-L364 WeakPolarHBondContact OD1-CB 3.27Å; D172-L364 WeakPolarHBondContact OD1-CG 3.37Å; D172-L364 PolarHBondContact OD1-N 3.28Å; D172-L364 VanDerWaalsContact OD1-N 3.07Å; D172-L364 PolarHBondContact OD2-N 3.3Å; P174-L364 HydrophobicContact CB-CD2 4.26Å; P174-L364 HydrophobicContact CG-CD2 4.46Å; F301-L364 HydrophobicContact CD1-CD2 3.81Å; F301-L364 HydrophobicContact CE1-CD2 3.88Å; M362-L364 PolarHBondContact O-N 2.91Å; L364-K366 PolarHBondContact O-N 3.01Å; L364-V367 HydrophobicContact CD2-CG2 4.39Å; L364-V367 PolarHBondContact O-N 3.49Å; L364-V367 VanDerWaalsContact O-N 3.13Å |
| 365 | S | 96.5 | Very high | 97.8 | Very high | 104 Ų | 104 | 61.1 Ų | 61.1 | 73% | 0.727 | 31% | 0.307 | S | S | * | . | G | 310 helix | trans | -62.2 | -10.1 | 175.9 | 62.9 | 0 | 0 | 0 | 0 | 114.7 | P363 | P363-S365 PolarHBondContact O-N 3.3Å; P363-S365 VanDerWaalsContact O-N 3.17Å |
| 366 | K | 97.6 | Very high | 97.9 | Very high | 109 Ų | 109 | 53.6 Ų | 53.6 | 47% | 0.474 | 27% | 0.274 | S | S | . | . | G | 310 helix | trans | -115.7 | -5.8 | 179.4 | -58.3 | -61 | 178.7 | -168.7 | 0 | 113.3 | M362 P363 L364 T368 F376 | M362-K366 HydrophobicContact CE-CB 4.43Å; P363-K366 HydrophobicContact CB-CG 4.32Å; P363-K366 WeakPolarHBondContact O-CA 3.25Å; P363-K366 PolarHBondContact O-N 3.35Å; L364-K366 PolarHBondContact O-N 3.01Å; K366-T368 PolarHBondContact O-N 3.43Å; K366-F376 HydrophobicContact CB-CD2 4.49Å; K366-F376 HydrophobicContact CB-CE1 4.32Å; K366-F376 HydrophobicContact CB-CE2 4.27Å; K366-F376 HydrophobicContact CB-CZ 4.19Å; K366-F376 HydrophobicContact CD-CE2 3.98Å; K366-F376 HydrophobicContact CD-CZ 4.41Å; K366-F376 HydrophobicContact CG-CD2 4.45Å; K366-F376 HydrophobicContact CG-CE1 4.35Å; K366-F376 HydrophobicContact CG-CE2 3.81Å; K366-F376 HydrophobicContact CG-CZ 3.76Å |
| 367 | V | 98.3 | Very high | 97.9 | Very high | 29 Ų | 29 | 51 Ų | 51 | 18% | 0.176 | 26% | 0.26 | C | S | . | . | trans | -68.6 | 126 | 178.9 | 170.6 | 0 | 0 | 0 | 0 | 109.6 | M300 F301 M362 P363 L364 | M300-V367 HydrophobicContact CE-CG1 3.59Å; M300-V367 HydrophobicContact CG-CG1 4.42Å; M300-V367 HydrophobicContact SD-CG1 4.29Å; F301-V367 HydrophobicContact CD1-CG1 4.35Å; F301-V367 HydrophobicContact CD1-CG2 4.23Å; F301-V367 HydrophobicContact CE1-CG1 4.15Å; M362-V367 HydrophobicContact CB-CG2 3.59Å; P363-V367 PolarHBondContact O-N 3.3Å; L364-V367 HydrophobicContact CD2-CG2 4.39Å; L364-V367 PolarHBondContact O-N 3.49Å; L364-V367 VanDerWaalsContact O-N 3.13Å | ||
| 368 | T | 98.2 | Very high | 98 | Very high | 35 Ų | 35 | 50.5 Ų | 50.5 | 22% | 0.215 | 25% | 0.25 | C | S | . | . | trans | -132.3 | -82 | 175.4 | 48.3 | 0 | 0 | 0 | 0 | 110.4 | M300 K366 N373 | M300-T368 WeakPolarHBondContact CE-O 3.35Å; K366-T368 PolarHBondContact O-N 3.43Å; T368-N373 PolarHBondContact N-OD1 2.85Å; T368-N373 PolarHBondContact OG1-OD1 3.49Å; T368-N373 VanDerWaalsContact OG1-OD1 3.12Å | ||
| 369 | Y | 98.6 | Very high | 98 | Very high | 52 Ų | 52 | 53.3 Ų | 53.3 | 20% | 0.204 | 26% | 0.262 | C | S | . | . | trans | -150.6 | 158.2 | 173.2 | 57.6 | -84 | 0 | 0 | 0 | 109.8 | E371 E372 N373 | Y369-E371 VanDerWaalsContact C-N 3.33Å; Y369-E371 HydrophobicContact CD2-CB 4.01Å; Y369-E371 WeakPolarHBondContact CD2-OE2 3.41Å; Y369-E371 HydrophobicContact CE2-CB 3.84Å; Y369-E371 PolarHBondContact O-N 2.88Å; Y369-E371 VanDerWaalsContact O-N 3.13Å; Y369-E372 HydrophobicContact CD1-CB 4.39Å; Y369-E372 HydrophobicContact CD2-CB 4.46Å; Y369-E372 HydrophobicContact CE1-CB 3.92Å; Y369-E372 WeakPolarHBondContact CE1-OE2 3.43Å; Y369-E372 HydrophobicContact CE2-CB 4.04Å; Y369-E372 PolarHBondContact O-N 3.45Å; Y369-E372 VanDerWaalsContact O-N 3.09Å; Y369-E372 PolarHBondContact OH-OE2 3.47Å; Y369-N373 WeakPolarHBondContact O-CB 3.44Å; Y369-N373 PolarHBondContact O-N 2.92Å; Y369-N373 PolarHBondContact O-ND2 2.95Å; Y369-N373 PolarHBondContact O-OD1 2.79Å | ||
| 370 | P | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -52.4 | -40.1 | -165.9 | -33.2 | 38.4 | 0 | 0 | 0 | 116.7 | L255 M256 G299 R374 | L255-P370 HydrophobicContact CB-CB 3.82Å; L255-P370 HydrophobicContact CB-CG 4.27Å; L255-P370 HydrophobicContact CD1-CB 3.86Å; M256-P370 VanDerWaalsContact CG-CD 3.46Å; M256-P370 HydrophobicContact CG-CG 3.53Å; M256-P370 HydrophobicContact SD-CG 4.43Å; G299-P370 WeakPolarHBondContact O-CA 3.2Å; P370-R374 VanDerWaalsContact O-CB 3.3Å; P370-R374 WeakPolarHBondContact O-CB 3.38Å; P370-R374 PolarHBondContact O-N 3.49Å |
| 371 | E | 98.6 | Very high | 97.4 | Very high | 52 Ų | 52 | 52.8 Ų | 52.8 | 24% | 0.243 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63 | -46.8 | 179.8 | -67.2 | 79.7 | 175.9 | 0 | 0 | 111.4 | S253 P254 L255 Y369 I375 | S253-E371 WeakPolarHBondContact CB-OE2 3.25Å; S253-E371 VanDerWaalsContact OG-CD 3.24Å; S253-E371 PolarHBondContact OG-OE1 3.27Å; S253-E371 VanDerWaalsContact OG-OE1 3.05Å; S253-E371 PolarHBondContact OG-OE2 2.91Å; P254-E371 WeakPolarHBondContact CD-OE1 3.27Å; L255-E371 WeakPolarHBondContact CB-OE1 3.37Å; L255-E371 HydrophobicContact CD1-CG 3.85Å; L255-E371 HydrophobicContact CG-CG 4.37Å; L255-E371 WeakPolarHBondContact CG-OE1 3.39Å; L255-E371 PolarHBondContact N-OE1 3.25Å; Y369-E371 VanDerWaalsContact C-N 3.33Å; Y369-E371 HydrophobicContact CD2-CB 4.01Å; Y369-E371 WeakPolarHBondContact CD2-OE2 3.41Å; Y369-E371 HydrophobicContact CE2-CB 3.84Å; Y369-E371 PolarHBondContact O-N 2.88Å; Y369-E371 VanDerWaalsContact O-N 3.13Å; E371-I375 WeakPolarHBondContact O-CG1 3.32Å; E371-I375 PolarHBondContact O-N 3.45Å |
| 372 | E | 98.2 | Very high | 97.1 | Very high | 63 Ų | 63 | 56.7 Ų | 56.7 | 29% | 0.294 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -74.6 | -38 | 178.6 | -169.6 | 169.8 | 175.3 | 0 | 0 | 111.7 | K43 Y369 R374 I375 F376 | K43-E372 IonicContact NZ-OE1 3.79Å; K43-E372 PolarHBondContact NZ-OE1 2.95Å; K43-E372 IonicContact NZ-OE2 2.74Å; K43-E372 PolarHBondContact NZ-OE2 3.33Å; Y369-E372 HydrophobicContact CD1-CB 4.39Å; Y369-E372 HydrophobicContact CD2-CB 4.46Å; Y369-E372 HydrophobicContact CE1-CB 3.92Å; Y369-E372 WeakPolarHBondContact CE1-OE2 3.43Å; Y369-E372 HydrophobicContact CE2-CB 4.04Å; Y369-E372 PolarHBondContact O-N 3.45Å; Y369-E372 VanDerWaalsContact O-N 3.09Å; Y369-E372 PolarHBondContact OH-OE2 3.47Å; E372-R374 VanDerWaalsContact C-N 3.3Å; E372-R374 PolarHBondContact O-N 3.4Å; E372-I375 WeakPolarHBondContact O-CB 3.31Å; E372-I375 PolarHBondContact O-N 3Å; E372-I375 VanDerWaalsContact O-N 3.13Å; E372-F376 PolarHBondContact O-N 3.02Å |
| 373 | N | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -58.9 | -41.4 | 174.6 | -66.2 | -16.4 | 0 | 0 | 0 | 111.8 | G299 M300 M362 T368 Y369 I375 F376 Y377 | G299-N373 PolarHBondContact O-ND2 3.02Å; M300-N373 PolarHBondContact O-ND2 2.94Å; M362-N373 HydrophobicContact CE-CB 3.68Å; M362-N373 HydrophobicContact CG-CB 4.44Å; M362-N373 HydrophobicContact SD-CB 4.11Å; T368-N373 PolarHBondContact N-OD1 2.85Å; T368-N373 PolarHBondContact OG1-OD1 3.49Å; T368-N373 VanDerWaalsContact OG1-OD1 3.12Å; Y369-N373 WeakPolarHBondContact O-CB 3.44Å; Y369-N373 PolarHBondContact O-N 2.92Å; Y369-N373 PolarHBondContact O-ND2 2.95Å; Y369-N373 PolarHBondContact O-OD1 2.79Å; N373-I375 VanDerWaalsContact C-N 3.35Å; N373-F376 WeakPolarHBondContact O-CB 3.24Å; N373-F376 PolarHBondContact O-N 3.35Å; N373-Y377 PolarHBondContact O-N 3.09Å |
| 374 | R | 98.4 | Very high | 95.9 | Very high | 102 Ų | 102 | 69.9 Ų | 69.9 | 39% | 0.385 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -65.1 | -38.3 | 176.7 | -178.1 | 174.8 | 168.6 | 89.7 | -3.3 | 111.8 | L304 P370 E372 Y377 L378 | L304-R374 PolarHBondContact O-NH1 3.48Å; P370-R374 VanDerWaalsContact O-CB 3.3Å; P370-R374 WeakPolarHBondContact O-CB 3.38Å; P370-R374 PolarHBondContact O-N 3.49Å; E372-R374 VanDerWaalsContact C-N 3.3Å; E372-R374 PolarHBondContact O-N 3.4Å; R374-Y377 PolarHBondContact O-N 2.98Å; R374-L378 HydrophobicContact CG-CD1 4.22Å; R374-L378 VanDerWaalsContact O-CG 3.3Å; R374-L378 WeakPolarHBondContact O-CG 3.38Å; R374-L378 PolarHBondContact O-N 3.47Å |
| 375 | I | 98.3 | Very high | 95.2 | Very high | 97 Ų | 97 | 73.2 Ų | 73.2 | 50% | 0.497 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62.5 | -47 | 175.4 | -66.7 | 167.9 | 0 | 0 | 0 | 110.1 | E371 E372 N373 Y377 L378 Q379 | E371-I375 WeakPolarHBondContact O-CG1 3.32Å; E371-I375 PolarHBondContact O-N 3.45Å; E372-I375 WeakPolarHBondContact O-CB 3.31Å; E372-I375 PolarHBondContact O-N 3Å; E372-I375 VanDerWaalsContact O-N 3.13Å; N373-I375 VanDerWaalsContact C-N 3.35Å; I375-Y377 PolarHBondContact O-N 3.33Å; I375-L378 PolarHBondContact O-N 3.3Å; I375-Q379 WeakPolarHBondContact O-CG 3.43Å; I375-Q379 PolarHBondContact O-N 2.84Å |
| 376 | F | 98.1 | Very high | 94.2 | Very high | 60 Ų | 60 | 75.3 Ų | 75.3 | 26% | 0.263 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -55.7 | -48.7 | 176.1 | 173.9 | -93 | 0 | 0 | 0 | 111.8 | Y360 M362 P363 K366 E372 N373 L378 Q379 A380 | Y360-F376 HydrophobicContact CE1-CE1 4.47Å; M362-F376 HydrophobicContact CE-CB 4.33Å; M362-F376 HydrophobicContact CE-CD1 3.59Å; M362-F376 HydrophobicContact CE-CE1 4.3Å; M362-F376 HydrophobicContact CE-CG 4.22Å; M362-F376 HydrophobicContact SD-CD1 4.18Å; P363-F376 HydrophobicContact CG-CE1 4.42Å; K366-F376 HydrophobicContact CB-CD2 4.49Å; K366-F376 HydrophobicContact CB-CE1 4.32Å; K366-F376 HydrophobicContact CB-CE2 4.27Å; K366-F376 HydrophobicContact CB-CZ 4.19Å; K366-F376 HydrophobicContact CD-CE2 3.98Å; K366-F376 HydrophobicContact CD-CZ 4.41Å; K366-F376 HydrophobicContact CG-CD2 4.45Å; K366-F376 HydrophobicContact CG-CE1 4.35Å; K366-F376 HydrophobicContact CG-CE2 3.81Å; K366-F376 HydrophobicContact CG-CZ 3.76Å; E372-F376 PolarHBondContact O-N 3.02Å; N373-F376 WeakPolarHBondContact O-CB 3.24Å; N373-F376 PolarHBondContact O-N 3.35Å; F376-L378 PolarHBondContact O-N 2.99Å; F376-Q379 PolarHBondContact O-N 3.49Å; F376-A380 WeakPolarHBondContact O-CB 3.43Å; F376-A380 PolarHBondContact O-N 3.03Å |
| 377 | Y | 97.7 | Very high | 92.5 | Very high | 7 Ų | 7 | 74.6 Ų | 74.6 | 3% | 0.027 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -59 | -46.2 | 177.5 | 166.7 | -108.4 | 0 | 0 | 0 | 112.8 | A303 T305 S357 N358 Y360 N373 R374 I375 Q379 A380 K381 | A303-Y377 VanDerWaalsContact CB-CB 3.42Å; A303-Y377 HydrophobicContact CB-CD1 4Å; A303-Y377 HydrophobicContact CB-CD2 3.91Å; A303-Y377 HydrophobicContact CB-CG 3.49Å; A303-Y377 VanDerWaalsContact CB-CG 3.49Å; T305-Y377 HydrophobicContact CG2-CD1 4.4Å; T305-Y377 HydrophobicContact CG2-CE1 3.74Å; S357-Y377 PolarHBondContact O-OH 3.5Å; N358-Y377 WeakPolarHBondContact CA-OH 3.32Å; Y360-Y377 VanDerWaalsContact CB-CE2 3.5Å; Y360-Y377 AromaticContact CD1-CD2 3.6Å; Y360-Y377 HydrophobicContact CD1-CD2 3.6Å; Y360-Y377 HydrophobicContact CD1-CE2 4.28Å; Y360-Y377 HydrophobicContact CD1-CG 4.44Å; Y360-Y377 HydrophobicContact CD2-CD2 4.16Å; Y360-Y377 HydrophobicContact CD2-CE2 4.18Å; Y360-Y377 HydrophobicContact CE1-CD2 4.26Å; Y360-Y377 AromaticContact CG-CD2 3.54Å; Y360-Y377 HydrophobicContact CG-CD2 3.54Å; Y360-Y377 AromaticContact CG-CE2 3.74Å; Y360-Y377 HydrophobicContact CG-CE2 3.74Å; N373-Y377 PolarHBondContact O-N 3.09Å; R374-Y377 PolarHBondContact O-N 2.98Å; I375-Y377 PolarHBondContact O-N 3.33Å; Y377-Q379 VanDerWaalsContact C-N 3.3Å; Y377-Q379 PolarHBondContact O-N 2.84Å; Y377-A380 PolarHBondContact O-N 2.78Å; Y377-K381 HydrophobicContact CE1-CD 4.18Å; Y377-K381 HydrophobicContact CE2-CD 4.46Å; Y377-K381 VanDerWaalsContact O-CB 3.32Å; Y377-K381 WeakPolarHBondContact O-CB 3.42Å; Y377-K381 PolarHBondContact O-N 2.97Å; Y377-K381 WeakPolarHBondContact OH-CD 3.25Å; Y377-K381 WeakPolarHBondContact OH-CE 3.16Å; Y377-K381 PolarHBondContact OH-NZ 3.02Å |
| 378 | L | 97.7 | Very high | 90.6 | Very high | 74 Ų | 74 | 78.2 Ų | 78.2 | 39% | 0.387 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -63.7 | -36.9 | -179.9 | -70.5 | 173 | 0 | 0 | 0 | 112 | R374 I375 F376 K382 | R374-L378 HydrophobicContact CG-CD1 4.22Å; R374-L378 VanDerWaalsContact O-CG 3.3Å; R374-L378 WeakPolarHBondContact O-CG 3.38Å; R374-L378 PolarHBondContact O-N 3.47Å; I375-L378 PolarHBondContact O-N 3.3Å; F376-L378 PolarHBondContact O-N 2.99Å; L378-K382 WeakPolarHBondContact O-CG 3.26Å; L378-K382 PolarHBondContact O-N 3.43Å; L378-K382 VanDerWaalsContact O-N 3.1Å |
| 379 | Q | 96.2 | Very high | 88 | Confident | 99 Ų | 99 | 88.2 Ų | 88.2 | 46% | 0.463 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -67.7 | -45.2 | 174.6 | -69.4 | 174 | -3.2 | 0 | 0 | 111.7 | I375 F376 Y377 K381 K382 R383 | I375-Q379 WeakPolarHBondContact O-CG 3.43Å; I375-Q379 PolarHBondContact O-N 2.84Å; F376-Q379 PolarHBondContact O-N 3.49Å; Y377-Q379 VanDerWaalsContact C-N 3.3Å; Y377-Q379 PolarHBondContact O-N 2.84Å; Q379-K381 VanDerWaalsContact C-N 3.33Å; Q379-K381 PolarHBondContact O-N 3.46Å; Q379-K382 PolarHBondContact O-N 3.47Å; Q379-R383 WeakPolarHBondContact O-CG 3.32Å; Q379-R383 PolarHBondContact O-N 3.46Å |
| 380 | A | 92.9 | Very high | 87.5 | Confident | 23 Ų | 23 | 90.1 Ų | 90.1 | 19% | 0.19 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -61.1 | -43 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | F376 Y377 K382 R383 M384 | F376-A380 WeakPolarHBondContact O-CB 3.43Å; F376-A380 PolarHBondContact O-N 3.03Å; Y377-A380 PolarHBondContact O-N 2.78Å; A380-K382 PolarHBondContact O-N 2.91Å; A380-R383 PolarHBondContact O-N 3.01Å; A380-M384 WeakPolarHBondContact O-CG 3.28Å; A380-M384 PolarHBondContact O-N 3.17Å; A380-M384 VanDerWaalsContact O-N 3.08Å |
| 381 | K | 91.9 | Very high | 86.9 | Confident | 64 Ų | 64 | 94.8 Ų | 94.8 | 28% | 0.278 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63.1 | -41.1 | 178.2 | -166.7 | 179.1 | -164.4 | 167.7 | 0 | 112.7 | N358 Y377 Q379 M384 V385 | N358-K381 PolarHBondContact OD1-NZ 3.14Å; Y377-K381 HydrophobicContact CE1-CD 4.18Å; Y377-K381 HydrophobicContact CE2-CD 4.46Å; Y377-K381 VanDerWaalsContact O-CB 3.32Å; Y377-K381 WeakPolarHBondContact O-CB 3.42Å; Y377-K381 PolarHBondContact O-N 2.97Å; Y377-K381 WeakPolarHBondContact OH-CD 3.25Å; Y377-K381 WeakPolarHBondContact OH-CE 3.16Å; Y377-K381 PolarHBondContact OH-NZ 3.02Å; Q379-K381 VanDerWaalsContact C-N 3.33Å; Q379-K381 PolarHBondContact O-N 3.46Å; K381-M384 PolarHBondContact O-N 3.37Å; K381-V385 WeakPolarHBondContact O-CG2 3.48Å; K381-V385 PolarHBondContact O-N 3.38Å |
| 382 | K | 90.6 | Very high | 86.2 | Confident | 139 Ų | 139 | 97.2 Ų | 97.2 | 60% | 0.604 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -59.6 | -45.6 | 174.5 | -76.4 | 178.8 | 179 | -171 | 0 | 111.6 | L378 Q379 A380 M384 V385 E386 | L378-K382 WeakPolarHBondContact O-CG 3.26Å; L378-K382 PolarHBondContact O-N 3.43Å; L378-K382 VanDerWaalsContact O-N 3.1Å; Q379-K382 PolarHBondContact O-N 3.47Å; A380-K382 PolarHBondContact O-N 2.91Å; K382-M384 VanDerWaalsContact C-N 3.3Å; K382-M384 PolarHBondContact O-N 3.03Å; K382-V385 PolarHBondContact O-N 3.3Å; K382-E386 PolarHBondContact O-N 3.42Å |
| 383 | R | 88.6 | Confident | 85.5 | Confident | 180 Ų | 180 | 99.2 Ų | 99.2 | 68% | 0.679 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -60.6 | -37.4 | 176.9 | -66.5 | 178 | -172.1 | -174.4 | 2.4 | 112.8 | Q379 A380 V385 E386 S387 | Q379-R383 WeakPolarHBondContact O-CG 3.32Å; Q379-R383 PolarHBondContact O-N 3.46Å; A380-R383 PolarHBondContact O-N 3.01Å; R383-V385 VanDerWaalsContact C-N 3.29Å; R383-V385 PolarHBondContact O-N 3.29Å; R383-E386 PolarHBondContact O-N 3.3Å; R383-S387 PolarHBondContact O-N 3.13Å |
| 384 | M | 83.4 | Confident | 84.7 | Confident | 134 Ų | 134 | 105.4 Ų | 105.4 | 66% | 0.66 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -66.6 | -29.2 | 175.7 | -66.5 | 178.3 | 104.4 | 0 | 0 | 113.1 | A380 K381 K382 | A380-M384 WeakPolarHBondContact O-CG 3.28Å; A380-M384 PolarHBondContact O-N 3.17Å; A380-M384 VanDerWaalsContact O-N 3.08Å; K381-M384 PolarHBondContact O-N 3.37Å; K382-M384 VanDerWaalsContact C-N 3.3Å; K382-M384 PolarHBondContact O-N 3.03Å |
| 385 | V | 81.8 | Confident | 83.8 | Confident | 114 Ų | 114 | 105.6 Ų | 105.6 | 69% | 0.691 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -79.4 | -33.9 | 176.5 | 176.1 | 0 | 0 | 0 | 0 | 111.5 | K381 K382 R383 | K381-V385 WeakPolarHBondContact O-CG2 3.48Å; K381-V385 PolarHBondContact O-N 3.38Å; K382-V385 PolarHBondContact O-N 3.3Å; R383-V385 VanDerWaalsContact C-N 3.29Å; R383-V385 PolarHBondContact O-N 3.29Å |
| 386 | E | 76.7 | Confident | 82.8 | Confident | 149 Ų | 149 | 106.2 Ų | 106.2 | 70% | 0.696 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -80.9 | -19.8 | 179.7 | -70.4 | 170.7 | -173.1 | 0 | 0 | 113.5 | K382 R383 | K382-E386 PolarHBondContact O-N 3.42Å; R383-E386 PolarHBondContact O-N 3.3Å |
| 387 | S | 61.3 | Low | 81.6 | Confident | 93 Ų | 93 | 109.8 Ų | 109.8 | 65% | 0.65 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -133.3 | 70.6 | 173.9 | -65.2 | 0 | 0 | 0 | 0 | 110.7 | R383 L389 | R383-S387 PolarHBondContact O-N 3.13Å; S387-L389 PolarHBondContact O-N 3.46Å; S387-L389 VanDerWaalsContact O-N 3.16Å |
| 388 | P | 58.1 | Low | 80.3 | Confident | 106 Ų | 106 | 118.3 Ų | 118.3 | 69% | 0.688 | 61% | 0.606 | S | S | * | * | trans | -66.2 | 114.1 | 169.5 | 27.5 | -28.5 | 0 | 0 | 0 | 107.5 | ||||
| 389 | L | 43.9 | Very low | 78.7 | Confident | 245 Ų | 245 | 122.4 Ų | 122.4 | 100% | 1.283 | 63% | 0.626 | S | S | * | * | trans | -58.5 | 0 | 169.5 | -87.4 | 161 | 0 | 0 | 0 | 111.2 | S387 | S387-L389 PolarHBondContact O-N 3.46Å; S387-L389 VanDerWaalsContact O-N 3.16Å |
Retrieved 389 of 389 residues in 489.9 ms
(Link to these results)