| 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 | F | 92.3 | Very high | 85.8 | Confident | 74 Ų | 74 | 65.9 Ų | 65.9 | 33% | 0.325 | 31% | 0.309 | S | S | . | . | 0 | -65.3 | 0 | -171.4 | -79.5 | 0 | 0 | 0 | 110.6 | E3 K4 Y5 Y7 Y27 M47 | F1-E3 VanDerWaalsContact C-N 3.27Å; F1-E3 PolarHBondContact O-N 3.47Å; F1-K4 PolarHBondContact O-N 3.18Å; F1-K4 VanDerWaalsContact O-N 3.12Å; F1-Y5 AromaticContact CD1-CD2 3.84Å; F1-Y5 HydrophobicContact CD1-CD2 3.84Å; F1-Y5 HydrophobicContact CD1-CE2 4.43Å; F1-Y5 AromaticContact CD2-CD2 3.81Å; F1-Y5 HydrophobicContact CD2-CD2 3.81Å; F1-Y5 AromaticContact CD2-CE2 3.54Å; F1-Y5 HydrophobicContact CD2-CE2 3.54Å; F1-Y5 AromaticContact CE1-CD2 3.64Å; F1-Y5 HydrophobicContact CE1-CD2 3.64Å; F1-Y5 HydrophobicContact CE1-CE2 4.24Å; F1-Y5 AromaticContact CE2-CD2 3.62Å; F1-Y5 HydrophobicContact CE2-CD2 3.62Å; F1-Y5 AromaticContact CE2-CE2 3.32Å; F1-Y5 HydrophobicContact CE2-CE2 3.32Å; F1-Y5 AromaticContact CG-CD2 3.91Å; F1-Y5 HydrophobicContact CG-CD2 3.91Å; F1-Y5 HydrophobicContact CG-CE2 4.1Å; F1-Y5 AromaticContact CZ-CD2 3.53Å; F1-Y5 HydrophobicContact CZ-CD2 3.53Å; F1-Y5 AromaticContact CZ-CE2 3.7Å; F1-Y5 HydrophobicContact CZ-CE2 3.7Å; F1-Y5 HydrophobicContact CZ-CG 4.49Å; F1-Y5 WeakPolarHBondContact O-CD2 3.39Å; F1-Y5 PolarHBondContact O-N 3.36Å; F1-Y5 VanDerWaalsContact O-N 3.07Å; F1-Y7 HydrophobicContact CE1-CE2 4.44Å; F1-Y27 AromaticContact CE1-CD2 3.71Å; F1-Y27 HydrophobicContact CE1-CD2 3.71Å; F1-Y27 AromaticContact CE1-CE2 3.5Å; F1-Y27 HydrophobicContact CE1-CE2 3.5Å; F1-Y27 VanDerWaalsContact CE1-CE2 3.5Å; F1-Y27 HydrophobicContact CZ-CD2 4.34Å; F1-Y27 AromaticContact CZ-CE2 3.71Å; F1-Y27 HydrophobicContact CZ-CE2 3.71Å; F1-M47 HydrophobicContact CB-SD 4.41Å; F1-M47 HydrophobicContact CD1-CE 3.79Å; F1-M47 HydrophobicContact CD1-CG 3.88Å; F1-M47 HydrophobicContact CD1-SD 3.85Å; F1-M47 HydrophobicContact CD2-CB 3.87Å; F1-M47 HydrophobicContact CD2-CG 4.09Å; F1-M47 HydrophobicContact CE1-CB 4.5Å; F1-M47 HydrophobicContact CE1-CE 4.08Å; F1-M47 HydrophobicContact CE1-CG 3.78Å; F1-M47 HydrophobicContact CE1-SD 4.31Å; F1-M47 HydrophobicContact CE2-CB 3.78Å; F1-M47 HydrophobicContact CE2-CG 3.97Å; F1-M47 VanDerWaalsContact CE2-O 3.25Å; F1-M47 WeakPolarHBondContact CE2-O 3.21Å; F1-M47 HydrophobicContact CG-CB 4.28Å; F1-M47 HydrophobicContact CG-CG 4.06Å; F1-M47 HydrophobicContact CG-SD 4.01Å; F1-M47 HydrophobicContact CZ-CB 4.13Å; F1-M47 HydrophobicContact CZ-CG 3.82Å | |||
| 2 | L | 94 | Very high | 82.9 | Confident | 19 Ų | 19 | 73.8 Ų | 73.8 | 10% | 0.099 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -40.3 | -177.6 | -66 | 173.9 | 0 | 0 | 0 | 112.5 | G6 Y7 L8 V20 A23 V24 M47 | L2-G6 PolarHBondContact O-N 3.42Å; L2-Y7 HydrophobicContact CD2-CD2 4.01Å; L2-Y7 HydrophobicContact CD2-CG 4.13Å; L2-Y7 WeakPolarHBondContact O-CA 3.16Å; L2-Y7 WeakPolarHBondContact O-CB 3.17Å; L2-Y7 PolarHBondContact O-N 2.75Å; L2-L8 HydrophobicContact CB-CB 4.46Å; L2-L8 HydrophobicContact CB-CD1 3.72Å; L2-L8 HydrophobicContact CB-CG 3.99Å; L2-L8 HydrophobicContact CD1-CD1 3.98Å; L2-L8 PolarHBondContact O-N 2.86Å; L2-V20 HydrophobicContact CD1-CG1 4.26Å; L2-A23 HydrophobicContact CD1-CB 4.09Å; L2-A23 HydrophobicContact CD2-CB 4.4Å; L2-V24 HydrophobicContact CD1-CG2 3.84Å; L2-M47 HydrophobicContact CD2-CE 3.88Å; L2-M47 HydrophobicContact CG-CE 4.41Å |
| 3 | E | 91.4 | Very high | 81.8 | Confident | 82 Ų | 82 | 83 Ų | 83 | 38% | 0.383 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -50.2 | 173.5 | -64.6 | 171.2 | 146.2 | 0 | 0 | 112.7 | F1 Y5 G6 L8 H10 H15 | F1-E3 VanDerWaalsContact C-N 3.27Å; F1-E3 PolarHBondContact O-N 3.47Å; E3-Y5 PolarHBondContact O-N 3.21Å; E3-Y5 VanDerWaalsContact O-N 3.15Å; E3-G6 PolarHBondContact O-N 2.96Å; E3-L8 WeakPolarHBondContact CA-O 3.42Å; E3-L8 HydrophobicContact CG-CB 3.82Å; E3-H10 IonicContact OE1-CE1 3.49Å; E3-H10 IonicContact OE1-ND1 2.96Å; E3-H15 IonicContact OE1-CD2 2.93Å; E3-H15 IonicContact OE1-CE1 2.75Å; E3-H15 IonicContact OE1-NE2 3.67Å; E3-H15 PolarHBondContact OE1-NE2 3.34Å |
| 4 | K | 90.7 | Very high | 81.3 | Confident | 65 Ų | 65 | 88.4 Ų | 88.4 | 28% | 0.283 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | -38.1 | -179.5 | 179.8 | 170 | 178.7 | 169.9 | 0 | 112.8 | F1 D159 T164 | F1-K4 PolarHBondContact O-N 3.18Å; F1-K4 VanDerWaalsContact O-N 3.12Å; K4-D159 IonicContact NZ-OD2 3.57Å; K4-D159 PolarHBondContact NZ-OD2 2.8Å; K4-T164 WeakPolarHBondContact CE-OG1 3.35Å; K4-T164 PolarHBondContact NZ-OG1 3.19Å |
| 5 | Y | 94 | Very high | 81.3 | Confident | 9 Ų | 9 | 85.7 Ų | 85.7 | 4% | 0.035 | 41% | 0.405 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102 | 17.3 | -177.9 | -60.4 | -68.3 | 0 | 0 | 0 | 113.6 | F1 E3 Y7 R51 C52 S55 D56 T164 | F1-Y5 AromaticContact CD1-CD2 3.84Å; F1-Y5 HydrophobicContact CD1-CD2 3.84Å; F1-Y5 HydrophobicContact CD1-CE2 4.43Å; F1-Y5 AromaticContact CD2-CD2 3.81Å; F1-Y5 HydrophobicContact CD2-CD2 3.81Å; F1-Y5 AromaticContact CD2-CE2 3.54Å; F1-Y5 HydrophobicContact CD2-CE2 3.54Å; F1-Y5 AromaticContact CE1-CD2 3.64Å; F1-Y5 HydrophobicContact CE1-CD2 3.64Å; F1-Y5 HydrophobicContact CE1-CE2 4.24Å; F1-Y5 AromaticContact CE2-CD2 3.62Å; F1-Y5 HydrophobicContact CE2-CD2 3.62Å; F1-Y5 AromaticContact CE2-CE2 3.32Å; F1-Y5 HydrophobicContact CE2-CE2 3.32Å; F1-Y5 AromaticContact CG-CD2 3.91Å; F1-Y5 HydrophobicContact CG-CD2 3.91Å; F1-Y5 HydrophobicContact CG-CE2 4.1Å; F1-Y5 AromaticContact CZ-CD2 3.53Å; F1-Y5 HydrophobicContact CZ-CD2 3.53Å; F1-Y5 AromaticContact CZ-CE2 3.7Å; F1-Y5 HydrophobicContact CZ-CE2 3.7Å; F1-Y5 HydrophobicContact CZ-CG 4.49Å; F1-Y5 WeakPolarHBondContact O-CD2 3.39Å; F1-Y5 PolarHBondContact O-N 3.36Å; F1-Y5 VanDerWaalsContact O-N 3.07Å; E3-Y5 PolarHBondContact O-N 3.21Å; E3-Y5 VanDerWaalsContact O-N 3.15Å; Y5-Y7 PolarHBondContact O-N 3.46Å; Y5-R51 HydrophobicContact CE1-CG 4.27Å; Y5-R51 VanDerWaalsContact CZ-CD 3.4Å; Y5-C52 WeakPolarHBondContact CE1-O 3.33Å; Y5-S55 PolarHBondContact O-OG 2.74Å; Y5-D56 WeakPolarHBondContact O-CB 3.25Å; Y5-D56 PolarHBondContact O-N 3.31Å; Y5-T164 PolarHBondContact OH-OG1 2.82Å |
| 6 | G | 91.5 | Very high | 81.8 | Confident | 10 Ų | 10 | 85.1 Ų | 85.1 | 10% | 0.103 | 41% | 0.405 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.2 | 18.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | L2 E3 S55 | L2-G6 PolarHBondContact O-N 3.42Å; E3-G6 PolarHBondContact O-N 2.96Å; G6-S55 WeakPolarHBondContact CA-OG 3.27Å |
| 7 | Y | 92.3 | Very high | 82.2 | Confident | 13 Ų | 13 | 85.1 Ų | 85.1 | 5% | 0.051 | 42% | 0.423 | C | S | . | . | S | Bend | trans | -84.3 | -17 | 170.8 | -60.4 | -75.4 | 0 | 0 | 0 | 112.8 | F1 L2 Y5 A23 E26 Y27 L30 D56 | F1-Y7 HydrophobicContact CE1-CE2 4.44Å; L2-Y7 HydrophobicContact CD2-CD2 4.01Å; L2-Y7 HydrophobicContact CD2-CG 4.13Å; L2-Y7 WeakPolarHBondContact O-CA 3.16Å; L2-Y7 WeakPolarHBondContact O-CB 3.17Å; L2-Y7 PolarHBondContact O-N 2.75Å; Y5-Y7 PolarHBondContact O-N 3.46Å; Y7-A23 VanDerWaalsContact O-CB 3.28Å; Y7-A23 WeakPolarHBondContact O-CB 3.5Å; Y7-E26 HydrophobicContact CD1-CB 4.05Å; Y7-E26 HydrophobicContact CD1-CG 3.96Å; Y7-E26 HydrophobicContact CE1-CB 4.28Å; Y7-E26 HydrophobicContact CE1-CG 3.96Å; Y7-Y27 VanDerWaalsContact CE1-CA 3.49Å; Y7-Y27 AromaticContact CE2-CD2 3.73Å; Y7-Y27 HydrophobicContact CE2-CD2 3.73Å; Y7-Y27 HydrophobicContact CE2-CG 4.37Å; Y7-Y27 AromaticContact CZ-CD2 3.82Å; Y7-L30 VanDerWaalsContact OH-CD2 3.29Å; Y7-L30 WeakPolarHBondContact OH-CD2 3.31Å; Y7-D56 HydrophobicContact CE1-CB 3.99Å; Y7-D56 HydrophobicContact CE2-CB 3.89Å; Y7-D56 VanDerWaalsContact CE2-OD2 3.27Å; Y7-D56 WeakPolarHBondContact CE2-OD2 3.42Å; Y7-D56 VanDerWaalsContact CZ-CB 3.47Å; Y7-D56 WeakPolarHBondContact OH-CB 3.3Å; Y7-D56 VanDerWaalsContact OH-CG 3.29Å; Y7-D56 PolarHBondContact OH-OD2 3.07Å |
| 8 | L | 90.6 | Very high | 82.7 | Confident | 20 Ų | 20 | 86.2 Ų | 86.2 | 11% | 0.105 | 44% | 0.435 | C | S | . | . | S | Bend | trans | -138.3 | 140.9 | 174.8 | -69.7 | 174.4 | 0 | 0 | 0 | 108.7 | L2 E3 E19 V20 A23 | L2-L8 HydrophobicContact CB-CB 4.46Å; L2-L8 HydrophobicContact CB-CD1 3.72Å; L2-L8 HydrophobicContact CB-CG 3.99Å; L2-L8 HydrophobicContact CD1-CD1 3.98Å; L2-L8 PolarHBondContact O-N 2.86Å; E3-L8 WeakPolarHBondContact CA-O 3.42Å; E3-L8 HydrophobicContact CG-CB 3.82Å; L8-E19 HydrophobicContact CD2-CB 4.32Å; L8-V20 HydrophobicContact CD1-CG2 4.3Å; L8-A23 HydrophobicContact CD1-CB 4.35Å; L8-A23 HydrophobicContact CD2-CB 3.66Å; L8-A23 HydrophobicContact CG-CB 3.72Å |
| 9 | H | 83.8 | Confident | 83.1 | Confident | 106 Ų | 106 | 86.3 Ų | 86.3 | 49% | 0.491 | 43% | 0.433 | S | S | . | . | trans | -102.7 | 146.7 | -179.9 | -61.8 | -69.4 | 0 | 0 | 0 | 111.7 | E11 H15 E57 | H9-E11 PolarHBondContact O-N 2.96Å; H9-E11 VanDerWaalsContact O-N 3.08Å; H9-H15 PolarHBondContact O-CE1 3.35Å; H9-H15 VanDerWaalsContact O-CE1 3.27Å; H9-E57 VanDerWaalsContact CE1-CD 3.48Å; H9-E57 IonicContact CE1-OE1 3.29Å; H9-E57 PolarHBondContact CE1-OE1 3.48Å; H9-E57 VanDerWaalsContact CE1-OE1 3.26Å; H9-E57 IonicContact CE1-OE2 3.37Å; H9-E57 PolarHBondContact CE1-OE2 3.14Å; H9-E57 IonicContact NE2-OE1 3.38Å | ||
| 10 | H | 67.2 | Low | 83.6 | Confident | 160 Ų | 160 | 84.2 Ų | 84.2 | 74% | 0.741 | 43% | 0.425 | S | S | * | . | trans | -76.1 | 6.4 | -173.4 | -125.6 | -15.4 | 0 | 0 | 0 | 114.9 | E3 H12 | E3-H10 IonicContact OE1-CE1 3.49Å; E3-H10 IonicContact OE1-ND1 2.96Å; H10-H12 PolarHBondContact O-N 3.14Å | ||
| 11 | E | 56.4 | Low | 84.2 | Confident | 167 Ų | 167 | 83.6 Ų | 83.6 | 78% | 0.78 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -80.7 | 88.7 | -177.6 | -64.3 | -169.3 | 172.5 | 0 | 0 | 110 | H9 | H9-E11 PolarHBondContact O-N 2.96Å; H9-E11 VanDerWaalsContact O-N 3.08Å |
| 12 | H | 50.6 | Low | 84.2 | Confident | 160 Ų | 160 | 83.3 Ų | 83.3 | 74% | 0.741 | 43% | 0.428 | S | S | * | . | S | Bend | trans | 97.7 | 125.9 | 171.4 | -48.8 | -61.1 | 0 | 0 | 0 | 116.3 | H10 | H10-H12 PolarHBondContact O-N 3.14Š|
| 13 | Q | 69.3 | Low | 84.3 | Confident | 194 Ų | 194 | 82.5 Ų | 82.5 | 91% | 0.907 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -61.2 | 140.1 | -177.3 | -78.6 | 175.3 | -27.5 | 0 | 0 | 112.4 | ||
| 14 | I | 74.3 | Confident | 84.5 | Confident | 158 Ų | 158 | 78.7 Ų | 78.7 | 81% | 0.81 | 41% | 0.406 | S | S | * | . | trans | 74.6 | 90 | 179.8 | -45.9 | 176.9 | 0 | 0 | 0 | 113.5 | N16 | I14-N16 PolarHBondContact O-N 2.73Š| ||
| 15 | H | 82 | Confident | 84.8 | Confident | 49 Ų | 49 | 80.3 Ų | 80.3 | 23% | 0.227 | 41% | 0.411 | C | S | . | . | trans | -60.8 | 130.7 | 164.6 | -59.8 | -66.8 | 0 | 0 | 0 | 110.1 | E3 H9 E19 V20 | E3-H15 IonicContact OE1-CD2 2.93Å; E3-H15 IonicContact OE1-CE1 2.75Å; E3-H15 IonicContact OE1-NE2 3.67Å; E3-H15 PolarHBondContact OE1-NE2 3.34Å; H9-H15 PolarHBondContact O-CE1 3.35Å; H9-H15 VanDerWaalsContact O-CE1 3.27Å; H15-E19 WeakPolarHBondContact CA-OE2 3.41Å; H15-V20 HydrophobicContact CB-CG2 3.67Å | ||
| 16 | N | 88 | Confident | 84.8 | Confident | 75 Ų | 75 | 82.2 Ų | 82.2 | 40% | 0.401 | 42% | 0.42 | S | S | . | . | trans | -75.4 | 163.2 | 175.5 | 67.1 | 55.8 | 0 | 0 | 0 | 111 | I14 V18 E19 V20 | I14-N16 PolarHBondContact O-N 2.73Å; N16-V18 PolarHBondContact O-N 3Å; N16-V18 VanDerWaalsContact O-N 3.15Å; N16-V18 WeakPolarHBondContact OD1-CA 3.32Å; N16-V18 WeakPolarHBondContact OD1-CB 3.48Å; N16-V18 PolarHBondContact OD1-N 3.05Å; N16-E19 VanDerWaalsContact CG-CD 3.47Å; N16-E19 PolarHBondContact N-OE2 2.68Å; N16-E19 PolarHBondContact ND2-OE1 3.2Å; N16-E19 PolarHBondContact ND2-OE2 2.96Å; N16-E19 PolarHBondContact O-N 3.49Å; N16-E19 WeakPolarHBondContact OD1-CG 3.4Å; N16-E19 PolarHBondContact OD1-N 3.21Å; N16-V20 WeakPolarHBondContact O-CG2 3.49Å; N16-V20 PolarHBondContact O-N 3.46Å; N16-V20 VanDerWaalsContact O-N 3.11Å | ||
| 17 | A | 89.6 | Confident | 85 | Confident | 85 Ų | 85 | 81.7 Ų | 81.7 | 70% | 0.702 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -60.9 | -27.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q21 | A17-Q21 WeakPolarHBondContact O-CB 3.44Å; A17-Q21 PolarHBondContact O-N 3.34Å |
| 18 | V | 90.4 | Very high | 85.2 | Confident | 106 Ų | 106 | 81.1 Ų | 81.1 | 64% | 0.642 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -73.6 | -43.8 | -179.8 | -179.4 | 0 | 0 | 0 | 0 | 110.6 | N16 Q21 S22 | N16-V18 PolarHBondContact O-N 3Å; N16-V18 VanDerWaalsContact O-N 3.15Å; N16-V18 WeakPolarHBondContact OD1-CA 3.32Å; N16-V18 WeakPolarHBondContact OD1-CB 3.48Å; N16-V18 PolarHBondContact OD1-N 3.05Å; V18-Q21 PolarHBondContact O-N 3.23Å; V18-S22 PolarHBondContact O-N 3.48Å |
| 19 | E | 91.2 | Very high | 85.4 | Confident | 87 Ų | 87 | 82.9 Ų | 82.9 | 41% | 0.407 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -60.1 | -50.4 | 174.8 | -75.1 | 160 | -177.1 | 0 | 0 | 111.1 | L8 H15 N16 Q21 S22 A23 | L8-E19 HydrophobicContact CD2-CB 4.32Å; H15-E19 WeakPolarHBondContact CA-OE2 3.41Å; N16-E19 VanDerWaalsContact CG-CD 3.47Å; N16-E19 PolarHBondContact N-OE2 2.68Å; N16-E19 PolarHBondContact ND2-OE1 3.2Å; N16-E19 PolarHBondContact ND2-OE2 2.96Å; N16-E19 PolarHBondContact O-N 3.49Å; N16-E19 WeakPolarHBondContact OD1-CG 3.4Å; N16-E19 PolarHBondContact OD1-N 3.21Å; E19-Q21 VanDerWaalsContact C-N 3.31Å; E19-Q21 PolarHBondContact O-N 3.03Å; E19-S22 PolarHBondContact O-N 3.22Å; E19-S22 VanDerWaalsContact O-N 3.15Å; E19-A23 WeakPolarHBondContact O-CB 3.47Å; E19-A23 PolarHBondContact O-N 2.85Å |
| 20 | V | 93 | Very high | 85.9 | Confident | 45 Ų | 45 | 78.1 Ų | 78.1 | 27% | 0.273 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -60.4 | -43.2 | 177.5 | 178 | 0 | 0 | 0 | 0 | 110.7 | L2 L8 H15 N16 S22 A23 V24 | L2-V20 HydrophobicContact CD1-CG1 4.26Å; L8-V20 HydrophobicContact CD1-CG2 4.3Å; H15-V20 HydrophobicContact CB-CG2 3.67Å; N16-V20 WeakPolarHBondContact O-CG2 3.49Å; N16-V20 PolarHBondContact O-N 3.46Å; N16-V20 VanDerWaalsContact O-N 3.11Å; V20-S22 VanDerWaalsContact C-N 3.32Å; V20-S22 PolarHBondContact O-N 2.74Å; V20-A23 PolarHBondContact O-N 3.3Å; V20-V24 HydrophobicContact CG1-CG2 4.35Å; V20-V24 WeakPolarHBondContact O-CB 3.35Å; V20-V24 VanDerWaalsContact O-CG2 3.23Å; V20-V24 WeakPolarHBondContact O-CG2 3.43Å; V20-V24 PolarHBondContact O-N 3.11Å |
| 21 | Q | 95.5 | Very high | 87.1 | Confident | 71 Ų | 71 | 71.3 Ų | 71.3 | 33% | 0.332 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62 | -40.8 | 177.7 | -170.5 | -176.6 | 66.1 | 0 | 0 | 111.7 | A17 V18 E19 V24 R25 G37 | A17-Q21 WeakPolarHBondContact O-CB 3.44Å; A17-Q21 PolarHBondContact O-N 3.34Å; V18-Q21 PolarHBondContact O-N 3.23Å; E19-Q21 VanDerWaalsContact C-N 3.31Å; E19-Q21 PolarHBondContact O-N 3.03Å; Q21-V24 PolarHBondContact O-N 3.32Å; Q21-R25 WeakPolarHBondContact O-CG 3.4Å; Q21-R25 PolarHBondContact O-N 2.55Å; Q21-G37 WeakPolarHBondContact CG-O 3.24Å |
| 22 | S | 93.7 | Very high | 88.8 | Confident | 68 Ų | 68 | 71 Ų | 71 | 48% | 0.476 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -64.7 | -47.5 | 176.6 | -167 | 0 | 0 | 0 | 0 | 111.7 | V18 E19 V20 V24 R25 E26 | V18-S22 PolarHBondContact O-N 3.48Å; E19-S22 PolarHBondContact O-N 3.22Å; E19-S22 VanDerWaalsContact O-N 3.15Å; V20-S22 VanDerWaalsContact C-N 3.32Å; V20-S22 PolarHBondContact O-N 2.74Å; S22-V24 VanDerWaalsContact C-N 3.3Å; S22-V24 PolarHBondContact O-N 3.5Å; S22-R25 WeakPolarHBondContact O-CB 3.41Å; S22-R25 PolarHBondContact O-N 3.06Å; S22-E26 PolarHBondContact O-N 2.97Å |
| 23 | A | 94.3 | Very high | 90.9 | Very high | 3 Ų | 3 | 64.9 Ų | 64.9 | 3% | 0.025 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -57.7 | -41.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L2 Y7 L8 E19 V20 E26 Y27 | L2-A23 HydrophobicContact CD1-CB 4.09Å; L2-A23 HydrophobicContact CD2-CB 4.4Å; Y7-A23 VanDerWaalsContact O-CB 3.28Å; Y7-A23 WeakPolarHBondContact O-CB 3.5Å; L8-A23 HydrophobicContact CD1-CB 4.35Å; L8-A23 HydrophobicContact CD2-CB 3.66Å; L8-A23 HydrophobicContact CG-CB 3.72Å; E19-A23 WeakPolarHBondContact O-CB 3.47Å; E19-A23 PolarHBondContact O-N 2.85Å; V20-A23 PolarHBondContact O-N 3.3Å; A23-E26 PolarHBondContact O-N 3.31Å; A23-Y27 WeakPolarHBondContact O-CB 3.46Å; A23-Y27 PolarHBondContact O-N 2.94Å |
| 24 | V | 96.8 | Very high | 92.2 | Very high | 1 Ų | 1 | 59.9 Ų | 59.9 | 1% | 0.006 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65.4 | -39.3 | 175.4 | 174.1 | 0 | 0 | 0 | 0 | 111.5 | L2 V20 Q21 S22 Y27 Q28 G37 L39 T43 | L2-V24 HydrophobicContact CD1-CG2 3.84Å; V20-V24 HydrophobicContact CG1-CG2 4.35Å; V20-V24 WeakPolarHBondContact O-CB 3.35Å; V20-V24 VanDerWaalsContact O-CG2 3.23Å; V20-V24 WeakPolarHBondContact O-CG2 3.43Å; V20-V24 PolarHBondContact O-N 3.11Å; Q21-V24 PolarHBondContact O-N 3.32Å; S22-V24 VanDerWaalsContact C-N 3.3Å; S22-V24 PolarHBondContact O-N 3.5Å; V24-Y27 PolarHBondContact O-N 3.05Å; V24-Q28 HydrophobicContact CG1-CG 4.22Å; V24-Q28 WeakPolarHBondContact O-CB 3.45Å; V24-Q28 WeakPolarHBondContact O-CG 3.5Å; V24-Q28 PolarHBondContact O-N 3.03Å; V24-G37 VanDerWaalsContact CG1-C 3.46Å; V24-L39 HydrophobicContact CG1-CD2 4.4Å; V24-L39 HydrophobicContact CG2-CD2 3.69Å; V24-L39 HydrophobicContact CG2-CG 4.06Å; V24-T43 HydrophobicContact CG1-CG2 4.38Å |
| 25 | R | 96.2 | Very high | 93.2 | Very high | 99 Ų | 99 | 56.9 Ų | 56.9 | 37% | 0.374 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.7 | -43.5 | 176.6 | -73.9 | -177.2 | 179.5 | 115.5 | 3.1 | 111.7 | Q21 S22 Q28 W29 I35 G37 | Q21-R25 WeakPolarHBondContact O-CG 3.4Å; Q21-R25 PolarHBondContact O-N 2.55Å; S22-R25 WeakPolarHBondContact O-CB 3.41Å; S22-R25 PolarHBondContact O-N 3.06Å; R25-Q28 PolarHBondContact O-N 3.33Å; R25-W29 PolarHBondContact O-N 3.39Å; R25-I35 HydrophobicContact CB-CG2 3.7Å; R25-I35 HydrophobicContact CG-CG2 3.74Å; R25-G37 VanDerWaalsContact CG-CA 3.44Å |
| 26 | E | 94.4 | Very high | 93.9 | Very high | 49 Ų | 49 | 57 Ų | 57 | 23% | 0.229 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.3 | -46.7 | 177.3 | -171.1 | 173.1 | -175.5 | 0 | 0 | 111.3 | Y7 S22 A23 Q28 W29 L30 | Y7-E26 HydrophobicContact CD1-CB 4.05Å; Y7-E26 HydrophobicContact CD1-CG 3.96Å; Y7-E26 HydrophobicContact CE1-CB 4.28Å; Y7-E26 HydrophobicContact CE1-CG 3.96Å; S22-E26 PolarHBondContact O-N 2.97Å; A23-E26 PolarHBondContact O-N 3.31Å; E26-Q28 PolarHBondContact O-N 2.89Å; E26-W29 WeakPolarHBondContact O-CB 3.47Å; E26-W29 PolarHBondContact O-N 2.96Å; E26-L30 PolarHBondContact O-N 3.32Å |
| 27 | Y | 96.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -55.9 | -47.7 | 173.1 | 167.3 | -98.9 | 0 | 0 | 0 | 112.7 | F1 Y7 A23 V24 W29 L30 S31 L33 T43 Q46 M47 Y221 | F1-Y27 AromaticContact CE1-CD2 3.71Å; F1-Y27 HydrophobicContact CE1-CD2 3.71Å; F1-Y27 AromaticContact CE1-CE2 3.5Å; F1-Y27 HydrophobicContact CE1-CE2 3.5Å; F1-Y27 VanDerWaalsContact CE1-CE2 3.5Å; F1-Y27 HydrophobicContact CZ-CD2 4.34Å; F1-Y27 AromaticContact CZ-CE2 3.71Å; F1-Y27 HydrophobicContact CZ-CE2 3.71Å; Y7-Y27 VanDerWaalsContact CE1-CA 3.49Å; Y7-Y27 AromaticContact CE2-CD2 3.73Å; Y7-Y27 HydrophobicContact CE2-CD2 3.73Å; Y7-Y27 HydrophobicContact CE2-CG 4.37Å; Y7-Y27 AromaticContact CZ-CD2 3.82Å; A23-Y27 WeakPolarHBondContact O-CB 3.46Å; A23-Y27 PolarHBondContact O-N 2.94Å; V24-Y27 PolarHBondContact O-N 3.05Å; Y27-W29 VanDerWaalsContact C-N 3.31Å; Y27-W29 PolarHBondContact O-N 2.72Å; Y27-L30 PolarHBondContact O-N 2.87Å; Y27-S31 WeakPolarHBondContact CE2-OG 3.34Å; Y27-S31 VanDerWaalsContact CZ-OG 3.3Å; Y27-S31 WeakPolarHBondContact O-CB 3.24Å; Y27-S31 PolarHBondContact O-N 3.45Å; Y27-S31 PolarHBondContact O-OG 2.83Å; Y27-L33 HydrophobicContact CE1-CD1 4.06Å; Y27-T43 HydrophobicContact CD1-CG2 3.89Å; Y27-T43 HydrophobicContact CE1-CG2 3.64Å; Y27-Q46 VanDerWaalsContact OH-CB 3.31Å; Y27-Q46 WeakPolarHBondContact OH-CB 3.37Å; Y27-Q46 WeakPolarHBondContact OH-CG 3.47Å; Y27-M47 HydrophobicContact CD1-CE 3.56Å; Y27-M47 HydrophobicContact CD2-CE 4.34Å; Y27-M47 HydrophobicContact CE1-CE 3.64Å; Y27-M47 HydrophobicContact CE1-CG 3.86Å; Y27-M47 HydrophobicContact CE2-CE 4.39Å; Y27-M47 HydrophobicContact CE2-CG 4.15Å; Y27-M47 HydrophobicContact CG-CE 3.93Å; Y27-M47 WeakPolarHBondContact OH-CG 3.33Å; Y27-M47 PolarHBondContact OH-N 3.3Å; Y27-M47 VanDerWaalsContact OH-N 3.16Å; Y27-Y221 HydrophobicContact CE2-CE2 4.49Å; Y27-Y221 VanDerWaalsContact CE2-OH 3.26Å; Y27-Y221 WeakPolarHBondContact CE2-OH 3.22Å; Y27-Y221 PolarHBondContact OH-OH 3Å |
| 28 | Q | 96.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63 | -38.7 | 179.8 | -76.2 | 170.8 | -24.9 | 0 | 0 | 111.6 | V24 R25 E26 S31 R32 L33 P34 I35 T36 Q38 T43 | V24-Q28 HydrophobicContact CG1-CG 4.22Å; V24-Q28 WeakPolarHBondContact O-CB 3.45Å; V24-Q28 WeakPolarHBondContact O-CG 3.5Å; V24-Q28 PolarHBondContact O-N 3.03Å; R25-Q28 PolarHBondContact O-N 3.33Å; E26-Q28 PolarHBondContact O-N 2.89Å; Q28-S31 PolarHBondContact O-N 2.82Å; Q28-R32 PolarHBondContact O-N 2.87Å; Q28-L33 HydrophobicContact CB-CB 4.1Å; Q28-L33 HydrophobicContact CG-CB 4.15Å; Q28-L33 HydrophobicContact CG-CD1 4.42Å; Q28-L33 PolarHBondContact O-N 2.91Å; Q28-P34 VanDerWaalsContact CD-O 3.25Å; Q28-P34 PolarHBondContact OE1-O 3.04Å; Q28-I35 HydrophobicContact CB-CG1 4.46Å; Q28-T36 PolarHBondContact NE2-OG1 2.87Å; Q28-Q38 PolarHBondContact NE2-O 3.03Å; Q28-T43 HydrophobicContact CG-CG2 4.44Å; Q28-T43 PolarHBondContact NE2-OG1 3.33Å |
| 29 | W | 94.8 | Very high | 94.9 | Very high | 57 Ų | 57 | 55 Ų | 55 | 22% | 0.216 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.8 | -51.9 | 175.7 | -179.5 | 94.3 | 0 | 0 | 0 | 111.3 | R25 E26 Y27 S31 R32 I35 Q60 W63 P212 | R25-W29 PolarHBondContact O-N 3.39Å; E26-W29 WeakPolarHBondContact O-CB 3.47Å; E26-W29 PolarHBondContact O-N 2.96Å; Y27-W29 VanDerWaalsContact C-N 3.31Å; Y27-W29 PolarHBondContact O-N 2.72Å; W29-S31 VanDerWaalsContact C-N 3.32Å; W29-S31 PolarHBondContact O-N 2.93Å; W29-R32 PolarHBondContact O-N 3.04Å; W29-R32 VanDerWaalsContact O-N 3.14Å; W29-I35 HydrophobicContact CB-CD1 3.96Å; W29-I35 HydrophobicContact CB-CG1 4.37Å; W29-I35 HydrophobicContact CG-CD1 4.26Å; W29-Q60 HydrophobicContact CD2-CG 4.13Å; W29-Q60 HydrophobicContact CE3-CB 3.84Å; W29-Q60 HydrophobicContact CE3-CG 3.74Å; W29-Q60 HydrophobicContact CH2-CB 4.02Å; W29-Q60 HydrophobicContact CH2-CG 3.68Å; W29-Q60 HydrophobicContact CZ2-CG 4.03Å; W29-Q60 HydrophobicContact CZ3-CB 3.48Å; W29-Q60 VanDerWaalsContact CZ3-CB 3.48Å; W29-Q60 HydrophobicContact CZ3-CG 3.53Å; W29-W63 HydrophobicContact CH2-CD2 4.3Å; W29-W63 AromaticContact CH2-CE3 3.82Å; W29-W63 HydrophobicContact CH2-CE3 3.82Å; W29-W63 HydrophobicContact CH2-CZ3 4.43Å; W29-W63 AromaticContact CZ2-CE3 3.96Å; W29-W63 HydrophobicContact CZ2-CE3 3.96Å; W29-W63 HydrophobicContact CZ2-CZ3 4.14Å; W29-P212 HydrophobicContact CH2-CB 3.99Å; W29-P212 HydrophobicContact CH2-CG 3.8Å; W29-P212 HydrophobicContact CZ3-CB 3.89Å; W29-P212 HydrophobicContact CZ3-CG 4.09Å |
| 30 | L | 93.3 | Very high | 95 | Very high | 6 Ų | 6 | 53 Ų | 53 | 3% | 0.031 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.9 | -40.8 | -179.3 | -171.3 | 70.7 | 0 | 0 | 0 | 111.1 | Y7 E26 Y27 R32 D56 P212 P220 | Y7-L30 VanDerWaalsContact OH-CD2 3.29Å; Y7-L30 WeakPolarHBondContact OH-CD2 3.31Å; E26-L30 PolarHBondContact O-N 3.32Å; Y27-L30 PolarHBondContact O-N 2.87Å; L30-R32 PolarHBondContact O-N 2.87Å; L30-D56 HydrophobicContact CD2-CB 3.59Å; L30-D56 VanDerWaalsContact CD2-CG 3.43Å; L30-D56 WeakPolarHBondContact CD2-OD1 3.48Å; L30-P212 HydrophobicContact CD1-CB 4.05Å; L30-P220 HydrophobicContact CD2-CG 4.35Å |
| 31 | S | 92.8 | Very high | 95.1 | Very high | 18 Ų | 18 | 54.3 Ų | 54.3 | 13% | 0.126 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -2.2 | 179 | -60.8 | 0 | 0 | 0 | 0 | 114.1 | Y27 Q28 W29 L33 | Y27-S31 WeakPolarHBondContact CE2-OG 3.34Å; Y27-S31 VanDerWaalsContact CZ-OG 3.3Å; Y27-S31 WeakPolarHBondContact O-CB 3.24Å; Y27-S31 PolarHBondContact O-N 3.45Å; Y27-S31 PolarHBondContact O-OG 2.83Å; Q28-S31 PolarHBondContact O-N 2.82Å; W29-S31 VanDerWaalsContact C-N 3.32Å; W29-S31 PolarHBondContact O-N 2.93Å; S31-L33 VanDerWaalsContact C-N 3.27Å; S31-L33 PolarHBondContact O-N 2.97Å |
| 32 | R | 93.1 | Very high | 95 | Very high | 161 Ų | 161 | 52.4 Ų | 52.4 | 61% | 0.608 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.9 | 37.3 | -178.2 | -57.4 | -66.3 | -63.5 | -148.7 | -1.9 | 113.5 | Q28 W29 L30 P212 | Q28-R32 PolarHBondContact O-N 2.87Å; W29-R32 PolarHBondContact O-N 3.04Å; W29-R32 VanDerWaalsContact O-N 3.14Å; L30-R32 PolarHBondContact O-N 2.87Å; R32-P212 WeakPolarHBondContact CD-O 3.31Å; R32-P212 WeakPolarHBondContact CG-O 3.3Å |
| 33 | L | 94.3 | Very high | 95.2 | Very high | 31 Ų | 31 | 49.2 Ų | 49.2 | 16% | 0.162 | 25% | 0.252 | C | S | . | . | trans | -93.8 | 162.3 | 171.5 | -62.4 | 177.2 | 0 | 0 | 0 | 110.5 | Y27 Q28 S31 I35 Q46 | Y27-L33 HydrophobicContact CE1-CD1 4.06Å; Q28-L33 HydrophobicContact CB-CB 4.1Å; Q28-L33 HydrophobicContact CG-CB 4.15Å; Q28-L33 HydrophobicContact CG-CD1 4.42Å; Q28-L33 PolarHBondContact O-N 2.91Å; S31-L33 VanDerWaalsContact C-N 3.27Å; S31-L33 PolarHBondContact O-N 2.97Å; L33-I35 PolarHBondContact O-N 3.04Å; L33-Q46 HydrophobicContact CD1-CB 4.01Å; L33-Q46 HydrophobicContact CD1-CG 4.27Å | ||
| 34 | P | 95.4 | Very high | 95.2 | Very high | 89 Ų | 89 | 53.4 Ų | 53.4 | 58% | 0.578 | 27% | 0.274 | S | S | * | . | trans | -55.1 | 128.2 | 166.5 | -23.9 | 35.2 | 0 | 0 | 0 | 110.6 | Q28 T36 | Q28-P34 VanDerWaalsContact CD-O 3.25Å; Q28-P34 PolarHBondContact OE1-O 3.04Å; P34-T36 HydrophobicContact CB-CG2 4.26Å; P34-T36 PolarHBondContact O-N 2.77Å | ||
| 35 | I | 96.8 | Very high | 95.1 | Very high | 95 Ų | 95 | 60.6 Ų | 60.6 | 49% | 0.487 | 30% | 0.301 | S | S | . | . | trans | -83.7 | 85.6 | -175.8 | -54.3 | 170.9 | 0 | 0 | 0 | 108.6 | R25 Q28 W29 L33 | R25-I35 HydrophobicContact CB-CG2 3.7Å; R25-I35 HydrophobicContact CG-CG2 3.74Å; Q28-I35 HydrophobicContact CB-CG1 4.46Å; W29-I35 HydrophobicContact CB-CD1 3.96Å; W29-I35 HydrophobicContact CB-CG1 4.37Å; W29-I35 HydrophobicContact CG-CD1 4.26Å; L33-I35 PolarHBondContact O-N 3.04Å | ||
| 36 | T | 96.3 | Very high | 95 | Very high | 51 Ų | 51 | 58.3 Ų | 58.3 | 31% | 0.313 | 30% | 0.295 | S | S | . | . | trans | -97.8 | -26 | -179.4 | 63.5 | 0 | 0 | 0 | 0 | 112.2 | Q28 P34 Q38 D40 | Q28-T36 PolarHBondContact NE2-OG1 2.87Å; P34-T36 HydrophobicContact CB-CG2 4.26Å; P34-T36 PolarHBondContact O-N 2.77Å; T36-Q38 PolarHBondContact O-N 2.73Å; T36-Q38 PolarHBondContact OG1-N 3.08Å; T36-Q38 VanDerWaalsContact OG1-N 3.12Å; T36-Q38 PolarHBondContact OG1-O 3.29Å; T36-D40 PolarHBondContact OG1-OD2 2.91Å | ||
| 37 | G | 96.3 | Very high | 95 | Very high | 7 Ų | 7 | 57.3 Ų | 57.3 | 7% | 0.072 | 29% | 0.29 | C | S | . | . | S | Bend | trans | 70.8 | 9.5 | -167.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q21 V24 R25 | Q21-G37 WeakPolarHBondContact CG-O 3.24Å; V24-G37 VanDerWaalsContact CG1-C 3.46Å; R25-G37 VanDerWaalsContact CG-CA 3.44Å |
| 38 | Q | 96.3 | Very high | 94.8 | Very high | 130 Ų | 130 | 61.1 Ų | 61.1 | 61% | 0.607 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -110.7 | 143.9 | -179.9 | -60.1 | -176.3 | 8.5 | 0 | 0 | 110.3 | Q28 T36 D40 | Q28-Q38 PolarHBondContact NE2-O 3.03Å; T36-Q38 PolarHBondContact O-N 2.73Å; T36-Q38 PolarHBondContact OG1-N 3.08Å; T36-Q38 VanDerWaalsContact OG1-N 3.12Å; T36-Q38 PolarHBondContact OG1-O 3.29Å; Q38-D40 PolarHBondContact O-N 3.46Å |
| 39 | L | 95.3 | Very high | 94.7 | Very high | 88 Ų | 88 | 65.8 Ų | 65.8 | 46% | 0.461 | 34% | 0.343 | S | S | . | . | trans | -75.3 | 61.1 | 172.1 | -67.7 | 175.2 | 0 | 0 | 0 | 110.9 | V24 T43 L44 M47 | V24-L39 HydrophobicContact CG1-CD2 4.4Å; V24-L39 HydrophobicContact CG2-CD2 3.69Å; V24-L39 HydrophobicContact CG2-CG 4.06Å; L39-T43 HydrophobicContact CD2-CG2 3.98Å; L39-L44 HydrophobicContact CB-CD2 4.3Å; L39-L44 HydrophobicContact CB-CG 4.45Å; L39-L44 HydrophobicContact CD2-CD2 4.43Å; L39-M47 HydrophobicContact CD2-CE 3.84Å; L39-M47 HydrophobicContact CD2-SD 4.18Å | ||
| 40 | D | 94.9 | Very high | 94.7 | Very high | 44 Ų | 44 | 64.4 Ų | 64.4 | 24% | 0.235 | 34% | 0.342 | C | S | . | . | trans | -68.1 | 167.5 | 177.5 | 62.1 | 43.1 | 0 | 0 | 0 | 112.3 | T36 Q38 A42 T43 L44 | T36-D40 PolarHBondContact OG1-OD2 2.91Å; Q38-D40 PolarHBondContact O-N 3.46Å; D40-A42 PolarHBondContact O-N 2.99Å; D40-A42 VanDerWaalsContact O-N 3.12Å; D40-A42 PolarHBondContact OD1-N 2.91Å; D40-T43 WeakPolarHBondContact O-CB 3.44Å; D40-T43 PolarHBondContact O-N 2.94Å; D40-T43 VanDerWaalsContact O-N 3.13Å; D40-T43 VanDerWaalsContact OD1-CB 3.28Å; D40-T43 WeakPolarHBondContact OD1-CB 3.41Å; D40-T43 PolarHBondContact OD1-N 2.93Å; D40-T43 PolarHBondContact OD1-OG1 2.89Å; D40-L44 PolarHBondContact O-N 2.81Å | ||
| 41 | S | 94.3 | Very high | 94.9 | Very high | 73 Ų | 73 | 64.3 Ų | 64.3 | 51% | 0.51 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -61 | -26.6 | -175.8 | 76.6 | 0 | 0 | 0 | 0 | 113.5 | R45 | S41-R45 VanDerWaalsContact CB-NH1 3.28Å; S41-R45 WeakPolarHBondContact O-CB 3.25Å; S41-R45 VanDerWaalsContact O-CG 3.25Å; S41-R45 WeakPolarHBondContact O-CG 3.35Å; S41-R45 PolarHBondContact O-N 2.93Å; S41-R45 PolarHBondContact O-NE 2.99Å; S41-R45 PolarHBondContact O-NH1 3.31Å; S41-R45 PolarHBondContact OG-NH1 3.37Å; S41-R45 PolarHBondContact OG-NH2 3.24Å |
| 42 | A | 94.1 | Very high | 95.2 | Very high | 31 Ų | 31 | 63.7 Ų | 63.7 | 26% | 0.256 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -75.3 | -42.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | D40 R45 Q46 | D40-A42 PolarHBondContact O-N 2.99Å; D40-A42 VanDerWaalsContact O-N 3.12Å; D40-A42 PolarHBondContact OD1-N 2.91Å; A42-R45 PolarHBondContact O-N 2.81Å; A42-Q46 WeakPolarHBondContact O-CB 3.17Å; A42-Q46 PolarHBondContact O-N 2.87Å |
| 43 | T | 96.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -57.6 | -52.1 | 174.1 | -58.8 | 0 | 0 | 0 | 0 | 110.7 | V24 Y27 Q28 L39 D40 R45 Q46 M47 | V24-T43 HydrophobicContact CG1-CG2 4.38Å; Y27-T43 HydrophobicContact CD1-CG2 3.89Å; Y27-T43 HydrophobicContact CE1-CG2 3.64Å; Q28-T43 HydrophobicContact CG-CG2 4.44Å; Q28-T43 PolarHBondContact NE2-OG1 3.33Å; L39-T43 HydrophobicContact CD2-CG2 3.98Å; D40-T43 WeakPolarHBondContact O-CB 3.44Å; D40-T43 PolarHBondContact O-N 2.94Å; D40-T43 VanDerWaalsContact O-N 3.13Å; D40-T43 VanDerWaalsContact OD1-CB 3.28Å; D40-T43 WeakPolarHBondContact OD1-CB 3.41Å; D40-T43 PolarHBondContact OD1-N 2.93Å; D40-T43 PolarHBondContact OD1-OG1 2.89Å; T43-R45 PolarHBondContact O-N 3.27Å; T43-Q46 PolarHBondContact O-N 2.9Å; T43-M47 HydrophobicContact CG2-CE 3.91Å; T43-M47 HydrophobicContact CG2-SD 4.47Å; T43-M47 WeakPolarHBondContact O-CG 3.48Å; T43-M47 PolarHBondContact O-N 2.84Å |
| 44 | L | 95.7 | Very high | 95.4 | Very high | 92 Ų | 92 | 55.9 Ų | 55.9 | 48% | 0.482 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -64.3 | -38 | 179.5 | -67.5 | 173.6 | 0 | 0 | 0 | 113 | L39 D40 Q46 M47 A48 | L39-L44 HydrophobicContact CB-CD2 4.3Å; L39-L44 HydrophobicContact CB-CG 4.45Å; L39-L44 HydrophobicContact CD2-CD2 4.43Å; D40-L44 PolarHBondContact O-N 2.81Å; L44-Q46 VanDerWaalsContact C-N 3.34Å; L44-M47 PolarHBondContact O-N 3.47Å; L44-A48 PolarHBondContact O-N 3.01Å |
| 45 | R | 93.3 | Very high | 95.3 | Very high | 151 Ų | 151 | 53.6 Ų | 53.6 | 57% | 0.57 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -62.8 | -42.7 | 174.2 | -80.4 | -172.6 | -60.1 | -88.4 | -0.8 | 111.5 | S41 A42 T43 A48 | S41-R45 VanDerWaalsContact CB-NH1 3.28Å; S41-R45 WeakPolarHBondContact O-CB 3.25Å; S41-R45 VanDerWaalsContact O-CG 3.25Å; S41-R45 WeakPolarHBondContact O-CG 3.35Å; S41-R45 PolarHBondContact O-N 2.93Å; S41-R45 PolarHBondContact O-NE 2.99Å; S41-R45 PolarHBondContact O-NH1 3.31Å; S41-R45 PolarHBondContact OG-NH1 3.37Å; S41-R45 PolarHBondContact OG-NH2 3.24Å; A42-R45 PolarHBondContact O-N 2.81Å; T43-R45 PolarHBondContact O-N 3.27Å; R45-A48 PolarHBondContact O-N 3.17Å |
| 46 | Q | 94.6 | Very high | 95.2 | Very high | 52 Ų | 52 | 49.1 Ų | 49.1 | 24% | 0.243 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67.3 | -39.3 | 178.7 | -171.8 | 63.5 | 44.4 | 0 | 0 | 111.3 | Y27 L33 A42 T43 L44 A48 E49 Y221 | Y27-Q46 VanDerWaalsContact OH-CB 3.31Å; Y27-Q46 WeakPolarHBondContact OH-CB 3.37Å; Y27-Q46 WeakPolarHBondContact OH-CG 3.47Å; L33-Q46 HydrophobicContact CD1-CB 4.01Å; L33-Q46 HydrophobicContact CD1-CG 4.27Å; A42-Q46 WeakPolarHBondContact O-CB 3.17Å; A42-Q46 PolarHBondContact O-N 2.87Å; T43-Q46 PolarHBondContact O-N 2.9Å; L44-Q46 VanDerWaalsContact C-N 3.34Å; Q46-A48 PolarHBondContact O-N 2.88Å; Q46-E49 PolarHBondContact O-N 3.09Å; Q46-E49 VanDerWaalsContact O-N 3.14Å; Q46-Y221 HydrophobicContact CG-CE1 4.35Å; Q46-Y221 HydrophobicContact CG-CE2 3.9Å; Q46-Y221 VanDerWaalsContact NE2-CD1 3.29Å; Q46-Y221 VanDerWaalsContact NE2-CE2 3.33Å; Q46-Y221 WeakPolarHBondContact O-CE1 3.43Å; Q46-Y221 PolarHBondContact O-OH 2.82Å; Q46-Y221 VanDerWaalsContact O-OH 3.13Å |
| 47 | M | 95.5 | Very high | 94.9 | Very high | 28 Ų | 28 | 51.6 Ų | 51.6 | 14% | 0.138 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.2 | -24 | 175.5 | -72.8 | -176.9 | 173.4 | 0 | 0 | 113.6 | F1 L2 Y27 L39 T43 L44 | F1-M47 HydrophobicContact CB-SD 4.41Å; F1-M47 HydrophobicContact CD1-CE 3.79Å; F1-M47 HydrophobicContact CD1-CG 3.88Å; F1-M47 HydrophobicContact CD1-SD 3.85Å; F1-M47 HydrophobicContact CD2-CB 3.87Å; F1-M47 HydrophobicContact CD2-CG 4.09Å; F1-M47 HydrophobicContact CE1-CB 4.5Å; F1-M47 HydrophobicContact CE1-CE 4.08Å; F1-M47 HydrophobicContact CE1-CG 3.78Å; F1-M47 HydrophobicContact CE1-SD 4.31Å; F1-M47 HydrophobicContact CE2-CB 3.78Å; F1-M47 HydrophobicContact CE2-CG 3.97Å; F1-M47 VanDerWaalsContact CE2-O 3.25Å; F1-M47 WeakPolarHBondContact CE2-O 3.21Å; F1-M47 HydrophobicContact CG-CB 4.28Å; F1-M47 HydrophobicContact CG-CG 4.06Å; F1-M47 HydrophobicContact CG-SD 4.01Å; F1-M47 HydrophobicContact CZ-CB 4.13Å; F1-M47 HydrophobicContact CZ-CG 3.82Å; L2-M47 HydrophobicContact CD2-CE 3.88Å; L2-M47 HydrophobicContact CG-CE 4.41Å; Y27-M47 HydrophobicContact CD1-CE 3.56Å; Y27-M47 HydrophobicContact CD2-CE 4.34Å; Y27-M47 HydrophobicContact CE1-CE 3.64Å; Y27-M47 HydrophobicContact CE1-CG 3.86Å; Y27-M47 HydrophobicContact CE2-CE 4.39Å; Y27-M47 HydrophobicContact CE2-CG 4.15Å; Y27-M47 HydrophobicContact CG-CE 3.93Å; Y27-M47 WeakPolarHBondContact OH-CG 3.33Å; Y27-M47 PolarHBondContact OH-N 3.3Å; Y27-M47 VanDerWaalsContact OH-N 3.16Å; L39-M47 HydrophobicContact CD2-CE 3.84Å; L39-M47 HydrophobicContact CD2-SD 4.18Å; T43-M47 HydrophobicContact CG2-CE 3.91Å; T43-M47 HydrophobicContact CG2-SD 4.47Å; T43-M47 WeakPolarHBondContact O-CG 3.48Å; T43-M47 PolarHBondContact O-N 2.84Å; L44-M47 PolarHBondContact O-N 3.47Å |
| 48 | A | 92 | Very high | 94.3 | Very high | 79 Ų | 79 | 52.5 Ų | 52.5 | 65% | 0.653 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | -6.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | L44 R45 Q46 | L44-A48 PolarHBondContact O-N 3.01Å; R45-A48 PolarHBondContact O-N 3.17Å; Q46-A48 PolarHBondContact O-N 2.88Å |
| 49 | E | 93.4 | Very high | 93.8 | Very high | 99 Ų | 99 | 46.3 Ų | 46.3 | 46% | 0.463 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -77.1 | 144.8 | 177.8 | -70.4 | -73.5 | 160.4 | 0 | 0 | 111 | Q46 Y221 | Q46-E49 PolarHBondContact O-N 3.09Å; Q46-E49 VanDerWaalsContact O-N 3.14Å; E49-Y221 HydrophobicContact CB-CD1 3.83Å; E49-Y221 HydrophobicContact CB-CE1 4.05Å |
| 50 | P | 95.4 | Very high | 93.3 | Very high | 28 Ų | 28 | 45.2 Ų | 45.2 | 18% | 0.182 | 25% | 0.253 | C | S | . | . | trans | -60.2 | 139.7 | 178.2 | -21.1 | 31.4 | 0 | 0 | 0 | 112.9 | G163 L165 Y222 | P50-G163 CarbonylContact C-O 3.49Å; P50-G163 VanDerWaalsContact CA-O 3.23Å; P50-G163 WeakPolarHBondContact CA-O 3.47Å; P50-L165 HydrophobicContact CB-CD1 4.21Å; P50-L165 HydrophobicContact CB-CD2 3.94Å; P50-L165 HydrophobicContact CB-CG 4.12Å; P50-Y222 WeakPolarHBondContact O-CB 3.38Å; P50-Y222 PolarHBondContact O-N 2.89Å | ||
| 51 | R | 97.1 | Very high | 92.8 | Very high | 3 Ų | 3 | 47.7 Ų | 47.7 | 1% | 0.011 | 26% | 0.263 | C | S | . | . | B | Isolated β-bridge | trans | -151.3 | 172.2 | -173.8 | 62.5 | 166.4 | -69.6 | 166.4 | 12.3 | 113.2 | Y5 D56 G163 L165 P220 Y221 | Y5-R51 HydrophobicContact CE1-CG 4.27Å; Y5-R51 VanDerWaalsContact CZ-CD 3.4Å; R51-D56 IonicContact CZ-OD1 3.26Å; R51-D56 IonicContact CZ-OD2 3.3Å; R51-D56 IonicContact NH1-OD2 3.55Å; R51-D56 PolarHBondContact NH1-OD2 3.15Å; R51-D56 IonicContact NH2-OD1 2.98Å; R51-D56 PolarHBondContact NH2-OD1 2.95Å; R51-D56 IonicContact NH2-OD2 2.91Å; R51-D56 PolarHBondContact NH2-OD2 3.26Å; R51-G163 PolarHBondContact N-O 2.85Å; R51-L165 PolarHBondContact O-N 2.94Å; R51-P220 CarbonylContact C-O 3.56Å; R51-P220 VanDerWaalsContact CA-O 3.26Å; R51-P220 WeakPolarHBondContact CA-O 3.25Å; R51-P220 WeakPolarHBondContact CB-O 3.23Å; R51-P220 VanDerWaalsContact NH2-CB 3.33Å; R51-Y221 HydrophobicContact CB-CD1 3.8Å; R51-Y221 HydrophobicContact CB-CE1 4.02Å; R51-Y221 HydrophobicContact CB-CG 4.38Å; R51-Y221 HydrophobicContact CG-CE1 4.35Å |
| 52 | C | 97.9 | Very high | 92.4 | Very high | 5 Ų | 5 | 46.8 Ų | 46.8 | 3% | 0.034 | 26% | 0.255 | C | S | . | . | trans | -68.6 | 145.9 | 166.1 | -177.6 | 0 | 0 | 0 | 0 | 110.8 | Y5 V54 H200 E201 H210 P220 | Y5-C52 WeakPolarHBondContact CE1-O 3.33Å; C52-V54 VanDerWaalsContact SG-CG2 3.59Å; C52-V54 PolarHBondContact SG-N 2.89Å; C52-V54 VanDerWaalsContact SG-N 3.41Å; C52-H200 WeakPolarHBondContact CB-NE2 3.3Å; C52-E201 PolarHBondContact SG-OE1 2.94Å; C52-E201 PolarHBondContact SG-OE2 3.25Å; C52-E201 VanDerWaalsContact SG-OE2 3.39Å; C52-H210 WeakPolarHBondContact CB-NE2 3.37Å; C52-P220 PolarHBondContact N-O 2.98Å | ||
| 53 | G | 96.8 | Very high | 92 | Very high | 7 Ų | 7 | 47.9 Ų | 47.9 | 7% | 0.072 | 25% | 0.252 | C | S | . | . | trans | -82.1 | -12 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | T164 A166 | G53-T164 VanDerWaalsContact CA-CG2 3.42Å; G53-A166 PolarHBondContact N-O 3.16Å | ||
| 54 | V | 95.9 | Very high | 91.4 | Very high | 21 Ų | 21 | 49.6 Ų | 49.6 | 13% | 0.127 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -64.2 | 143.7 | 177.4 | 178.6 | 0 | 0 | 0 | 0 | 110.5 | C52 H167 A168 H210 | C52-V54 VanDerWaalsContact SG-CG2 3.59Å; C52-V54 PolarHBondContact SG-N 2.89Å; C52-V54 VanDerWaalsContact SG-N 3.41Å; V54-H167 HydrophobicContact CG2-CB 4.02Å; V54-A168 VanDerWaalsContact CG2-N 3.34Å; V54-A168 WeakPolarHBondContact CG2-O 3.33Å; V54-H210 PolarHBondContact O-CE1 2.88Å |
| 55 | S | 93.9 | Very high | 90.9 | Very high | 41 Ų | 41 | 50.1 Ų | 50.1 | 29% | 0.287 | 27% | 0.267 | S | S | . | . | trans | -57.8 | 145.6 | 175.7 | -176 | 0 | 0 | 0 | 0 | 111.5 | Y5 G6 E57 | Y5-S55 PolarHBondContact O-OG 2.74Å; G6-S55 WeakPolarHBondContact CA-OG 3.27Å; S55-E57 VanDerWaalsContact C-N 3.33Å; S55-E57 VanDerWaalsContact OG-CB 3.27Å; S55-E57 WeakPolarHBondContact OG-CB 3.4Å; S55-E57 PolarHBondContact OG-N 2.89Å | ||
| 56 | D | 94.5 | Very high | 90.5 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | trans | -89.1 | -4.6 | 173.1 | -68.3 | -39.9 | 0 | 0 | 0 | 112.6 | Y5 Y7 L30 R51 G58 S59 H210 | Y5-D56 WeakPolarHBondContact O-CB 3.25Å; Y5-D56 PolarHBondContact O-N 3.31Å; Y7-D56 HydrophobicContact CE1-CB 3.99Å; Y7-D56 HydrophobicContact CE2-CB 3.89Å; Y7-D56 VanDerWaalsContact CE2-OD2 3.27Å; Y7-D56 WeakPolarHBondContact CE2-OD2 3.42Å; Y7-D56 VanDerWaalsContact CZ-CB 3.47Å; Y7-D56 WeakPolarHBondContact OH-CB 3.3Å; Y7-D56 VanDerWaalsContact OH-CG 3.29Å; Y7-D56 PolarHBondContact OH-OD2 3.07Å; L30-D56 HydrophobicContact CD2-CB 3.59Å; L30-D56 VanDerWaalsContact CD2-CG 3.43Å; L30-D56 WeakPolarHBondContact CD2-OD1 3.48Å; R51-D56 IonicContact CZ-OD1 3.26Å; R51-D56 IonicContact CZ-OD2 3.3Å; R51-D56 IonicContact NH1-OD2 3.55Å; R51-D56 PolarHBondContact NH1-OD2 3.15Å; R51-D56 IonicContact NH2-OD1 2.98Å; R51-D56 PolarHBondContact NH2-OD1 2.95Å; R51-D56 IonicContact NH2-OD2 2.91Å; R51-D56 PolarHBondContact NH2-OD2 3.26Å; D56-G58 PolarHBondContact O-N 2.87Å; D56-S59 WeakPolarHBondContact O-CB 3.34Å; D56-S59 PolarHBondContact O-N 2.89Å; D56-S59 VanDerWaalsContact O-N 3.15Å; D56-S59 PolarHBondContact O-OG 3.23Å; D56-S59 VanDerWaalsContact O-OG 3.1Å; D56-H210 IonicContact OD1-CE1 3.65Å; D56-H210 IonicContact OD1-CG 2.69Å; D56-H210 IonicContact OD1-ND1 3.64Å; D56-H210 PolarHBondContact OD1-ND1 3.1Å | ||
| 57 | E | 88.8 | Confident | 89.9 | Confident | 104 Ų | 104 | 42.6 Ų | 42.6 | 49% | 0.486 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | 134.8 | -177.8 | -173.1 | 178.5 | -179.5 | 0 | 0 | 111.8 | H9 S55 S59 | H9-E57 VanDerWaalsContact CE1-CD 3.48Å; H9-E57 IonicContact CE1-OE1 3.29Å; H9-E57 PolarHBondContact CE1-OE1 3.48Å; H9-E57 VanDerWaalsContact CE1-OE1 3.26Å; H9-E57 IonicContact CE1-OE2 3.37Å; H9-E57 PolarHBondContact CE1-OE2 3.14Å; H9-E57 IonicContact NE2-OE1 3.38Å; S55-E57 VanDerWaalsContact C-N 3.33Å; S55-E57 VanDerWaalsContact OG-CB 3.27Å; S55-E57 WeakPolarHBondContact OG-CB 3.4Å; S55-E57 PolarHBondContact OG-N 2.89Å; E57-S59 PolarHBondContact O-N 3.3Å |
| 58 | G | 83.8 | Confident | 89.3 | Confident | 25 Ų | 25 | 45.6 Ų | 45.6 | 26% | 0.258 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.5 | -13.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | D56 Q60 Q61 V62 | D56-G58 PolarHBondContact O-N 2.87Å; G58-Q60 VanDerWaalsContact C-N 3.3Å; G58-Q60 PolarHBondContact O-N 2.75Å; G58-Q61 PolarHBondContact O-N 2.96Å; G58-Q61 VanDerWaalsContact O-N 3.15Å; G58-Q61 PolarHBondContact O-OE1 3.39Å; G58-V62 WeakPolarHBondContact O-CG2 3.16Å; G58-V62 PolarHBondContact O-N 3.11Å |
| 59 | S | 86.2 | Confident | 88.7 | Confident | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.007 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.4 | -38.5 | -175 | -69.8 | 0 | 0 | 0 | 0 | 112.6 | D56 E57 W63 | D56-S59 WeakPolarHBondContact O-CB 3.34Å; D56-S59 PolarHBondContact O-N 2.89Å; D56-S59 VanDerWaalsContact O-N 3.15Å; D56-S59 PolarHBondContact O-OG 3.23Å; D56-S59 VanDerWaalsContact O-OG 3.1Å; E57-S59 PolarHBondContact O-N 3.3Å; S59-W63 VanDerWaalsContact O-CB 3.27Å; S59-W63 WeakPolarHBondContact O-CB 3.32Å; S59-W63 PolarHBondContact O-N 3.14Å |
| 60 | Q | 84.2 | Confident | 88 | Confident | 64 Ų | 64 | 43.9 Ų | 43.9 | 30% | 0.299 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -64 | -45.3 | 176.9 | 174.6 | 169.2 | -13.4 | 0 | 0 | 111.8 | W29 G58 W63 A64 | W29-Q60 HydrophobicContact CD2-CG 4.13Å; W29-Q60 HydrophobicContact CE3-CB 3.84Å; W29-Q60 HydrophobicContact CE3-CG 3.74Å; W29-Q60 HydrophobicContact CH2-CB 4.02Å; W29-Q60 HydrophobicContact CH2-CG 3.68Å; W29-Q60 HydrophobicContact CZ2-CG 4.03Å; W29-Q60 HydrophobicContact CZ3-CB 3.48Å; W29-Q60 VanDerWaalsContact CZ3-CB 3.48Å; W29-Q60 HydrophobicContact CZ3-CG 3.53Å; G58-Q60 VanDerWaalsContact C-N 3.3Å; G58-Q60 PolarHBondContact O-N 2.75Å; Q60-W63 PolarHBondContact O-N 2.95Å; Q60-A64 VanDerWaalsContact O-CB 3.31Å; Q60-A64 WeakPolarHBondContact O-CB 3.27Å; Q60-A64 PolarHBondContact O-N 3.08Å |
| 61 | Q | 84.6 | Confident | 87 | Confident | 96 Ų | 96 | 50.6 Ų | 50.6 | 45% | 0.449 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -66 | -47.9 | -178.7 | -63.3 | 79.5 | -5.9 | 0 | 0 | 110 | G58 W63 A64 Q65 | G58-Q61 PolarHBondContact O-N 2.96Å; G58-Q61 VanDerWaalsContact O-N 3.15Å; G58-Q61 PolarHBondContact O-OE1 3.39Å; Q61-W63 VanDerWaalsContact C-N 3.35Å; Q61-W63 PolarHBondContact O-N 3.17Å; Q61-A64 PolarHBondContact O-N 3.06Å; Q61-Q65 WeakPolarHBondContact O-CB 3.25Å; Q61-Q65 VanDerWaalsContact O-CG 3.25Å; Q61-Q65 WeakPolarHBondContact O-CG 3.28Å; Q61-Q65 PolarHBondContact O-N 2.78Å |
| 62 | V | 85.4 | Confident | 86 | Confident | 55 Ų | 55 | 54.5 Ų | 54.5 | 33% | 0.333 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60.2 | -44.3 | 177.9 | 171.5 | 0 | 0 | 0 | 0 | 111 | G58 R66 E209 | G58-V62 WeakPolarHBondContact O-CG2 3.16Å; G58-V62 PolarHBondContact O-N 3.11Å; V62-R66 WeakPolarHBondContact O-CB 3.37Å; V62-R66 PolarHBondContact O-N 2.78Å; V62-E209 HydrophobicContact CB-CG 4.47Å; V62-E209 HydrophobicContact CG1-CB 4.48Å; V62-E209 HydrophobicContact CG1-CG 4.25Å; V62-E209 HydrophobicContact CG2-CG 4.28Å |
| 63 | W | 86.7 | Confident | 84.4 | Confident | 53 Ų | 53 | 57.5 Ų | 57.5 | 20% | 0.201 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -64.1 | -47.5 | 177.2 | -174.8 | 89.5 | 0 | 0 | 0 | 112.1 | W29 S59 Q60 Q61 Q65 R66 V67 P212 D234 | W29-W63 HydrophobicContact CH2-CD2 4.3Å; W29-W63 AromaticContact CH2-CE3 3.82Å; W29-W63 HydrophobicContact CH2-CE3 3.82Å; W29-W63 HydrophobicContact CH2-CZ3 4.43Å; W29-W63 AromaticContact CZ2-CE3 3.96Å; W29-W63 HydrophobicContact CZ2-CE3 3.96Å; W29-W63 HydrophobicContact CZ2-CZ3 4.14Å; S59-W63 VanDerWaalsContact O-CB 3.27Å; S59-W63 WeakPolarHBondContact O-CB 3.32Å; S59-W63 PolarHBondContact O-N 3.14Å; Q60-W63 PolarHBondContact O-N 2.95Å; Q61-W63 VanDerWaalsContact C-N 3.35Å; Q61-W63 PolarHBondContact O-N 3.17Å; W63-Q65 VanDerWaalsContact C-N 3.34Å; W63-Q65 PolarHBondContact O-N 3.31Å; W63-R66 VanDerWaalsContact CD1-NH2 3.25Å; W63-R66 PolarHBondContact O-N 2.83Å; W63-V67 HydrophobicContact CD2-CG2 3.81Å; W63-V67 HydrophobicContact CE3-CG2 4.02Å; W63-V67 HydrophobicContact CH2-CB 4.5Å; W63-V67 HydrophobicContact CH2-CG1 4.47Å; W63-V67 HydrophobicContact CH2-CG2 3.78Å; W63-V67 HydrophobicContact CZ2-CG2 3.55Å; W63-V67 HydrophobicContact CZ3-CB 4.44Å; W63-V67 HydrophobicContact CZ3-CG2 4Å; W63-V67 WeakPolarHBondContact O-CG2 3.41Å; W63-V67 PolarHBondContact O-N 3.37Å; W63-P212 HydrophobicContact CB-CG 4.3Å; W63-P212 HydrophobicContact CD2-CG 3.6Å; W63-P212 HydrophobicContact CE3-CG 4.31Å; W63-P212 HydrophobicContact CG-CG 3.55Å; W63-P212 HydrophobicContact CZ2-CG 4.29Å; W63-D234 PolarHBondContact NE1-OD1 2.83Å |
| 64 | A | 84.5 | Confident | 82.7 | Confident | 36 Ų | 36 | 64.8 Ų | 64.8 | 30% | 0.298 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61.3 | -42.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q60 Q61 V67 N68 | Q60-A64 VanDerWaalsContact O-CB 3.31Å; Q60-A64 WeakPolarHBondContact O-CB 3.27Å; Q60-A64 PolarHBondContact O-N 3.08Å; Q61-A64 PolarHBondContact O-N 3.06Å; A64-V67 PolarHBondContact O-N 2.89Å; A64-N68 WeakPolarHBondContact O-CB 3.26Å; A64-N68 VanDerWaalsContact O-CG 3.23Å; A64-N68 PolarHBondContact O-N 3.42Å; A64-N68 PolarHBondContact O-ND2 2.91Å |
| 65 | Q | 83.6 | Confident | 80.8 | Confident | 104 Ų | 104 | 73.6 Ų | 73.6 | 49% | 0.486 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -60.2 | -46.7 | 174.8 | -73.1 | 176.1 | 7.7 | 0 | 0 | 111.7 | Q61 W63 V67 N68 V69 | Q61-Q65 WeakPolarHBondContact O-CB 3.25Å; Q61-Q65 VanDerWaalsContact O-CG 3.25Å; Q61-Q65 WeakPolarHBondContact O-CG 3.28Å; Q61-Q65 PolarHBondContact O-N 2.78Å; W63-Q65 VanDerWaalsContact C-N 3.34Å; W63-Q65 PolarHBondContact O-N 3.31Å; Q65-V67 PolarHBondContact O-N 3.48Å; Q65-N68 PolarHBondContact O-N 3.06Å; Q65-V69 WeakPolarHBondContact O-CG2 3.32Å; Q65-V69 PolarHBondContact O-N 3.44Å; Q65-V69 VanDerWaalsContact O-N 3.12Å |
| 66 | R | 85.1 | Confident | 78.8 | Confident | 18 Ų | 18 | 79.5 Ų | 79.5 | 7% | 0.068 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -59.2 | -48 | 178 | 176.4 | 168.9 | 68.3 | -114.7 | 12.1 | 111.8 | V62 W63 N68 V69 I70 D234 Q241 | V62-R66 WeakPolarHBondContact O-CB 3.37Å; V62-R66 PolarHBondContact O-N 2.78Å; W63-R66 VanDerWaalsContact CD1-NH2 3.25Å; W63-R66 PolarHBondContact O-N 2.83Å; R66-N68 PolarHBondContact O-N 3.24Å; R66-V69 PolarHBondContact O-N 3.12Å; R66-I70 HydrophobicContact CG-CD1 4.32Å; R66-I70 WeakPolarHBondContact O-CG1 3.47Å; R66-I70 PolarHBondContact O-N 3Å; R66-D234 IonicContact CZ-OD1 3.86Å; R66-D234 IonicContact NE-OD1 2.77Å; R66-D234 PolarHBondContact NE-OD1 3.43Å; R66-D234 VanDerWaalsContact NH2-CG 3.3Å; R66-D234 IonicContact NH2-OD1 3.7Å; R66-D234 PolarHBondContact NH2-OD1 3.3Å; R66-D234 IonicContact NH2-OD2 2.79Å; R66-D234 PolarHBondContact NH2-OD2 3.03Å; R66-Q241 VanDerWaalsContact CG-OE1 3.31Å |
| 67 | V | 83 | Confident | 76.4 | Confident | 26 Ų | 26 | 87.6 Ų | 87.6 | 16% | 0.158 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -63.9 | -41.9 | -179.9 | 172.9 | 0 | 0 | 0 | 0 | 111.6 | W63 A64 Q65 V69 I70 F71 | W63-V67 HydrophobicContact CD2-CG2 3.81Å; W63-V67 HydrophobicContact CE3-CG2 4.02Å; W63-V67 HydrophobicContact CH2-CB 4.5Å; W63-V67 HydrophobicContact CH2-CG1 4.47Å; W63-V67 HydrophobicContact CH2-CG2 3.78Å; W63-V67 HydrophobicContact CZ2-CG2 3.55Å; W63-V67 HydrophobicContact CZ3-CB 4.44Å; W63-V67 HydrophobicContact CZ3-CG2 4Å; W63-V67 WeakPolarHBondContact O-CG2 3.41Å; W63-V67 PolarHBondContact O-N 3.37Å; A64-V67 PolarHBondContact O-N 2.89Å; Q65-V67 PolarHBondContact O-N 3.48Å; V67-V69 VanDerWaalsContact C-N 3.32Å; V67-V69 PolarHBondContact O-N 3.32Å; V67-I70 WeakPolarHBondContact O-CB 3.42Å; V67-I70 PolarHBondContact O-N 2.99Å; V67-I70 VanDerWaalsContact O-N 3.13Å; V67-F71 HydrophobicContact CG1-CD2 3.58Å; V67-F71 HydrophobicContact CG1-CE2 3.54Å; V67-F71 VanDerWaalsContact O-CD2 3.29Å; V67-F71 WeakPolarHBondContact O-CD2 3.3Å; V67-F71 PolarHBondContact O-N 2.81Å; V67-F71 VanDerWaalsContact O-N 3.12Å |
| 68 | N | 82.4 | Confident | 74.5 | Confident | 91 Ų | 91 | 89.9 Ų | 89.9 | 49% | 0.487 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -60.1 | -40.5 | 176.6 | -76.6 | -19.9 | 0 | 0 | 0 | 112.4 | A64 Q65 R66 I70 F71 T72 | A64-N68 WeakPolarHBondContact O-CB 3.26Å; A64-N68 VanDerWaalsContact O-CG 3.23Å; A64-N68 PolarHBondContact O-N 3.42Å; A64-N68 PolarHBondContact O-ND2 2.91Å; Q65-N68 PolarHBondContact O-N 3.06Å; R66-N68 PolarHBondContact O-N 3.24Å; N68-I70 VanDerWaalsContact C-N 3.3Å; N68-I70 PolarHBondContact O-N 2.7Å; N68-F71 PolarHBondContact O-N 3.13Å; N68-T72 WeakPolarHBondContact O-CB 3.09Å; N68-T72 WeakPolarHBondContact O-CG2 3.39Å; N68-T72 PolarHBondContact O-N 2.98Å; N68-T72 PolarHBondContact O-OG1 3.38Å |
| 69 | V | 80.4 | Confident | 72.4 | Confident | 49 Ų | 49 | 97.5 Ų | 97.5 | 30% | 0.297 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62 | -39.4 | 176.4 | 171.5 | 0 | 0 | 0 | 0 | 111.2 | Q65 R66 V67 G73 R75 | Q65-V69 WeakPolarHBondContact O-CG2 3.32Å; Q65-V69 PolarHBondContact O-N 3.44Å; Q65-V69 VanDerWaalsContact O-N 3.12Å; R66-V69 PolarHBondContact O-N 3.12Å; V67-V69 VanDerWaalsContact C-N 3.32Å; V67-V69 PolarHBondContact O-N 3.32Å; V69-G73 WeakPolarHBondContact O-CA 3.42Å; V69-G73 PolarHBondContact O-N 3.12Å; V69-R75 HydrophobicContact CG2-CG 4.41Å |
| 70 | I | 77.2 | Confident | 70.4 | Confident | 93 Ų | 93 | 107.2 Ų | 107.2 | 48% | 0.477 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.7 | -44.9 | 178.5 | -66 | 164.4 | 0 | 0 | 0 | 111.2 | R66 V67 N68 L237 | R66-I70 HydrophobicContact CG-CD1 4.32Å; R66-I70 WeakPolarHBondContact O-CG1 3.47Å; R66-I70 PolarHBondContact O-N 3Å; V67-I70 WeakPolarHBondContact O-CB 3.42Å; V67-I70 PolarHBondContact O-N 2.99Å; V67-I70 VanDerWaalsContact O-N 3.13Å; N68-I70 VanDerWaalsContact C-N 3.3Å; N68-I70 PolarHBondContact O-N 2.7Å; I70-L237 HydrophobicContact CD1-CD1 3.89Å |
| 71 | F | 75.6 | Confident | 68.3 | Low | 170 Ų | 170 | 115.4 Ų | 115.4 | 75% | 0.746 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -81 | -33.7 | -175.5 | -77 | -71.3 | 0 | 0 | 0 | 114 | V67 N68 | V67-F71 HydrophobicContact CG1-CD2 3.58Å; V67-F71 HydrophobicContact CG1-CE2 3.54Å; V67-F71 VanDerWaalsContact O-CD2 3.29Å; V67-F71 WeakPolarHBondContact O-CD2 3.3Å; V67-F71 PolarHBondContact O-N 2.81Å; V67-F71 VanDerWaalsContact O-N 3.12Å; N68-F71 PolarHBondContact O-N 3.13Å |
| 72 | T | 75.8 | Confident | 66.1 | Low | 84 Ų | 84 | 122.1 Ų | 122.1 | 52% | 0.515 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -101.8 | -16.7 | -173.1 | 66.7 | 0 | 0 | 0 | 0 | 113.8 | N68 K74 | N68-T72 WeakPolarHBondContact O-CB 3.09Å; N68-T72 WeakPolarHBondContact O-CG2 3.39Å; N68-T72 PolarHBondContact O-N 2.98Å; N68-T72 PolarHBondContact O-OG1 3.38Å; T72-K74 PolarHBondContact O-N 3.41Å; T72-K74 PolarHBondContact OG1-N 3.17Å |
| 73 | G | 64.3 | Low | 63.7 | Low | 68 Ų | 68 | 129.4 Ų | 129.4 | 70% | 0.701 | 59% | 0.594 | S | S | * | * | trans | 64.4 | -0.1 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | V69 | V69-G73 WeakPolarHBondContact O-CA 3.42Å; V69-G73 PolarHBondContact O-N 3.12Å | ||
| 74 | K | 59.8 | Low | 61.2 | Low | 161 Ų | 161 | 131.8 Ų | 131.8 | 70% | 0.7 | 63% | 0.626 | S | S | * | * | trans | -107.9 | 121.2 | -177.4 | -68 | -179.3 | -178.2 | 179.7 | 0 | 109.6 | T72 Q76 | T72-K74 PolarHBondContact O-N 3.41Å; T72-K74 PolarHBondContact OG1-N 3.17Å; K74-Q76 PolarHBondContact O-N 2.75Å | ||
| 75 | R | 57.8 | Low | 59 | Low | 206 Ų | 206 | 134.5 Ų | 134.5 | 78% | 0.777 | 65% | 0.648 | S | S | * | * | trans | -69.5 | 106.3 | 159.9 | -89.5 | 179.4 | 152.8 | 178.3 | -6.5 | 107.1 | V69 L77 | V69-R75 HydrophobicContact CG2-CG 4.41Å; R75-L77 PolarHBondContact O-N 2.73Å | ||
| 76 | Q | 51.7 | Low | 57.1 | Low | 164 Ų | 164 | 136.3 Ų | 136.3 | 77% | 0.766 | 66% | 0.661 | S | S | * | * | trans | -61.9 | 113.4 | 169.2 | -88.4 | -169.5 | -21.4 | 0 | 0 | 108.5 | K74 Q78 | K74-Q76 PolarHBondContact O-N 2.75Å; Q76-Q78 PolarHBondContact O-N 3.48Å; Q76-Q78 VanDerWaalsContact O-N 3.11Å | ||
| 77 | L | 43.8 | Very low | 55.6 | Low | 171 Ų | 171 | 142.9 Ų | 142.9 | 90% | 0.895 | 69% | 0.692 | S | S | * | * | trans | -68.7 | 99.4 | 162.2 | -76.5 | 160.2 | 0 | 0 | 0 | 106.5 | R75 H79 | R75-L77 PolarHBondContact O-N 2.73Å; L77-H79 PolarHBondContact O-N 3.45Å | ||
| 78 | Q | 49.1 | Very low | 54.6 | Low | 152 Ų | 152 | 145 Ų | 145 | 71% | 0.71 | 71% | 0.713 | S | S | * | * | trans | -67.6 | 130.7 | 169.5 | -80.1 | -165.2 | -8.2 | 0 | 0 | 109.6 | Q76 R80 | Q76-Q78 PolarHBondContact O-N 3.48Å; Q76-Q78 VanDerWaalsContact O-N 3.11Å; Q78-R80 PolarHBondContact O-N 2.89Å | ||
| 79 | H | 39.9 | Very low | 54.6 | Low | 185 Ų | 185 | 143.5 Ų | 143.5 | 86% | 0.856 | 70% | 0.703 | S | S | * | * | trans | -48.8 | 106.4 | 166.9 | -104.7 | -107.2 | 0 | 0 | 0 | 110.3 | L77 R81 | L77-H79 PolarHBondContact O-N 3.45Å; H79-R81 PolarHBondContact O-N 2.88Å | ||
| 80 | R | 44 | Very low | 55 | Low | 205 Ų | 205 | 145.1 Ų | 145.1 | 77% | 0.774 | 71% | 0.706 | S | S | * | * | trans | 24.5 | 67.4 | 144.3 | -144 | 178.2 | -170.5 | 174.3 | 1.4 | 115.4 | Q78 | Q78-R80 PolarHBondContact O-N 2.89Š| ||
| 81 | R | 40.6 | Very low | 55.9 | Low | 237 Ų | 237 | 142.5 Ų | 142.5 | 89% | 0.894 | 69% | 0.69 | S | S | * | * | trans | -122.9 | 119.1 | 155.9 | -98 | -175.7 | 169 | -176.2 | -3.1 | 109.5 | H79 | H79-R81 PolarHBondContact O-N 2.88Š| ||
| 82 | R | 37.7 | Very low | 56.7 | Low | 237 Ų | 237 | 143.3 Ų | 143.3 | 89% | 0.894 | 69% | 0.689 | S | S | * | * | trans | 45.5 | 89.7 | 171.8 | -70.6 | -178.2 | 172.6 | 171.8 | -3.1 | 117.3 | A84 | R82-A84 PolarHBondContact O-N 2.85Š| ||
| 83 | R | 34.7 | Very low | 57.5 | Low | 207 Ų | 207 | 143.7 Ų | 143.7 | 78% | 0.781 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.7 | 86.6 | 163.5 | -59.5 | 172.3 | -172.4 | 175 | -3.5 | 110.2 | ||
| 84 | A | 34.7 | Very low | 58.9 | Low | 104 Ų | 104 | 145.1 Ų | 145.1 | 86% | 0.86 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -162.6 | -24.3 | 162.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | R82 | R82-A84 PolarHBondContact O-N 2.85Š|
| 85 | A | 37.8 | Very low | 60.6 | Low | 93 Ų | 93 | 143.3 Ų | 143.3 | 77% | 0.769 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -124.5 | -4 | -168.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 86 | D | 44.5 | Very low | 62.5 | Low | 142 Ų | 142 | 133.5 Ų | 133.5 | 76% | 0.759 | 63% | 0.625 | S | S | * | * | trans | -109.4 | 29.2 | -158.5 | -124.6 | 10.4 | 0 | 0 | 0 | 115 | ||||
| 87 | Q | 52.1 | Low | 64.7 | Low | 155 Ų | 155 | 128 Ų | 128 | 72% | 0.724 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -101.5 | 118.3 | 163.7 | -72.6 | -167.9 | -8.1 | 0 | 0 | 108 | E89 | Q87-E89 PolarHBondContact O-N 2.82Š|
| 88 | A | 61.8 | Low | 67.2 | Low | 71 Ų | 71 | 120.3 Ų | 120.3 | 59% | 0.587 | 56% | 0.562 | S | S | * | * | trans | -45.7 | 117.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | K90 L242 | A88-K90 PolarHBondContact O-N 3Å; A88-L242 HydrophobicContact CB-CD2 4.05Å | ||
| 89 | E | 82.3 | Confident | 69.5 | Low | 60 Ų | 60 | 114.7 Ų | 114.7 | 28% | 0.28 | 54% | 0.536 | S | S | . | . | trans | -62.7 | 112 | -179.3 | -73.4 | -159.5 | 158.6 | 0 | 0 | 108.4 | Q87 L170 P171 R172 G207 | Q87-E89 PolarHBondContact O-N 2.82Å; E89-L170 HydrophobicContact CB-CB 4.3Å; E89-L170 HydrophobicContact CB-CD1 4.4Å; E89-L170 WeakPolarHBondContact OE2-CB 3.42Å; E89-P171 WeakPolarHBondContact O-CG 3.19Å; E89-R172 WeakPolarHBondContact OE1-CD 3.27Å; E89-R172 IonicContact OE1-CZ 3.8Å; E89-R172 IonicContact OE1-NE 2.72Å; E89-R172 PolarHBondContact OE1-NE 2.88Å; E89-R172 IonicContact OE1-NH1 2.82Å; E89-R172 PolarHBondContact OE1-NH1 3.46Å; E89-G207 VanDerWaalsContact O-CA 3.27Å; E89-G207 WeakPolarHBondContact O-CA 3.13Å | ||
| 90 | K | 90.7 | Very high | 72.2 | Confident | 83 Ų | 83 | 106.8 Ų | 106.8 | 36% | 0.361 | 50% | 0.5 | S | S | . | . | trans | -135.2 | 156.4 | -179.6 | 76.1 | 172.3 | -166.2 | 168.4 | 0 | 110.8 | A88 L242 Y243 | A88-K90 PolarHBondContact O-N 3Å; K90-L242 HydrophobicContact CB-CD2 4.32Å; K90-L242 HydrophobicContact CD-CD2 4.41Å; K90-L242 PolarHBondContact NZ-O 3.24Å; K90-L242 VanDerWaalsContact NZ-O 3.12Å; K90-Y243 HydrophobicContact CB-CE1 4.33Å | ||
| 91 | W | 94.6 | Very high | 74.6 | Confident | 37 Ų | 37 | 99.6 Ų | 99.6 | 14% | 0.14 | 48% | 0.478 | C | S | . | . | trans | -69.7 | 135.4 | 169.6 | -64.2 | 103.6 | 0 | 0 | 0 | 111.1 | L96 D140 I141 P171 T205 Y243 | W91-L96 HydrophobicContact CB-CD1 4.3Å; W91-L96 HydrophobicContact CB-CD2 3.92Å; W91-L96 HydrophobicContact CD2-CD1 4.41Å; W91-L96 HydrophobicContact CD2-CD2 3.51Å; W91-L96 HydrophobicContact CE3-CD2 3.85Å; W91-L96 HydrophobicContact CG-CD1 3.85Å; W91-L96 HydrophobicContact CG-CD2 3.56Å; W91-L96 HydrophobicContact CG-CG 4.36Å; W91-D140 HydrophobicContact CH2-CB 3.72Å; W91-D140 VanDerWaalsContact CH2-O 3.31Å; W91-D140 WeakPolarHBondContact CH2-O 3.42Å; W91-D140 HydrophobicContact CZ2-CB 4.09Å; W91-D140 WeakPolarHBondContact CZ2-O 3.18Å; W91-D140 HydrophobicContact CZ3-CB 4.14Å; W91-I141 HydrophobicContact CZ2-CG1 4.08Å; W91-P171 HydrophobicContact CD2-CB 3.78Å; W91-P171 HydrophobicContact CE3-CB 4.45Å; W91-P171 HydrophobicContact CG-CB 3.94Å; W91-P171 HydrophobicContact CG-CG 4.39Å; W91-P171 WeakPolarHBondContact CH2-O 3.21Å; W91-P171 HydrophobicContact CZ2-CB 4.1Å; W91-P171 WeakPolarHBondContact CZ2-O 3.37Å; W91-P171 VanDerWaalsContact CZ3-O 3.3Å; W91-P171 WeakPolarHBondContact CZ3-O 3.4Å; W91-T205 PolarHBondContact NE1-O 3.35Å; W91-Y243 HydrophobicContact CB-CE1 4.1Å; W91-Y243 PolarHBondContact N-OH 3.12Å; W91-Y243 VanDerWaalsContact N-OH 3.08Å | ||
| 92 | Y | 92.4 | Very high | 77.2 | Confident | 187 Ų | 187 | 90.7 Ų | 90.7 | 73% | 0.733 | 45% | 0.448 | S | S | * | . | S | Bend | trans | -83.1 | -17.4 | 174.2 | -63.2 | -73.6 | 0 | 0 | 0 | 113 | ||
| 93 | K | 93.3 | Very high | 79.9 | Confident | 93 Ų | 93 | 83.7 Ų | 83.7 | 40% | 0.404 | 42% | 0.422 | S | S | . | . | trans | -103.1 | 154.9 | 177 | 67.2 | -176.3 | -172.7 | 177.9 | 0 | 111.5 | Q95 L96 D140 | K93-Q95 WeakPolarHBondContact CD-O 3.38Å; K93-Q95 WeakPolarHBondContact CE-O 3.35Å; K93-L96 HydrophobicContact CD-CD2 4.36Å; K93-L96 HydrophobicContact CG-CD2 3.78Å; K93-D140 WeakPolarHBondContact CE-OD1 3.45Å; K93-D140 WeakPolarHBondContact CE-OD2 3.32Å; K93-D140 IonicContact NZ-OD1 2.61Å; K93-D140 PolarHBondContact NZ-OD1 3.06Å; K93-D140 IonicContact NZ-OD2 2.72Å; K93-D140 PolarHBondContact NZ-OD2 3.06Å | ||
| 94 | R | 93.4 | Very high | 82.5 | Confident | 98 Ų | 98 | 74 Ų | 74 | 37% | 0.37 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -93.8 | -28.7 | -178.9 | -56.3 | -50.5 | -160.4 | 141.4 | 9.5 | 113.6 | D128 V130 Y243 | R94-D128 IonicContact CZ-OD2 3.54Å; R94-D128 IonicContact NE-OD2 3.75Å; R94-D128 IonicContact NH1-OD2 2.83Å; R94-D128 IonicContact NH2-OD2 3.58Å; R94-D128 PolarHBondContact NH2-OD2 2.8Å; R94-V130 PolarHBondContact O-N 3.22Å; R94-Y243 VanDerWaalsContact NH1-C 3.29Å; R94-Y243 VanDerWaalsContact NH1-CB 3.31Å; R94-Y243 PolarHBondContact NH1-O 3.15Å; R94-Y243 PolarHBondContact NH2-O 3.07Å |
| 95 | Q | 96.2 | Very high | 84.7 | Confident | 122 Ų | 122 | 80.9 Ų | 80.9 | 57% | 0.57 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 112.4 | 177.9 | -62.9 | -176.4 | 5.1 | 0 | 0 | 107.9 | K93 V130 | K93-Q95 WeakPolarHBondContact CD-O 3.38Å; K93-Q95 WeakPolarHBondContact CE-O 3.35Å; Q95-V130 WeakPolarHBondContact CA-O 3.25Å; Q95-V130 HydrophobicContact CG-CB 4.3Å |
| 96 | L | 97 | Very high | 86.6 | Confident | 1 Ų | 1 | 79.2 Ų | 79.2 | 1% | 0.005 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 136.6 | -179.1 | -63.2 | 171.3 | 0 | 0 | 0 | 109.3 | W91 K93 L129 V130 F131 R132 D140 I141 L206 | W91-L96 HydrophobicContact CB-CD1 4.3Å; W91-L96 HydrophobicContact CB-CD2 3.92Å; W91-L96 HydrophobicContact CD2-CD1 4.41Å; W91-L96 HydrophobicContact CD2-CD2 3.51Å; W91-L96 HydrophobicContact CE3-CD2 3.85Å; W91-L96 HydrophobicContact CG-CD1 3.85Å; W91-L96 HydrophobicContact CG-CD2 3.56Å; W91-L96 HydrophobicContact CG-CG 4.36Å; K93-L96 HydrophobicContact CD-CD2 4.36Å; K93-L96 HydrophobicContact CG-CD2 3.78Å; L96-L129 HydrophobicContact CD1-CD2 4.19Å; L96-V130 PolarHBondContact N-O 3.37Å; L96-F131 HydrophobicContact CB-CD1 3.85Å; L96-F131 HydrophobicContact CB-CE1 4Å; L96-F131 HydrophobicContact CD1-CD1 4.41Å; L96-F131 HydrophobicContact CD1-CE1 3.71Å; L96-F131 HydrophobicContact CD1-CZ 4.48Å; L96-F131 HydrophobicContact CG-CE1 4.42Å; L96-F131 VanDerWaalsContact O-CA 3.3Å; L96-F131 WeakPolarHBondContact O-CA 3.36Å; L96-R132 PolarHBondContact O-N 3.48Å; L96-D140 WeakPolarHBondContact CA-OD2 3.19Å; L96-D140 HydrophobicContact CD2-CB 4.16Å; L96-I141 HydrophobicContact CD1-CD1 4.36Å; L96-L206 HydrophobicContact CD1-CD2 3.74Å |
| 97 | T | 97.4 | Very high | 88.4 | Confident | 47 Ų | 47 | 73 Ų | 73 | 29% | 0.288 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 146.4 | 172.1 | 56.6 | 0 | 0 | 0 | 0 | 110.6 | R132 A139 D140 I141 | T97-R132 CarbonylContact C-O 3.59Å; T97-R132 VanDerWaalsContact CA-O 3.23Å; T97-R132 WeakPolarHBondContact CA-O 3.39Å; T97-A139 WeakPolarHBondContact OG1-CA 3.4Å; T97-D140 PolarHBondContact N-OD2 3.15Å; T97-D140 WeakPolarHBondContact O-CB 3.33Å; T97-D140 PolarHBondContact O-N 3Å; T97-D140 VanDerWaalsContact O-N 3.14Å; T97-D140 PolarHBondContact OG1-N 2.81Å; T97-D140 VanDerWaalsContact OG1-N 3.12Å; T97-D140 PolarHBondContact OG1-OD2 3.43Å; T97-I141 PolarHBondContact O-N 3.11Å |
| 98 | Y | 97.8 | Very high | 89.8 | Confident | 10 Ų | 10 | 66.4 Ų | 66.4 | 4% | 0.039 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 152.7 | 173.3 | 71.2 | -95.5 | 0 | 0 | 0 | 112.1 | V116 F120 F131 R132 E133 A134 I141 | Y98-V116 HydrophobicContact CD2-CG1 3.87Å; Y98-V116 HydrophobicContact CE2-CG1 3.56Å; Y98-F120 VanDerWaalsContact CB-CE2 3.45Å; Y98-F120 HydrophobicContact CD1-CD1 4.32Å; Y98-F120 AromaticContact CD1-CD2 3.45Å; Y98-F120 HydrophobicContact CD1-CD2 3.45Å; Y98-F120 VanDerWaalsContact CD1-CD2 3.45Å; Y98-F120 HydrophobicContact CD1-CE1 4.31Å; Y98-F120 AromaticContact CD1-CE2 3.44Å; Y98-F120 HydrophobicContact CD1-CE2 3.44Å; Y98-F120 VanDerWaalsContact CD1-CE2 3.44Å; Y98-F120 AromaticContact CD1-CG 3.92Å; Y98-F120 HydrophobicContact CD1-CG 3.92Å; Y98-F120 AromaticContact CD1-CZ 3.89Å; Y98-F120 HydrophobicContact CD1-CZ 3.89Å; Y98-F120 AromaticContact CD2-CD2 3.91Å; Y98-F120 HydrophobicContact CD2-CD2 3.91Å; Y98-F120 AromaticContact CD2-CE2 3.42Å; Y98-F120 HydrophobicContact CD2-CE2 3.42Å; Y98-F120 VanDerWaalsContact CD2-CE2 3.42Å; Y98-F120 HydrophobicContact CD2-CZ 4.24Å; Y98-F120 HydrophobicContact CE1-CB 4.42Å; Y98-F120 AromaticContact CE1-CD2 3.53Å; Y98-F120 HydrophobicContact CE1-CD2 3.53Å; Y98-F120 AromaticContact CE1-CE2 3.97Å; Y98-F120 HydrophobicContact CE1-CE2 3.97Å; Y98-F120 HydrophobicContact CE1-CG 4.02Å; Y98-F120 HydrophobicContact CE2-CD2 4.02Å; Y98-F120 AromaticContact CE2-CE2 3.98Å; Y98-F120 HydrophobicContact CE2-CE2 3.98Å; Y98-F120 AromaticContact CG-CD2 3.64Å; Y98-F120 HydrophobicContact CG-CD2 3.64Å; Y98-F120 HydrophobicContact CG-CE1 4.39Å; Y98-F120 AromaticContact CG-CE2 3.12Å; Y98-F120 HydrophobicContact CG-CE2 3.12Å; Y98-F120 HydrophobicContact CG-CG 4.45Å; Y98-F120 AromaticContact CG-CZ 3.57Å; Y98-F120 HydrophobicContact CG-CZ 3.57Å; Y98-F120 AromaticContact CZ-CD2 3.83Å; Y98-F131 HydrophobicContact CD1-CB 4.12Å; Y98-F131 HydrophobicContact CE1-CB 4.19Å; Y98-R132 WeakPolarHBondContact CD1-O 3.45Å; Y98-R132 PolarHBondContact N-O 2.66Å; Y98-E133 HydrophobicContact CD2-CB 4.44Å; Y98-E133 HydrophobicContact CD2-CG 4.26Å; Y98-E133 HydrophobicContact CE1-CB 4.16Å; Y98-E133 HydrophobicContact CE2-CB 3.73Å; Y98-E133 HydrophobicContact CE2-CG 3.63Å; Y98-E133 CarbonylContact O-C 3.43Å; Y98-E133 WeakPolarHBondContact O-CA 3.47Å; Y98-E133 PolarHBondContact OH-OE2 2.89Å; Y98-A134 PolarHBondContact O-N 2.97Å; Y98-I141 CarbonylContact C-O 3.58Å; Y98-I141 WeakPolarHBondContact CA-O 3.39Å |
| 99 | Q | 96.8 | Very high | 90.9 | Very high | 34 Ų | 34 | 65.4 Ų | 65.4 | 16% | 0.159 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 136.4 | 178.2 | -174.5 | -178.1 | 46.6 | 0 | 0 | 110.8 | A139 I141 L143 | Q99-A139 HydrophobicContact CB-CB 3.64Å; Q99-I141 PolarHBondContact N-O 3.48Å; Q99-L143 PolarHBondContact O-N 3.2Å |
| 100 | I | 96.3 | Very high | 90.9 | Very high | 19 Ų | 19 | 63.2 Ų | 63.2 | 10% | 0.097 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 108.2 | 168.6 | -56.7 | 164.3 | 0 | 0 | 0 | 106.6 | W103 V112 R113 V116 | I100-W103 HydrophobicContact CG2-CE3 4.06Å; I100-V112 HydrophobicContact CD1-CG1 4.39Å; I100-V112 HydrophobicContact CG2-CG1 4.06Å; I100-R113 HydrophobicContact CD1-CB 4.34Å; I100-R113 HydrophobicContact CD1-CG 3.62Å; I100-V116 HydrophobicContact CD1-CB 4Å; I100-V116 HydrophobicContact CD1-CG1 4.03Å; I100-V116 HydrophobicContact CD1-CG2 3.96Å; I100-V116 HydrophobicContact CG1-CB 4.37Å; I100-V116 HydrophobicContact CG1-CG1 4.02Å; I100-V116 HydrophobicContact CG1-CG2 4.09Å |
| 101 | V | 95.3 | Very high | 90.6 | Very high | 54 Ų | 54 | 59.4 Ų | 59.4 | 33% | 0.327 | 27% | 0.265 | S | S | . | . | trans | -78.4 | -44.2 | -172.3 | 179.5 | 0 | 0 | 0 | 0 | 111.1 | R142 L143 A144 | V101-R142 HydrophobicContact CG2-CB 4.1Å; V101-L143 WeakPolarHBondContact CB-O 3.35Å; V101-L143 PolarHBondContact N-O 3.31Å; V101-A144 HydrophobicContact CB-CB 4.03Å; V101-A144 HydrophobicContact CG2-CB 4.4Å | ||
| 102 | N | 95.1 | Very high | 90.5 | Very high | 50 Ų | 50 | 57.7 Ų | 57.7 | 27% | 0.267 | 26% | 0.259 | S | S | . | . | trans | -154.2 | 176.3 | 176 | 65.2 | -8.1 | 0 | 0 | 0 | 109.2 | A144 F145 | N102-A144 VanDerWaalsContact OD1-CA 3.3Å; N102-A144 WeakPolarHBondContact OD1-CA 3.36Å; N102-F145 PolarHBondContact ND2-O 3.42Å; N102-F145 VanDerWaalsContact O-CD2 3.25Å; N102-F145 WeakPolarHBondContact O-CD2 3.24Å; N102-F145 PolarHBondContact OD1-N 3.3Å | ||
| 103 | W | 94.1 | Very high | 90.4 | Very high | 91 Ų | 91 | 54 Ų | 54 | 35% | 0.345 | 24% | 0.243 | S | C | . | . | trans | -158.7 | 160.4 | 179.4 | 59.7 | 92.9 | 0 | 0 | 0 | 111.6 | I100 R105 L109 V112 F145 | I100-W103 HydrophobicContact CG2-CE3 4.06Å; W103-R105 PolarHBondContact O-N 3.18Å; W103-L109 HydrophobicContact CD2-CD1 4.02Å; W103-L109 HydrophobicContact CE3-CD1 3.86Å; W103-L109 HydrophobicContact CH2-CD1 3.69Å; W103-L109 HydrophobicContact CH2-CD2 4.03Å; W103-L109 HydrophobicContact CH2-CG 4.28Å; W103-L109 HydrophobicContact CZ2-CB 3.88Å; W103-L109 HydrophobicContact CZ2-CD1 3.81Å; W103-L109 HydrophobicContact CZ2-CD2 4.14Å; W103-L109 HydrophobicContact CZ2-CG 4.15Å; W103-L109 HydrophobicContact CZ3-CD1 3.7Å; W103-V112 HydrophobicContact CB-CB 4.4Å; W103-V112 HydrophobicContact CB-CG1 4.03Å; W103-V112 HydrophobicContact CB-CG2 3.86Å; W103-V112 HydrophobicContact CG-CG2 4.13Å; W103-F145 HydrophobicContact CB-CD2 4.49Å; W103-F145 HydrophobicContact CB-CE2 4.27Å | ||
| 104 | P | 89.6 | Confident | 90.2 | Very high | 2 Ų | 2 | 51.3 Ų | 51.3 | 1% | 0.013 | 23% | 0.233 | C | C | . | . | trans | -65.1 | 131.6 | 177.3 | 25.3 | -35.9 | 0 | 0 | 0 | 111.7 | H106 L107 F145 M180 W184 | P104-H106 VanDerWaalsContact CB-CE1 3.45Å; P104-H106 WeakPolarHBondContact CB-CE1 3.41Å; P104-H106 PolarHBondContact O-N 3.41Å; P104-L107 HydrophobicContact CG-CB 4.39Å; P104-L107 HydrophobicContact CG-CD1 3.85Å; P104-L107 HydrophobicContact CG-CG 4.09Å; P104-L107 PolarHBondContact O-N 2.74Å; P104-F145 HydrophobicContact CG-CD1 4.39Å; P104-F145 HydrophobicContact CG-CE1 4.19Å; P104-M180 VanDerWaalsContact CA-SD 3.56Å; P104-M180 HydrophobicContact CB-SD 3.76Å; P104-W184 HydrophobicContact CG-CB 4.39Å; P104-W184 HydrophobicContact CG-CG 4.44Å | ||
| 105 | R | 81.3 | Confident | 90.2 | Very high | 250 Ų | 250 | 46.6 Ų | 46.6 | 94% | 0.943 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -22.5 | -174.5 | -65 | -174.3 | -178.7 | -170.6 | 0.5 | 114.5 | W103 L107 | W103-R105 PolarHBondContact O-N 3.18Å; R105-L107 VanDerWaalsContact C-N 3.27Å |
| 106 | H | 77.8 | Confident | 90.1 | Very high | 58 Ų | 58 | 41 Ų | 41 | 27% | 0.269 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -7.2 | 178.1 | 70 | -90 | 0 | 0 | 0 | 113.5 | P104 W184 I285 | P104-H106 VanDerWaalsContact CB-CE1 3.45Å; P104-H106 WeakPolarHBondContact CB-CE1 3.41Å; P104-H106 PolarHBondContact O-N 3.41Å; H106-W184 PolarHBondContact NE2-O 3.2Å; H106-W184 VanDerWaalsContact NE2-O 3.14Å; H106-I285 HydrophobicContact CB-CD1 4.3Å; H106-I285 VanDerWaalsContact O-CD1 3.3Å; H106-I285 WeakPolarHBondContact O-CD1 3.47Å |
| 107 | L | 81.9 | Confident | 90 | Very high | 10 Ų | 10 | 48.9 Ų | 48.9 | 5% | 0.052 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -106.2 | 137.6 | 171.3 | -61.6 | -176.9 | 0 | 0 | 0 | 110.1 | P104 R105 V112 W184 L194 | P104-L107 HydrophobicContact CG-CB 4.39Å; P104-L107 HydrophobicContact CG-CD1 3.85Å; P104-L107 HydrophobicContact CG-CG 4.09Å; P104-L107 PolarHBondContact O-N 2.74Å; R105-L107 VanDerWaalsContact C-N 3.27Å; L107-V112 HydrophobicContact CB-CG2 3.8Å; L107-V112 HydrophobicContact CD1-CG2 4.16Å; L107-W184 HydrophobicContact CD1-CB 3.81Å; L107-L194 HydrophobicContact CD1-CD2 3.93Å |
| 108 | S | 81 | Confident | 89.8 | Confident | 17 Ų | 17 | 47.4 Ų | 47.4 | 12% | 0.119 | 21% | 0.21 | C | C | . | . | trans | -66.5 | 149.2 | 170.4 | 57.4 | 0 | 0 | 0 | 0 | 110.4 | G110 S111 V112 E270 | S108-G110 VanDerWaalsContact C-N 3.3Å; S108-G110 PolarHBondContact O-N 3.24Å; S108-S111 WeakPolarHBondContact O-CB 3.16Å; S108-S111 PolarHBondContact O-N 3Å; S108-S111 VanDerWaalsContact O-N 3.16Å; S108-S111 WeakPolarHBondContact OG-CB 3.17Å; S108-S111 PolarHBondContact OG-N 3.48Å; S108-S111 PolarHBondContact OG-OG 2.74Å; S108-V112 WeakPolarHBondContact O-CG2 3.28Å; S108-V112 PolarHBondContact O-N 3.14Å; S108-V112 VanDerWaalsContact O-N 3.14Å; S108-E270 PolarHBondContact OG-OE2 2.99Å | ||
| 109 | L | 83.8 | Confident | 89.7 | Confident | 50 Ų | 50 | 46.9 Ų | 46.9 | 26% | 0.262 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -57.7 | -42.6 | 178.8 | 173.3 | 56.8 | 0 | 0 | 0 | 112 | W103 S111 V112 R113 | W103-L109 HydrophobicContact CD2-CD1 4.02Å; W103-L109 HydrophobicContact CE3-CD1 3.86Å; W103-L109 HydrophobicContact CH2-CD1 3.69Å; W103-L109 HydrophobicContact CH2-CD2 4.03Å; W103-L109 HydrophobicContact CH2-CG 4.28Å; W103-L109 HydrophobicContact CZ2-CB 3.88Å; W103-L109 HydrophobicContact CZ2-CD1 3.81Å; W103-L109 HydrophobicContact CZ2-CD2 4.14Å; W103-L109 HydrophobicContact CZ2-CG 4.15Å; W103-L109 HydrophobicContact CZ3-CD1 3.7Å; L109-S111 VanDerWaalsContact C-N 3.32Å; L109-S111 PolarHBondContact O-N 2.96Å; L109-V112 PolarHBondContact O-N 3.05Å; L109-R113 HydrophobicContact CD1-CG 4.1Å; L109-R113 HydrophobicContact CG-CG 4.47Å; L109-R113 WeakPolarHBondContact O-CB 3.3Å; L109-R113 PolarHBondContact O-N 3.49Å |
| 110 | G | 84 | Confident | 89.7 | Confident | 14 Ų | 14 | 45.4 Ų | 45.4 | 14% | 0.144 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -68.9 | -32.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | S108 V112 R113 L114 W266 E270 | S108-G110 VanDerWaalsContact C-N 3.3Å; S108-G110 PolarHBondContact O-N 3.24Å; G110-V112 VanDerWaalsContact C-N 3.32Å; G110-V112 PolarHBondContact O-N 3.22Å; G110-R113 PolarHBondContact O-N 2.79Å; G110-L114 WeakPolarHBondContact O-CB 3.3Å; G110-L114 PolarHBondContact O-N 2.97Å; G110-W266 WeakPolarHBondContact O-CH2 3.49Å; G110-W266 WeakPolarHBondContact O-CZ3 3.29Å; G110-E270 WeakPolarHBondContact CA-OE1 3.26Å; G110-E270 PolarHBondContact N-OE1 3.35Å; G110-E270 VanDerWaalsContact N-OE1 3.08Å |
| 111 | S | 84.5 | Confident | 89.6 | Confident | 3 Ų | 3 | 49 Ų | 49 | 2% | 0.021 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.1 | -43.8 | 172.5 | -79.4 | 0 | 0 | 0 | 0 | 111.7 | S108 L109 L114 A115 L186 W266 E270 | S108-S111 WeakPolarHBondContact O-CB 3.16Å; S108-S111 PolarHBondContact O-N 3Å; S108-S111 VanDerWaalsContact O-N 3.16Å; S108-S111 WeakPolarHBondContact OG-CB 3.17Å; S108-S111 PolarHBondContact OG-N 3.48Å; S108-S111 PolarHBondContact OG-OG 2.74Å; L109-S111 VanDerWaalsContact C-N 3.32Å; L109-S111 PolarHBondContact O-N 2.96Å; S111-L114 PolarHBondContact O-N 2.91Å; S111-A115 PolarHBondContact O-N 2.68Å; S111-A115 VanDerWaalsContact O-N 3.12Å; S111-L186 VanDerWaalsContact CB-CD1 3.41Å; S111-L186 WeakPolarHBondContact OG-CD1 3.23Å; S111-W266 VanDerWaalsContact CA-CZ3 3.44Å; S111-W266 VanDerWaalsContact N-CZ3 3.35Å; S111-E270 PolarHBondContact N-OE2 2.82Å; S111-E270 PolarHBondContact OG-OE2 3.21Å |
| 112 | V | 90.8 | Very high | 89.6 | Confident | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.006 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.8 | -48.9 | 174.7 | 178.6 | 0 | 0 | 0 | 0 | 110.4 | I100 W103 L107 S108 L109 G110 L114 A115 V116 L194 | I100-V112 HydrophobicContact CD1-CG1 4.39Å; I100-V112 HydrophobicContact CG2-CG1 4.06Å; W103-V112 HydrophobicContact CB-CB 4.4Å; W103-V112 HydrophobicContact CB-CG1 4.03Å; W103-V112 HydrophobicContact CB-CG2 3.86Å; W103-V112 HydrophobicContact CG-CG2 4.13Å; L107-V112 HydrophobicContact CB-CG2 3.8Å; L107-V112 HydrophobicContact CD1-CG2 4.16Å; S108-V112 WeakPolarHBondContact O-CG2 3.28Å; S108-V112 PolarHBondContact O-N 3.14Å; S108-V112 VanDerWaalsContact O-N 3.14Å; L109-V112 PolarHBondContact O-N 3.05Å; G110-V112 VanDerWaalsContact C-N 3.32Å; G110-V112 PolarHBondContact O-N 3.22Å; V112-L114 VanDerWaalsContact C-N 3.29Å; V112-L114 PolarHBondContact O-N 3.04Å; V112-A115 PolarHBondContact O-N 2.92Å; V112-V116 HydrophobicContact CG1-CG2 4.23Å; V112-V116 WeakPolarHBondContact O-CB 3.45Å; V112-V116 VanDerWaalsContact O-CG2 3.24Å; V112-V116 WeakPolarHBondContact O-CG2 3.37Å; V112-V116 PolarHBondContact O-N 3.41Å; V112-L194 HydrophobicContact CG1-CD2 4.32Å; V112-L194 HydrophobicContact CG2-CD2 4.23Å |
| 113 | R | 91.4 | Very high | 89.7 | Confident | 109 Ų | 109 | 44.2 Ų | 44.2 | 41% | 0.411 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -56.8 | -40.4 | 176.1 | -82.2 | 179.6 | 164.6 | 152.2 | 4.3 | 112.5 | I100 L109 G110 V116 R117 E133 | I100-R113 HydrophobicContact CD1-CB 4.34Å; I100-R113 HydrophobicContact CD1-CG 3.62Å; L109-R113 HydrophobicContact CD1-CG 4.1Å; L109-R113 HydrophobicContact CG-CG 4.47Å; L109-R113 WeakPolarHBondContact O-CB 3.3Å; L109-R113 PolarHBondContact O-N 3.49Å; G110-R113 PolarHBondContact O-N 2.79Å; R113-V116 PolarHBondContact O-N 3.32Å; R113-R117 WeakPolarHBondContact O-CB 3.25Å; R113-R117 PolarHBondContact O-N 3.39Å; R113-E133 IonicContact CZ-OE1 2.94Å; R113-E133 IonicContact NE-OE1 3.36Å; R113-E133 PolarHBondContact NE-OE1 3.13Å; R113-E133 IonicContact NH2-OE1 3.33Å |
| 114 | L | 88.6 | Confident | 89.7 | Confident | 37 Ų | 37 | 41.5 Ų | 41.5 | 19% | 0.194 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.4 | -49.7 | 177.5 | 177.1 | 64.5 | 0 | 0 | 0 | 111.1 | G110 S111 V112 V116 T118 L263 W266 | G110-L114 WeakPolarHBondContact O-CB 3.3Å; G110-L114 PolarHBondContact O-N 2.97Å; S111-L114 PolarHBondContact O-N 2.91Å; V112-L114 VanDerWaalsContact C-N 3.29Å; V112-L114 PolarHBondContact O-N 3.04Å; L114-V116 VanDerWaalsContact C-N 3.34Å; L114-V116 PolarHBondContact O-N 3.21Å; L114-T118 VanDerWaalsContact O-CB 3.24Å; L114-T118 WeakPolarHBondContact O-CB 3.42Å; L114-T118 PolarHBondContact O-N 3.04Å; L114-T118 PolarHBondContact O-OG1 2.9Å; L114-L263 HydrophobicContact CD2-CD2 3.61Å; L114-L263 HydrophobicContact CG-CD2 3.84Å; L114-W266 HydrophobicContact CB-CD2 4.42Å; L114-W266 HydrophobicContact CB-CE3 4.13Å; L114-W266 HydrophobicContact CB-CH2 4.27Å; L114-W266 HydrophobicContact CB-CZ3 4.06Å; L114-W266 HydrophobicContact CD2-CB 3.67Å; L114-W266 HydrophobicContact CD2-CD2 3.34Å; L114-W266 HydrophobicContact CD2-CE3 3.36Å; L114-W266 HydrophobicContact CD2-CG 3.48Å; L114-W266 VanDerWaalsContact CD2-CG 3.48Å; L114-W266 HydrophobicContact CD2-CZ3 4.13Å; L114-W266 HydrophobicContact CG-CD2 4.37Å; L114-W266 HydrophobicContact CG-CE3 4.35Å |
| 115 | A | 92.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -57.5 | -49.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | S111 V112 T118 A119 L186 L194 F195 | S111-A115 PolarHBondContact O-N 2.68Å; S111-A115 VanDerWaalsContact O-N 3.12Å; V112-A115 PolarHBondContact O-N 2.92Å; A115-T118 PolarHBondContact O-N 3.42Å; A115-A119 VanDerWaalsContact O-CB 3.31Å; A115-A119 WeakPolarHBondContact O-CB 3.47Å; A115-A119 PolarHBondContact O-N 3.37Å; A115-L186 HydrophobicContact CB-CD2 3.54Å; A115-L194 HydrophobicContact CB-CD2 4.19Å; A115-L194 HydrophobicContact CB-CG 4.17Å; A115-F195 HydrophobicContact CB-CB 4.06Å |
| 116 | V | 95.8 | Very high | 90.6 | Very high | 4 Ų | 4 | 31.1 Ų | 31.1 | 2% | 0.024 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.1 | -51.9 | -178.5 | 170.4 | 0 | 0 | 0 | 0 | 111.2 | Y98 I100 V112 R113 L114 T118 A119 F120 L143 T198 | Y98-V116 HydrophobicContact CD2-CG1 3.87Å; Y98-V116 HydrophobicContact CE2-CG1 3.56Å; I100-V116 HydrophobicContact CD1-CB 4Å; I100-V116 HydrophobicContact CD1-CG1 4.03Å; I100-V116 HydrophobicContact CD1-CG2 3.96Å; I100-V116 HydrophobicContact CG1-CB 4.37Å; I100-V116 HydrophobicContact CG1-CG1 4.02Å; I100-V116 HydrophobicContact CG1-CG2 4.09Å; V112-V116 HydrophobicContact CG1-CG2 4.23Å; V112-V116 WeakPolarHBondContact O-CB 3.45Å; V112-V116 VanDerWaalsContact O-CG2 3.24Å; V112-V116 WeakPolarHBondContact O-CG2 3.37Å; V112-V116 PolarHBondContact O-N 3.41Å; R113-V116 PolarHBondContact O-N 3.32Å; L114-V116 VanDerWaalsContact C-N 3.34Å; L114-V116 PolarHBondContact O-N 3.21Å; V116-T118 VanDerWaalsContact C-N 3.29Å; V116-T118 PolarHBondContact O-N 3.09Å; V116-A119 WeakPolarHBondContact O-CB 3.28Å; V116-A119 PolarHBondContact O-N 3.37Å; V116-A119 VanDerWaalsContact O-N 3.11Å; V116-F120 HydrophobicContact CG1-CD2 3.85Å; V116-F120 HydrophobicContact CG1-CE2 3.72Å; V116-F120 WeakPolarHBondContact O-CD2 3.21Å; V116-F120 PolarHBondContact O-N 3.34Å; V116-L143 HydrophobicContact CB-CD1 4.26Å; V116-L143 HydrophobicContact CG1-CD1 3.44Å; V116-L143 VanDerWaalsContact CG1-CD1 3.44Å; V116-L143 HydrophobicContact CG2-CD1 3.81Å; V116-T198 HydrophobicContact CG2-CG2 4.19Å |
| 117 | R | 94.1 | Very high | 91.4 | Very high | 166 Ų | 166 | 28.5 Ų | 28.5 | 63% | 0.626 | 14% | 0.137 | S | C | * | . | H | α-helix | trans | -59.8 | -41.8 | 178.9 | -178.1 | 178 | 174.2 | 175.8 | -0 | 111.5 | R113 A119 F120 Q121 | R113-R117 WeakPolarHBondContact O-CB 3.25Å; R113-R117 PolarHBondContact O-N 3.39Å; R117-A119 VanDerWaalsContact C-N 3.31Å; R117-A119 PolarHBondContact O-N 3.05Å; R117-F120 PolarHBondContact O-N 3.26Å; R117-Q121 WeakPolarHBondContact O-CB 3.09Å; R117-Q121 PolarHBondContact O-N 2.98Å |
| 118 | T | 92.5 | Very high | 92 | Very high | 16 Ų | 16 | 29.7 Ų | 29.7 | 10% | 0.098 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -67.5 | -35.2 | 178.4 | -51.5 | 0 | 0 | 0 | 0 | 111.4 | L114 A115 V116 Q121 L122 F195 L259 | L114-T118 VanDerWaalsContact O-CB 3.24Å; L114-T118 WeakPolarHBondContact O-CB 3.42Å; L114-T118 PolarHBondContact O-N 3.04Å; L114-T118 PolarHBondContact O-OG1 2.9Å; A115-T118 PolarHBondContact O-N 3.42Å; V116-T118 VanDerWaalsContact C-N 3.29Å; V116-T118 PolarHBondContact O-N 3.09Å; T118-Q121 PolarHBondContact O-N 3.35Å; T118-L122 PolarHBondContact O-N 2.79Å; T118-F195 HydrophobicContact CG2-CD2 4.1Å; T118-F195 HydrophobicContact CG2-CE2 3.72Å; T118-L259 HydrophobicContact CG2-CD1 3.62Å |
| 119 | A | 96.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -66.4 | -43.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | A115 V116 R117 L122 W123 F195 T198 A199 I202 | A115-A119 VanDerWaalsContact O-CB 3.31Å; A115-A119 WeakPolarHBondContact O-CB 3.47Å; A115-A119 PolarHBondContact O-N 3.37Å; V116-A119 WeakPolarHBondContact O-CB 3.28Å; V116-A119 PolarHBondContact O-N 3.37Å; V116-A119 VanDerWaalsContact O-N 3.11Å; R117-A119 VanDerWaalsContact C-N 3.31Å; R117-A119 PolarHBondContact O-N 3.05Å; A119-L122 VanDerWaalsContact O-CB 3.31Å; A119-L122 WeakPolarHBondContact O-CB 3.31Å; A119-L122 PolarHBondContact O-N 3.38Å; A119-W123 VanDerWaalsContact O-CD1 3.3Å; A119-F195 HydrophobicContact CB-CD2 4.08Å; A119-F195 HydrophobicContact CB-CE2 4.13Å; A119-T198 HydrophobicContact CB-CG2 3.94Å; A119-A199 HydrophobicContact CB-CB 3.84Å; A119-I202 HydrophobicContact CB-CD1 3.74Å |
| 120 | F | 97.3 | Very high | 93.2 | Very high | 3 Ų | 3 | 29.9 Ų | 29.9 | 1% | 0.013 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.6 | -42 | 170.7 | -79.7 | -66 | 0 | 0 | 0 | 112.4 | Y98 V116 R117 L122 W123 S124 F131 I141 L143 I202 | Y98-F120 VanDerWaalsContact CB-CE2 3.45Å; Y98-F120 HydrophobicContact CD1-CD1 4.32Å; Y98-F120 AromaticContact CD1-CD2 3.45Å; Y98-F120 HydrophobicContact CD1-CD2 3.45Å; Y98-F120 VanDerWaalsContact CD1-CD2 3.45Å; Y98-F120 HydrophobicContact CD1-CE1 4.31Å; Y98-F120 AromaticContact CD1-CE2 3.44Å; Y98-F120 HydrophobicContact CD1-CE2 3.44Å; Y98-F120 VanDerWaalsContact CD1-CE2 3.44Å; Y98-F120 AromaticContact CD1-CG 3.92Å; Y98-F120 HydrophobicContact CD1-CG 3.92Å; Y98-F120 AromaticContact CD1-CZ 3.89Å; Y98-F120 HydrophobicContact CD1-CZ 3.89Å; Y98-F120 AromaticContact CD2-CD2 3.91Å; Y98-F120 HydrophobicContact CD2-CD2 3.91Å; Y98-F120 AromaticContact CD2-CE2 3.42Å; Y98-F120 HydrophobicContact CD2-CE2 3.42Å; Y98-F120 VanDerWaalsContact CD2-CE2 3.42Å; Y98-F120 HydrophobicContact CD2-CZ 4.24Å; Y98-F120 HydrophobicContact CE1-CB 4.42Å; Y98-F120 AromaticContact CE1-CD2 3.53Å; Y98-F120 HydrophobicContact CE1-CD2 3.53Å; Y98-F120 AromaticContact CE1-CE2 3.97Å; Y98-F120 HydrophobicContact CE1-CE2 3.97Å; Y98-F120 HydrophobicContact CE1-CG 4.02Å; Y98-F120 HydrophobicContact CE2-CD2 4.02Å; Y98-F120 AromaticContact CE2-CE2 3.98Å; Y98-F120 HydrophobicContact CE2-CE2 3.98Å; Y98-F120 AromaticContact CG-CD2 3.64Å; Y98-F120 HydrophobicContact CG-CD2 3.64Å; Y98-F120 HydrophobicContact CG-CE1 4.39Å; Y98-F120 AromaticContact CG-CE2 3.12Å; Y98-F120 HydrophobicContact CG-CE2 3.12Å; Y98-F120 HydrophobicContact CG-CG 4.45Å; Y98-F120 AromaticContact CG-CZ 3.57Å; Y98-F120 HydrophobicContact CG-CZ 3.57Å; Y98-F120 AromaticContact CZ-CD2 3.83Å; V116-F120 HydrophobicContact CG1-CD2 3.85Å; V116-F120 HydrophobicContact CG1-CE2 3.72Å; V116-F120 WeakPolarHBondContact O-CD2 3.21Å; V116-F120 PolarHBondContact O-N 3.34Å; R117-F120 PolarHBondContact O-N 3.26Å; F120-L122 VanDerWaalsContact C-N 3.25Å; F120-L122 PolarHBondContact O-N 3.49Å; F120-W123 PolarHBondContact O-N 2.84Å; F120-W123 VanDerWaalsContact O-N 3.14Å; F120-S124 PolarHBondContact O-N 3.28Å; F120-F131 HydrophobicContact CB-CB 3.88Å; F120-F131 HydrophobicContact CB-CD2 3.86Å; F120-F131 HydrophobicContact CB-CG 3.87Å; F120-F131 HydrophobicContact CD1-CB 3.97Å; F120-F131 AromaticContact CD1-CD1 3.28Å; F120-F131 HydrophobicContact CD1-CD1 3.28Å; F120-F131 AromaticContact CD1-CD2 3.87Å; F120-F131 HydrophobicContact CD1-CD2 3.87Å; F120-F131 AromaticContact CD1-CE1 3.61Å; F120-F131 HydrophobicContact CD1-CE1 3.61Å; F120-F131 HydrophobicContact CD1-CE2 4.17Å; F120-F131 AromaticContact CD1-CG 3.42Å; F120-F131 HydrophobicContact CD1-CG 3.42Å; F120-F131 VanDerWaalsContact CD1-CG 3.42Å; F120-F131 HydrophobicContact CD1-CZ 4.04Å; F120-F131 AromaticContact CE1-CD1 3.69Å; F120-F131 HydrophobicContact CE1-CD1 3.69Å; F120-F131 AromaticContact CE1-CE1 3.89Å; F120-F131 HydrophobicContact CE1-CE1 3.89Å; F120-F131 HydrophobicContact CE1-CG 4.27Å; F120-F131 HydrophobicContact CG-CB 4.04Å; F120-F131 HydrophobicContact CG-CD1 4.2Å; F120-F131 HydrophobicContact CG-CD2 4.31Å; F120-F131 AromaticContact CG-CG 3.93Å; F120-F131 HydrophobicContact CG-CG 3.93Å; F120-F131 WeakPolarHBondContact O-CD2 3.41Å; F120-F131 WeakPolarHBondContact O-CE2 3.33Å; F120-I141 HydrophobicContact CE1-CD1 3.82Å; F120-I141 HydrophobicContact CE1-CG2 4.41Å; F120-I141 HydrophobicContact CZ-CB 4.27Å; F120-I141 HydrophobicContact CZ-CD1 4.34Å; F120-I141 HydrophobicContact CZ-CG2 3.9Å; F120-L143 HydrophobicContact CE2-CD1 4.08Å; F120-I202 HydrophobicContact CD1-CD1 3.85Å; F120-I202 HydrophobicContact CD1-CG1 4.39Å; F120-I202 HydrophobicContact CD1-CG2 3.88Å; F120-I202 HydrophobicContact CD2-CD1 3.76Å; F120-I202 HydrophobicContact CE1-CB 4.48Å; F120-I202 HydrophobicContact CE1-CD1 3.73Å; F120-I202 HydrophobicContact CE1-CG1 3.88Å; F120-I202 HydrophobicContact CE1-CG2 3.72Å; F120-I202 HydrophobicContact CE2-CD1 3.62Å; F120-I202 HydrophobicContact CE2-CG1 4.32Å; F120-I202 HydrophobicContact CG-CD1 3.87Å; F120-I202 HydrophobicContact CZ-CD1 3.61Å; F120-I202 HydrophobicContact CZ-CG1 3.83Å |
| 121 | Q | 93.8 | Very high | 93.8 | Very high | 94 Ų | 94 | 30.5 Ų | 30.5 | 44% | 0.439 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -62.3 | -34.2 | 178 | -170.5 | 172.4 | 13 | 0 | 0 | 112.3 | R117 T118 W123 S124 N125 | R117-Q121 WeakPolarHBondContact O-CB 3.09Å; R117-Q121 PolarHBondContact O-N 2.98Å; T118-Q121 PolarHBondContact O-N 3.35Å; Q121-W123 VanDerWaalsContact C-N 3.26Å; Q121-W123 PolarHBondContact O-N 3Å; Q121-S124 WeakPolarHBondContact CA-OG 3.3Å; Q121-S124 PolarHBondContact O-N 3.14Å; Q121-S124 PolarHBondContact O-OG 3.16Å; Q121-S124 VanDerWaalsContact O-OG 3.09Å; Q121-N125 VanDerWaalsContact O-CB 3.3Å; Q121-N125 WeakPolarHBondContact O-CB 3.37Å; Q121-N125 PolarHBondContact O-N 2.88Å; Q121-N125 PolarHBondContact O-ND2 2.72Å; Q121-N125 PolarHBondContact O-OD1 3.16Å |
| 122 | L | 94.9 | Very high | 94.4 | Very high | 3 Ų | 3 | 38.1 Ų | 38.1 | 2% | 0.016 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -55.6 | -43.4 | 175.2 | -175.3 | 71.3 | 0 | 0 | 0 | 111.4 | T118 A119 F120 F195 A199 L217 V230 L231 L254 | T118-L122 PolarHBondContact O-N 2.79Å; A119-L122 VanDerWaalsContact O-CB 3.31Å; A119-L122 WeakPolarHBondContact O-CB 3.31Å; A119-L122 PolarHBondContact O-N 3.38Å; F120-L122 VanDerWaalsContact C-N 3.25Å; F120-L122 PolarHBondContact O-N 3.49Å; L122-F195 HydrophobicContact CD2-CZ 4.06Å; L122-A199 HydrophobicContact CD2-CB 3.94Å; L122-L217 HydrophobicContact CD2-CD2 3.77Å; L122-V230 HydrophobicContact CD1-CB 4.14Å; L122-V230 HydrophobicContact CD1-CG1 4.25Å; L122-V230 HydrophobicContact CD2-CB 4.42Å; L122-V230 HydrophobicContact CD2-CG1 3.66Å; L122-L231 HydrophobicContact CD1-CD1 4.15Å; L122-L231 HydrophobicContact CD1-CG 3.9Å; L122-L231 HydrophobicContact CD2-CD1 4.39Å; L122-L231 HydrophobicContact CD2-CD2 3.73Å; L122-L231 HydrophobicContact CD2-CG 3.85Å; L122-L231 HydrophobicContact CG-CD1 3.83Å; L122-L231 HydrophobicContact CG-CD2 4.1Å; L122-L231 HydrophobicContact CG-CG 3.74Å; L122-L254 HydrophobicContact CD1-CB 4.05Å; L122-L254 HydrophobicContact CD1-CD1 3.64Å; L122-L254 HydrophobicContact CD1-CG 4.32Å |
| 123 | W | 96.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -77.7 | -39.2 | 179.6 | -67.2 | 114.6 | 0 | 0 | 0 | 112.9 | A119 F120 Q121 N125 V126 S127 F131 A199 I202 L206 L208 L217 M218 L231 D235 V239 | A119-W123 VanDerWaalsContact O-CD1 3.3Å; F120-W123 PolarHBondContact O-N 2.84Å; F120-W123 VanDerWaalsContact O-N 3.14Å; Q121-W123 VanDerWaalsContact C-N 3.26Å; Q121-W123 PolarHBondContact O-N 3Å; W123-N125 VanDerWaalsContact C-N 3.28Å; W123-N125 PolarHBondContact O-N 3.43Å; W123-V126 HydrophobicContact CE3-CG2 4.5Å; W123-V126 WeakPolarHBondContact O-CG2 3.47Å; W123-V126 PolarHBondContact O-N 3.18Å; W123-S127 WeakPolarHBondContact O-CB 3.33Å; W123-S127 PolarHBondContact O-N 2.92Å; W123-S127 PolarHBondContact O-OG 2.99Å; W123-F131 HydrophobicContact CB-CE2 4.1Å; W123-F131 HydrophobicContact CB-CZ 4.42Å; W123-A199 WeakPolarHBondContact CZ2-O 3.32Å; W123-A199 PolarHBondContact NE1-O 3.38Å; W123-I202 HydrophobicContact CG-CG2 4.34Å; W123-L206 HydrophobicContact CB-CD1 3.92Å; W123-L206 HydrophobicContact CD2-CD1 4.17Å; W123-L206 HydrophobicContact CG-CD1 3.84Å; W123-L208 HydrophobicContact CE3-CD1 4.4Å; W123-L208 HydrophobicContact CH2-CD1 3.38Å; W123-L208 HydrophobicContact CZ2-CD1 4.13Å; W123-L208 HydrophobicContact CZ3-CD1 3.55Å; W123-L217 HydrophobicContact CH2-CD2 4.42Å; W123-L217 HydrophobicContact CZ2-CD2 3.79Å; W123-M218 HydrophobicContact CH2-CG 4.2Å; W123-M218 HydrophobicContact CH2-SD 4.18Å; W123-M218 HydrophobicContact CZ2-SD 4Å; W123-L231 HydrophobicContact CE3-CD1 4.3Å; W123-L231 HydrophobicContact CE3-CD2 4.38Å; W123-L231 HydrophobicContact CH2-CD2 3.76Å; W123-L231 HydrophobicContact CZ2-CD2 4.11Å; W123-L231 HydrophobicContact CZ3-CD1 4.34Å; W123-L231 HydrophobicContact CZ3-CD2 3.9Å; W123-D235 HydrophobicContact CH2-CB 4.16Å; W123-D235 HydrophobicContact CZ3-CB 4.28Å; W123-V239 HydrophobicContact CE3-CB 4.09Å; W123-V239 HydrophobicContact CE3-CG1 4.08Å; W123-V239 HydrophobicContact CE3-CG2 4.06Å; W123-V239 HydrophobicContact CZ3-CB 4.04Å; W123-V239 HydrophobicContact CZ3-CG1 4.13Å; W123-V239 HydrophobicContact CZ3-CG2 4.45Å |
| 124 | S | 95.2 | Very high | 94.7 | Very high | 34 Ų | 34 | 36.7 Ų | 36.7 | 24% | 0.238 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.8 | -30.9 | 175.9 | 65.5 | 0 | 0 | 0 | 0 | 112.5 | F120 Q121 V126 S127 L129 | F120-S124 PolarHBondContact O-N 3.28Å; Q121-S124 WeakPolarHBondContact CA-OG 3.3Å; Q121-S124 PolarHBondContact O-N 3.14Å; Q121-S124 PolarHBondContact O-OG 3.16Å; Q121-S124 VanDerWaalsContact O-OG 3.09Å; S124-V126 PolarHBondContact O-N 2.62Å; S124-V126 VanDerWaalsContact O-N 3.12Å; S124-S127 PolarHBondContact O-N 2.66Å; S124-L129 WeakPolarHBondContact CB-O 3.41Å |
| 125 | N | 93.4 | Very high | 94.3 | Very high | 34 Ų | 34 | 40.4 Ų | 40.4 | 18% | 0.182 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -16.6 | 178 | -78.3 | -8.9 | 0 | 0 | 0 | 113.9 | Q121 W123 P251 V252 | Q121-N125 VanDerWaalsContact O-CB 3.3Å; Q121-N125 WeakPolarHBondContact O-CB 3.37Å; Q121-N125 PolarHBondContact O-N 2.88Å; Q121-N125 PolarHBondContact O-ND2 2.72Å; Q121-N125 PolarHBondContact O-OD1 3.16Å; W123-N125 VanDerWaalsContact C-N 3.28Å; W123-N125 PolarHBondContact O-N 3.43Å; N125-P251 WeakPolarHBondContact O-CA 3.47Å; N125-V252 HydrophobicContact CB-CB 4.21Å; N125-V252 PolarHBondContact O-N 3.2Å |
| 126 | V | 94.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -126.5 | 5.4 | -175.4 | -58.6 | 0 | 0 | 0 | 0 | 113.5 | W123 S124 L231 I236 V239 Q240 P251 | W123-V126 HydrophobicContact CE3-CG2 4.5Å; W123-V126 WeakPolarHBondContact O-CG2 3.47Å; W123-V126 PolarHBondContact O-N 3.18Å; S124-V126 PolarHBondContact O-N 2.62Å; S124-V126 VanDerWaalsContact O-N 3.12Å; V126-L231 HydrophobicContact CB-CD1 4.49Å; V126-L231 HydrophobicContact CG1-CD1 4.1Å; V126-L231 HydrophobicContact CG2-CD1 3.63Å; V126-I236 HydrophobicContact CB-CG1 4.29Å; V126-I236 HydrophobicContact CB-CG2 4.34Å; V126-I236 HydrophobicContact CG1-CD1 4.34Å; V126-I236 HydrophobicContact CG1-CG1 4.13Å; V126-I236 HydrophobicContact CG2-CG1 4.44Å; V126-V239 HydrophobicContact CG2-CG1 3.88Å; V126-Q240 WeakPolarHBondContact O-CG 3.37Å; V126-Q240 PolarHBondContact O-NE2 3.29Å; V126-P251 HydrophobicContact CB-CB 4.48Å; V126-P251 HydrophobicContact CG1-CB 4.1Å |
| 127 | S | 94.8 | Very high | 93.1 | Very high | 3 Ų | 3 | 50.3 Ų | 50.3 | 2% | 0.021 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -141.2 | 169.8 | -179.9 | 66.6 | 0 | 0 | 0 | 0 | 112.1 | W123 S124 L129 G244 P246 | W123-S127 WeakPolarHBondContact O-CB 3.33Å; W123-S127 PolarHBondContact O-N 2.92Å; W123-S127 PolarHBondContact O-OG 2.99Å; S124-S127 PolarHBondContact O-N 2.66Å; S127-L129 PolarHBondContact O-N 2.68Å; S127-L129 WeakPolarHBondContact OG-CB 3.2Å; S127-L129 PolarHBondContact OG-N 2.87Å; S127-G244 WeakPolarHBondContact CA-O 3.27Å; S127-P246 WeakPolarHBondContact O-CA 3.49Å |
| 128 | D | 94.4 | Very high | 92.8 | Very high | 35 Ų | 35 | 48.7 Ų | 48.7 | 19% | 0.187 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -83 | 30.3 | 172.1 | -171.1 | 30.9 | 0 | 0 | 0 | 112.6 | R94 Y243 G244 L247 | R94-D128 IonicContact CZ-OD2 3.54Å; R94-D128 IonicContact NE-OD2 3.75Å; R94-D128 IonicContact NH1-OD2 2.83Å; R94-D128 IonicContact NH2-OD2 3.58Å; R94-D128 PolarHBondContact NH2-OD2 2.8Å; D128-Y243 WeakPolarHBondContact CB-O 3.2Å; D128-G244 PolarHBondContact N-O 2.91Å; D128-L247 VanDerWaalsContact OD1-CD1 3.23Å; D128-L247 WeakPolarHBondContact OD1-CD1 3.38Å; D128-L247 VanDerWaalsContact OD1-CG 3.24Å; D128-L247 WeakPolarHBondContact OD1-CG 3.2Å |
| 129 | L | 95.8 | Very high | 92.9 | Very high | 4 Ų | 4 | 48.7 Ų | 48.7 | 2% | 0.021 | 27% | 0.27 | C | S | . | . | trans | -100.8 | 143.7 | 178.5 | -67.4 | 175.8 | 0 | 0 | 0 | 110.9 | L96 S124 S127 F131 L206 Y243 | L96-L129 HydrophobicContact CD1-CD2 4.19Å; S124-L129 WeakPolarHBondContact CB-O 3.41Å; S127-L129 PolarHBondContact O-N 2.68Å; S127-L129 WeakPolarHBondContact OG-CB 3.2Å; S127-L129 PolarHBondContact OG-N 2.87Å; L129-F131 HydrophobicContact CB-CE2 3.89Å; L129-F131 HydrophobicContact CB-CZ 3.83Å; L129-F131 HydrophobicContact CD1-CZ 3.84Å; L129-F131 HydrophobicContact CG-CZ 4.47Å; L129-L206 HydrophobicContact CD1-CD1 3.97Å; L129-L206 HydrophobicContact CD1-CD2 3.6Å; L129-L206 HydrophobicContact CD1-CG 4.35Å; L129-Y243 HydrophobicContact CD1-CD1 4.19Å; L129-Y243 HydrophobicContact CD1-CD2 3.62Å; L129-Y243 HydrophobicContact CD1-CE1 4.41Å; L129-Y243 HydrophobicContact CD1-CE2 3.9Å; L129-Y243 HydrophobicContact CD1-CG 3.78Å; L129-Y243 HydrophobicContact CD2-CD1 3.62Å; L129-Y243 HydrophobicContact CD2-CE1 4Å; L129-Y243 HydrophobicContact CD2-CG 3.91Å; L129-Y243 HydrophobicContact CG-CD1 4.08Å; L129-Y243 HydrophobicContact CG-CD2 4.19Å; L129-Y243 HydrophobicContact CG-CG 3.83Å | ||
| 130 | V | 95.4 | Very high | 92.9 | Very high | 67 Ų | 67 | 50 Ų | 50 | 41% | 0.406 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 129 | 175.6 | -179.6 | 0 | 0 | 0 | 0 | 108.4 | R94 Q95 L96 | R94-V130 PolarHBondContact O-N 3.22Å; Q95-V130 WeakPolarHBondContact CA-O 3.25Å; Q95-V130 HydrophobicContact CG-CB 4.3Å; L96-V130 PolarHBondContact N-O 3.37Å |
| 131 | F | 96.9 | Very high | 93 | Very high | 27 Ų | 27 | 49.9 Ų | 49.9 | 12% | 0.118 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 140.2 | -178.5 | -58.5 | -77.6 | 0 | 0 | 0 | 111.1 | L96 Y98 F120 W123 L129 I141 L206 | L96-F131 HydrophobicContact CB-CD1 3.85Å; L96-F131 HydrophobicContact CB-CE1 4Å; L96-F131 HydrophobicContact CD1-CD1 4.41Å; L96-F131 HydrophobicContact CD1-CE1 3.71Å; L96-F131 HydrophobicContact CD1-CZ 4.48Å; L96-F131 HydrophobicContact CG-CE1 4.42Å; L96-F131 VanDerWaalsContact O-CA 3.3Å; L96-F131 WeakPolarHBondContact O-CA 3.36Å; Y98-F131 HydrophobicContact CD1-CB 4.12Å; Y98-F131 HydrophobicContact CE1-CB 4.19Å; F120-F131 HydrophobicContact CB-CB 3.88Å; F120-F131 HydrophobicContact CB-CD2 3.86Å; F120-F131 HydrophobicContact CB-CG 3.87Å; F120-F131 HydrophobicContact CD1-CB 3.97Å; F120-F131 AromaticContact CD1-CD1 3.28Å; F120-F131 HydrophobicContact CD1-CD1 3.28Å; F120-F131 AromaticContact CD1-CD2 3.87Å; F120-F131 HydrophobicContact CD1-CD2 3.87Å; F120-F131 AromaticContact CD1-CE1 3.61Å; F120-F131 HydrophobicContact CD1-CE1 3.61Å; F120-F131 HydrophobicContact CD1-CE2 4.17Å; F120-F131 AromaticContact CD1-CG 3.42Å; F120-F131 HydrophobicContact CD1-CG 3.42Å; F120-F131 VanDerWaalsContact CD1-CG 3.42Å; F120-F131 HydrophobicContact CD1-CZ 4.04Å; F120-F131 AromaticContact CE1-CD1 3.69Å; F120-F131 HydrophobicContact CE1-CD1 3.69Å; F120-F131 AromaticContact CE1-CE1 3.89Å; F120-F131 HydrophobicContact CE1-CE1 3.89Å; F120-F131 HydrophobicContact CE1-CG 4.27Å; F120-F131 HydrophobicContact CG-CB 4.04Å; F120-F131 HydrophobicContact CG-CD1 4.2Å; F120-F131 HydrophobicContact CG-CD2 4.31Å; F120-F131 AromaticContact CG-CG 3.93Å; F120-F131 HydrophobicContact CG-CG 3.93Å; F120-F131 WeakPolarHBondContact O-CD2 3.41Å; F120-F131 WeakPolarHBondContact O-CE2 3.33Å; W123-F131 HydrophobicContact CB-CE2 4.1Å; W123-F131 HydrophobicContact CB-CZ 4.42Å; L129-F131 HydrophobicContact CB-CE2 3.89Å; L129-F131 HydrophobicContact CB-CZ 3.83Å; L129-F131 HydrophobicContact CD1-CZ 3.84Å; L129-F131 HydrophobicContact CG-CZ 4.47Å; F131-I141 HydrophobicContact CE1-CD1 4.33Å; F131-L206 HydrophobicContact CE1-CD2 3.97Å; F131-L206 HydrophobicContact CZ-CD1 4.07Å; F131-L206 HydrophobicContact CZ-CD2 3.91Å |
| 132 | R | 95.9 | Very high | 93.1 | Very high | 163 Ų | 163 | 49.8 Ų | 49.8 | 62% | 0.615 | 27% | 0.272 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 133.1 | 174.4 | -66.7 | -173.3 | 174.5 | -177.3 | -1.3 | 110.7 | L96 T97 Y98 A134 | L96-R132 PolarHBondContact O-N 3.48Å; T97-R132 CarbonylContact C-O 3.59Å; T97-R132 VanDerWaalsContact CA-O 3.23Å; T97-R132 WeakPolarHBondContact CA-O 3.39Å; Y98-R132 WeakPolarHBondContact CD1-O 3.45Å; Y98-R132 PolarHBondContact N-O 2.66Å; R132-A134 PolarHBondContact O-N 2.89Å |
| 133 | E | 95.4 | Very high | 93.3 | Very high | 66 Ų | 66 | 49.8 Ų | 49.8 | 31% | 0.308 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 126.4 | 171.7 | -165.3 | 169 | 155.5 | 0 | 0 | 109.1 | Y98 R113 | Y98-E133 HydrophobicContact CD2-CB 4.44Å; Y98-E133 HydrophobicContact CD2-CG 4.26Å; Y98-E133 HydrophobicContact CE1-CB 4.16Å; Y98-E133 HydrophobicContact CE2-CB 3.73Å; Y98-E133 HydrophobicContact CE2-CG 3.63Å; Y98-E133 CarbonylContact O-C 3.43Å; Y98-E133 WeakPolarHBondContact O-CA 3.47Å; Y98-E133 PolarHBondContact OH-OE2 2.89Å; R113-E133 IonicContact CZ-OE1 2.94Å; R113-E133 IonicContact NE-OE1 3.36Å; R113-E133 PolarHBondContact NE-OE1 3.13Å; R113-E133 IonicContact NH2-OE1 3.33Å |
| 134 | A | 93.8 | Very high | 93.3 | Very high | 14 Ų | 14 | 49.9 Ų | 49.9 | 12% | 0.116 | 27% | 0.273 | C | S | . | . | trans | -91.6 | 122.6 | 170.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | Y98 R132 A139 | Y98-A134 PolarHBondContact O-N 2.97Å; R132-A134 PolarHBondContact O-N 2.89Å; A134-A139 HydrophobicContact CB-CB 4.24Å | ||
| 135 | P | 80.9 | Confident | 93.4 | Very high | 115 Ų | 115 | 48.5 Ų | 48.5 | 75% | 0.747 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -69.9 | -36.7 | -179.7 | 27 | -32.4 | 0 | 0 | 0 | 111.8 | ||
| 136 | E | 81.8 | Confident | 93.6 | Very high | 166 Ų | 166 | 50.5 Ų | 50.5 | 78% | 0.776 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -148 | 166.8 | -177.5 | -64.7 | -177 | -176.3 | 0 | 0 | 110.5 | ||
| 137 | G | 81.4 | Confident | 93.5 | Very high | 47 Ų | 47 | 56.9 Ų | 56.9 | 49% | 0.485 | 30% | 0.298 | S | S | . | . | S | Bend | trans | 81.4 | -170.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 138 | P | 87.6 | Confident | 93.5 | Very high | 131 Ų | 131 | 58.1 Ų | 58.1 | 85% | 0.851 | 31% | 0.311 | S | S | * | . | trans | -69.6 | 134.9 | 179.6 | 28.6 | -33.3 | 0 | 0 | 0 | 111 | ||||
| 139 | A | 95 | Very high | 93.5 | Very high | 16 Ų | 16 | 61.4 Ų | 61.4 | 13% | 0.132 | 33% | 0.329 | C | S | . | . | trans | -121.5 | 152.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | T97 Q99 A134 I141 R142 | T97-A139 WeakPolarHBondContact OG1-CA 3.4Å; Q99-A139 HydrophobicContact CB-CB 3.64Å; A134-A139 HydrophobicContact CB-CB 4.24Å; A139-I141 VanDerWaalsContact C-N 3.3Å; A139-I141 PolarHBondContact O-N 2.91Å; A139-R142 HydrophobicContact CB-CG 4.44Å | ||
| 140 | D | 96.5 | Very high | 93.5 | Very high | 29 Ų | 29 | 62.1 Ų | 62.1 | 16% | 0.155 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -65.6 | -37.7 | 177.7 | -59.4 | -52.7 | 0 | 0 | 0 | 112 | W91 K93 L96 T97 G174 | W91-D140 HydrophobicContact CH2-CB 3.72Å; W91-D140 VanDerWaalsContact CH2-O 3.31Å; W91-D140 WeakPolarHBondContact CH2-O 3.42Å; W91-D140 HydrophobicContact CZ2-CB 4.09Å; W91-D140 WeakPolarHBondContact CZ2-O 3.18Å; W91-D140 HydrophobicContact CZ3-CB 4.14Å; K93-D140 WeakPolarHBondContact CE-OD1 3.45Å; K93-D140 WeakPolarHBondContact CE-OD2 3.32Å; K93-D140 IonicContact NZ-OD1 2.61Å; K93-D140 PolarHBondContact NZ-OD1 3.06Å; K93-D140 IonicContact NZ-OD2 2.72Å; K93-D140 PolarHBondContact NZ-OD2 3.06Å; L96-D140 WeakPolarHBondContact CA-OD2 3.19Å; L96-D140 HydrophobicContact CD2-CB 4.16Å; T97-D140 PolarHBondContact N-OD2 3.15Å; T97-D140 WeakPolarHBondContact O-CB 3.33Å; T97-D140 PolarHBondContact O-N 3Å; T97-D140 VanDerWaalsContact O-N 3.14Å; T97-D140 PolarHBondContact OG1-N 2.81Å; T97-D140 VanDerWaalsContact OG1-N 3.12Å; T97-D140 PolarHBondContact OG1-OD2 3.43Å; D140-G174 WeakPolarHBondContact O-CA 3.49Å |
| 141 | I | 98 | Very high | 93.4 | Very high | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 117.2 | -178.8 | -60 | 168.3 | 0 | 0 | 0 | 109.9 | W91 L96 T97 Y98 Q99 F120 F131 A139 L143 G174 T205 L206 | W91-I141 HydrophobicContact CZ2-CG1 4.08Å; L96-I141 HydrophobicContact CD1-CD1 4.36Å; T97-I141 PolarHBondContact O-N 3.11Å; Y98-I141 CarbonylContact C-O 3.58Å; Y98-I141 WeakPolarHBondContact CA-O 3.39Å; Q99-I141 PolarHBondContact N-O 3.48Å; F120-I141 HydrophobicContact CE1-CD1 3.82Å; F120-I141 HydrophobicContact CE1-CG2 4.41Å; F120-I141 HydrophobicContact CZ-CB 4.27Å; F120-I141 HydrophobicContact CZ-CD1 4.34Å; F120-I141 HydrophobicContact CZ-CG2 3.9Å; F131-I141 HydrophobicContact CE1-CD1 4.33Å; A139-I141 VanDerWaalsContact C-N 3.3Å; A139-I141 PolarHBondContact O-N 2.91Å; I141-L143 HydrophobicContact CG2-CD2 3.98Å; I141-G174 CarbonylContact C-O 3.45Å; I141-G174 WeakPolarHBondContact CA-O 3.33Å; I141-T205 HydrophobicContact CG2-CG2 4.1Å; I141-L206 HydrophobicContact CD1-CD2 4.48Å |
| 142 | R | 97.3 | Very high | 93.2 | Very high | 92 Ų | 92 | 66 Ų | 66 | 35% | 0.347 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 128.2 | 179.8 | -61.3 | 175.2 | 71 | -147.3 | 2.3 | 110.3 | V101 A139 G174 E175 A176 | V101-R142 HydrophobicContact CG2-CB 4.1Å; A139-R142 HydrophobicContact CB-CG 4.44Å; R142-G174 PolarHBondContact N-O 3.5Å; R142-E175 HydrophobicContact CB-CG 4.3Å; R142-E175 IonicContact NH1-OE1 3.58Å; R142-E175 CarbonylContact O-C 3.56Å; R142-E175 WeakPolarHBondContact O-CA 3.49Å; R142-A176 PolarHBondContact O-N 2.92Å |
| 143 | L | 98 | Very high | 92.9 | Very high | 2 Ų | 2 | 59.7 Ų | 59.7 | 1% | 0.01 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 120.1 | -179.9 | -52.2 | -178.6 | 0 | 0 | 0 | 108.8 | Q99 V101 V116 F120 I141 A176 F178 T198 | Q99-L143 PolarHBondContact O-N 3.2Å; V101-L143 WeakPolarHBondContact CB-O 3.35Å; V101-L143 PolarHBondContact N-O 3.31Å; V116-L143 HydrophobicContact CB-CD1 4.26Å; V116-L143 HydrophobicContact CG1-CD1 3.44Å; V116-L143 VanDerWaalsContact CG1-CD1 3.44Å; V116-L143 HydrophobicContact CG2-CD1 3.81Å; F120-L143 HydrophobicContact CE2-CD1 4.08Å; I141-L143 HydrophobicContact CG2-CD2 3.98Å; L143-A176 WeakPolarHBondContact CA-O 3.48Å; L143-A176 HydrophobicContact CD2-CB 3.69Å; L143-F178 HydrophobicContact CB-CE2 4.12Å; L143-F178 HydrophobicContact CD2-CE2 4.23Å; L143-T198 HydrophobicContact CD1-CG2 4.15Å |
| 144 | A | 97.1 | Very high | 92.4 | Very high | 2 Ų | 2 | 61 Ų | 61 | 2% | 0.017 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 151.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | V101 N102 Y146 A176 H177 F178 | V101-A144 HydrophobicContact CB-CB 4.03Å; V101-A144 HydrophobicContact CG2-CB 4.4Å; N102-A144 VanDerWaalsContact OD1-CA 3.3Å; N102-A144 WeakPolarHBondContact OD1-CA 3.36Å; A144-Y146 HydrophobicContact CB-CD2 4.3Å; A144-Y146 HydrophobicContact CB-CE2 3.45Å; A144-Y146 VanDerWaalsContact CB-CE2 3.45Å; A144-A176 PolarHBondContact N-O 2.83Å; A144-H177 CarbonylContact O-C 3.47Å; A144-H177 VanDerWaalsContact O-CA 3.23Å; A144-H177 WeakPolarHBondContact O-CA 3.04Å; A144-F178 WeakPolarHBondContact O-CD2 3.3Å; A144-F178 PolarHBondContact O-N 3.42Å |
| 145 | F | 97.9 | Very high | 92.1 | Very high | 6 Ų | 6 | 64 Ų | 64 | 3% | 0.026 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 132.9 | 179.7 | -66.2 | -106.5 | 0 | 0 | 0 | 109.5 | N102 W103 P104 F178 M180 W184 L194 | N102-F145 PolarHBondContact ND2-O 3.42Å; N102-F145 VanDerWaalsContact O-CD2 3.25Å; N102-F145 WeakPolarHBondContact O-CD2 3.24Å; N102-F145 PolarHBondContact OD1-N 3.3Å; W103-F145 HydrophobicContact CB-CD2 4.49Å; W103-F145 HydrophobicContact CB-CE2 4.27Å; P104-F145 HydrophobicContact CG-CD1 4.39Å; P104-F145 HydrophobicContact CG-CE1 4.19Å; F145-F178 CarbonylContact C-O 3.52Å; F145-F178 VanDerWaalsContact CA-O 3.26Å; F145-F178 WeakPolarHBondContact CA-O 3.37Å; F145-F178 HydrophobicContact CD1-CB 3.38Å; F145-F178 HydrophobicContact CD1-CG 4.23Å; F145-F178 HydrophobicContact CD2-CB 4.5Å; F145-F178 HydrophobicContact CD2-CD2 4.45Å; F145-F178 HydrophobicContact CE1-CB 3.53Å; F145-F178 HydrophobicContact CE1-CD2 4.43Å; F145-F178 AromaticContact CE1-CG 3.96Å; F145-F178 HydrophobicContact CE1-CG 3.96Å; F145-F178 HydrophobicContact CE2-CD2 4.25Å; F145-F178 HydrophobicContact CG-CB 3.92Å; F145-F178 HydrophobicContact CZ-CB 4.19Å; F145-F178 HydrophobicContact CZ-CD2 4.24Å; F145-F178 HydrophobicContact CZ-CG 4.15Å; F145-M180 HydrophobicContact CB-CB 4.31Å; F145-M180 HydrophobicContact CB-CE 3.33Å; F145-M180 HydrophobicContact CB-SD 3.83Å; F145-M180 HydrophobicContact CG-CE 4.41Å; F145-W184 AromaticContact CD1-NE1 3.79Å; F145-W184 AromaticContact CE1-CD1 3.95Å; F145-W184 HydrophobicContact CE1-CD2 4.26Å; F145-W184 AromaticContact CE1-CE2 3.94Å; F145-W184 HydrophobicContact CE1-CG 4.27Å; F145-W184 AromaticContact CE1-NE1 3.7Å; F145-L194 HydrophobicContact CE1-CD1 4Å; F145-L194 HydrophobicContact CZ-CD1 3.69Å; F145-L194 HydrophobicContact CZ-CD2 4.41Å |
| 146 | Y | 97.3 | Very high | 92.6 | Very high | 76 Ų | 76 | 60.3 Ų | 60.3 | 30% | 0.298 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 161 | -176.9 | -62.3 | -71.3 | 0 | 0 | 0 | 111.5 | A144 H150 F158 H177 F178 M180 | A144-Y146 HydrophobicContact CB-CD2 4.3Å; A144-Y146 HydrophobicContact CB-CE2 3.45Å; A144-Y146 VanDerWaalsContact CB-CE2 3.45Å; Y146-H150 HydrophobicContact CD1-CB 3.84Å; Y146-H150 HydrophobicContact CD2-CB 4.11Å; Y146-H150 AromaticContact CD2-CD2 3.5Å; Y146-H150 AromaticContact CD2-CG 3.92Å; Y146-H150 HydrophobicContact CG-CB 3.58Å; Y146-H150 AromaticContact CG-CD2 3.85Å; Y146-H150 AromaticContact CG-CG 3.76Å; Y146-F158 WeakPolarHBondContact O-CD2 3.22Å; Y146-H177 HydrophobicContact CD2-CB 4.1Å; Y146-H177 AromaticContact CD2-CG 3.86Å; Y146-H177 HydrophobicContact CE2-CB 4.49Å; Y146-H177 AromaticContact CE2-CD2 3.62Å; Y146-H177 AromaticContact CE2-CE1 3.97Å; Y146-H177 AromaticContact CE2-CG 3.82Å; Y146-H177 AromaticContact CE2-NE2 3.73Å; Y146-F178 PolarHBondContact N-O 2.96Å; Y146-M180 VanDerWaalsContact O-CB 3.3Å; Y146-M180 WeakPolarHBondContact O-CB 3.48Å; Y146-M180 PolarHBondContact O-N 3.14Å |
| 147 | E | 93.1 | Very high | 93.2 | Very high | 133 Ų | 133 | 53.7 Ų | 53.7 | 62% | 0.621 | 33% | 0.328 | S | S | * | . | trans | -113.8 | 139.4 | 170 | -65.7 | -173 | 179.6 | 0 | 0 | 109.2 | M180 | E147-M180 HydrophobicContact CG-CB 3.61Å; E147-M180 HydrophobicContact CG-CG 4.03Å | ||
| 148 | G | 93.6 | Very high | 93.9 | Very high | 29 Ų | 29 | 52.1 Ų | 52.1 | 30% | 0.299 | 31% | 0.308 | S | S | . | . | S | Bend | trans | 58.4 | -137.7 | 173 | 0 | 0 | 0 | 0 | 0 | 113.8 | H150 A157 F158 | G148-H150 PolarHBondContact O-ND1 2.85Å; G148-A157 WeakPolarHBondContact O-CA 3.39Å; G148-F158 PolarHBondContact O-N 3.46Å |
| 149 | D | 95 | Very high | 94.1 | Very high | 105 Ų | 105 | 50 Ų | 50 | 56% | 0.561 | 29% | 0.289 | S | S | * | . | trans | -72.1 | 130.1 | 173.1 | -174.9 | 5.3 | 0 | 0 | 0 | 110.8 | N151 A157 | D149-N151 PolarHBondContact OD1-N 3.46Å; D149-N151 VanDerWaalsContact OD1-N 3.1Å; D149-A157 HydrophobicContact CB-CB 4.22Å | ||
| 150 | H | 95.6 | Very high | 93.8 | Very high | 18 Ų | 18 | 50 Ų | 50 | 8% | 0.083 | 29% | 0.291 | C | S | . | . | trans | -136.9 | 33.3 | -175.9 | 51.8 | -80.4 | 0 | 0 | 0 | 112.7 | Y146 G148 D152 N156 F158 H167 H177 | Y146-H150 HydrophobicContact CD1-CB 3.84Å; Y146-H150 HydrophobicContact CD2-CB 4.11Å; Y146-H150 AromaticContact CD2-CD2 3.5Å; Y146-H150 AromaticContact CD2-CG 3.92Å; Y146-H150 HydrophobicContact CG-CB 3.58Å; Y146-H150 AromaticContact CG-CD2 3.85Å; Y146-H150 AromaticContact CG-CG 3.76Å; G148-H150 PolarHBondContact O-ND1 2.85Å; H150-D152 VanDerWaalsContact C-N 3.31Å; H150-D152 VanDerWaalsContact CD2-CG 3.48Å; H150-D152 IonicContact CD2-OD1 3.22Å; H150-D152 PolarHBondContact CD2-OD1 2.91Å; H150-D152 IonicContact CD2-OD2 3.45Å; H150-D152 PolarHBondContact CD2-OD2 3.33Å; H150-D152 IonicContact CE1-OD1 3.92Å; H150-D152 IonicContact CG-OD1 2.83Å; H150-D152 IonicContact NE2-OD1 3.73Å; H150-D152 PolarHBondContact NE2-OD1 3.46Å; H150-D152 IonicContact NE2-OD2 3.79Å; H150-D152 PolarHBondContact NE2-OD2 3.06Å; H150-D152 VanDerWaalsContact NE2-OD2 3.11Å; H150-D152 PolarHBondContact O-N 2.98Å; H150-N156 PolarHBondContact CE1-O 2.82Å; H150-N156 VanDerWaalsContact CE1-O 3.27Å; H150-F158 AromaticContact CE1-CD2 3.38Å; H150-F158 WeakPolarHBondContact CE1-CD2 3.44Å; H150-F158 AromaticContact CE1-CE2 3.26Å; H150-F158 WeakPolarHBondContact CE1-CE2 3.33Å; H150-F158 AromaticContact CE1-CZ 3.9Å; H150-F158 AromaticContact ND1-CD2 3.76Å; H150-F158 AromaticContact ND1-CE2 3.94Å; H150-F158 AromaticContact NE2-CE2 3.63Å; H150-H167 AromaticContact CE1-CE1 3.53Å; H150-H167 AromaticContact NE2-CE1 3.22Å; H150-H167 PolarHBondContact NE2-CE1 2.92Å; H150-H167 AromaticContact NE2-NE2 3.41Å; H150-H167 PolarHBondContact NE2-NE2 2.87Å; H150-H177 AromaticContact CD2-ND1 3.38Å; H150-H177 PolarHBondContact CD2-ND1 2.92Å; H150-H177 AromaticContact NE2-CG 3.92Å; H150-H177 AromaticContact NE2-ND1 3.34Å; H150-H177 PolarHBondContact NE2-ND1 3.04Å | ||
| 151 | N | 93.3 | Very high | 93.2 | Very high | 159 Ų | 159 | 54 Ų | 54 | 85% | 0.85 | 32% | 0.318 | S | S | * | . | S | Bend | trans | 63.6 | 26.6 | 168.4 | -56.3 | -52.4 | 0 | 0 | 0 | 115.3 | D149 | D149-N151 PolarHBondContact OD1-N 3.46Å; D149-N151 VanDerWaalsContact OD1-N 3.1Å |
| 152 | D | 92.6 | Very high | 92.6 | Very high | 16 Ų | 16 | 55 Ų | 55 | 9% | 0.086 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -118.1 | 13.5 | 174.9 | 69.5 | -10.1 | 0 | 0 | 0 | 113.5 | H150 N156 H167 F169 H177 | H150-D152 VanDerWaalsContact C-N 3.31Å; H150-D152 VanDerWaalsContact CD2-CG 3.48Å; H150-D152 IonicContact CD2-OD1 3.22Å; H150-D152 PolarHBondContact CD2-OD1 2.91Å; H150-D152 IonicContact CD2-OD2 3.45Å; H150-D152 PolarHBondContact CD2-OD2 3.33Å; H150-D152 IonicContact CE1-OD1 3.92Å; H150-D152 IonicContact CG-OD1 2.83Å; H150-D152 IonicContact NE2-OD1 3.73Å; H150-D152 PolarHBondContact NE2-OD1 3.46Å; H150-D152 IonicContact NE2-OD2 3.79Å; H150-D152 PolarHBondContact NE2-OD2 3.06Å; H150-D152 VanDerWaalsContact NE2-OD2 3.11Å; H150-D152 PolarHBondContact O-N 2.98Å; D152-N156 PolarHBondContact O-ND2 2.78Å; D152-N156 WeakPolarHBondContact OD1-CB 3.37Å; D152-H167 IonicContact OD2-CD2 3.48Å; D152-H167 IonicContact OD2-CE1 3.13Å; D152-H167 IonicContact OD2-NE2 3.66Å; D152-H167 PolarHBondContact OD2-NE2 3.13Å; D152-F169 HydrophobicContact CB-CE2 4.31Å; D152-F169 HydrophobicContact CB-CZ 3.93Å; D152-F169 WeakPolarHBondContact OD2-CE2 3.37Å; D152-F169 WeakPolarHBondContact OD2-CZ 3.21Å; D152-H177 IonicContact OD2-CE1 3.98Å; D152-H177 PolarHBondContact OD2-CE1 3.15Å; D152-H177 VanDerWaalsContact OD2-CE1 3.29Å; D152-H177 IonicContact OD2-ND1 2.79Å; D152-H177 PolarHBondContact OD2-ND1 2.93Å |
| 153 | G | 89.9 | Confident | 92.3 | Very high | 32 Ų | 32 | 51.9 Ų | 51.9 | 33% | 0.33 | 33% | 0.326 | S | S | . | . | trans | 123.1 | 136.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | S155 N156 | G153-S155 PolarHBondContact O-N 2.99Å; G153-S155 VanDerWaalsContact O-N 3.12Å; G153-N156 WeakPolarHBondContact O-CA 3.39Å; G153-N156 WeakPolarHBondContact O-CB 3.5Å; G153-N156 PolarHBondContact O-N 3.38Å | ||
| 154 | A | 84.9 | Confident | 92.2 | Very high | 92 Ų | 92 | 51.9 Ų | 51.9 | 76% | 0.76 | 33% | 0.326 | S | S | * | . | G | 310 helix | trans | -59.1 | -29.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | N156 A157 | A154-N156 PolarHBondContact O-N 2.83Å; A154-A157 PolarHBondContact O-N 3.24Å |
| 155 | S | 86.4 | Confident | 92.2 | Very high | 78 Ų | 78 | 52 Ų | 52 | 55% | 0.545 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -69.3 | -21.1 | 174.9 | 55.9 | 0 | 0 | 0 | 0 | 113.8 | G153 | G153-S155 PolarHBondContact O-N 2.99Å; G153-S155 VanDerWaalsContact O-N 3.12Å |
| 156 | N | 92.3 | Very high | 92.2 | Very high | 37 Ų | 37 | 51.7 Ų | 51.7 | 20% | 0.198 | 32% | 0.324 | C | S | . | . | G | 310 helix | trans | -94.6 | -2.7 | -178 | -62.9 | -22.6 | 0 | 0 | 0 | 112.4 | H150 D152 G153 A154 F158 H167 | H150-N156 PolarHBondContact CE1-O 2.82Å; H150-N156 VanDerWaalsContact CE1-O 3.27Å; D152-N156 PolarHBondContact O-ND2 2.78Å; D152-N156 WeakPolarHBondContact OD1-CB 3.37Å; G153-N156 WeakPolarHBondContact O-CA 3.39Å; G153-N156 WeakPolarHBondContact O-CB 3.5Å; G153-N156 PolarHBondContact O-N 3.38Å; A154-N156 PolarHBondContact O-N 2.83Å; N156-F158 PolarHBondContact O-N 2.83Å; N156-H167 PolarHBondContact O-CE1 2.85Å |
| 157 | A | 94 | Very high | 92.3 | Very high | 28 Ų | 28 | 48.2 Ų | 48.2 | 23% | 0.231 | 31% | 0.311 | C | S | . | . | trans | -58 | 133.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | G148 D149 A154 | G148-A157 WeakPolarHBondContact O-CA 3.39Å; D149-A157 HydrophobicContact CB-CB 4.22Å; A154-A157 PolarHBondContact O-N 3.24Å | ||
| 158 | F | 95.9 | Very high | 92.5 | Very high | 13 Ų | 13 | 42.3 Ų | 42.3 | 6% | 0.057 | 29% | 0.285 | C | S | . | . | trans | -72.6 | 146.5 | 177.8 | -69.9 | -54.1 | 0 | 0 | 0 | 111.8 | Y146 G148 H150 N156 T164 H167 H177 D179 | Y146-F158 WeakPolarHBondContact O-CD2 3.22Å; G148-F158 PolarHBondContact O-N 3.46Å; H150-F158 AromaticContact CE1-CD2 3.38Å; H150-F158 WeakPolarHBondContact CE1-CD2 3.44Å; H150-F158 AromaticContact CE1-CE2 3.26Å; H150-F158 WeakPolarHBondContact CE1-CE2 3.33Å; H150-F158 AromaticContact CE1-CZ 3.9Å; H150-F158 AromaticContact ND1-CD2 3.76Å; H150-F158 AromaticContact ND1-CE2 3.94Å; H150-F158 AromaticContact NE2-CE2 3.63Å; N156-F158 PolarHBondContact O-N 2.83Å; F158-T164 HydrophobicContact CD1-CG2 4.12Å; F158-T164 HydrophobicContact CE1-CG2 4.2Å; F158-H167 AromaticContact CE1-CE1 3.89Å; F158-H167 AromaticContact CE1-ND1 3.51Å; F158-H167 AromaticContact CZ-CE1 3.62Å; F158-H167 AromaticContact CZ-ND1 3.62Å; F158-H177 HydrophobicContact CE2-CB 4.2Å; F158-H177 HydrophobicContact CZ-CB 3.94Å; F158-D179 HydrophobicContact CB-CB 4.04Å; F158-D179 HydrophobicContact CD1-CB 3.67Å; F158-D179 HydrophobicContact CD2-CB 4.01Å; F158-D179 HydrophobicContact CE1-CB 4.12Å; F158-D179 HydrophobicContact CE2-CB 4.41Å; F158-D179 HydrophobicContact CG-CB 3.63Å; F158-D179 HydrophobicContact CZ-CB 4.48Å | ||
| 159 | D | 92 | Very high | 92.6 | Very high | 87 Ų | 87 | 42.7 Ų | 42.7 | 47% | 0.465 | 28% | 0.278 | S | S | . | . | trans | -100.5 | 4.4 | -172.8 | 41.6 | 21 | 0 | 0 | 0 | 113.8 | K4 T164 | K4-D159 IonicContact NZ-OD2 3.57Å; K4-D159 PolarHBondContact NZ-OD2 2.8Å; D159-T164 WeakPolarHBondContact OD1-CB 3.37Å; D159-T164 PolarHBondContact OD1-N 3.16Å; D159-T164 PolarHBondContact OD1-OG1 3.36Å; D159-T164 PolarHBondContact OD2-OG1 3.35Å | ||
| 160 | G | 88.3 | Confident | 92.5 | Very high | 16 Ų | 16 | 39.9 Ų | 39.9 | 17% | 0.165 | 26% | 0.263 | C | S | . | . | S | Bend | trans | 88.1 | -160.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | G162 D179 | G160-G162 PolarHBondContact O-N 3.16Å; G160-D179 WeakPolarHBondContact CA-OD2 3.48Å; G160-D179 PolarHBondContact N-OD2 2.97Å; G160-D179 VanDerWaalsContact O-OD2 3.06Å |
| 161 | P | 85.4 | Confident | 92.4 | Very high | 112 Ų | 112 | 39.1 Ų | 39.1 | 73% | 0.727 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -64.8 | 123.2 | -171.6 | -21.3 | 32.1 | 0 | 0 | 0 | 113.8 | A181 | P161-A181 HydrophobicContact CG-CB 4.29Š|
| 162 | G | 83.8 | Confident | 91.9 | Very high | 23 Ų | 23 | 41 Ų | 41 | 24% | 0.237 | 26% | 0.255 | C | S | . | . | S | Bend | trans | 87 | 178.2 | -171.8 | 0 | 0 | 0 | 0 | 0 | 112 | G160 T164 E182 | G160-G162 PolarHBondContact O-N 3.16Å; G162-T164 PolarHBondContact O-N 3.15Å; G162-E182 VanDerWaalsContact CA-OE1 3.22Å; G162-E182 WeakPolarHBondContact CA-OE1 3.4Å; G162-E182 PolarHBondContact N-OE1 2.8Å |
| 163 | G | 91.8 | Very high | 91.9 | Very high | 26 Ų | 26 | 45.1 Ų | 45.1 | 27% | 0.268 | 27% | 0.269 | S | S | . | . | S | Bend | trans | 74.6 | -110.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | P50 R51 | P50-G163 CarbonylContact C-O 3.49Å; P50-G163 VanDerWaalsContact CA-O 3.23Å; P50-G163 WeakPolarHBondContact CA-O 3.47Å; R51-G163 PolarHBondContact N-O 2.85Å |
| 164 | T | 96.1 | Very high | 92 | Very high | 2 Ų | 2 | 43.6 Ų | 43.6 | 1% | 0.012 | 25% | 0.254 | C | S | . | . | B | Isolated β-bridge | trans | -91.5 | 106.7 | -173.2 | -51.8 | 0 | 0 | 0 | 0 | 111.1 | K4 Y5 G53 F158 D159 G162 | K4-T164 WeakPolarHBondContact CE-OG1 3.35Å; K4-T164 PolarHBondContact NZ-OG1 3.19Å; Y5-T164 PolarHBondContact OH-OG1 2.82Å; G53-T164 VanDerWaalsContact CA-CG2 3.42Å; F158-T164 HydrophobicContact CD1-CG2 4.12Å; F158-T164 HydrophobicContact CE1-CG2 4.2Å; D159-T164 WeakPolarHBondContact OD1-CB 3.37Å; D159-T164 PolarHBondContact OD1-N 3.16Å; D159-T164 PolarHBondContact OD1-OG1 3.36Å; D159-T164 PolarHBondContact OD2-OG1 3.35Å; G162-T164 PolarHBondContact O-N 3.15Å |
| 165 | L | 97.7 | Very high | 92.6 | Very high | 3 Ų | 3 | 40.8 Ų | 40.8 | 2% | 0.016 | 23% | 0.225 | C | C | . | . | trans | -78.7 | -37.2 | -173.4 | -58 | -173 | 0 | 0 | 0 | 113.8 | P50 R51 D179 E182 W184 H192 V197 Y222 | P50-L165 HydrophobicContact CB-CD1 4.21Å; P50-L165 HydrophobicContact CB-CD2 3.94Å; P50-L165 HydrophobicContact CB-CG 4.12Å; R51-L165 PolarHBondContact O-N 2.94Å; L165-D179 PolarHBondContact O-N 3.44Å; L165-E182 HydrophobicContact CD2-CG 4.06Å; L165-E182 WeakPolarHBondContact CD2-OE1 3.41Å; L165-W184 HydrophobicContact CB-CH2 4.38Å; L165-W184 WeakPolarHBondContact O-CZ2 3.22Å; L165-H192 HydrophobicContact CD1-CB 4.44Å; L165-H192 VanDerWaalsContact CD2-CE1 3.43Å; L165-H192 WeakPolarHBondContact CD2-CE1 3.41Å; L165-V197 HydrophobicContact CB-CG1 4.33Å; L165-V197 HydrophobicContact CD1-CG2 3.96Å; L165-Y222 HydrophobicContact CD1-CD1 4.41Å; L165-Y222 HydrophobicContact CD1-CD2 3.59Å; L165-Y222 HydrophobicContact CD1-CE2 4.44Å; L165-Y222 HydrophobicContact CD1-CG 3.58Å | ||
| 166 | A | 98.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -170 | 165.2 | -173.5 | 0 | 0 | 0 | 0 | 0 | 109 | G53 H177 F178 V197 E201 | G53-A166 PolarHBondContact N-O 3.16Å; A166-H177 CarbonylContact C-O 3.52Å; A166-H177 WeakPolarHBondContact CA-O 3.5Å; A166-H177 WeakPolarHBondContact CB-O 3.4Å; A166-F178 HydrophobicContact CB-CD1 3.7Å; A166-F178 HydrophobicContact CB-CE1 4.16Å; A166-F178 HydrophobicContact CB-CG 4.27Å; A166-V197 HydrophobicContact CB-CG1 3.5Å; A166-V197 VanDerWaalsContact CB-CG1 3.5Å; A166-E201 HydrophobicContact CB-CG 3.62Å |
| 167 | H | 98.1 | Very high | 93.4 | Very high | 4 Ų | 4 | 35.7 Ų | 35.7 | 2% | 0.019 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 164.5 | 165.2 | 57.4 | -106.5 | 0 | 0 | 0 | 110.4 | V54 H150 D152 N156 F158 F169 A176 H177 E201 | V54-H167 HydrophobicContact CG2-CB 4.02Å; H150-H167 AromaticContact CE1-CE1 3.53Å; H150-H167 AromaticContact NE2-CE1 3.22Å; H150-H167 PolarHBondContact NE2-CE1 2.92Å; H150-H167 AromaticContact NE2-NE2 3.41Å; H150-H167 PolarHBondContact NE2-NE2 2.87Å; D152-H167 IonicContact OD2-CD2 3.48Å; D152-H167 IonicContact OD2-CE1 3.13Å; D152-H167 IonicContact OD2-NE2 3.66Å; D152-H167 PolarHBondContact OD2-NE2 3.13Å; N156-H167 PolarHBondContact O-CE1 2.85Å; F158-H167 AromaticContact CE1-CE1 3.89Å; F158-H167 AromaticContact CE1-ND1 3.51Å; F158-H167 AromaticContact CZ-CE1 3.62Å; F158-H167 AromaticContact CZ-ND1 3.62Å; H167-F169 AromaticContact CD2-CE2 3.84Å; H167-F169 AromaticContact NE2-CE2 3.96Å; H167-A176 CarbonylContact O-C 3.48Å; H167-A176 WeakPolarHBondContact O-CA 3.38Å; H167-H177 PolarHBondContact N-O 3.09Å; H167-H177 AromaticContact NE2-CG 3.87Å; H167-H177 AromaticContact NE2-ND1 3.47Å; H167-H177 PolarHBondContact NE2-ND1 3.02Å; H167-H177 PolarHBondContact O-N 3Å; H167-E201 VanDerWaalsContact C-OE2 3.24Å; H167-E201 WeakPolarHBondContact CA-OE2 3.48Å |
| 168 | A | 97.6 | Very high | 93.6 | Very high | 9 Ų | 9 | 34.4 Ų | 34.4 | 7% | 0.074 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 154.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | V54 E175 A176 E201 H204 T205 | V54-A168 VanDerWaalsContact CG2-N 3.34Å; V54-A168 WeakPolarHBondContact CG2-O 3.33Å; A168-E175 CarbonylContact C-O 3.57Å; A168-E175 VanDerWaalsContact CA-O 3.23Å; A168-E175 WeakPolarHBondContact CA-O 3.25Å; A168-A176 HydrophobicContact CB-CB 3.94Å; A168-E201 HydrophobicContact CB-CB 4.08Å; A168-E201 WeakPolarHBondContact CB-O 3.31Å; A168-E201 WeakPolarHBondContact CB-OE2 3.34Å; A168-E201 PolarHBondContact N-OE2 2.79Å; A168-H204 HydrophobicContact CB-CB 3.64Å; A168-T205 HydrophobicContact CB-CG2 3.97Å |
| 169 | F | 95.6 | Very high | 93.7 | Very high | 37 Ų | 37 | 33.9 Ų | 33.9 | 16% | 0.162 | 18% | 0.178 | C | C | . | . | trans | -102.7 | 137.1 | 172.8 | -59.8 | -85.1 | 0 | 0 | 0 | 109.3 | D152 H167 R173 E175 H177 | D152-F169 HydrophobicContact CB-CE2 4.31Å; D152-F169 HydrophobicContact CB-CZ 3.93Å; D152-F169 WeakPolarHBondContact OD2-CE2 3.37Å; D152-F169 WeakPolarHBondContact OD2-CZ 3.21Å; H167-F169 AromaticContact CD2-CE2 3.84Å; H167-F169 AromaticContact NE2-CE2 3.96Å; F169-R173 HydrophobicContact CB-CB 3.75Å; F169-R173 HydrophobicContact CB-CG 3.9Å; F169-R173 VanDerWaalsContact CE2-CZ 3.49Å; F169-R173 HydrophobicContact CG-CB 4.46Å; F169-R173 HydrophobicContact CG-CG 4.16Å; F169-E175 HydrophobicContact CD2-CB 3.83Å; F169-E175 PolarHBondContact N-O 3.36Å; F169-H177 AromaticContact CE2-CE1 3.88Å; F169-H177 AromaticContact CE2-ND1 3.93Å | ||
| 170 | L | 93.3 | Very high | 93.8 | Very high | 45 Ų | 45 | 32 Ų | 32 | 24% | 0.236 | 17% | 0.167 | C | C | . | . | trans | -55.6 | 163.1 | 178.3 | -63.6 | -175.3 | 0 | 0 | 0 | 112 | E89 R172 R173 G174 H204 | E89-L170 HydrophobicContact CB-CB 4.3Å; E89-L170 HydrophobicContact CB-CD1 4.4Å; E89-L170 WeakPolarHBondContact OE2-CB 3.42Å; L170-R172 PolarHBondContact O-N 3.06Å; L170-R173 PolarHBondContact O-N 3.43Å; L170-G174 PolarHBondContact O-N 2.89Å; L170-G174 VanDerWaalsContact O-N 3.08Å; L170-H204 VanDerWaalsContact CD2-O 3.29Å; L170-H204 WeakPolarHBondContact CD2-O 3.11Å | ||
| 171 | P | 92.2 | Very high | 93.9 | Very high | 2 Ų | 2 | 32.9 Ų | 32.9 | 1% | 0.013 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -42.1 | -30.9 | -169.7 | -37.8 | 36.9 | 0 | 0 | 0 | 118.4 | E89 W91 R173 T205 | E89-P171 WeakPolarHBondContact O-CG 3.19Å; W91-P171 HydrophobicContact CD2-CB 3.78Å; W91-P171 HydrophobicContact CE3-CB 4.45Å; W91-P171 HydrophobicContact CG-CB 3.94Å; W91-P171 HydrophobicContact CG-CG 4.39Å; W91-P171 WeakPolarHBondContact CH2-O 3.21Å; W91-P171 HydrophobicContact CZ2-CB 4.1Å; W91-P171 WeakPolarHBondContact CZ2-O 3.37Å; W91-P171 VanDerWaalsContact CZ3-O 3.3Å; W91-P171 WeakPolarHBondContact CZ3-O 3.4Å; P171-R173 VanDerWaalsContact C-N 3.28Å; P171-R173 PolarHBondContact O-N 3.35Å; P171-T205 VanDerWaalsContact CG-O 3.27Å; P171-T205 WeakPolarHBondContact CG-O 3.31Å |
| 172 | R | 84.1 | Confident | 94.2 | Very high | 198 Ų | 198 | 27.9 Ų | 27.9 | 75% | 0.747 | 14% | 0.14 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -31.1 | -179.3 | -69.2 | -170.8 | 178.2 | 160.4 | -9.3 | 113.9 | E89 L170 | E89-R172 WeakPolarHBondContact OE1-CD 3.27Å; E89-R172 IonicContact OE1-CZ 3.8Å; E89-R172 IonicContact OE1-NE 2.72Å; E89-R172 PolarHBondContact OE1-NE 2.88Å; E89-R172 IonicContact OE1-NH1 2.82Å; E89-R172 PolarHBondContact OE1-NH1 3.46Å; L170-R172 PolarHBondContact O-N 3.06Å |
| 173 | R | 92.1 | Very high | 94.3 | Very high | 104 Ų | 104 | 29 Ų | 29 | 39% | 0.392 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | -37.5 | 176.4 | -177.7 | 170.8 | 170.7 | -171.7 | -2.4 | 111.2 | F169 L170 P171 E175 | F169-R173 HydrophobicContact CB-CB 3.75Å; F169-R173 HydrophobicContact CB-CG 3.9Å; F169-R173 VanDerWaalsContact CE2-CZ 3.49Å; F169-R173 HydrophobicContact CG-CB 4.46Å; F169-R173 HydrophobicContact CG-CG 4.16Å; L170-R173 PolarHBondContact O-N 3.43Å; P171-R173 VanDerWaalsContact C-N 3.28Å; P171-R173 PolarHBondContact O-N 3.35Å; R173-E175 HydrophobicContact CG-CB 4.37Å; R173-E175 HydrophobicContact CG-CG 4.19Å; R173-E175 IonicContact CZ-OE2 3.59Å; R173-E175 VanDerWaalsContact CZ-OE2 3.22Å; R173-E175 IonicContact NE-OE2 3.38Å; R173-E175 PolarHBondContact NE-OE2 2.77Å; R173-E175 IonicContact NH2-OE2 3.34Å; R173-E175 PolarHBondContact NH2-OE2 3.38Å; R173-E175 PolarHBondContact O-N 2.78Å |
| 174 | G | 92.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 12% | 0.124 | C | C | . | . | trans | 61.6 | 43.8 | 169.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | D140 I141 R142 L170 | D140-G174 WeakPolarHBondContact O-CA 3.49Å; I141-G174 CarbonylContact C-O 3.45Å; I141-G174 WeakPolarHBondContact CA-O 3.33Å; R142-G174 PolarHBondContact N-O 3.5Å; L170-G174 PolarHBondContact O-N 2.89Å; L170-G174 VanDerWaalsContact O-N 3.08Å | ||
| 175 | E | 96.4 | Very high | 93.8 | Very high | 33 Ų | 33 | 28.2 Ų | 28.2 | 15% | 0.154 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 140.3 | -178.8 | -75.5 | 174.9 | 179.1 | 0 | 0 | 109.2 | R142 A168 F169 R173 H177 | R142-E175 HydrophobicContact CB-CG 4.3Å; R142-E175 IonicContact NH1-OE1 3.58Å; R142-E175 CarbonylContact O-C 3.56Å; R142-E175 WeakPolarHBondContact O-CA 3.49Å; A168-E175 CarbonylContact C-O 3.57Å; A168-E175 VanDerWaalsContact CA-O 3.23Å; A168-E175 WeakPolarHBondContact CA-O 3.25Å; F169-E175 HydrophobicContact CD2-CB 3.83Å; F169-E175 PolarHBondContact N-O 3.36Å; R173-E175 HydrophobicContact CG-CB 4.37Å; R173-E175 HydrophobicContact CG-CG 4.19Å; R173-E175 IonicContact CZ-OE2 3.59Å; R173-E175 VanDerWaalsContact CZ-OE2 3.22Å; R173-E175 IonicContact NE-OE2 3.38Å; R173-E175 PolarHBondContact NE-OE2 2.77Å; R173-E175 IonicContact NH2-OE2 3.34Å; R173-E175 PolarHBondContact NH2-OE2 3.38Å; R173-E175 PolarHBondContact O-N 2.78Å; E175-H177 IonicContact OE2-CE1 2.76Å; E175-H177 IonicContact OE2-NE2 3.56Å |
| 176 | A | 98.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 125 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | R142 L143 A144 H167 A168 F178 E201 T205 | R142-A176 PolarHBondContact O-N 2.92Å; L143-A176 WeakPolarHBondContact CA-O 3.48Å; L143-A176 HydrophobicContact CD2-CB 3.69Å; A144-A176 PolarHBondContact N-O 2.83Å; H167-A176 CarbonylContact O-C 3.48Å; H167-A176 WeakPolarHBondContact O-CA 3.38Å; A168-A176 HydrophobicContact CB-CB 3.94Å; A176-F178 HydrophobicContact CB-CE2 4.07Å; A176-F178 HydrophobicContact CB-CZ 4.26Å; A176-E201 HydrophobicContact CB-CB 3.84Å; A176-T205 HydrophobicContact CB-CG2 4.16Å |
| 177 | H | 98.5 | Very high | 91.5 | Very high | 8 Ų | 8 | 28.8 Ų | 28.8 | 4% | 0.037 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 136.5 | -176.7 | -62.3 | 170.1 | 0 | 0 | 0 | 109.6 | A144 Y146 H150 D152 F158 A166 H167 F169 E175 | A144-H177 CarbonylContact O-C 3.47Å; A144-H177 VanDerWaalsContact O-CA 3.23Å; A144-H177 WeakPolarHBondContact O-CA 3.04Å; Y146-H177 HydrophobicContact CD2-CB 4.1Å; Y146-H177 AromaticContact CD2-CG 3.86Å; Y146-H177 HydrophobicContact CE2-CB 4.49Å; Y146-H177 AromaticContact CE2-CD2 3.62Å; Y146-H177 AromaticContact CE2-CE1 3.97Å; Y146-H177 AromaticContact CE2-CG 3.82Å; Y146-H177 AromaticContact CE2-NE2 3.73Å; H150-H177 AromaticContact CD2-ND1 3.38Å; H150-H177 PolarHBondContact CD2-ND1 2.92Å; H150-H177 AromaticContact NE2-CG 3.92Å; H150-H177 AromaticContact NE2-ND1 3.34Å; H150-H177 PolarHBondContact NE2-ND1 3.04Å; D152-H177 IonicContact OD2-CE1 3.98Å; D152-H177 PolarHBondContact OD2-CE1 3.15Å; D152-H177 VanDerWaalsContact OD2-CE1 3.29Å; D152-H177 IonicContact OD2-ND1 2.79Å; D152-H177 PolarHBondContact OD2-ND1 2.93Å; F158-H177 HydrophobicContact CE2-CB 4.2Å; F158-H177 HydrophobicContact CZ-CB 3.94Å; A166-H177 CarbonylContact C-O 3.52Å; A166-H177 WeakPolarHBondContact CA-O 3.5Å; A166-H177 WeakPolarHBondContact CB-O 3.4Å; H167-H177 PolarHBondContact N-O 3.09Å; H167-H177 AromaticContact NE2-CG 3.87Å; H167-H177 AromaticContact NE2-ND1 3.47Å; H167-H177 PolarHBondContact NE2-ND1 3.02Å; H167-H177 PolarHBondContact O-N 3Å; F169-H177 AromaticContact CE2-CE1 3.88Å; F169-H177 AromaticContact CE2-ND1 3.93Å; E175-H177 IonicContact OE2-CE1 2.76Å; E175-H177 IonicContact OE2-NE2 3.56Å |
| 178 | F | 98.6 | Very high | 89.7 | Confident | 1 Ų | 1 | 29.5 Ų | 29.5 | 0% | 0.004 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 138.2 | -178 | -60 | -92.4 | 0 | 0 | 0 | 109.5 | L143 A144 F145 Y146 A166 A176 M180 W184 L194 V197 T198 E201 | L143-F178 HydrophobicContact CB-CE2 4.12Å; L143-F178 HydrophobicContact CD2-CE2 4.23Å; A144-F178 WeakPolarHBondContact O-CD2 3.3Å; A144-F178 PolarHBondContact O-N 3.42Å; F145-F178 CarbonylContact C-O 3.52Å; F145-F178 VanDerWaalsContact CA-O 3.26Å; F145-F178 WeakPolarHBondContact CA-O 3.37Å; F145-F178 HydrophobicContact CD1-CB 3.38Å; F145-F178 HydrophobicContact CD1-CG 4.23Å; F145-F178 HydrophobicContact CD2-CB 4.5Å; F145-F178 HydrophobicContact CD2-CD2 4.45Å; F145-F178 HydrophobicContact CE1-CB 3.53Å; F145-F178 HydrophobicContact CE1-CD2 4.43Å; F145-F178 AromaticContact CE1-CG 3.96Å; F145-F178 HydrophobicContact CE1-CG 3.96Å; F145-F178 HydrophobicContact CE2-CD2 4.25Å; F145-F178 HydrophobicContact CG-CB 3.92Å; F145-F178 HydrophobicContact CZ-CB 4.19Å; F145-F178 HydrophobicContact CZ-CD2 4.24Å; F145-F178 HydrophobicContact CZ-CG 4.15Å; Y146-F178 PolarHBondContact N-O 2.96Å; A166-F178 HydrophobicContact CB-CD1 3.7Å; A166-F178 HydrophobicContact CB-CE1 4.16Å; A166-F178 HydrophobicContact CB-CG 4.27Å; A176-F178 HydrophobicContact CB-CE2 4.07Å; A176-F178 HydrophobicContact CB-CZ 4.26Å; F178-M180 PolarHBondContact O-N 3.37Å; F178-M180 VanDerWaalsContact O-N 3.16Å; F178-W184 HydrophobicContact CB-CH2 4.5Å; F178-W184 HydrophobicContact CB-CZ2 3.89Å; F178-W184 HydrophobicContact CD1-CH2 4.03Å; F178-W184 HydrophobicContact CD1-CZ2 4.25Å; F178-L194 HydrophobicContact CD1-CD1 4.49Å; F178-V197 HydrophobicContact CD1-CG1 4.12Å; F178-V197 HydrophobicContact CE1-CG1 4.05Å; F178-T198 WeakPolarHBondContact CE1-OG1 3.33Å; F178-T198 HydrophobicContact CZ-CG2 4.14Å; F178-E201 HydrophobicContact CE1-CB 4.46Å; F178-E201 HydrophobicContact CE1-CG 3.93Å; F178-E201 HydrophobicContact CZ-CB 4.27Å; F178-E201 HydrophobicContact CZ-CG 4.19Å |
| 179 | D | 97.6 | Very high | 87.9 | Confident | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 114.3 | 176.6 | -172.2 | -7.6 | 0 | 0 | 0 | 110.1 | F158 G160 L165 A181 E182 W184 | F158-D179 HydrophobicContact CB-CB 4.04Å; F158-D179 HydrophobicContact CD1-CB 3.67Å; F158-D179 HydrophobicContact CD2-CB 4.01Å; F158-D179 HydrophobicContact CE1-CB 4.12Å; F158-D179 HydrophobicContact CE2-CB 4.41Å; F158-D179 HydrophobicContact CG-CB 3.63Å; F158-D179 HydrophobicContact CZ-CB 4.48Å; G160-D179 WeakPolarHBondContact CA-OD2 3.48Å; G160-D179 PolarHBondContact N-OD2 2.97Å; G160-D179 VanDerWaalsContact O-OD2 3.06Å; L165-D179 PolarHBondContact O-N 3.44Å; D179-A181 PolarHBondContact O-N 3.22Å; D179-A181 VanDerWaalsContact OD1-CB 3.26Å; D179-A181 WeakPolarHBondContact OD1-CB 3.42Å; D179-A181 PolarHBondContact OD1-N 2.99Å; D179-E182 HydrophobicContact CB-CG 3.94Å; D179-E182 WeakPolarHBondContact O-CB 3.1Å; D179-E182 PolarHBondContact O-N 3.41Å; D179-W184 PolarHBondContact O-NE1 2.81Å |
| 180 | M | 94.7 | Very high | 86.7 | Confident | 47 Ų | 47 | 29.4 Ų | 29.4 | 23% | 0.232 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -23.5 | 179.1 | -176 | 78 | 81.8 | 0 | 0 | 112.3 | P104 F145 Y146 E147 F178 E182 | P104-M180 VanDerWaalsContact CA-SD 3.56Å; P104-M180 HydrophobicContact CB-SD 3.76Å; F145-M180 HydrophobicContact CB-CB 4.31Å; F145-M180 HydrophobicContact CB-CE 3.33Å; F145-M180 HydrophobicContact CB-SD 3.83Å; F145-M180 HydrophobicContact CG-CE 4.41Å; Y146-M180 VanDerWaalsContact O-CB 3.3Å; Y146-M180 WeakPolarHBondContact O-CB 3.48Å; Y146-M180 PolarHBondContact O-N 3.14Å; E147-M180 HydrophobicContact CG-CB 3.61Å; E147-M180 HydrophobicContact CG-CG 4.03Å; F178-M180 PolarHBondContact O-N 3.37Å; F178-M180 VanDerWaalsContact O-N 3.16Å; M180-E182 PolarHBondContact O-N 3.13Å |
| 181 | A | 88.6 | Confident | 86.2 | Confident | 35 Ų | 35 | 28.4 Ų | 28.4 | 29% | 0.289 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70 | -14.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | P161 D179 | P161-A181 HydrophobicContact CG-CB 4.29Å; D179-A181 PolarHBondContact O-N 3.22Å; D179-A181 VanDerWaalsContact OD1-CB 3.26Å; D179-A181 WeakPolarHBondContact OD1-CB 3.42Å; D179-A181 PolarHBondContact OD1-N 2.99Å |
| 182 | E | 91.8 | Very high | 86.1 | Confident | 8 Ų | 8 | 29.4 Ų | 29.4 | 4% | 0.037 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -71.7 | 147.4 | 179.9 | -74.5 | -67.4 | -178.3 | 0 | 0 | 113.9 | G162 L165 D179 M180 W184 H192 | G162-E182 VanDerWaalsContact CA-OE1 3.22Å; G162-E182 WeakPolarHBondContact CA-OE1 3.4Å; G162-E182 PolarHBondContact N-OE1 2.8Å; L165-E182 HydrophobicContact CD2-CG 4.06Å; L165-E182 WeakPolarHBondContact CD2-OE1 3.41Å; D179-E182 HydrophobicContact CB-CG 3.94Å; D179-E182 WeakPolarHBondContact O-CB 3.1Å; D179-E182 PolarHBondContact O-N 3.41Å; M180-E182 PolarHBondContact O-N 3.13Å; E182-W184 VanDerWaalsContact C-N 3.3Å; E182-W184 HydrophobicContact CB-CD2 4.29Å; E182-W184 HydrophobicContact CB-CZ2 3.87Å; E182-W184 HydrophobicContact CG-CZ2 4.27Å; E182-W184 VanDerWaalsContact O-CD1 3.31Å; E182-W184 PolarHBondContact O-N 2.89Å; E182-H192 IonicContact OE1-CE1 2.72Å; E182-H192 IonicContact OE1-ND1 2.77Å; E182-H192 IonicContact OE2-CE1 3.9Å; E182-H192 PolarHBondContact OE2-CE1 2.83Å; E182-H192 IonicContact OE2-ND1 2.73Å; E182-H192 PolarHBondContact OE2-ND1 3.23Å |
| 183 | R | 87.2 | Confident | 86.5 | Confident | 47 Ų | 47 | 20.3 Ų | 20.3 | 18% | 0.177 | 11% | 0.107 | C | C | . | . | trans | -79.4 | 81.7 | 171.4 | -173.1 | 176.9 | 169.2 | 163.9 | -3.5 | 110 | T185 G191 H192 F286 N440 | R183-T185 HydrophobicContact CG-CG2 4.42Å; R183-G191 CarbonylContact O-C 3.56Å; R183-G191 VanDerWaalsContact O-CA 3.25Å; R183-G191 WeakPolarHBondContact O-CA 3.48Å; R183-H192 PolarHBondContact O-N 3.13Å; R183-F286 PolarHBondContact NH2-O 3.01Å; R183-N440 PolarHBondContact NH1-OD1 3.34Å | ||
| 184 | W | 90.1 | Very high | 86.6 | Confident | 1 Ų | 1 | 15.4 Ų | 15.4 | 0% | 0.004 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 134.8 | 176.1 | -63.5 | 107.4 | 0 | 0 | 0 | 112.8 | P104 H106 L107 F145 L165 F178 D179 E182 H192 L194 V197 | P104-W184 HydrophobicContact CG-CB 4.39Å; P104-W184 HydrophobicContact CG-CG 4.44Å; H106-W184 PolarHBondContact NE2-O 3.2Å; H106-W184 VanDerWaalsContact NE2-O 3.14Å; L107-W184 HydrophobicContact CD1-CB 3.81Å; F145-W184 AromaticContact CD1-NE1 3.79Å; F145-W184 AromaticContact CE1-CD1 3.95Å; F145-W184 HydrophobicContact CE1-CD2 4.26Å; F145-W184 AromaticContact CE1-CE2 3.94Å; F145-W184 HydrophobicContact CE1-CG 4.27Å; F145-W184 AromaticContact CE1-NE1 3.7Å; L165-W184 HydrophobicContact CB-CH2 4.38Å; L165-W184 WeakPolarHBondContact O-CZ2 3.22Å; F178-W184 HydrophobicContact CB-CH2 4.5Å; F178-W184 HydrophobicContact CB-CZ2 3.89Å; F178-W184 HydrophobicContact CD1-CH2 4.03Å; F178-W184 HydrophobicContact CD1-CZ2 4.25Å; D179-W184 PolarHBondContact O-NE1 2.81Å; E182-W184 VanDerWaalsContact C-N 3.3Å; E182-W184 HydrophobicContact CB-CD2 4.29Å; E182-W184 HydrophobicContact CB-CZ2 3.87Å; E182-W184 HydrophobicContact CG-CZ2 4.27Å; E182-W184 VanDerWaalsContact O-CD1 3.31Å; E182-W184 PolarHBondContact O-N 2.89Å; W184-H192 HydrophobicContact CE3-CB 4.32Å; W184-H192 HydrophobicContact CZ3-CB 4.16Å; W184-L194 HydrophobicContact CD2-CD1 4.17Å; W184-L194 HydrophobicContact CE3-CB 4.05Å; W184-L194 HydrophobicContact CE3-CD1 3.81Å; W184-L194 HydrophobicContact CZ3-CD1 4.2Å; W184-V197 HydrophobicContact CH2-CB 4.04Å; W184-V197 HydrophobicContact CH2-CG1 3.93Å; W184-V197 HydrophobicContact CH2-CG2 4.09Å; W184-V197 HydrophobicContact CZ3-CB 3.78Å; W184-V197 HydrophobicContact CZ3-CG1 4.21Å; W184-V197 HydrophobicContact CZ3-CG2 3.71Å |
| 185 | T | 85.9 | Confident | 86.7 | Confident | 10 Ų | 10 | 15.4 Ų | 15.4 | 6% | 0.061 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 154.9 | 179.6 | 64.9 | 0 | 0 | 0 | 0 | 111.4 | R183 G188 K190 H192 N193 L194 | R183-T185 HydrophobicContact CG-CG2 4.42Å; T185-G188 PolarHBondContact OG1-N 2.92Å; T185-K190 VanDerWaalsContact CG2-O 3.3Å; T185-K190 WeakPolarHBondContact CG2-O 3.15Å; T185-H192 PolarHBondContact N-O 2.68Å; T185-H192 PolarHBondContact OG1-O 3.23Å; T185-N193 CarbonylContact O-C 3.58Å; T185-N193 VanDerWaalsContact O-CA 3.27Å; T185-N193 WeakPolarHBondContact O-CA 3.48Å; T185-L194 PolarHBondContact O-N 3.4Å |
| 186 | L | 79.1 | Confident | 86.6 | Confident | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 8% | 0.083 | C | C | . | . | S | Bend | trans | -91.3 | -36.7 | 172.5 | -71.3 | -176.1 | 0 | 0 | 0 | 113.5 | S111 A115 N193 E267 | S111-L186 VanDerWaalsContact CB-CD1 3.41Å; S111-L186 WeakPolarHBondContact OG-CD1 3.23Å; A115-L186 HydrophobicContact CB-CD2 3.54Å; L186-N193 PolarHBondContact O-ND2 3.17Å; L186-E267 HydrophobicContact CD1-CB 4.28Å |
| 187 | N | 69.4 | Low | 86.6 | Confident | 15 Ų | 15 | 14.5 Ų | 14.5 | 8% | 0.08 | 9% | 0.085 | C | C | . | . | S | Bend | trans | -134.5 | 0.2 | -179.2 | 64.7 | 17.4 | 0 | 0 | 0 | 112.6 | H189 H260 Q264 E267 | N187-H189 PolarHBondContact O-N 3.37Å; N187-H260 PolarHBondContact O-CE1 3.13Å; N187-Q264 HydrophobicContact CB-CB 4.11Å; N187-Q264 WeakPolarHBondContact ND2-CA 3.5Å; N187-E267 PolarHBondContact ND2-OE2 2.73Å; N187-E267 PolarHBondContact OD1-OE2 3.36Å |
| 188 | G | 59.2 | Low | 86.6 | Confident | 19 Ų | 19 | 14.2 Ų | 14.2 | 20% | 0.196 | 8% | 0.084 | C | C | . | . | trans | -58.9 | 136 | -170.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | T185 K190 | T185-G188 PolarHBondContact OG1-N 2.92Å; G188-K190 PolarHBondContact O-N 2.89Å | ||
| 189 | H | 61.6 | Low | 86.5 | Confident | 23 Ų | 23 | 14.1 Ų | 14.1 | 11% | 0.106 | 8% | 0.084 | C | C | . | . | S | Bend | trans | -75.6 | -20.2 | 175.8 | -71.1 | -21.1 | 0 | 0 | 0 | 112.5 | N187 K224 A330 E332 K347 | N187-H189 PolarHBondContact O-N 3.37Å; H189-K224 PolarHBondContact O-NZ 2.71Å; H189-A330 WeakPolarHBondContact CD2-CB 3.35Å; H189-A330 WeakPolarHBondContact NE2-CB 3.39Å; H189-A330 PolarHBondContact NE2-O 2.85Å; H189-E332 HydrophobicContact CB-CG 3.99Å; H189-K347 PolarHBondContact CD2-NZ 3.4Å; H189-K347 PolarHBondContact CE1-NZ 3.35Å; H189-K347 VanDerWaalsContact CE1-NZ 3.34Å; H189-K347 PolarHBondContact ND1-NZ 2.91Å; H189-K347 WeakPolarHBondContact NE2-CE 3.1Å; H189-K347 PolarHBondContact NE2-NZ 3.14Å |
| 190 | K | 69.3 | Low | 86.6 | Confident | 21 Ų | 21 | 14.7 Ų | 14.7 | 9% | 0.091 | 9% | 0.086 | C | C | . | . | S | Bend | trans | -113.1 | 141.5 | 176.7 | -62.4 | 179.3 | -177.3 | 173 | 0 | 109.7 | T185 G188 D287 E332 D377 N425 | T185-K190 VanDerWaalsContact CG2-O 3.3Å; T185-K190 WeakPolarHBondContact CG2-O 3.15Å; G188-K190 PolarHBondContact O-N 2.89Å; K190-D287 WeakPolarHBondContact CE-O 3.32Å; K190-D287 PolarHBondContact NZ-O 3.31Å; K190-E332 WeakPolarHBondContact CE-O 3.38Å; K190-E332 PolarHBondContact NZ-O 2.78Å; K190-D377 WeakPolarHBondContact CE-O 3.21Å; K190-D377 PolarHBondContact NZ-O 2.92Å; K190-N425 HydrophobicContact CD-CB 3.55Å; K190-N425 VanDerWaalsContact NZ-CA 3.32Å; K190-N425 VanDerWaalsContact NZ-CB 3.29Å; K190-N425 PolarHBondContact NZ-O 2.9Å |
| 191 | G | 83.7 | Confident | 86.8 | Confident | 24 Ų | 24 | 12.6 Ų | 12.6 | 25% | 0.247 | 8% | 0.076 | C | C | . | . | S | Bend | trans | 88.6 | -164.5 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | R183 | R183-G191 CarbonylContact O-C 3.56Å; R183-G191 VanDerWaalsContact O-CA 3.25Å; R183-G191 WeakPolarHBondContact O-CA 3.48Å |
| 192 | H | 89.7 | Confident | 87.2 | Confident | 22 Ų | 22 | 10.9 Ų | 10.9 | 10% | 0.102 | 6% | 0.062 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 137.4 | -176.1 | -60.6 | 106.4 | 0 | 0 | 0 | 110.3 | L165 E182 R183 W184 T185 L194 Y222 | L165-H192 HydrophobicContact CD1-CB 4.44Å; L165-H192 VanDerWaalsContact CD2-CE1 3.43Å; L165-H192 WeakPolarHBondContact CD2-CE1 3.41Å; E182-H192 IonicContact OE1-CE1 2.72Å; E182-H192 IonicContact OE1-ND1 2.77Å; E182-H192 IonicContact OE2-CE1 3.9Å; E182-H192 PolarHBondContact OE2-CE1 2.83Å; E182-H192 IonicContact OE2-ND1 2.73Å; E182-H192 PolarHBondContact OE2-ND1 3.23Å; R183-H192 PolarHBondContact O-N 3.13Å; W184-H192 HydrophobicContact CE3-CB 4.32Å; W184-H192 HydrophobicContact CZ3-CB 4.16Å; T185-H192 PolarHBondContact N-O 2.68Å; T185-H192 PolarHBondContact OG1-O 3.23Å; H192-L194 PolarHBondContact O-N 3.15Å; H192-Y222 AromaticContact CD2-CD1 3.61Å; H192-Y222 AromaticContact CD2-CE1 3.61Å |
| 193 | N | 91.9 | Very high | 87.5 | Confident | 7 Ų | 7 | 10.5 Ų | 10.5 | 4% | 0.037 | 6% | 0.06 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 113.1 | -178.7 | -174.6 | -81.4 | 0 | 0 | 0 | 109.7 | T185 L186 F195 M196 V197 Y222 | T185-N193 CarbonylContact O-C 3.58Å; T185-N193 VanDerWaalsContact O-CA 3.27Å; T185-N193 WeakPolarHBondContact O-CA 3.48Å; L186-N193 PolarHBondContact O-ND2 3.17Å; N193-F195 PolarHBondContact O-N 2.94Å; N193-F195 WeakPolarHBondContact OD1-CB 3.42Å; N193-F195 PolarHBondContact OD1-N 2.87Å; N193-M196 HydrophobicContact CB-CB 4.09Å; N193-M196 HydrophobicContact CB-CG 3.97Å; N193-M196 PolarHBondContact O-N 3.11Å; N193-M196 VanDerWaalsContact O-N 3.14Å; N193-M196 WeakPolarHBondContact OD1-CG 3.21Å; N193-M196 PolarHBondContact OD1-N 2.98Å; N193-V197 PolarHBondContact O-N 3.02Å; N193-Y222 VanDerWaalsContact CB-OH 3.26Å; N193-Y222 WeakPolarHBondContact CB-OH 3.44Å; N193-Y222 PolarHBondContact N-OH 2.72Å |
| 194 | L | 94.4 | Very high | 88 | Confident | 1 Ų | 1 | 8.3 Ų | 8.3 | 1% | 0.005 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -57.8 | -47.8 | -175.3 | 177.9 | 59.5 | 0 | 0 | 0 | 111.4 | L107 V112 A115 F145 F178 W184 T185 H192 M196 V197 T198 | L107-L194 HydrophobicContact CD1-CD2 3.93Å; V112-L194 HydrophobicContact CG1-CD2 4.32Å; V112-L194 HydrophobicContact CG2-CD2 4.23Å; A115-L194 HydrophobicContact CB-CD2 4.19Å; A115-L194 HydrophobicContact CB-CG 4.17Å; F145-L194 HydrophobicContact CE1-CD1 4Å; F145-L194 HydrophobicContact CZ-CD1 3.69Å; F145-L194 HydrophobicContact CZ-CD2 4.41Å; F178-L194 HydrophobicContact CD1-CD1 4.49Å; W184-L194 HydrophobicContact CD2-CD1 4.17Å; W184-L194 HydrophobicContact CE3-CB 4.05Å; W184-L194 HydrophobicContact CE3-CD1 3.81Å; W184-L194 HydrophobicContact CZ3-CD1 4.2Å; T185-L194 PolarHBondContact O-N 3.4Å; H192-L194 PolarHBondContact O-N 3.15Å; L194-M196 VanDerWaalsContact C-N 3.31Å; L194-M196 PolarHBondContact O-N 3.3Å; L194-V197 PolarHBondContact O-N 3.08Å; L194-T198 WeakPolarHBondContact CD1-OG1 3.14Å; L194-T198 WeakPolarHBondContact O-CB 3.47Å; L194-T198 PolarHBondContact O-N 3.22Å; L194-T198 PolarHBondContact O-OG1 3.13Å |
| 195 | F | 94.6 | Very high | 88.4 | Confident | 0 Ų | 0 | 8.2 Ų | 8.2 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -54.5 | -45.2 | 176.9 | 162.1 | -89 | 0 | 0 | 0 | 112.4 | A115 T118 A119 L122 N193 V197 A199 V230 L259 L263 | A115-F195 HydrophobicContact CB-CB 4.06Å; T118-F195 HydrophobicContact CG2-CD2 4.1Å; T118-F195 HydrophobicContact CG2-CE2 3.72Å; A119-F195 HydrophobicContact CB-CD2 4.08Å; A119-F195 HydrophobicContact CB-CE2 4.13Å; L122-F195 HydrophobicContact CD2-CZ 4.06Å; N193-F195 PolarHBondContact O-N 2.94Å; N193-F195 WeakPolarHBondContact OD1-CB 3.42Å; N193-F195 PolarHBondContact OD1-N 2.87Å; F195-V197 PolarHBondContact O-N 2.96Å; F195-A199 HydrophobicContact CE2-CB 4.42Å; F195-A199 HydrophobicContact CZ-CB 4.3Å; F195-A199 WeakPolarHBondContact O-CB 3.09Å; F195-A199 PolarHBondContact O-N 3.24Å; F195-V230 HydrophobicContact CE1-CG1 3.93Å; F195-V230 HydrophobicContact CE1-CG2 4.42Å; F195-V230 HydrophobicContact CZ-CG1 4.16Å; F195-L259 HydrophobicContact CD1-CD2 3.61Å; F195-L259 HydrophobicContact CD2-CD2 4.26Å; F195-L259 HydrophobicContact CE1-CD2 3.14Å; F195-L259 HydrophobicContact CE2-CD2 3.83Å; F195-L259 HydrophobicContact CG-CD2 4.17Å; F195-L259 HydrophobicContact CZ-CD2 3.25Å; F195-L263 HydrophobicContact CB-CD1 4.25Å; F195-L263 HydrophobicContact CG-CD1 4.48Å |
| 196 | M | 95.1 | Very high | 88.9 | Confident | 8 Ų | 8 | 7.8 Ų | 7.8 | 4% | 0.039 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -63.9 | -42.9 | -177.8 | -73.4 | -63 | -57.5 | 0 | 0 | 112.2 | N193 L194 H200 L217 Y222 L225 V230 | N193-M196 HydrophobicContact CB-CB 4.09Å; N193-M196 HydrophobicContact CB-CG 3.97Å; N193-M196 PolarHBondContact O-N 3.11Å; N193-M196 VanDerWaalsContact O-N 3.14Å; N193-M196 WeakPolarHBondContact OD1-CG 3.21Å; N193-M196 PolarHBondContact OD1-N 2.98Å; L194-M196 VanDerWaalsContact C-N 3.31Å; L194-M196 PolarHBondContact O-N 3.3Å; M196-H200 PolarHBondContact O-N 3.23Å; M196-L217 HydrophobicContact CE-CD1 3.74Å; M196-Y222 HydrophobicContact CB-CE2 4.16Å; M196-L225 HydrophobicContact CG-CB 3.86Å; M196-L225 HydrophobicContact SD-CB 4.04Å; M196-L225 HydrophobicContact SD-CD1 3.71Å; M196-L225 HydrophobicContact SD-CG 4.45Å; M196-V230 HydrophobicContact SD-CG1 4.15Å |
| 197 | V | 97.5 | Very high | 89.7 | Confident | 7 Ų | 7 | 8.3 Ų | 8.3 | 4% | 0.042 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -72.3 | -47.3 | 179.3 | -176.3 | 0 | 0 | 0 | 0 | 109.8 | L165 A166 F178 W184 N193 L194 F195 A199 H200 E201 Y222 | L165-V197 HydrophobicContact CB-CG1 4.33Å; L165-V197 HydrophobicContact CD1-CG2 3.96Å; A166-V197 HydrophobicContact CB-CG1 3.5Å; A166-V197 VanDerWaalsContact CB-CG1 3.5Å; F178-V197 HydrophobicContact CD1-CG1 4.12Å; F178-V197 HydrophobicContact CE1-CG1 4.05Å; W184-V197 HydrophobicContact CH2-CB 4.04Å; W184-V197 HydrophobicContact CH2-CG1 3.93Å; W184-V197 HydrophobicContact CH2-CG2 4.09Å; W184-V197 HydrophobicContact CZ3-CB 3.78Å; W184-V197 HydrophobicContact CZ3-CG1 4.21Å; W184-V197 HydrophobicContact CZ3-CG2 3.71Å; N193-V197 PolarHBondContact O-N 3.02Å; L194-V197 PolarHBondContact O-N 3.08Å; F195-V197 PolarHBondContact O-N 2.96Å; V197-A199 VanDerWaalsContact C-N 3.29Å; V197-A199 PolarHBondContact O-N 3.02Å; V197-H200 WeakPolarHBondContact O-CA 2.91Å; V197-H200 WeakPolarHBondContact O-CB 3.22Å; V197-H200 PolarHBondContact O-N 2.91Å; V197-E201 HydrophobicContact CG1-CG 4.13Å; V197-E201 WeakPolarHBondContact O-CG 3.47Å; V197-E201 PolarHBondContact O-N 3.31Å; V197-Y222 HydrophobicContact CG2-CD2 3.84Å; V197-Y222 HydrophobicContact CG2-CE2 3.81Å |
| 198 | T | 98.1 | Very high | 90.9 | Very high | 1 Ų | 1 | 7.8 Ų | 7.8 | 1% | 0.006 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -57.1 | -40.8 | 176.3 | -56.7 | 0 | 0 | 0 | 0 | 112.5 | V116 A119 L143 F178 L194 H200 E201 I202 | V116-T198 HydrophobicContact CG2-CG2 4.19Å; A119-T198 HydrophobicContact CB-CG2 3.94Å; L143-T198 HydrophobicContact CD1-CG2 4.15Å; F178-T198 WeakPolarHBondContact CE1-OG1 3.33Å; F178-T198 HydrophobicContact CZ-CG2 4.14Å; L194-T198 WeakPolarHBondContact CD1-OG1 3.14Å; L194-T198 WeakPolarHBondContact O-CB 3.47Å; L194-T198 PolarHBondContact O-N 3.22Å; L194-T198 PolarHBondContact O-OG1 3.13Å; T198-H200 VanDerWaalsContact C-N 3.33Å; T198-H200 PolarHBondContact O-N 2.93Å; T198-E201 PolarHBondContact O-N 3.47Å; T198-I202 HydrophobicContact CG2-CD1 3.74Å; T198-I202 HydrophobicContact CG2-CG1 4.33Å; T198-I202 WeakPolarHBondContact O-CB 3.46Å; T198-I202 WeakPolarHBondContact O-CD1 3.26Å; T198-I202 WeakPolarHBondContact O-CG1 3.36Å; T198-I202 PolarHBondContact O-N 3.42Å |
| 199 | A | 97.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 9.1 Ų | 9.1 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -65.8 | -35.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | A119 L122 W123 F195 V197 G203 L217 | A119-A199 HydrophobicContact CB-CB 3.84Å; L122-A199 HydrophobicContact CD2-CB 3.94Å; W123-A199 WeakPolarHBondContact CZ2-O 3.32Å; W123-A199 PolarHBondContact NE1-O 3.38Å; F195-A199 HydrophobicContact CE2-CB 4.42Å; F195-A199 HydrophobicContact CZ-CB 4.3Å; F195-A199 WeakPolarHBondContact O-CB 3.09Å; F195-A199 PolarHBondContact O-N 3.24Å; V197-A199 VanDerWaalsContact C-N 3.29Å; V197-A199 PolarHBondContact O-N 3.02Å; A199-G203 PolarHBondContact O-N 2.62Å; A199-L217 HydrophobicContact CB-CD1 4.46Å; A199-L217 HydrophobicContact CB-CD2 3.71Å |
| 200 | H | 98.4 | Very high | 94.3 | Very high | 13 Ų | 13 | 8.1 Ų | 8.1 | 6% | 0.06 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -66 | -52.3 | 173.3 | -179.8 | 105 | 0 | 0 | 0 | 111.1 | C52 M196 V197 T198 I202 G203 H204 H210 L217 S219 | C52-H200 WeakPolarHBondContact CB-NE2 3.3Å; M196-H200 PolarHBondContact O-N 3.23Å; V197-H200 WeakPolarHBondContact O-CA 2.91Å; V197-H200 WeakPolarHBondContact O-CB 3.22Å; V197-H200 PolarHBondContact O-N 2.91Å; T198-H200 VanDerWaalsContact C-N 3.33Å; T198-H200 PolarHBondContact O-N 2.93Å; H200-I202 VanDerWaalsContact C-N 3.3Å; H200-I202 PolarHBondContact O-N 3.03Å; H200-G203 WeakPolarHBondContact O-CA 3.46Å; H200-G203 PolarHBondContact O-N 3.25Å; H200-H204 AromaticContact CD2-CD2 3.75Å; H200-H204 AromaticContact CD2-NE2 3.66Å; H200-H204 AromaticContact NE2-CD2 3.76Å; H200-H204 AromaticContact NE2-NE2 3.15Å; H200-H204 PolarHBondContact NE2-NE2 3.17Å; H200-H204 VanDerWaalsContact NE2-NE2 3.15Å; H200-H204 PolarHBondContact O-N 3.25Å; H200-H210 AromaticContact CE1-CD2 3.67Å; H200-H210 AromaticContact CE1-NE2 3.75Å; H200-H210 AromaticContact NE2-CD2 3.61Å; H200-H210 AromaticContact NE2-NE2 3.31Å; H200-H210 PolarHBondContact NE2-NE2 3.06Å; H200-L217 HydrophobicContact CB-CD1 4.32Å; H200-L217 HydrophobicContact CB-CG 4.37Å; H200-L217 PolarHBondContact ND1-O 2.73Å; H200-S219 PolarHBondContact CE1-O 2.71Å; H200-S219 VanDerWaalsContact CE1-O 3.22Å |
| 201 | E | 98.5 | Very high | 95.5 | Very high | 2 Ų | 2 | 7.2 Ų | 7.2 | 1% | 0.009 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -62.2 | -36.2 | -179.2 | -59.7 | -41.7 | 134.6 | 0 | 0 | 112.4 | C52 A166 H167 A168 A176 F178 V197 T198 G203 H204 T205 | C52-E201 PolarHBondContact SG-OE1 2.94Å; C52-E201 PolarHBondContact SG-OE2 3.25Å; C52-E201 VanDerWaalsContact SG-OE2 3.39Å; A166-E201 HydrophobicContact CB-CG 3.62Å; H167-E201 VanDerWaalsContact C-OE2 3.24Å; H167-E201 WeakPolarHBondContact CA-OE2 3.48Å; A168-E201 HydrophobicContact CB-CB 4.08Å; A168-E201 WeakPolarHBondContact CB-O 3.31Å; A168-E201 WeakPolarHBondContact CB-OE2 3.34Å; A168-E201 PolarHBondContact N-OE2 2.79Å; A176-E201 HydrophobicContact CB-CB 3.84Å; F178-E201 HydrophobicContact CE1-CB 4.46Å; F178-E201 HydrophobicContact CE1-CG 3.93Å; F178-E201 HydrophobicContact CZ-CB 4.27Å; F178-E201 HydrophobicContact CZ-CG 4.19Å; V197-E201 HydrophobicContact CG1-CG 4.13Å; V197-E201 WeakPolarHBondContact O-CG 3.47Å; V197-E201 PolarHBondContact O-N 3.31Å; T198-E201 PolarHBondContact O-N 3.47Å; E201-G203 PolarHBondContact O-N 3.07Å; E201-H204 WeakPolarHBondContact O-CB 3.32Å; E201-H204 PolarHBondContact O-N 2.85Å; E201-H204 VanDerWaalsContact O-N 3.11Å; E201-H204 IonicContact OE2-CD2 2.75Å; E201-T205 WeakPolarHBondContact O-CG2 2.93Å; E201-T205 PolarHBondContact O-N 3.15Å |
| 202 | I | 98.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 6.1 Ų | 6.1 | 0% | 0 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -61.7 | -34 | 171.7 | -70.1 | 165.2 | 0 | 0 | 0 | 111 | A119 F120 W123 T198 H200 H204 T205 L206 | A119-I202 HydrophobicContact CB-CD1 3.74Å; F120-I202 HydrophobicContact CD1-CD1 3.85Å; F120-I202 HydrophobicContact CD1-CG1 4.39Å; F120-I202 HydrophobicContact CD1-CG2 3.88Å; F120-I202 HydrophobicContact CD2-CD1 3.76Å; F120-I202 HydrophobicContact CE1-CB 4.48Å; F120-I202 HydrophobicContact CE1-CD1 3.73Å; F120-I202 HydrophobicContact CE1-CG1 3.88Å; F120-I202 HydrophobicContact CE1-CG2 3.72Å; F120-I202 HydrophobicContact CE2-CD1 3.62Å; F120-I202 HydrophobicContact CE2-CG1 4.32Å; F120-I202 HydrophobicContact CG-CD1 3.87Å; F120-I202 HydrophobicContact CZ-CD1 3.61Å; F120-I202 HydrophobicContact CZ-CG1 3.83Å; W123-I202 HydrophobicContact CG-CG2 4.34Å; T198-I202 HydrophobicContact CG2-CD1 3.74Å; T198-I202 HydrophobicContact CG2-CG1 4.33Å; T198-I202 WeakPolarHBondContact O-CB 3.46Å; T198-I202 WeakPolarHBondContact O-CD1 3.26Å; T198-I202 WeakPolarHBondContact O-CG1 3.36Å; T198-I202 PolarHBondContact O-N 3.42Å; H200-I202 VanDerWaalsContact C-N 3.3Å; H200-I202 PolarHBondContact O-N 3.03Å; I202-H204 VanDerWaalsContact C-N 3.28Å; I202-H204 PolarHBondContact O-N 3.46Å; I202-T205 WeakPolarHBondContact CA-OG1 3.12Å; I202-T205 PolarHBondContact O-N 3.2Å; I202-T205 PolarHBondContact O-OG1 3.33Å; I202-L206 HydrophobicContact CG2-CD1 4.08Å; I202-L206 HydrophobicContact CG2-CG 4.23Å; I202-L206 WeakPolarHBondContact O-CG 3.21Å; I202-L206 PolarHBondContact O-N 3.25Å |
| 203 | G | 98.1 | Very high | 96 | Very high | 0 Ų | 0 | 6.7 Ų | 6.7 | 0% | 0 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -57.6 | -42.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | A199 H200 E201 L206 G207 L208 | A199-G203 PolarHBondContact O-N 2.62Å; H200-G203 WeakPolarHBondContact O-CA 3.46Å; H200-G203 PolarHBondContact O-N 3.25Å; E201-G203 PolarHBondContact O-N 3.07Å; G203-L206 CarbonylContact O-C 3.56Å; G203-L206 WeakPolarHBondContact O-CB 3.47Å; G203-L206 PolarHBondContact O-N 3.09Å; G203-G207 PolarHBondContact O-N 2.86Å; G203-L208 VanDerWaalsContact O-CB 3.23Å; G203-L208 WeakPolarHBondContact O-CB 3.26Å; G203-L208 WeakPolarHBondContact O-CG 2.98Å; G203-L208 PolarHBondContact O-N 3.23Å |
| 204 | H | 97.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -65.1 | -44.5 | 173.5 | -70.9 | -53.5 | 0 | 0 | 0 | 112.6 | A168 L170 H200 E201 I202 L206 G207 L208 H210 | A168-H204 HydrophobicContact CB-CB 3.64Å; L170-H204 VanDerWaalsContact CD2-O 3.29Å; L170-H204 WeakPolarHBondContact CD2-O 3.11Å; H200-H204 AromaticContact CD2-CD2 3.75Å; H200-H204 AromaticContact CD2-NE2 3.66Å; H200-H204 AromaticContact NE2-CD2 3.76Å; H200-H204 AromaticContact NE2-NE2 3.15Å; H200-H204 PolarHBondContact NE2-NE2 3.17Å; H200-H204 VanDerWaalsContact NE2-NE2 3.15Å; H200-H204 PolarHBondContact O-N 3.25Å; E201-H204 WeakPolarHBondContact O-CB 3.32Å; E201-H204 PolarHBondContact O-N 2.85Å; E201-H204 VanDerWaalsContact O-N 3.11Å; E201-H204 IonicContact OE2-CD2 2.75Å; I202-H204 VanDerWaalsContact C-N 3.28Å; I202-H204 PolarHBondContact O-N 3.46Å; H204-L206 PolarHBondContact O-N 2.88Å; H204-G207 PolarHBondContact O-N 3.07Å; H204-L208 PolarHBondContact ND1-O 2.55Å; H204-H210 AromaticContact CE1-CD2 3.54Å; H204-H210 AromaticContact CE1-NE2 3.69Å; H204-H210 AromaticContact NE2-CD2 3.51Å; H204-H210 AromaticContact NE2-NE2 3.28Å; H204-H210 PolarHBondContact NE2-NE2 3.46Å |
| 205 | T | 97.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -64.6 | -12.1 | 175.7 | 71.3 | 0 | 0 | 0 | 0 | 112.9 | W91 I141 A168 P171 A176 E201 I202 | W91-T205 PolarHBondContact NE1-O 3.35Å; I141-T205 HydrophobicContact CG2-CG2 4.1Å; A168-T205 HydrophobicContact CB-CG2 3.97Å; P171-T205 VanDerWaalsContact CG-O 3.27Å; P171-T205 WeakPolarHBondContact CG-O 3.31Å; A176-T205 HydrophobicContact CB-CG2 4.16Å; E201-T205 WeakPolarHBondContact O-CG2 2.93Å; E201-T205 PolarHBondContact O-N 3.15Å; I202-T205 WeakPolarHBondContact CA-OG1 3.12Å; I202-T205 PolarHBondContact O-N 3.2Å; I202-T205 PolarHBondContact O-OG1 3.33Å |
| 206 | L | 97.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 10% | 0.095 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | -3.3 | 170.7 | -65.4 | 178.8 | 0 | 0 | 0 | 114 | L96 W123 L129 F131 I141 I202 G203 H204 V239 L242 Y243 | L96-L206 HydrophobicContact CD1-CD2 3.74Å; W123-L206 HydrophobicContact CB-CD1 3.92Å; W123-L206 HydrophobicContact CD2-CD1 4.17Å; W123-L206 HydrophobicContact CG-CD1 3.84Å; L129-L206 HydrophobicContact CD1-CD1 3.97Å; L129-L206 HydrophobicContact CD1-CD2 3.6Å; L129-L206 HydrophobicContact CD1-CG 4.35Å; F131-L206 HydrophobicContact CE1-CD2 3.97Å; F131-L206 HydrophobicContact CZ-CD1 4.07Å; F131-L206 HydrophobicContact CZ-CD2 3.91Å; I141-L206 HydrophobicContact CD1-CD2 4.48Å; I202-L206 HydrophobicContact CG2-CD1 4.08Å; I202-L206 HydrophobicContact CG2-CG 4.23Å; I202-L206 WeakPolarHBondContact O-CG 3.21Å; I202-L206 PolarHBondContact O-N 3.25Å; G203-L206 CarbonylContact O-C 3.56Å; G203-L206 WeakPolarHBondContact O-CB 3.47Å; G203-L206 PolarHBondContact O-N 3.09Å; H204-L206 PolarHBondContact O-N 2.88Å; L206-V239 HydrophobicContact CD1-CG2 4.43Å; L206-L242 WeakPolarHBondContact O-CD1 3.19Å; L206-Y243 HydrophobicContact CB-CE2 4.08Å; L206-Y243 VanDerWaalsContact O-CE2 3.23Å; L206-Y243 WeakPolarHBondContact O-CE2 3.31Å; L206-Y243 VanDerWaalsContact O-CZ 3.32Å; L206-Y243 PolarHBondContact O-OH 2.82Å |
| 207 | G | 95.1 | Very high | 95.6 | Very high | 11 Ų | 11 | 21 Ų | 21 | 11% | 0.113 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 95.2 | 15.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | E89 G203 H204 | E89-G207 VanDerWaalsContact O-CA 3.27Å; E89-G207 WeakPolarHBondContact O-CA 3.13Å; G203-G207 PolarHBondContact O-N 2.86Å; H204-G207 PolarHBondContact O-N 3.07Å |
| 208 | L | 95.5 | Very high | 95.6 | Very high | 5 Ų | 5 | 20.9 Ų | 20.9 | 3% | 0.026 | 10% | 0.095 | C | C | . | . | P | Polyproline II helix | trans | -86.6 | 134.8 | 175.3 | -54 | -176.6 | 0 | 0 | 0 | 110.6 | W123 G203 H204 M218 A238 V239 L242 | W123-L208 HydrophobicContact CE3-CD1 4.4Å; W123-L208 HydrophobicContact CH2-CD1 3.38Å; W123-L208 HydrophobicContact CZ2-CD1 4.13Å; W123-L208 HydrophobicContact CZ3-CD1 3.55Å; G203-L208 VanDerWaalsContact O-CB 3.23Å; G203-L208 WeakPolarHBondContact O-CB 3.26Å; G203-L208 WeakPolarHBondContact O-CG 2.98Å; G203-L208 PolarHBondContact O-N 3.23Å; H204-L208 PolarHBondContact ND1-O 2.55Å; L208-M218 HydrophobicContact CB-CE 4.03Å; L208-M218 HydrophobicContact CB-CG 4.22Å; L208-M218 HydrophobicContact CB-SD 4.4Å; L208-M218 HydrophobicContact CD1-CG 4.06Å; L208-M218 HydrophobicContact CD1-SD 4.37Å; L208-A238 HydrophobicContact CD2-CB 3.76Å; L208-V239 HydrophobicContact CD1-CB 4.22Å; L208-V239 HydrophobicContact CD2-CB 4.37Å; L208-L242 HydrophobicContact CD2-CD1 3.79Å |
| 209 | E | 94.4 | Very high | 95.5 | Very high | 47 Ų | 47 | 21.5 Ų | 21.5 | 22% | 0.22 | 10% | 0.099 | C | C | . | . | P | Polyproline II helix | trans | -90.8 | 168.9 | 171.9 | -59.9 | -60 | 167.9 | 0 | 0 | 111.9 | V62 | V62-E209 HydrophobicContact CB-CG 4.47Å; V62-E209 HydrophobicContact CG1-CB 4.48Å; V62-E209 HydrophobicContact CG1-CG 4.25Å; V62-E209 HydrophobicContact CG2-CG 4.28Å |
| 210 | H | 96 | Very high | 95.4 | Very high | 2 Ų | 2 | 21.7 Ų | 21.7 | 1% | 0.009 | 10% | 0.1 | C | C | . | . | P | Polyproline II helix | trans | -59.6 | 140.4 | 175.4 | -75.6 | 146.2 | 0 | 0 | 0 | 112.4 | C52 V54 D56 H200 H204 M218 | C52-H210 WeakPolarHBondContact CB-NE2 3.37Å; V54-H210 PolarHBondContact O-CE1 2.88Å; D56-H210 IonicContact OD1-CE1 3.65Å; D56-H210 IonicContact OD1-CG 2.69Å; D56-H210 IonicContact OD1-ND1 3.64Å; D56-H210 PolarHBondContact OD1-ND1 3.1Å; H200-H210 AromaticContact CE1-CD2 3.67Å; H200-H210 AromaticContact CE1-NE2 3.75Å; H200-H210 AromaticContact NE2-CD2 3.61Å; H200-H210 AromaticContact NE2-NE2 3.31Å; H200-H210 PolarHBondContact NE2-NE2 3.06Å; H204-H210 AromaticContact CE1-CD2 3.54Å; H204-H210 AromaticContact CE1-NE2 3.69Å; H204-H210 AromaticContact NE2-CD2 3.51Å; H204-H210 AromaticContact NE2-NE2 3.28Å; H204-H210 PolarHBondContact NE2-NE2 3.46Å; H210-M218 CarbonylContact C-O 3.39Å; H210-M218 VanDerWaalsContact CA-O 3.28Å; H210-M218 WeakPolarHBondContact CA-O 3.42Å |
| 211 | S | 94.9 | Very high | 95.3 | Very high | 1 Ų | 1 | 22.1 Ų | 22.1 | 1% | 0.007 | 10% | 0.102 | C | C | . | . | P | Polyproline II helix | trans | -100.8 | 134.8 | 179.4 | 179.9 | 0 | 0 | 0 | 0 | 111.4 | V213 M218 D234 | S211-V213 PolarHBondContact O-N 2.79Å; S211-V213 WeakPolarHBondContact OG-CB 3.19Å; S211-V213 PolarHBondContact OG-N 3.49Å; S211-V213 VanDerWaalsContact OG-N 3.07Å; S211-M218 PolarHBondContact N-O 2.82Å; S211-D234 VanDerWaalsContact CB-OD2 3.27Å; S211-D234 WeakPolarHBondContact CB-OD2 3.25Å; S211-D234 PolarHBondContact OG-OD2 3.25Å |
| 212 | P | 92.4 | Very high | 95.1 | Very high | 2 Ų | 2 | 24.5 Ų | 24.5 | 1% | 0.013 | 11% | 0.111 | C | C | . | . | S | Bend | trans | -70.7 | -7.1 | 169 | 31.2 | -35.7 | 0 | 0 | 0 | 112.6 | W29 L30 R32 W63 R214 | W29-P212 HydrophobicContact CH2-CB 3.99Å; W29-P212 HydrophobicContact CH2-CG 3.8Å; W29-P212 HydrophobicContact CZ3-CB 3.89Å; W29-P212 HydrophobicContact CZ3-CG 4.09Å; L30-P212 HydrophobicContact CD1-CB 4.05Å; R32-P212 WeakPolarHBondContact CD-O 3.31Å; R32-P212 WeakPolarHBondContact CG-O 3.3Å; W63-P212 HydrophobicContact CB-CG 4.3Å; W63-P212 HydrophobicContact CD2-CG 3.6Å; W63-P212 HydrophobicContact CE3-CG 4.31Å; W63-P212 HydrophobicContact CG-CG 3.55Å; W63-P212 HydrophobicContact CZ2-CG 4.29Å; P212-R214 PolarHBondContact O-N 3.17Å; P212-R214 VanDerWaalsContact O-N 3.16Å |
| 213 | V | 91.9 | Very high | 94.6 | Very high | 33 Ų | 33 | 27.5 Ų | 27.5 | 20% | 0.2 | 12% | 0.122 | C | C | . | . | trans | -78 | 103.7 | -179.9 | 179.7 | 0 | 0 | 0 | 0 | 108.8 | S211 H215 A216 D234 | S211-V213 PolarHBondContact O-N 2.79Å; S211-V213 WeakPolarHBondContact OG-CB 3.19Å; S211-V213 PolarHBondContact OG-N 3.49Å; S211-V213 VanDerWaalsContact OG-N 3.07Å; V213-H215 WeakPolarHBondContact CG1-CE1 3.33Å; V213-H215 PolarHBondContact O-N 2.69Å; V213-A216 HydrophobicContact CB-CB 3.94Å; V213-A216 HydrophobicContact CG1-CB 4.24Å; V213-A216 WeakPolarHBondContact O-CB 3.49Å; V213-A216 PolarHBondContact O-N 2.8Å; V213-D234 HydrophobicContact CB-CB 4.44Å; V213-D234 HydrophobicContact CG2-CB 4.02Å | ||
| 214 | R | 88.4 | Confident | 94 | Very high | 211 Ų | 211 | 31.3 Ų | 31.3 | 80% | 0.796 | 14% | 0.139 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -45.8 | -25.8 | -176.8 | -173.2 | 178 | -178.7 | -139.9 | 2.2 | 116.8 | P212 | P212-R214 PolarHBondContact O-N 3.17Å; P212-R214 VanDerWaalsContact O-N 3.16Å |
| 215 | H | 88.3 | Confident | 93.3 | Very high | 94 Ų | 94 | 32.6 Ų | 32.6 | 44% | 0.435 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111.9 | 6.4 | -178 | 69.1 | -83.9 | 0 | 0 | 0 | 113.7 | V213 R223 | V213-H215 WeakPolarHBondContact CG1-CE1 3.33Å; V213-H215 PolarHBondContact O-N 2.69Å; H215-R223 VanDerWaalsContact O-CZ 3.23Å; H215-R223 PolarHBondContact O-NH1 3.06Å; H215-R223 PolarHBondContact O-NH2 3.28Å |
| 216 | A | 93.9 | Very high | 92.4 | Very high | 3 Ų | 3 | 34.5 Ų | 34.5 | 3% | 0.025 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -65 | 151.6 | 165.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | V213 M218 S219 S232 D235 | V213-A216 HydrophobicContact CB-CB 3.94Å; V213-A216 HydrophobicContact CG1-CB 4.24Å; V213-A216 WeakPolarHBondContact O-CB 3.49Å; V213-A216 PolarHBondContact O-N 2.8Å; A216-M218 VanDerWaalsContact C-N 3.29Å; A216-S219 WeakPolarHBondContact O-CB 3.42Å; A216-S219 PolarHBondContact O-N 3.22Å; A216-S232 WeakPolarHBondContact CA-OG 3.49Å; A216-S232 WeakPolarHBondContact CB-OG 3.22Å; A216-D235 VanDerWaalsContact CA-OD2 3.3Å; A216-D235 WeakPolarHBondContact CA-OD2 3.34Å; A216-D235 WeakPolarHBondContact CB-OD1 3.28Å |
| 217 | L | 96.3 | Very high | 91.4 | Very high | 9 Ų | 9 | 44.2 Ų | 44.2 | 5% | 0.047 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -41.7 | 170.1 | 179.5 | 62.8 | 0 | 0 | 0 | 109.3 | L122 W123 M196 A199 H200 S219 L231 D235 | L122-L217 HydrophobicContact CD2-CD2 3.77Å; W123-L217 HydrophobicContact CH2-CD2 4.42Å; W123-L217 HydrophobicContact CZ2-CD2 3.79Å; M196-L217 HydrophobicContact CE-CD1 3.74Å; A199-L217 HydrophobicContact CB-CD1 4.46Å; A199-L217 HydrophobicContact CB-CD2 3.71Å; H200-L217 HydrophobicContact CB-CD1 4.32Å; H200-L217 HydrophobicContact CB-CG 4.37Å; H200-L217 PolarHBondContact ND1-O 2.73Å; L217-S219 PolarHBondContact O-N 2.93Å; L217-S219 VanDerWaalsContact O-N 3.14Å; L217-L231 HydrophobicContact CB-CD2 3.94Å; L217-L231 HydrophobicContact CD2-CD2 3.52Å; L217-L231 HydrophobicContact CG-CD2 4.41Å; L217-D235 VanDerWaalsContact N-CG 3.33Å; L217-D235 PolarHBondContact N-OD1 3.19Å; L217-D235 PolarHBondContact N-OD2 3.14Å |
| 218 | M | 97.1 | Very high | 90.7 | Very high | 4 Ų | 4 | 52.7 Ų | 52.7 | 2% | 0.02 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | 11.1 | 177.9 | -60.1 | -50.3 | -60 | 0 | 0 | 114.4 | W123 L208 H210 S211 A216 D235 | W123-M218 HydrophobicContact CH2-CG 4.2Å; W123-M218 HydrophobicContact CH2-SD 4.18Å; W123-M218 HydrophobicContact CZ2-SD 4Å; L208-M218 HydrophobicContact CB-CE 4.03Å; L208-M218 HydrophobicContact CB-CG 4.22Å; L208-M218 HydrophobicContact CB-SD 4.4Å; L208-M218 HydrophobicContact CD1-CG 4.06Å; L208-M218 HydrophobicContact CD1-SD 4.37Å; H210-M218 CarbonylContact C-O 3.39Å; H210-M218 VanDerWaalsContact CA-O 3.28Å; H210-M218 WeakPolarHBondContact CA-O 3.42Å; S211-M218 PolarHBondContact N-O 2.82Å; A216-M218 VanDerWaalsContact C-N 3.29Å; M218-D235 WeakPolarHBondContact CG-OD1 3.38Å; M218-D235 PolarHBondContact N-OD1 2.88Å |
| 219 | S | 96.2 | Very high | 90.2 | Very high | 14 Ų | 14 | 55.5 Ų | 55.5 | 10% | 0.098 | 25% | 0.245 | C | C | . | . | trans | -66.9 | 135.9 | 168.2 | 165.4 | 0 | 0 | 0 | 0 | 109.1 | H200 A216 L217 Y221 | H200-S219 PolarHBondContact CE1-O 2.71Å; H200-S219 VanDerWaalsContact CE1-O 3.22Å; A216-S219 WeakPolarHBondContact O-CB 3.42Å; A216-S219 PolarHBondContact O-N 3.22Å; L217-S219 PolarHBondContact O-N 2.93Å; L217-S219 VanDerWaalsContact O-N 3.14Å; S219-Y221 VanDerWaalsContact C-N 3.25Å; S219-Y221 PolarHBondContact O-N 3.47Å | ||
| 220 | P | 96.8 | Very high | 90 | Very high | 4 Ų | 4 | 53.4 Ų | 53.4 | 3% | 0.026 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -61.5 | -34 | -171.4 | 19.2 | -30 | 0 | 0 | 0 | 113.2 | L30 R51 C52 | L30-P220 HydrophobicContact CD2-CG 4.35Å; R51-P220 CarbonylContact C-O 3.56Å; R51-P220 VanDerWaalsContact CA-O 3.26Å; R51-P220 WeakPolarHBondContact CA-O 3.25Å; R51-P220 WeakPolarHBondContact CB-O 3.23Å; R51-P220 VanDerWaalsContact NH2-CB 3.33Å; C52-P220 PolarHBondContact N-O 2.98Å |
| 221 | Y | 95.7 | Very high | 89.9 | Confident | 23 Ų | 23 | 53.6 Ų | 53.6 | 9% | 0.09 | 24% | 0.237 | C | C | . | . | B | Isolated β-bridge | trans | -81.7 | 137.3 | -177.6 | -72.4 | -78.7 | 0 | 0 | 0 | 113.6 | Y27 Q46 E49 R51 S219 R223 | Y27-Y221 HydrophobicContact CE2-CE2 4.49Å; Y27-Y221 VanDerWaalsContact CE2-OH 3.26Å; Y27-Y221 WeakPolarHBondContact CE2-OH 3.22Å; Y27-Y221 PolarHBondContact OH-OH 3Å; Q46-Y221 HydrophobicContact CG-CE1 4.35Å; Q46-Y221 HydrophobicContact CG-CE2 3.9Å; Q46-Y221 VanDerWaalsContact NE2-CD1 3.29Å; Q46-Y221 VanDerWaalsContact NE2-CE2 3.33Å; Q46-Y221 WeakPolarHBondContact O-CE1 3.43Å; Q46-Y221 PolarHBondContact O-OH 2.82Å; Q46-Y221 VanDerWaalsContact O-OH 3.13Å; E49-Y221 HydrophobicContact CB-CD1 3.83Å; E49-Y221 HydrophobicContact CB-CE1 4.05Å; R51-Y221 HydrophobicContact CB-CD1 3.8Å; R51-Y221 HydrophobicContact CB-CE1 4.02Å; R51-Y221 HydrophobicContact CB-CG 4.38Å; R51-Y221 HydrophobicContact CG-CE1 4.35Å; S219-Y221 VanDerWaalsContact C-N 3.25Å; S219-Y221 PolarHBondContact O-N 3.47Å; Y221-R223 PolarHBondContact O-N 2.8Å |
| 222 | Y | 93.6 | Very high | 89.8 | Confident | 51 Ų | 51 | 53.8 Ų | 53.8 | 20% | 0.2 | 24% | 0.238 | C | C | . | . | trans | -60.8 | 129.7 | -179 | 176.8 | -107 | 0 | 0 | 0 | 112.1 | P50 L165 H192 N193 M196 V197 K224 | P50-Y222 WeakPolarHBondContact O-CB 3.38Å; P50-Y222 PolarHBondContact O-N 2.89Å; L165-Y222 HydrophobicContact CD1-CD1 4.41Å; L165-Y222 HydrophobicContact CD1-CD2 3.59Å; L165-Y222 HydrophobicContact CD1-CE2 4.44Å; L165-Y222 HydrophobicContact CD1-CG 3.58Å; H192-Y222 AromaticContact CD2-CD1 3.61Å; H192-Y222 AromaticContact CD2-CE1 3.61Å; N193-Y222 VanDerWaalsContact CB-OH 3.26Å; N193-Y222 WeakPolarHBondContact CB-OH 3.44Å; N193-Y222 PolarHBondContact N-OH 2.72Å; M196-Y222 HydrophobicContact CB-CE2 4.16Å; V197-Y222 HydrophobicContact CG2-CD2 3.84Å; V197-Y222 HydrophobicContact CG2-CE2 3.81Å; Y222-K224 HydrophobicContact CE1-CG 3.65Å | ||
| 223 | R | 88.4 | Confident | 89.7 | Confident | 64 Ų | 64 | 61 Ų | 61 | 24% | 0.242 | 27% | 0.265 | C | S | . | . | trans | -120.5 | 128.1 | 173.8 | -175.3 | -178 | 64.3 | 161.7 | -2.8 | 110.1 | H215 Y221 V230 | H215-R223 VanDerWaalsContact O-CZ 3.23Å; H215-R223 PolarHBondContact O-NH1 3.06Å; H215-R223 PolarHBondContact O-NH2 3.28Å; Y221-R223 PolarHBondContact O-N 2.8Å; R223-V230 PolarHBondContact NH2-O 2.92Å | ||
| 224 | K | 85.3 | Confident | 89.7 | Confident | 79 Ų | 79 | 60.3 Ų | 60.3 | 34% | 0.343 | 26% | 0.26 | S | S | . | . | trans | -63.5 | 143.3 | 172.6 | -68.5 | -167.1 | 174.7 | -163.3 | 0 | 111.5 | H189 Y222 G226 | H189-K224 PolarHBondContact O-NZ 2.71Å; Y222-K224 HydrophobicContact CE1-CG 3.65Å; K224-G226 PolarHBondContact O-N 2.89Å; K224-G226 VanDerWaalsContact O-N 3.16Å | ||
| 225 | L | 83.6 | Confident | 90.1 | Very high | 27 Ų | 27 | 50.3 Ų | 50.3 | 14% | 0.141 | 22% | 0.223 | C | C | . | . | trans | -56.4 | 120.2 | 170.2 | -175.8 | 61.7 | 0 | 0 | 0 | 109.3 | M196 V230 L259 H260 L263 | M196-L225 HydrophobicContact CG-CB 3.86Å; M196-L225 HydrophobicContact SD-CB 4.04Å; M196-L225 HydrophobicContact SD-CD1 3.71Å; M196-L225 HydrophobicContact SD-CG 4.45Å; L225-V230 HydrophobicContact CD1-CG2 3.94Å; L225-L259 HydrophobicContact CD1-CD2 4.36Å; L225-L259 HydrophobicContact CD2-CD2 4.39Å; L225-L259 HydrophobicContact CD2-CG 4.34Å; L225-H260 HydrophobicContact CD2-CB 3.78Å; L225-H260 HydrophobicContact CG-CB 4.32Å; L225-L263 HydrophobicContact CD2-CD1 4.47Å | ||
| 226 | G | 78.6 | Confident | 90.4 | Very high | 40 Ų | 40 | 45.9 Ų | 45.9 | 41% | 0.412 | 20% | 0.202 | S | C | . | . | trans | -122.7 | -167.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112 | K224 R228 G256 Q257 | K224-G226 PolarHBondContact O-N 2.89Å; K224-G226 VanDerWaalsContact O-N 3.16Å; G226-R228 VanDerWaalsContact C-N 3.3Å; G226-R228 PolarHBondContact O-N 3.15Å; G226-G256 CarbonylContact O-C 3.51Å; G226-G256 WeakPolarHBondContact O-CA 3.29Å; G226-Q257 PolarHBondContact O-N 2.86Å | ||
| 227 | R | 76.4 | Confident | 90.2 | Very high | 204 Ų | 204 | 49.1 Ų | 49.1 | 77% | 0.77 | 22% | 0.218 | S | C | * | . | S | Bend | trans | -72.8 | -22.7 | 177.9 | -63.7 | -176.7 | 178.8 | -179.8 | -4 | 114.2 | Q257 | R227-Q257 HydrophobicContact CB-CB 4.39Å; R227-Q257 HydrophobicContact CG-CB 4.33Å |
| 228 | R | 80.3 | Confident | 90.1 | Very high | 190 Ų | 190 | 49.1 Ų | 49.1 | 72% | 0.717 | 22% | 0.22 | S | C | * | . | S | Bend | trans | -71 | 166.4 | -175.6 | -63.1 | -175.4 | -179.7 | -151.1 | -1 | 111 | G226 G256 | G226-R228 VanDerWaalsContact C-N 3.3Å; G226-R228 PolarHBondContact O-N 3.15Å; R228-G256 WeakPolarHBondContact O-CA 3.38Å; R228-G256 PolarHBondContact O-N 3.27Å |
| 229 | L | 84.9 | Confident | 90 | Very high | 63 Ų | 63 | 49 Ų | 49 | 33% | 0.33 | 22% | 0.219 | S | C | . | . | B | Isolated β-bridge | trans | -58.5 | 140.3 | 172 | -62.1 | 170.4 | 0 | 0 | 0 | 110 | R253 P255 | L229-R253 HydrophobicContact CD2-CB 4.05Å; L229-P255 HydrophobicContact CD2-CB 4.31Å; L229-P255 HydrophobicContact CD2-CG 4.17Å |
| 230 | V | 90.7 | Very high | 89.9 | Confident | 3 Ų | 3 | 49.7 Ų | 49.7 | 2% | 0.018 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -68.8 | -54.4 | -178.3 | -178.4 | 0 | 0 | 0 | 0 | 109.9 | L122 F195 M196 R223 L225 L254 L259 | L122-V230 HydrophobicContact CD1-CB 4.14Å; L122-V230 HydrophobicContact CD1-CG1 4.25Å; L122-V230 HydrophobicContact CD2-CB 4.42Å; L122-V230 HydrophobicContact CD2-CG1 3.66Å; F195-V230 HydrophobicContact CE1-CG1 3.93Å; F195-V230 HydrophobicContact CE1-CG2 4.42Å; F195-V230 HydrophobicContact CZ-CG1 4.16Å; M196-V230 HydrophobicContact SD-CG1 4.15Å; R223-V230 PolarHBondContact NH2-O 2.92Å; L225-V230 HydrophobicContact CD1-CG2 3.94Å; V230-L254 PolarHBondContact N-O 2.88Å; V230-L254 VanDerWaalsContact N-O 3.09Å; V230-L259 HydrophobicContact CG2-CD2 4.25Å |
| 231 | L | 93.8 | Very high | 89.6 | Confident | 7 Ų | 7 | 54 Ų | 54 | 4% | 0.037 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -84.8 | 128.3 | 172.4 | -62.8 | -178.4 | 0 | 0 | 0 | 111.7 | L122 W123 V126 L217 D235 I236 R253 | L122-L231 HydrophobicContact CD1-CD1 4.15Å; L122-L231 HydrophobicContact CD1-CG 3.9Å; L122-L231 HydrophobicContact CD2-CD1 4.39Å; L122-L231 HydrophobicContact CD2-CD2 3.73Å; L122-L231 HydrophobicContact CD2-CG 3.85Å; L122-L231 HydrophobicContact CG-CD1 3.83Å; L122-L231 HydrophobicContact CG-CD2 4.1Å; L122-L231 HydrophobicContact CG-CG 3.74Å; W123-L231 HydrophobicContact CE3-CD1 4.3Å; W123-L231 HydrophobicContact CE3-CD2 4.38Å; W123-L231 HydrophobicContact CH2-CD2 3.76Å; W123-L231 HydrophobicContact CZ2-CD2 4.11Å; W123-L231 HydrophobicContact CZ3-CD1 4.34Å; W123-L231 HydrophobicContact CZ3-CD2 3.9Å; V126-L231 HydrophobicContact CB-CD1 4.49Å; V126-L231 HydrophobicContact CG1-CD1 4.1Å; V126-L231 HydrophobicContact CG2-CD1 3.63Å; L217-L231 HydrophobicContact CB-CD2 3.94Å; L217-L231 HydrophobicContact CD2-CD2 3.52Å; L217-L231 HydrophobicContact CG-CD2 4.41Å; L231-D235 HydrophobicContact CB-CB 4.31Å; L231-D235 HydrophobicContact CD2-CB 3.89Å; L231-I236 HydrophobicContact CB-CD1 4.37Å; L231-I236 HydrophobicContact CB-CG1 4.08Å; L231-I236 HydrophobicContact CD1-CG1 4.25Å; L231-R253 PolarHBondContact O-NH2 3.36Å |
| 232 | S | 92.6 | Very high | 89.5 | Confident | 5 Ų | 5 | 54 Ų | 54 | 4% | 0.035 | 24% | 0.242 | C | C | . | . | trans | -75.9 | 172.8 | 166.5 | 77.1 | 0 | 0 | 0 | 0 | 111 | A216 D234 D235 I236 | A216-S232 WeakPolarHBondContact CA-OG 3.49Å; A216-S232 WeakPolarHBondContact CB-OG 3.22Å; S232-D234 VanDerWaalsContact C-N 3.27Å; S232-D234 PolarHBondContact O-N 3.09Å; S232-D234 PolarHBondContact OG-N 3.1Å; S232-D235 WeakPolarHBondContact CA-OD2 3.32Å; S232-D235 VanDerWaalsContact CB-OD2 3.25Å; S232-D235 WeakPolarHBondContact CB-OD2 3.45Å; S232-D235 PolarHBondContact N-OD2 3.14Å; S232-D235 PolarHBondContact OG-N 3.13Å; S232-D235 PolarHBondContact OG-OD2 3.38Å; S232-I236 WeakPolarHBondContact O-CG1 3.29Å; S232-I236 PolarHBondContact O-N 3.42Å | ||
| 233 | W | 90.1 | Very high | 89.5 | Confident | 153 Ų | 153 | 51.8 Ų | 51.8 | 58% | 0.58 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -65.8 | -32.1 | 172.8 | -76.9 | 116 | 0 | 0 | 0 | 112.7 | I236 L237 | W233-I236 HydrophobicContact CE3-CD1 4.45Å; W233-I236 PolarHBondContact O-N 2.95Å; W233-L237 WeakPolarHBondContact O-CB 3.34Å; W233-L237 VanDerWaalsContact O-CG 3.24Å; W233-L237 WeakPolarHBondContact O-CG 3.29Å; W233-L237 PolarHBondContact O-N 2.96Å |
| 234 | D | 92.6 | Very high | 89.7 | Confident | 19 Ų | 19 | 50.1 Ų | 50.1 | 10% | 0.102 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66 | -42.1 | 178.5 | -173.6 | 61.9 | 0 | 0 | 0 | 111.2 | W63 R66 S211 V213 S232 I236 L237 A238 | W63-D234 PolarHBondContact NE1-OD1 2.83Å; R66-D234 IonicContact CZ-OD1 3.86Å; R66-D234 IonicContact NE-OD1 2.77Å; R66-D234 PolarHBondContact NE-OD1 3.43Å; R66-D234 VanDerWaalsContact NH2-CG 3.3Å; R66-D234 IonicContact NH2-OD1 3.7Å; R66-D234 PolarHBondContact NH2-OD1 3.3Å; R66-D234 IonicContact NH2-OD2 2.79Å; R66-D234 PolarHBondContact NH2-OD2 3.03Å; S211-D234 VanDerWaalsContact CB-OD2 3.27Å; S211-D234 WeakPolarHBondContact CB-OD2 3.25Å; S211-D234 PolarHBondContact OG-OD2 3.25Å; V213-D234 HydrophobicContact CB-CB 4.44Å; V213-D234 HydrophobicContact CG2-CB 4.02Å; S232-D234 VanDerWaalsContact C-N 3.27Å; S232-D234 PolarHBondContact O-N 3.09Å; S232-D234 PolarHBondContact OG-N 3.1Å; D234-I236 PolarHBondContact O-N 3.49Å; D234-L237 PolarHBondContact O-N 3.34Å; D234-A238 WeakPolarHBondContact O-CB 3.26Å; D234-A238 PolarHBondContact O-N 3.02Å |
| 235 | D | 96.2 | Very high | 90 | Very high | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.9 | -46.1 | 176.3 | -52.7 | -67.4 | 0 | 0 | 0 | 111.5 | W123 A216 L217 M218 L231 S232 A238 V239 | W123-D235 HydrophobicContact CH2-CB 4.16Å; W123-D235 HydrophobicContact CZ3-CB 4.28Å; A216-D235 VanDerWaalsContact CA-OD2 3.3Å; A216-D235 WeakPolarHBondContact CA-OD2 3.34Å; A216-D235 WeakPolarHBondContact CB-OD1 3.28Å; L217-D235 VanDerWaalsContact N-CG 3.33Å; L217-D235 PolarHBondContact N-OD1 3.19Å; L217-D235 PolarHBondContact N-OD2 3.14Å; M218-D235 WeakPolarHBondContact CG-OD1 3.38Å; M218-D235 PolarHBondContact N-OD1 2.88Å; L231-D235 HydrophobicContact CB-CB 4.31Å; L231-D235 HydrophobicContact CD2-CB 3.89Å; S232-D235 WeakPolarHBondContact CA-OD2 3.32Å; S232-D235 VanDerWaalsContact CB-OD2 3.25Å; S232-D235 WeakPolarHBondContact CB-OD2 3.45Å; S232-D235 PolarHBondContact N-OD2 3.14Å; S232-D235 PolarHBondContact OG-N 3.13Å; S232-D235 PolarHBondContact OG-OD2 3.38Å; D235-A238 PolarHBondContact O-N 2.99Å; D235-V239 PolarHBondContact O-N 2.88Å; D235-V239 VanDerWaalsContact O-N 3.09Å |
| 236 | I | 94.3 | Very high | 90.2 | Very high | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.8 | -44.8 | -179.1 | -66.5 | 169.5 | 0 | 0 | 0 | 110.8 | V126 L231 S232 W233 D234 V239 Q240 R253 | V126-I236 HydrophobicContact CB-CG1 4.29Å; V126-I236 HydrophobicContact CB-CG2 4.34Å; V126-I236 HydrophobicContact CG1-CD1 4.34Å; V126-I236 HydrophobicContact CG1-CG1 4.13Å; V126-I236 HydrophobicContact CG2-CG1 4.44Å; L231-I236 HydrophobicContact CB-CD1 4.37Å; L231-I236 HydrophobicContact CB-CG1 4.08Å; L231-I236 HydrophobicContact CD1-CG1 4.25Å; S232-I236 WeakPolarHBondContact O-CG1 3.29Å; S232-I236 PolarHBondContact O-N 3.42Å; W233-I236 HydrophobicContact CE3-CD1 4.45Å; W233-I236 PolarHBondContact O-N 2.95Å; D234-I236 PolarHBondContact O-N 3.49Å; I236-V239 WeakPolarHBondContact O-CG1 3.42Å; I236-Q240 HydrophobicContact CG2-CG 4.35Å; I236-Q240 VanDerWaalsContact O-CB 3.26Å; I236-Q240 WeakPolarHBondContact O-CB 3.39Å; I236-Q240 WeakPolarHBondContact O-CG 3.25Å; I236-Q240 PolarHBondContact O-N 3.21Å; I236-R253 HydrophobicContact CD1-CG 4.08Å |
| 237 | L | 91.7 | Very high | 90.1 | Very high | 70 Ų | 70 | 58.5 Ų | 58.5 | 37% | 0.366 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -66.6 | -40.7 | 179.6 | -70.8 | 171.6 | 0 | 0 | 0 | 111.5 | I70 W233 D234 Q240 Q241 | I70-L237 HydrophobicContact CD1-CD1 3.89Å; W233-L237 WeakPolarHBondContact O-CB 3.34Å; W233-L237 VanDerWaalsContact O-CG 3.24Å; W233-L237 WeakPolarHBondContact O-CG 3.29Å; W233-L237 PolarHBondContact O-N 2.96Å; D234-L237 PolarHBondContact O-N 3.34Å; L237-Q240 PolarHBondContact O-N 2.74Å; L237-Q241 WeakPolarHBondContact O-CB 3.42Å; L237-Q241 PolarHBondContact O-N 3.35Å |
| 238 | A | 93.5 | Very high | 89.5 | Confident | 10 Ų | 10 | 52.9 Ų | 52.9 | 8% | 0.083 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.4 | -48.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L208 D234 D235 Q240 Q241 L242 | L208-A238 HydrophobicContact CD2-CB 3.76Å; D234-A238 WeakPolarHBondContact O-CB 3.26Å; D234-A238 PolarHBondContact O-N 3.02Å; D235-A238 PolarHBondContact O-N 2.99Å; A238-Q240 PolarHBondContact O-N 2.94Å; A238-Q241 WeakPolarHBondContact O-CB 3.44Å; A238-Q241 PolarHBondContact O-N 2.99Å; A238-L242 PolarHBondContact O-N 3.29Å |
| 239 | V | 95.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -67.7 | -37.5 | 178.3 | 74.5 | 0 | 0 | 0 | 0 | 112.2 | W123 V126 L206 L208 D235 I236 Q241 L242 Y243 | W123-V239 HydrophobicContact CE3-CB 4.09Å; W123-V239 HydrophobicContact CE3-CG1 4.08Å; W123-V239 HydrophobicContact CE3-CG2 4.06Å; W123-V239 HydrophobicContact CZ3-CB 4.04Å; W123-V239 HydrophobicContact CZ3-CG1 4.13Å; W123-V239 HydrophobicContact CZ3-CG2 4.45Å; V126-V239 HydrophobicContact CG2-CG1 3.88Å; L206-V239 HydrophobicContact CD1-CG2 4.43Å; L208-V239 HydrophobicContact CD1-CB 4.22Å; L208-V239 HydrophobicContact CD2-CB 4.37Å; D235-V239 PolarHBondContact O-N 2.88Å; D235-V239 VanDerWaalsContact O-N 3.09Å; I236-V239 WeakPolarHBondContact O-CG1 3.42Å; V239-Q241 VanDerWaalsContact C-N 3.27Å; V239-Q241 PolarHBondContact O-N 2.04Å; V239-L242 PolarHBondContact O-N 3.26Å; V239-Y243 HydrophobicContact CG2-CD2 3.8Å; V239-Y243 HydrophobicContact CG2-CE2 4.4Å; V239-Y243 WeakPolarHBondContact O-CD2 3.4Å; V239-Y243 PolarHBondContact O-N 3.27Å |
| 240 | Q | 93.7 | Very high | 87.9 | Confident | 29 Ų | 29 | 57.7 Ų | 57.7 | 14% | 0.136 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -69.8 | -23.3 | 176.2 | -72.3 | 179.3 | 0.4 | 0 | 0 | 112.9 | V126 I236 L237 A238 L242 G244 K245 | V126-Q240 WeakPolarHBondContact O-CG 3.37Å; V126-Q240 PolarHBondContact O-NE2 3.29Å; I236-Q240 HydrophobicContact CG2-CG 4.35Å; I236-Q240 VanDerWaalsContact O-CB 3.26Å; I236-Q240 WeakPolarHBondContact O-CB 3.39Å; I236-Q240 WeakPolarHBondContact O-CG 3.25Å; I236-Q240 PolarHBondContact O-N 3.21Å; L237-Q240 PolarHBondContact O-N 2.74Å; A238-Q240 PolarHBondContact O-N 2.94Å; Q240-L242 VanDerWaalsContact C-N 3.33Å; Q240-G244 WeakPolarHBondContact O-CA 3.37Å; Q240-G244 PolarHBondContact O-N 3.19Å; Q240-K245 HydrophobicContact CG-CG 4.3Å |
| 241 | Q | 91.1 | Very high | 87.1 | Confident | 94 Ų | 94 | 60 Ų | 60 | 44% | 0.439 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -71.1 | -32.5 | 173.6 | -172.4 | 175.3 | 1.6 | 0 | 0 | 111.8 | R66 L237 A238 V239 | R66-Q241 VanDerWaalsContact CG-OE1 3.31Å; L237-Q241 WeakPolarHBondContact O-CB 3.42Å; L237-Q241 PolarHBondContact O-N 3.35Å; A238-Q241 WeakPolarHBondContact O-CB 3.44Å; A238-Q241 PolarHBondContact O-N 2.99Å; V239-Q241 VanDerWaalsContact C-N 3.27Å; V239-Q241 PolarHBondContact O-N 2.04Å |
| 242 | L | 92.5 | Very high | 86.4 | Confident | 25 Ų | 25 | 63.5 Ų | 63.5 | 13% | 0.131 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -81.7 | -40.9 | 177.6 | -63.5 | -179.9 | 0 | 0 | 0 | 112.2 | A88 K90 L206 L208 A238 V239 Q240 | A88-L242 HydrophobicContact CB-CD2 4.05Å; K90-L242 HydrophobicContact CB-CD2 4.32Å; K90-L242 HydrophobicContact CD-CD2 4.41Å; K90-L242 PolarHBondContact NZ-O 3.24Å; K90-L242 VanDerWaalsContact NZ-O 3.12Å; L206-L242 WeakPolarHBondContact O-CD1 3.19Å; L208-L242 HydrophobicContact CD2-CD1 3.79Å; A238-L242 PolarHBondContact O-N 3.29Å; V239-L242 PolarHBondContact O-N 3.26Å; Q240-L242 VanDerWaalsContact C-N 3.33Å |
| 243 | Y | 94.1 | Very high | 85.9 | Confident | 3 Ų | 3 | 66.6 Ų | 66.6 | 1% | 0.012 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -123.4 | -7.2 | -166.3 | -57 | -66.7 | 0 | 0 | 0 | 114.1 | K90 W91 R94 D128 L129 L206 V239 | K90-Y243 HydrophobicContact CB-CE1 4.33Å; W91-Y243 HydrophobicContact CB-CE1 4.1Å; W91-Y243 PolarHBondContact N-OH 3.12Å; W91-Y243 VanDerWaalsContact N-OH 3.08Å; R94-Y243 VanDerWaalsContact NH1-C 3.29Å; R94-Y243 VanDerWaalsContact NH1-CB 3.31Å; R94-Y243 PolarHBondContact NH1-O 3.15Å; R94-Y243 PolarHBondContact NH2-O 3.07Å; D128-Y243 WeakPolarHBondContact CB-O 3.2Å; L129-Y243 HydrophobicContact CD1-CD1 4.19Å; L129-Y243 HydrophobicContact CD1-CD2 3.62Å; L129-Y243 HydrophobicContact CD1-CE1 4.41Å; L129-Y243 HydrophobicContact CD1-CE2 3.9Å; L129-Y243 HydrophobicContact CD1-CG 3.78Å; L129-Y243 HydrophobicContact CD2-CD1 3.62Å; L129-Y243 HydrophobicContact CD2-CE1 4Å; L129-Y243 HydrophobicContact CD2-CG 3.91Å; L129-Y243 HydrophobicContact CG-CD1 4.08Å; L129-Y243 HydrophobicContact CG-CD2 4.19Å; L129-Y243 HydrophobicContact CG-CG 3.83Å; L206-Y243 HydrophobicContact CB-CE2 4.08Å; L206-Y243 VanDerWaalsContact O-CE2 3.23Å; L206-Y243 WeakPolarHBondContact O-CE2 3.31Å; L206-Y243 VanDerWaalsContact O-CZ 3.32Å; L206-Y243 PolarHBondContact O-OH 2.82Å; V239-Y243 HydrophobicContact CG2-CD2 3.8Å; V239-Y243 HydrophobicContact CG2-CE2 4.4Å; V239-Y243 WeakPolarHBondContact O-CD2 3.4Å; V239-Y243 PolarHBondContact O-N 3.27Å |
| 244 | G | 91.9 | Very high | 85.4 | Confident | 30 Ų | 30 | 61.2 Ų | 61.2 | 31% | 0.309 | 33% | 0.327 | S | S | . | . | trans | 74.2 | 178.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | S127 D128 Q240 | S127-G244 WeakPolarHBondContact CA-O 3.27Å; D128-G244 PolarHBondContact N-O 2.91Å; Q240-G244 WeakPolarHBondContact O-CA 3.37Å; Q240-G244 PolarHBondContact O-N 3.19Å | ||
| 245 | K | 91.6 | Very high | 85.1 | Confident | 156 Ų | 156 | 62.3 Ų | 62.3 | 68% | 0.678 | 34% | 0.336 | S | S | * | . | P | Polyproline II helix | trans | -79.7 | 155.6 | -175.6 | -69.3 | 177.4 | -178.5 | 175.8 | 0 | 111.5 | Q240 | Q240-K245 HydrophobicContact CG-CG 4.3Š|
| 246 | P | 88.6 | Confident | 84.3 | Confident | 23 Ų | 23 | 62.3 Ų | 62.3 | 15% | 0.149 | 34% | 0.336 | C | S | . | . | P | Polyproline II helix | trans | -61.3 | 143 | 176.3 | 25 | -32.7 | 0 | 0 | 0 | 111.5 | S127 G248 | S127-P246 WeakPolarHBondContact O-CA 3.49Å; P246-G248 PolarHBondContact O-N 3.46Å |
| 247 | L | 77.2 | Confident | 83.5 | Confident | 142 Ų | 142 | 67.3 Ų | 67.3 | 74% | 0.743 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -65.8 | 124 | 178.5 | -66.7 | 166.8 | 0 | 0 | 0 | 110.5 | D128 N249 | D128-L247 VanDerWaalsContact OD1-CD1 3.23Å; D128-L247 WeakPolarHBondContact OD1-CD1 3.38Å; D128-L247 VanDerWaalsContact OD1-CG 3.24Å; D128-L247 WeakPolarHBondContact OD1-CG 3.2Å; L247-N249 PolarHBondContact O-N 3.3Å |
| 248 | G | 62.7 | Low | 83 | Confident | 86 Ų | 86 | 68 Ų | 68 | 89% | 0.887 | 37% | 0.366 | S | S | * | . | S | Bend | trans | 72.4 | -13 | 166.1 | 0 | 0 | 0 | 0 | 0 | 118.1 | P246 | P246-G248 PolarHBondContact O-N 3.46Š|
| 249 | N | 62.4 | Low | 82.4 | Confident | 127 Ų | 127 | 68.1 Ų | 68.1 | 68% | 0.679 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -121.5 | 148.6 | -176.9 | -81 | -26 | 0 | 0 | 0 | 113.2 | L247 | L247-N249 PolarHBondContact O-N 3.3Š|
| 250 | R | 69.1 | Low | 81.6 | Confident | 228 Ų | 228 | 70 Ų | 70 | 86% | 0.86 | 37% | 0.374 | S | S | * | . | trans | -63.1 | 142.4 | 167.6 | -72.6 | -176.5 | 175.6 | -178.9 | -0.7 | 109.2 | V252 | R250-V252 PolarHBondContact O-N 3.27Å; R250-V252 VanDerWaalsContact O-N 3.17Å | ||
| 251 | P | 74.3 | Confident | 80.8 | Confident | 52 Ų | 52 | 69.4 Ų | 69.4 | 34% | 0.338 | 37% | 0.374 | S | S | . | . | trans | -58.1 | 123 | -179.6 | 23.5 | -33 | 0 | 0 | 0 | 110.3 | N125 V126 R253 | N125-P251 WeakPolarHBondContact O-CA 3.47Å; V126-P251 HydrophobicContact CB-CB 4.48Å; V126-P251 HydrophobicContact CG1-CB 4.1Å; P251-R253 PolarHBondContact O-N 2.82Å | ||
| 252 | V | 79.6 | Confident | 80.2 | Confident | 80 Ų | 80 | 67.2 Ų | 67.2 | 49% | 0.485 | 37% | 0.372 | S | S | . | . | trans | -85.6 | 110.2 | 179.8 | 179.6 | 0 | 0 | 0 | 0 | 108.5 | N125 R250 | N125-V252 HydrophobicContact CB-CB 4.21Å; N125-V252 PolarHBondContact O-N 3.2Å; R250-V252 PolarHBondContact O-N 3.27Å; R250-V252 VanDerWaalsContact O-N 3.17Å | ||
| 253 | R | 80.9 | Confident | 79.5 | Confident | 69 Ų | 69 | 66.1 Ų | 66.1 | 26% | 0.26 | 37% | 0.366 | S | S | . | . | P | Polyproline II helix | trans | -94.7 | 120.2 | 179.6 | -58.3 | 179.7 | 69.4 | -173.5 | 4.2 | 109.5 | L229 L231 I236 P251 P255 | L229-R253 HydrophobicContact CD2-CB 4.05Å; L231-R253 PolarHBondContact O-NH2 3.36Å; I236-R253 HydrophobicContact CD1-CG 4.08Å; P251-R253 PolarHBondContact O-N 2.82Å; R253-P255 VanDerWaalsContact O-CD 3.29Å; R253-P255 WeakPolarHBondContact O-CD 3.3Å |
| 254 | L | 81.1 | Confident | 78.5 | Confident | 40 Ų | 40 | 66.8 Ų | 66.8 | 21% | 0.209 | 37% | 0.369 | C | S | . | . | P | Polyproline II helix | trans | -81.8 | 118.3 | -178.4 | -75.6 | 165.2 | 0 | 0 | 0 | 111.6 | L122 V230 | L122-L254 HydrophobicContact CD1-CB 4.05Å; L122-L254 HydrophobicContact CD1-CD1 3.64Å; L122-L254 HydrophobicContact CD1-CG 4.32Å; V230-L254 PolarHBondContact N-O 2.88Å; V230-L254 VanDerWaalsContact N-O 3.09Å |
| 255 | P | 84.4 | Confident | 77.7 | Confident | 43 Ų | 43 | 71.6 Ų | 71.6 | 28% | 0.279 | 38% | 0.384 | S | S | . | . | B | Isolated β-bridge | trans | -71.9 | 127.7 | 169 | -13.8 | 30.5 | 0 | 0 | 0 | 110.4 | L229 R253 Q257 V258 L259 | L229-P255 HydrophobicContact CD2-CB 4.31Å; L229-P255 HydrophobicContact CD2-CG 4.17Å; R253-P255 VanDerWaalsContact O-CD 3.29Å; R253-P255 WeakPolarHBondContact O-CD 3.3Å; P255-Q257 HydrophobicContact CB-CG 4.29Å; P255-Q257 PolarHBondContact O-N 3.08Å; P255-Q257 VanDerWaalsContact O-N 3.15Å; P255-V258 HydrophobicContact CB-CG2 4.09Å; P255-V258 HydrophobicContact CG-CG2 4.19Å; P255-V258 PolarHBondContact O-N 2.69Å; P255-L259 PolarHBondContact O-N 2.83Å |
| 256 | G | 79.8 | Confident | 76.7 | Confident | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -62.2 | -27 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | G226 R228 H260 | G226-G256 CarbonylContact O-C 3.51Å; G226-G256 WeakPolarHBondContact O-CA 3.29Å; R228-G256 WeakPolarHBondContact O-CA 3.38Å; R228-G256 PolarHBondContact O-N 3.27Å; G256-H260 WeakPolarHBondContact O-CB 3.48Å; G256-H260 PolarHBondContact O-N 2.91Å |
| 257 | Q | 78.3 | Confident | 75.8 | Confident | 107 Ų | 107 | 68 Ų | 68 | 50% | 0.5 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -66 | -36.8 | 174 | 63.2 | -174.2 | 9.3 | 0 | 0 | 113.6 | G226 R227 P255 A261 | G226-Q257 PolarHBondContact O-N 2.86Å; R227-Q257 HydrophobicContact CB-CB 4.39Å; R227-Q257 HydrophobicContact CG-CB 4.33Å; P255-Q257 HydrophobicContact CB-CG 4.29Å; P255-Q257 PolarHBondContact O-N 3.08Å; P255-Q257 VanDerWaalsContact O-N 3.15Å; Q257-A261 PolarHBondContact O-N 3.46Å; Q257-A261 VanDerWaalsContact O-N 3.17Å |
| 258 | V | 80.5 | Confident | 75.2 | Confident | 84 Ų | 84 | 62.6 Ų | 62.6 | 51% | 0.509 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -71.6 | -46.1 | 179.7 | 176.5 | 0 | 0 | 0 | 0 | 108.4 | P255 H260 A261 A262 | P255-V258 HydrophobicContact CB-CG2 4.09Å; P255-V258 HydrophobicContact CG-CG2 4.19Å; P255-V258 PolarHBondContact O-N 2.69Å; V258-H260 PolarHBondContact O-N 3.12Å; V258-A261 PolarHBondContact O-N 3.25Å; V258-A262 PolarHBondContact O-N 3.12Å |
| 259 | L | 81.8 | Confident | 75.5 | Confident | 13 Ų | 13 | 62 Ų | 62 | 7% | 0.068 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60.8 | -45 | 176.3 | 179.1 | 61.1 | 0 | 0 | 0 | 112.2 | T118 F195 L225 V230 P255 A261 A262 L263 | T118-L259 HydrophobicContact CG2-CD1 3.62Å; F195-L259 HydrophobicContact CD1-CD2 3.61Å; F195-L259 HydrophobicContact CD2-CD2 4.26Å; F195-L259 HydrophobicContact CE1-CD2 3.14Å; F195-L259 HydrophobicContact CE2-CD2 3.83Å; F195-L259 HydrophobicContact CG-CD2 4.17Å; F195-L259 HydrophobicContact CZ-CD2 3.25Å; L225-L259 HydrophobicContact CD1-CD2 4.36Å; L225-L259 HydrophobicContact CD2-CD2 4.39Å; L225-L259 HydrophobicContact CD2-CG 4.34Å; V230-L259 HydrophobicContact CG2-CD2 4.25Å; P255-L259 PolarHBondContact O-N 2.83Å; L259-A261 VanDerWaalsContact C-N 3.28Å; L259-A261 PolarHBondContact O-N 3.43Å; L259-A262 PolarHBondContact O-N 3.49Å; L259-L263 HydrophobicContact CD1-CD1 4.03Å; L259-L263 HydrophobicContact CD1-CD2 4.32Å; L259-L263 HydrophobicContact CD1-CG 3.86Å; L259-L263 HydrophobicContact CG-CD1 3.94Å; L259-L263 HydrophobicContact CG-CG 4.21Å; L259-L263 WeakPolarHBondContact O-CB 3.28Å; L259-L263 WeakPolarHBondContact O-CG 3.26Å; L259-L263 PolarHBondContact O-N 3.44Å |
| 260 | H | 78.9 | Confident | 75.6 | Confident | 39 Ų | 39 | 57 Ų | 57 | 18% | 0.181 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59 | -41.1 | 178 | -176.5 | 66.6 | 0 | 0 | 0 | 112 | N187 L225 G256 V258 Q264 | N187-H260 PolarHBondContact O-CE1 3.13Å; L225-H260 HydrophobicContact CD2-CB 3.78Å; L225-H260 HydrophobicContact CG-CB 4.32Å; G256-H260 WeakPolarHBondContact O-CB 3.48Å; G256-H260 PolarHBondContact O-N 2.91Å; V258-H260 PolarHBondContact O-N 3.12Å; H260-Q264 VanDerWaalsContact O-CB 3.29Å; H260-Q264 WeakPolarHBondContact O-CB 3.27Å; H260-Q264 PolarHBondContact O-N 3.36Å |
| 261 | A | 76 | Confident | 75.2 | Confident | 16 Ų | 16 | 46.4 Ų | 46.4 | 13% | 0.132 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.5 | -47.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q257 V258 L259 Q264 E265 | Q257-A261 PolarHBondContact O-N 3.46Å; Q257-A261 VanDerWaalsContact O-N 3.17Å; V258-A261 PolarHBondContact O-N 3.25Å; L259-A261 VanDerWaalsContact C-N 3.28Å; L259-A261 PolarHBondContact O-N 3.43Å; A261-Q264 PolarHBondContact O-N 3.38Å; A261-E265 PolarHBondContact O-N 3.3Å |
| 262 | A | 78.7 | Confident | 74.6 | Confident | 49 Ų | 49 | 49.4 Ų | 49.4 | 41% | 0.405 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -63.7 | -45.5 | -179 | 0 | 0 | 0 | 0 | 0 | 112.5 | V258 L259 Q264 E265 W266 | V258-A262 PolarHBondContact O-N 3.12Å; L259-A262 PolarHBondContact O-N 3.49Å; A262-Q264 PolarHBondContact O-N 3.37Å; A262-E265 PolarHBondContact O-N 2.96Å; A262-W266 WeakPolarHBondContact O-CB 3.41Å; A262-W266 PolarHBondContact O-N 3.48Å |
| 263 | L | 77.3 | Confident | 73.6 | Confident | 2 Ų | 2 | 51.9 Ų | 51.9 | 1% | 0.01 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.5 | -36 | 175.7 | -69.9 | 177.4 | 0 | 0 | 0 | 111.5 | L114 F195 L225 L259 E267 | L114-L263 HydrophobicContact CD2-CD2 3.61Å; L114-L263 HydrophobicContact CG-CD2 3.84Å; F195-L263 HydrophobicContact CB-CD1 4.25Å; F195-L263 HydrophobicContact CG-CD1 4.48Å; L225-L263 HydrophobicContact CD2-CD1 4.47Å; L259-L263 HydrophobicContact CD1-CD1 4.03Å; L259-L263 HydrophobicContact CD1-CD2 4.32Å; L259-L263 HydrophobicContact CD1-CG 3.86Å; L259-L263 HydrophobicContact CG-CD1 3.94Å; L259-L263 HydrophobicContact CG-CG 4.21Å; L259-L263 WeakPolarHBondContact O-CB 3.28Å; L259-L263 WeakPolarHBondContact O-CG 3.26Å; L259-L263 PolarHBondContact O-N 3.44Å; L263-E267 WeakPolarHBondContact O-CB 3.27Å; L263-E267 PolarHBondContact O-N 2.97Å |
| 264 | Q | 73.3 | Confident | 72.4 | Confident | 16 Ų | 16 | 53.4 Ų | 53.4 | 8% | 0.075 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -71.6 | -41.8 | 179.2 | 177.7 | 178.7 | -12.1 | 0 | 0 | 113.5 | N187 H260 A261 A262 W266 F268 S303 | N187-Q264 HydrophobicContact CB-CB 4.11Å; N187-Q264 WeakPolarHBondContact ND2-CA 3.5Å; H260-Q264 VanDerWaalsContact O-CB 3.29Å; H260-Q264 WeakPolarHBondContact O-CB 3.27Å; H260-Q264 PolarHBondContact O-N 3.36Å; A261-Q264 PolarHBondContact O-N 3.38Å; A262-Q264 PolarHBondContact O-N 3.37Å; Q264-W266 VanDerWaalsContact C-N 3.33Å; Q264-F268 PolarHBondContact O-N 3.47Å; Q264-S303 PolarHBondContact NE2-OG 2.96Å |
| 265 | E | 74.4 | Confident | 71.1 | Confident | 132 Ų | 132 | 54.6 Ų | 54.6 | 62% | 0.617 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -63.7 | -43.5 | 174.6 | -74.5 | 172.6 | -174 | 0 | 0 | 110.7 | A261 A262 F268 T269 | A261-E265 PolarHBondContact O-N 3.3Å; A262-E265 PolarHBondContact O-N 2.96Å; E265-F268 WeakPolarHBondContact O-CB 3.44Å; E265-F268 PolarHBondContact O-N 3.5Å; E265-T269 PolarHBondContact O-N 2.91Å; E265-T269 PolarHBondContact O-OG1 3.3Å; E265-T269 VanDerWaalsContact O-OG1 3.12Å |
| 266 | W | 72 | Confident | 69.6 | Low | 92 Ų | 92 | 61.8 Ų | 61.8 | 35% | 0.348 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -69.3 | -43.9 | -176.9 | -164.9 | 94.9 | 0 | 0 | 0 | 113.4 | G110 S111 L114 A262 Q264 F268 T269 E270 | G110-W266 WeakPolarHBondContact O-CH2 3.49Å; G110-W266 WeakPolarHBondContact O-CZ3 3.29Å; S111-W266 VanDerWaalsContact CA-CZ3 3.44Å; S111-W266 VanDerWaalsContact N-CZ3 3.35Å; L114-W266 HydrophobicContact CB-CD2 4.42Å; L114-W266 HydrophobicContact CB-CE3 4.13Å; L114-W266 HydrophobicContact CB-CH2 4.27Å; L114-W266 HydrophobicContact CB-CZ3 4.06Å; L114-W266 HydrophobicContact CD2-CB 3.67Å; L114-W266 HydrophobicContact CD2-CD2 3.34Å; L114-W266 HydrophobicContact CD2-CE3 3.36Å; L114-W266 HydrophobicContact CD2-CG 3.48Å; L114-W266 VanDerWaalsContact CD2-CG 3.48Å; L114-W266 HydrophobicContact CD2-CZ3 4.13Å; L114-W266 HydrophobicContact CG-CD2 4.37Å; L114-W266 HydrophobicContact CG-CE3 4.35Å; A262-W266 WeakPolarHBondContact O-CB 3.41Å; A262-W266 PolarHBondContact O-N 3.48Å; Q264-W266 VanDerWaalsContact C-N 3.33Å; W266-F268 PolarHBondContact O-N 3Å; W266-T269 PolarHBondContact O-N 3.32Å; W266-T269 VanDerWaalsContact O-N 3.15Å; W266-E270 HydrophobicContact CD2-CB 4.42Å; W266-E270 HydrophobicContact CE3-CB 4.02Å; W266-E270 HydrophobicContact CH2-CB 3.85Å; W266-E270 HydrophobicContact CH2-CG 3.63Å; W266-E270 WeakPolarHBondContact CH2-OE2 3.15Å; W266-E270 HydrophobicContact CZ2-CB 4.33Å; W266-E270 HydrophobicContact CZ2-CG 4.22Å; W266-E270 HydrophobicContact CZ3-CB 3.7Å; W266-E270 HydrophobicContact CZ3-CG 3.91Å; W266-E270 WeakPolarHBondContact CZ3-OE2 3.02Å; W266-E270 WeakPolarHBondContact O-CB 3.34Å; W266-E270 PolarHBondContact O-N 3.45Å |
| 267 | E | 68.3 | Low | 68.8 | Low | 10 Ų | 10 | 65.3 Ų | 65.3 | 5% | 0.047 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -56.6 | -38.3 | 173.8 | -178.3 | -180 | 179.4 | 0 | 0 | 110.9 | L186 N187 L263 L271 R301 | L186-E267 HydrophobicContact CD1-CB 4.28Å; N187-E267 PolarHBondContact ND2-OE2 2.73Å; N187-E267 PolarHBondContact OD1-OE2 3.36Å; L263-E267 WeakPolarHBondContact O-CB 3.27Å; L263-E267 PolarHBondContact O-N 2.97Å; E267-L271 HydrophobicContact CG-CD1 3.64Å; E267-L271 HydrophobicContact CG-CG 4.33Å; E267-L271 VanDerWaalsContact O-CB 3.32Å; E267-L271 WeakPolarHBondContact O-CB 3.27Å; E267-L271 WeakPolarHBondContact O-CD1 3.45Å; E267-L271 WeakPolarHBondContact O-CG 3.47Å; E267-L271 PolarHBondContact O-N 2.96Å; E267-L271 VanDerWaalsContact O-N 3.14Å; E267-R301 IonicContact OE1-CZ 3.61Å; E267-R301 IonicContact OE1-NE 3.18Å; E267-R301 IonicContact OE1-NH2 3.11Å; E267-R301 PolarHBondContact OE1-NH2 3.41Å |
| 268 | F | 66.2 | Low | 68.4 | Low | 29 Ų | 29 | 62.4 Ų | 62.4 | 13% | 0.127 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -66.9 | -46.2 | 176.7 | -172 | -95.2 | 0 | 0 | 0 | 112.3 | Q264 E265 W266 Q272 L280 R304 W306 P317 | Q264-F268 PolarHBondContact O-N 3.47Å; E265-F268 WeakPolarHBondContact O-CB 3.44Å; E265-F268 PolarHBondContact O-N 3.5Å; W266-F268 PolarHBondContact O-N 3Å; F268-Q272 VanDerWaalsContact CE1-OE1 3.27Å; F268-Q272 WeakPolarHBondContact O-CB 3.22Å; F268-Q272 PolarHBondContact O-N 3.43Å; F268-Q272 VanDerWaalsContact O-N 3.12Å; F268-L280 HydrophobicContact CD2-CD1 3.65Å; F268-L280 HydrophobicContact CE2-CD1 3.82Å; F268-R304 VanDerWaalsContact CE1-NH2 3.3Å; F268-R304 HydrophobicContact CE2-CG 4.43Å; F268-R304 VanDerWaalsContact CZ-NE 3.26Å; F268-W306 HydrophobicContact CE2-CZ2 4.33Å; F268-P317 HydrophobicContact CE2-CB 4.01Å; F268-P317 HydrophobicContact CE2-CG 4.24Å; F268-P317 HydrophobicContact CZ-CB 3.86Å; F268-P317 HydrophobicContact CZ-CG 3.64Å |
| 269 | T | 69.1 | Low | 68.2 | Low | 73 Ų | 73 | 59.3 Ų | 59.3 | 45% | 0.448 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -64.7 | -45.6 | 178.7 | -57 | 0 | 0 | 0 | 0 | 112.4 | E265 W266 Q272 N273 | E265-T269 PolarHBondContact O-N 2.91Å; E265-T269 PolarHBondContact O-OG1 3.3Å; E265-T269 VanDerWaalsContact O-OG1 3.12Å; W266-T269 PolarHBondContact O-N 3.32Å; W266-T269 VanDerWaalsContact O-N 3.15Å; T269-Q272 PolarHBondContact O-N 2.75Å; T269-N273 PolarHBondContact O-N 2.9Å |
| 270 | E | 64.3 | Low | 67.8 | Low | 22 Ų | 22 | 59.2 Ų | 59.2 | 10% | 0.103 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -66.6 | -44.9 | -177.4 | -162.8 | -156.6 | -172.9 | 0 | 0 | 111.4 | S108 G110 S111 W266 Q272 N273 Q274 | S108-E270 PolarHBondContact OG-OE2 2.99Å; G110-E270 WeakPolarHBondContact CA-OE1 3.26Å; G110-E270 PolarHBondContact N-OE1 3.35Å; G110-E270 VanDerWaalsContact N-OE1 3.08Å; S111-E270 PolarHBondContact N-OE2 2.82Å; S111-E270 PolarHBondContact OG-OE2 3.21Å; W266-E270 HydrophobicContact CD2-CB 4.42Å; W266-E270 HydrophobicContact CE3-CB 4.02Å; W266-E270 HydrophobicContact CH2-CB 3.85Å; W266-E270 HydrophobicContact CH2-CG 3.63Å; W266-E270 WeakPolarHBondContact CH2-OE2 3.15Å; W266-E270 HydrophobicContact CZ2-CB 4.33Å; W266-E270 HydrophobicContact CZ2-CG 4.22Å; W266-E270 HydrophobicContact CZ3-CB 3.7Å; W266-E270 HydrophobicContact CZ3-CG 3.91Å; W266-E270 WeakPolarHBondContact CZ3-OE2 3.02Å; W266-E270 WeakPolarHBondContact O-CB 3.34Å; W266-E270 PolarHBondContact O-N 3.45Å; E270-Q272 VanDerWaalsContact C-N 3.27Å; E270-Q272 PolarHBondContact O-N 2.98Å; E270-N273 PolarHBondContact O-N 3.32Å; E270-N273 VanDerWaalsContact O-N 3.13Å; E270-Q274 PolarHBondContact O-N 2.99Å; E270-Q274 PolarHBondContact OE1-NE2 3.23Å |
| 271 | L | 59.5 | Low | 67.9 | Low | 7 Ų | 7 | 57.3 Ų | 57.3 | 4% | 0.037 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -69.6 | -26.8 | 179.9 | -63.7 | 168.7 | 0 | 0 | 0 | 112.5 | E267 L280 | E267-L271 HydrophobicContact CG-CD1 3.64Å; E267-L271 HydrophobicContact CG-CG 4.33Å; E267-L271 VanDerWaalsContact O-CB 3.32Å; E267-L271 WeakPolarHBondContact O-CB 3.27Å; E267-L271 WeakPolarHBondContact O-CD1 3.45Å; E267-L271 WeakPolarHBondContact O-CG 3.47Å; E267-L271 PolarHBondContact O-N 2.96Å; E267-L271 VanDerWaalsContact O-N 3.14Å; L271-L280 HydrophobicContact CB-CD1 4.01Å; L271-L280 HydrophobicContact CB-CD2 3.2Å; L271-L280 HydrophobicContact CB-CG 4.2Å; L271-L280 HydrophobicContact CD1-CD1 4.11Å; L271-L280 HydrophobicContact CD1-CD2 4.18Å; L271-L280 HydrophobicContact CG-CD2 4.27Å |
| 272 | Q | 62.8 | Low | 68.3 | Low | 115 Ų | 115 | 57.5 Ų | 57.5 | 54% | 0.537 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -71.4 | -34.5 | 171.5 | -169.9 | 172.8 | -0.1 | 0 | 0 | 111.6 | F268 T269 E270 | F268-Q272 VanDerWaalsContact CE1-OE1 3.27Å; F268-Q272 WeakPolarHBondContact O-CB 3.22Å; F268-Q272 PolarHBondContact O-N 3.43Å; F268-Q272 VanDerWaalsContact O-N 3.12Å; T269-Q272 PolarHBondContact O-N 2.75Å; E270-Q272 VanDerWaalsContact C-N 3.27Å; E270-Q272 PolarHBondContact O-N 2.98Å |
| 273 | N | 58.7 | Low | 68.1 | Low | 131 Ų | 131 | 57.7 Ų | 57.7 | 70% | 0.701 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -77.6 | -26.9 | 178.1 | -74.3 | -11.8 | 0 | 0 | 0 | 113.6 | T269 E270 | T269-N273 PolarHBondContact O-N 2.9Å; E270-N273 PolarHBondContact O-N 3.32Å; E270-N273 VanDerWaalsContact O-N 3.13Å |
| 274 | Q | 55.6 | Low | 67.7 | Low | 102 Ų | 102 | 57.8 Ų | 57.8 | 48% | 0.477 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -83.6 | -14.8 | -179.3 | -76.3 | -178 | 1.8 | 0 | 0 | 114.5 | E270 | E270-Q274 PolarHBondContact O-N 2.99Å; E270-Q274 PolarHBondContact OE1-NE2 3.23Å |
| 275 | N | 53.7 | Low | 67.7 | Low | 64 Ų | 64 | 58.2 Ų | 58.2 | 34% | 0.342 | 31% | 0.311 | S | S | . | . | trans | -125.5 | 110.7 | -175.9 | -90.4 | -9.2 | 0 | 0 | 0 | 112.6 | G277 Q283 | N275-G277 PolarHBondContact O-N 3.33Å; N275-Q283 PolarHBondContact ND2-NE2 2.98Å; N275-Q283 VanDerWaalsContact ND2-NE2 3.18Å | ||
| 276 | L | 53.4 | Low | 68.2 | Low | 195 Ų | 195 | 52 Ų | 52 | 100% | 1.021 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -68.3 | 67 | 169.5 | -78.6 | 145 | 0 | 0 | 0 | 111.8 | ||
| 277 | G | 61.7 | Low | 69 | Low | 73 Ų | 73 | 47.9 Ų | 47.9 | 75% | 0.753 | 27% | 0.266 | S | S | * | . | S | Bend | trans | 113.5 | 4.8 | 159.7 | 0 | 0 | 0 | 0 | 0 | 118.7 | N275 | N275-G277 PolarHBondContact O-N 3.33Š|
| 278 | L | 70.7 | Confident | 70.2 | Confident | 46 Ų | 46 | 47.5 Ų | 47.5 | 24% | 0.241 | 27% | 0.265 | C | S | . | . | trans | -106 | 138.5 | 176.1 | -84 | 160 | 0 | 0 | 0 | 112.9 | I471 | L278-I471 HydrophobicContact CD1-CG1 4.2Š| ||
| 279 | P | 75.8 | Confident | 71.6 | Confident | 20 Ų | 20 | 46.2 Ų | 46.2 | 13% | 0.13 | 26% | 0.259 | C | S | . | . | trans | -61.7 | 142.2 | 176.5 | -20.7 | 29.7 | 0 | 0 | 0 | 113.8 | Y281 C282 V314 | P279-Y281 HydrophobicContact CB-CD1 3.5Å; P279-Y281 HydrophobicContact CB-CE1 3.13Å; P279-Y281 HydrophobicContact CB-CG 4.44Å; P279-Y281 HydrophobicContact CG-CE1 3.8Å; P279-Y281 PolarHBondContact O-N 2.94Å; P279-Y281 VanDerWaalsContact O-N 3.09Å; P279-C282 VanDerWaalsContact O-CB 3.27Å; P279-C282 WeakPolarHBondContact O-CB 3.48Å; P279-C282 PolarHBondContact O-N 3.45Å; P279-V314 HydrophobicContact CB-CG1 4.31Å; P279-V314 HydrophobicContact CG-CB 4.06Å; P279-V314 HydrophobicContact CG-CG1 3.51Å; P279-V314 HydrophobicContact CG-CG2 4.11Å | ||
| 280 | L | 74.2 | Confident | 72.8 | Confident | 10 Ų | 10 | 43 Ų | 43 | 5% | 0.052 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -56.9 | -32 | -175.8 | -60.2 | -173.2 | 0 | 0 | 0 | 114.8 | F268 L271 C282 Q283 R301 W306 | F268-L280 HydrophobicContact CD2-CD1 3.65Å; F268-L280 HydrophobicContact CE2-CD1 3.82Å; L271-L280 HydrophobicContact CB-CD1 4.01Å; L271-L280 HydrophobicContact CB-CD2 3.2Å; L271-L280 HydrophobicContact CB-CG 4.2Å; L271-L280 HydrophobicContact CD1-CD1 4.11Å; L271-L280 HydrophobicContact CD1-CD2 4.18Å; L271-L280 HydrophobicContact CG-CD2 4.27Å; L280-C282 PolarHBondContact O-N 3.21Å; L280-Q283 PolarHBondContact O-N 3.07Å; L280-R301 PolarHBondContact O-NH1 3.23Å; L280-R301 VanDerWaalsContact O-NH1 3.13Å; L280-W306 HydrophobicContact CB-CH2 4Å; L280-W306 HydrophobicContact CB-CZ2 3.95Å; L280-W306 HydrophobicContact CD1-CH2 4.34Å; L280-W306 HydrophobicContact CD1-CZ2 4.22Å; L280-W306 HydrophobicContact CG-CH2 4.42Å; L280-W306 HydrophobicContact CG-CZ2 4.05Å |
| 281 | Y | 81.3 | Confident | 74.4 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -65.9 | -28.8 | -178.4 | 65.4 | -92.2 | 0 | 0 | 0 | 111.5 | P279 Q283 G284 I285 V299 W306 V308 V314 W459 T466 | P279-Y281 HydrophobicContact CB-CD1 3.5Å; P279-Y281 HydrophobicContact CB-CE1 3.13Å; P279-Y281 HydrophobicContact CB-CG 4.44Å; P279-Y281 HydrophobicContact CG-CE1 3.8Å; P279-Y281 PolarHBondContact O-N 2.94Å; P279-Y281 VanDerWaalsContact O-N 3.09Å; Y281-Q283 PolarHBondContact O-N 3.42Å; Y281-G284 PolarHBondContact O-N 3.32Å; Y281-I285 PolarHBondContact O-N 2.94Å; Y281-V299 HydrophobicContact CD1-CB 4.16Å; Y281-V299 HydrophobicContact CD1-CG1 4.29Å; Y281-V299 HydrophobicContact CD1-CG2 4.46Å; Y281-V299 HydrophobicContact CD2-CB 4.05Å; Y281-V299 HydrophobicContact CD2-CG1 3.75Å; Y281-V299 HydrophobicContact CD2-CG2 3.81Å; Y281-V299 HydrophobicContact CE1-CB 4.48Å; Y281-V299 HydrophobicContact CE1-CG2 4.4Å; Y281-V299 HydrophobicContact CE2-CB 4.46Å; Y281-V299 HydrophobicContact CE2-CG2 3.82Å; Y281-V299 HydrophobicContact CG-CB 3.94Å; Y281-V299 HydrophobicContact CG-CG1 3.63Å; Y281-V299 HydrophobicContact CG-CG2 4.2Å; Y281-W306 HydrophobicContact CD1-CB 4.01Å; Y281-W306 AromaticContact CD1-CD2 3.56Å; Y281-W306 HydrophobicContact CD1-CD2 3.56Å; Y281-W306 AromaticContact CD1-CE3 3.62Å; Y281-W306 HydrophobicContact CD1-CE3 3.62Å; Y281-W306 AromaticContact CD1-CG 3.73Å; Y281-W306 HydrophobicContact CD1-CG 3.73Å; Y281-W306 HydrophobicContact CD1-CZ3 4.33Å; Y281-W306 HydrophobicContact CE1-CB 3.53Å; Y281-W306 AromaticContact CE1-CD2 3.92Å; Y281-W306 HydrophobicContact CE1-CD2 3.92Å; Y281-W306 HydrophobicContact CE1-CE3 4.35Å; Y281-W306 AromaticContact CE1-CG 3.55Å; Y281-W306 HydrophobicContact CE1-CG 3.55Å; Y281-W306 HydrophobicContact CG-CE3 4.48Å; Y281-V308 WeakPolarHBondContact OH-CG2 3.25Å; Y281-V314 HydrophobicContact CE1-CG1 4.22Å; Y281-W459 AromaticContact CD2-CH2 3.65Å; Y281-W459 HydrophobicContact CD2-CH2 3.65Å; Y281-W459 AromaticContact CD2-CZ3 3.95Å; Y281-W459 HydrophobicContact CD2-CZ3 3.95Å; Y281-W459 HydrophobicContact CE2-CH2 4.34Å; Y281-W459 HydrophobicContact CE2-CZ3 4.19Å; Y281-W459 WeakPolarHBondContact O-CH2 3.44Å; Y281-W459 WeakPolarHBondContact O-CZ2 3.33Å; Y281-T466 VanDerWaalsContact CE2-O 3.31Å; Y281-T466 WeakPolarHBondContact CE2-O 3.33Å; Y281-T466 PolarHBondContact OH-O 2.98Å |
| 282 | C | 83.4 | Confident | 76 | Confident | 19 Ų | 19 | 43.3 Ų | 43.3 | 13% | 0.128 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -58.6 | -14.5 | -178.3 | -66.4 | 0 | 0 | 0 | 0 | 114.6 | P279 L280 G284 A460 C468 | P279-C282 VanDerWaalsContact O-CB 3.27Å; P279-C282 WeakPolarHBondContact O-CB 3.48Å; P279-C282 PolarHBondContact O-N 3.45Å; L280-C282 PolarHBondContact O-N 3.21Å; C282-G284 PolarHBondContact O-N 2.92Å; C282-A460 WeakPolarHBondContact O-CB 3.09Å; C282-C468 WeakPolarHBondContact CA-SG 3.12Å; C282-C468 HydrophobicContact CB-CB 3.75Å; C282-C468 WeakPolarHBondContact CB-SG 3.36Å; C282-C468 VanDerWaalsContact SG-CA 3.51Å; C282-C468 WeakPolarHBondContact SG-CB 3.42Å; C282-C468 CovalentContact SG-SG 2.04Å; C282-C468 PolarHBondContact SG-SG 2.88Å |
| 283 | Q | 74 | Confident | 77.4 | Confident | 54 Ų | 54 | 43.7 Ų | 43.7 | 25% | 0.252 | 24% | 0.244 | S | C | . | . | G | 310 helix | trans | -76.5 | 1.7 | 173 | -61.9 | 172.8 | -0.5 | 0 | 0 | 113.6 | N275 L280 Y281 Q441 | N275-Q283 PolarHBondContact ND2-NE2 2.98Å; N275-Q283 VanDerWaalsContact ND2-NE2 3.18Å; L280-Q283 PolarHBondContact O-N 3.07Å; Y281-Q283 PolarHBondContact O-N 3.42Å; Q283-Q441 WeakPolarHBondContact O-CG 3.37Å; Q283-Q441 PolarHBondContact O-NE2 3.5Å |
| 284 | G | 70.1 | Confident | 79.1 | Confident | 3 Ų | 3 | 44.3 Ų | 44.3 | 3% | 0.031 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 93.9 | 8.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115 | Y281 C282 N440 W459 | Y281-G284 PolarHBondContact O-N 3.32Å; C282-G284 PolarHBondContact O-N 2.92Å; G284-N440 CarbonylContact O-C 3.6Å; G284-N440 WeakPolarHBondContact O-CA 3.47Å; G284-W459 VanDerWaalsContact CA-CZ2 3.47Å |
| 285 | I | 72.4 | Confident | 80.9 | Confident | 26 Ų | 26 | 42.1 Ų | 42.1 | 13% | 0.133 | 23% | 0.23 | C | C | . | . | trans | -122.9 | 106.4 | -169.2 | -53.9 | 172.8 | 0 | 0 | 0 | 109.5 | H106 Y281 R301 | H106-I285 HydrophobicContact CB-CD1 4.3Å; H106-I285 VanDerWaalsContact O-CD1 3.3Å; H106-I285 WeakPolarHBondContact O-CD1 3.47Å; Y281-I285 PolarHBondContact O-N 2.94Å; I285-R301 VanDerWaalsContact CG2-CZ 3.49Å; I285-R301 WeakPolarHBondContact O-CD 3.45Å; I285-R301 PolarHBondContact O-NH1 3.28Å; I285-R301 VanDerWaalsContact O-NH1 3.1Å | ||
| 286 | F | 85.8 | Confident | 82.9 | Confident | 1 Ų | 1 | 40.2 Ų | 40.2 | 0% | 0.004 | 22% | 0.221 | C | C | . | . | trans | -149.8 | 160.8 | 172.2 | 62.5 | -94.1 | 0 | 0 | 0 | 110.5 | R183 A288 I289 V299 F300 N425 F438 W459 | R183-F286 PolarHBondContact NH2-O 3.01Å; F286-A288 WeakPolarHBondContact CD2-O 3.03Å; F286-I289 HydrophobicContact CD2-CB 4.17Å; F286-I289 HydrophobicContact CE2-CB 3.67Å; F286-I289 HydrophobicContact CE2-CG2 3.61Å; F286-I289 HydrophobicContact CZ-CB 4.15Å; F286-I289 HydrophobicContact CZ-CG2 3.87Å; F286-V299 HydrophobicContact CB-CG1 3.64Å; F286-V299 HydrophobicContact CD1-CG1 4.22Å; F286-V299 HydrophobicContact CD2-CG1 4.29Å; F286-V299 HydrophobicContact CG-CG1 3.82Å; F286-F300 WeakPolarHBondContact CB-O 3.46Å; F286-N425 PolarHBondContact O-ND2 3.27Å; F286-F438 HydrophobicContact CE1-CB 4.39Å; F286-F438 HydrophobicContact CE2-CB 4.37Å; F286-F438 HydrophobicContact CZ-CB 3.53Å; F286-F438 HydrophobicContact CZ-CD1 4.14Å; F286-F438 AromaticContact CZ-CG 3.86Å; F286-F438 HydrophobicContact CZ-CG 3.86Å; F286-W459 HydrophobicContact CD1-CH2 4.43Å; F286-W459 AromaticContact CD1-CZ2 3.86Å; F286-W459 HydrophobicContact CD1-CZ2 3.86Å; F286-W459 AromaticContact CE1-CE2 3.91Å; F286-W459 HydrophobicContact CE1-CH2 4.46Å; F286-W459 AromaticContact CE1-CZ2 3.74Å; F286-W459 HydrophobicContact CE1-CZ2 3.74Å | ||
| 287 | D | 87.8 | Confident | 85 | Confident | 6 Ų | 6 | 31 Ų | 31 | 3% | 0.032 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -85.6 | -47.4 | 179.3 | -69.5 | -48.1 | 0 | 0 | 0 | 111.5 | K190 F300 R301 G302 I331 N425 | K190-D287 WeakPolarHBondContact CE-O 3.32Å; K190-D287 PolarHBondContact NZ-O 3.31Å; D287-F300 PolarHBondContact N-O 3.49Å; D287-R301 WeakPolarHBondContact OD2-CA 3.12Å; D287-G302 PolarHBondContact OD2-N 3.14Å; D287-I331 WeakPolarHBondContact CB-O 3.35Å; D287-N425 VanDerWaalsContact O-O 3.05Å |
| 288 | A | 93.4 | Very high | 86.6 | Confident | 1 Ų | 1 | 27.6 Ų | 27.6 | 1% | 0.008 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 156.2 | 178 | 0 | 0 | 0 | 0 | 0 | 111.1 | F286 F300 I331 A334 | F286-A288 WeakPolarHBondContact CD2-O 3.03Å; A288-F300 HydrophobicContact CB-CB 4.31Å; A288-F300 HydrophobicContact CB-CD2 4.28Å; A288-F300 PolarHBondContact N-O 3.25Å; A288-F300 PolarHBondContact O-N 2.84Å; A288-I331 HydrophobicContact CB-CD1 4.31Å; A288-A334 HydrophobicContact CB-CB 4.13Å |
| 289 | I | 95.2 | Very high | 87.8 | Confident | 2 Ų | 2 | 25.4 Ų | 25.4 | 1% | 0.01 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 139.9 | 171 | -166 | 176.9 | 0 | 0 | 0 | 108.7 | F286 V297 L298 V299 L428 F438 | F286-I289 HydrophobicContact CD2-CB 4.17Å; F286-I289 HydrophobicContact CE2-CB 3.67Å; F286-I289 HydrophobicContact CE2-CG2 3.61Å; F286-I289 HydrophobicContact CZ-CB 4.15Å; F286-I289 HydrophobicContact CZ-CG2 3.87Å; I289-V297 HydrophobicContact CD1-CG1 3.67Å; I289-V297 HydrophobicContact CG1-CG1 3.76Å; I289-L298 VanDerWaalsContact CA-O 3.3Å; I289-L298 WeakPolarHBondContact CA-O 3.49Å; I289-L298 WeakPolarHBondContact CG1-O 3.47Å; I289-V299 HydrophobicContact CD1-CG2 3.89Å; I289-V299 HydrophobicContact CG1-CB 4.48Å; I289-V299 HydrophobicContact CG1-CG2 3.95Å; I289-L428 HydrophobicContact CD1-CD2 3.83Å; I289-L428 HydrophobicContact CG1-CD2 3.74Å; I289-L428 HydrophobicContact CG2-CD2 4.27Å; I289-F438 HydrophobicContact CD1-CE2 4.33Å; I289-F438 HydrophobicContact CD1-CZ 4.19Å; I289-F438 HydrophobicContact CG2-CD2 3.54Å; I289-F438 HydrophobicContact CG2-CE2 3.79Å; I289-F438 HydrophobicContact CG2-CG 4.17Å |
| 290 | T | 96 | Very high | 88.6 | Confident | 5 Ų | 5 | 24.5 Ų | 24.5 | 3% | 0.031 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | -175.9 | 174.9 | -166.7 | 0 | 0 | 0 | 0 | 110.1 | L298 F300 A334 F336 W343 | T290-L298 HydrophobicContact CG2-CB 4.41Å; T290-L298 PolarHBondContact N-O 3.26Å; T290-L298 PolarHBondContact O-N 3.12Å; T290-F300 HydrophobicContact CG2-CE2 3.98Å; T290-A334 HydrophobicContact CG2-CB 4.03Å; T290-F336 PolarHBondContact OG1-N 3.46Å; T290-W343 HydrophobicContact CG2-CE3 4.43Å; T290-W343 HydrophobicContact CG2-CZ3 3.69Å |
| 291 | V | 96 | Very high | 89.2 | Confident | 15 Ų | 15 | 25 Ų | 25 | 9% | 0.091 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 143.8 | -177.1 | 69.1 | 0 | 0 | 0 | 0 | 109.8 | Q295 T296 V297 F336 L428 | V291-Q295 VanDerWaalsContact CG2-C 3.5Å; V291-Q295 HydrophobicContact CG2-CB 4.48Å; V291-T296 WeakPolarHBondContact CA-O 3.06Å; V291-T296 WeakPolarHBondContact CG2-O 3.26Å; V291-V297 HydrophobicContact CG2-CG2 4.36Å; V291-F336 WeakPolarHBondContact O-CB 3.14Å; V291-L428 HydrophobicContact CB-CB 4.19Å; V291-L428 HydrophobicContact CG1-CB 3.98Å |
| 292 | D | 94.4 | Very high | 89.1 | Confident | 22 Ų | 22 | 25.4 Ų | 25.4 | 12% | 0.118 | 13% | 0.125 | C | C | . | . | trans | -89.3 | -179.1 | 174.7 | 72.5 | 8.2 | 0 | 0 | 0 | 113.6 | K294 Q295 T296 L298 W343 | D292-K294 PolarHBondContact O-N 3.12Å; D292-K294 VanDerWaalsContact OD1-C 3.3Å; D292-K294 WeakPolarHBondContact OD1-CA 3.24Å; D292-K294 WeakPolarHBondContact OD1-CB 3.37Å; D292-K294 PolarHBondContact OD1-N 2.93Å; D292-Q295 PolarHBondContact O-N 3Å; D292-Q295 VanDerWaalsContact O-N 3.09Å; D292-Q295 PolarHBondContact OD1-N 3.15Å; D292-Q295 VanDerWaalsContact OD1-N 3.11Å; D292-T296 PolarHBondContact N-O 2.89Å; D292-T296 VanDerWaalsContact OD1-CB 3.3Å; D292-T296 WeakPolarHBondContact OD1-CB 3.46Å; D292-T296 PolarHBondContact OD1-N 3.47Å; D292-T296 PolarHBondContact OD1-OG1 3.25Å; D292-T296 WeakPolarHBondContact OD2-CB 3.48Å; D292-L298 HydrophobicContact CB-CD1 4.41Å; D292-W343 HydrophobicContact CB-CH2 3.64Å; D292-W343 HydrophobicContact CB-CZ2 3.67Å | ||
| 293 | E | 92.4 | Very high | 89.1 | Confident | 122 Ų | 122 | 26 Ų | 26 | 57% | 0.57 | 13% | 0.13 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -29 | 176.1 | 67.7 | -169.7 | -177.5 | 0 | 0 | 113.5 | Q295 F336 | E293-Q295 VanDerWaalsContact C-N 3.28Å; E293-Q295 PolarHBondContact O-N 3.15Å; E293-F336 HydrophobicContact CB-CE1 3.75Å; E293-F336 HydrophobicContact CB-CZ 3.92Å; E293-F336 HydrophobicContact CG-CZ 4.41Å |
| 294 | K | 93.4 | Very high | 89.8 | Confident | 145 Ų | 145 | 26.4 Ų | 26.4 | 63% | 0.63 | 13% | 0.129 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | 10.3 | -180 | -57.8 | -174.5 | -178.2 | 180 | 0 | 112.6 | D292 T296 P310 | D292-K294 PolarHBondContact O-N 3.12Å; D292-K294 VanDerWaalsContact OD1-C 3.3Å; D292-K294 WeakPolarHBondContact OD1-CA 3.24Å; D292-K294 WeakPolarHBondContact OD1-CB 3.37Å; D292-K294 PolarHBondContact OD1-N 2.93Å; K294-T296 PolarHBondContact O-N 3.23Å; K294-P310 WeakPolarHBondContact O-CG 3.49Å |
| 295 | Q | 93.9 | Very high | 90.9 | Very high | 55 Ų | 55 | 26.3 Ų | 26.3 | 26% | 0.257 | 13% | 0.128 | S | C | . | . | trans | 63.9 | 17.5 | -176.3 | -62.2 | -64.7 | -47.9 | 0 | 0 | 114.6 | V291 D292 E293 V297 P310 R430 P431 | V291-Q295 VanDerWaalsContact CG2-C 3.5Å; V291-Q295 HydrophobicContact CG2-CB 4.48Å; D292-Q295 PolarHBondContact O-N 3Å; D292-Q295 VanDerWaalsContact O-N 3.09Å; D292-Q295 PolarHBondContact OD1-N 3.15Å; D292-Q295 VanDerWaalsContact OD1-N 3.11Å; E293-Q295 VanDerWaalsContact C-N 3.28Å; E293-Q295 PolarHBondContact O-N 3.15Å; Q295-V297 PolarHBondContact O-N 3.15Å; Q295-P310 HydrophobicContact CB-CG 4.24Å; Q295-R430 PolarHBondContact O-NH1 3.02Å; Q295-P431 HydrophobicContact CG-CG 3.9Å; Q295-P431 VanDerWaalsContact OE1-CD 3.3Å | ||
| 296 | T | 96 | Very high | 91.9 | Very high | 25 Ų | 25 | 25.4 Ų | 25.4 | 15% | 0.153 | 12% | 0.123 | C | C | . | . | trans | -73.7 | 124.2 | 171.2 | -54.1 | 0 | 0 | 0 | 0 | 108.3 | V291 D292 K294 L298 T307 V308 | V291-T296 WeakPolarHBondContact CA-O 3.06Å; V291-T296 WeakPolarHBondContact CG2-O 3.26Å; D292-T296 PolarHBondContact N-O 2.89Å; D292-T296 VanDerWaalsContact OD1-CB 3.3Å; D292-T296 WeakPolarHBondContact OD1-CB 3.46Å; D292-T296 PolarHBondContact OD1-N 3.47Å; D292-T296 PolarHBondContact OD1-OG1 3.25Å; D292-T296 WeakPolarHBondContact OD2-CB 3.48Å; K294-T296 PolarHBondContact O-N 3.23Å; T296-L298 HydrophobicContact CG2-CD1 4.39Å; T296-L298 VanDerWaalsContact O-CD1 3.25Å; T296-L298 WeakPolarHBondContact O-CD1 3.39Å; T296-T307 HydrophobicContact CG2-CG2 4.38Å; T296-V308 CarbonylContact C-O 3.52Å; T296-V308 WeakPolarHBondContact CA-O 3.35Å; T296-V308 WeakPolarHBondContact CG2-O 3.36Å | ||
| 297 | V | 96.5 | Very high | 92.3 | Very high | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.006 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 131 | 179.2 | 176.5 | 0 | 0 | 0 | 0 | 109.1 | I289 V291 Q295 V299 T307 V308 L428 W465 | I289-V297 HydrophobicContact CD1-CG1 3.67Å; I289-V297 HydrophobicContact CG1-CG1 3.76Å; V291-V297 HydrophobicContact CG2-CG2 4.36Å; Q295-V297 PolarHBondContact O-N 3.15Å; V297-V299 HydrophobicContact CG1-CG2 4.11Å; V297-T307 CarbonylContact O-C 3.6Å; V297-T307 VanDerWaalsContact O-CA 3.31Å; V297-T307 WeakPolarHBondContact O-CA 3.36Å; V297-V308 HydrophobicContact CB-CB 4.18Å; V297-V308 PolarHBondContact N-O 3.1Å; V297-V308 PolarHBondContact O-N 3.14Å; V297-L428 HydrophobicContact CG1-CD2 4.06Å; V297-L428 HydrophobicContact CG2-CD2 4.49Å; V297-W465 HydrophobicContact CG1-CZ3 4.49Å; V297-W465 HydrophobicContact CG2-CE3 3.9Å; V297-W465 HydrophobicContact CG2-CZ3 4.03Å |
| 298 | L | 96.5 | Very high | 92.7 | Very high | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.005 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 120.9 | 175.3 | -71.2 | 76.8 | 0 | 0 | 0 | 109.4 | I289 T290 D292 T296 F300 F305 W306 T307 W324 W343 | I289-L298 VanDerWaalsContact CA-O 3.3Å; I289-L298 WeakPolarHBondContact CA-O 3.49Å; I289-L298 WeakPolarHBondContact CG1-O 3.47Å; T290-L298 HydrophobicContact CG2-CB 4.41Å; T290-L298 PolarHBondContact N-O 3.26Å; T290-L298 PolarHBondContact O-N 3.12Å; D292-L298 HydrophobicContact CB-CD1 4.41Å; T296-L298 HydrophobicContact CG2-CD1 4.39Å; T296-L298 VanDerWaalsContact O-CD1 3.25Å; T296-L298 WeakPolarHBondContact O-CD1 3.39Å; L298-F300 HydrophobicContact CB-CD2 4.43Å; L298-F300 HydrophobicContact CB-CE2 3.52Å; L298-F300 HydrophobicContact CB-CZ 3.8Å; L298-F300 HydrophobicContact CD2-CE2 4.41Å; L298-F300 HydrophobicContact CD2-CZ 3.85Å; L298-F300 HydrophobicContact CG-CZ 4.5Å; L298-F305 HydrophobicContact CD2-CD2 4.33Å; L298-F305 HydrophobicContact CD2-CE2 4.38Å; L298-W306 WeakPolarHBondContact CA-O 3.23Å; L298-T307 HydrophobicContact CG-CG2 4.24Å; L298-W324 HydrophobicContact CD2-CH2 3.87Å; L298-W343 HydrophobicContact CD1-CH2 3.64Å; L298-W343 HydrophobicContact CD1-CZ3 4.35Å; L298-W343 HydrophobicContact CD2-CH2 3.6Å; L298-W343 HydrophobicContact CD2-CZ2 4.25Å; L298-W343 HydrophobicContact CD2-CZ3 3.92Å; L298-W343 HydrophobicContact CG-CH2 4.22Å |
| 299 | V | 94.8 | Very high | 92.7 | Very high | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.006 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 123.9 | 177.8 | -163.7 | 0 | 0 | 0 | 0 | 109.2 | Y281 F286 I289 V297 F305 W306 | Y281-V299 HydrophobicContact CD1-CB 4.16Å; Y281-V299 HydrophobicContact CD1-CG1 4.29Å; Y281-V299 HydrophobicContact CD1-CG2 4.46Å; Y281-V299 HydrophobicContact CD2-CB 4.05Å; Y281-V299 HydrophobicContact CD2-CG1 3.75Å; Y281-V299 HydrophobicContact CD2-CG2 3.81Å; Y281-V299 HydrophobicContact CE1-CB 4.48Å; Y281-V299 HydrophobicContact CE1-CG2 4.4Å; Y281-V299 HydrophobicContact CE2-CB 4.46Å; Y281-V299 HydrophobicContact CE2-CG2 3.82Å; Y281-V299 HydrophobicContact CG-CB 3.94Å; Y281-V299 HydrophobicContact CG-CG1 3.63Å; Y281-V299 HydrophobicContact CG-CG2 4.2Å; F286-V299 HydrophobicContact CB-CG1 3.64Å; F286-V299 HydrophobicContact CD1-CG1 4.22Å; F286-V299 HydrophobicContact CD2-CG1 4.29Å; F286-V299 HydrophobicContact CG-CG1 3.82Å; I289-V299 HydrophobicContact CD1-CG2 3.89Å; I289-V299 HydrophobicContact CG1-CB 4.48Å; I289-V299 HydrophobicContact CG1-CG2 3.95Å; V297-V299 HydrophobicContact CG1-CG2 4.11Å; V299-F305 CarbonylContact O-C 3.47Å; V299-F305 WeakPolarHBondContact O-CA 3.42Å; V299-F305 VanDerWaalsContact O-CB 3.32Å; V299-F305 WeakPolarHBondContact O-CB 3.44Å; V299-W306 PolarHBondContact N-O 3.4Å; V299-W306 PolarHBondContact O-N 2.83Å |
| 300 | F | 92.6 | Very high | 92.4 | Very high | 1 Ų | 1 | 30.1 Ų | 30.1 | 0% | 0.004 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 132.4 | -173.4 | -61.6 | -94.4 | 0 | 0 | 0 | 110.9 | F286 D287 A288 T290 L298 F305 L320 W324 I331 A334 F345 | F286-F300 WeakPolarHBondContact CB-O 3.46Å; D287-F300 PolarHBondContact N-O 3.49Å; A288-F300 HydrophobicContact CB-CB 4.31Å; A288-F300 HydrophobicContact CB-CD2 4.28Å; A288-F300 PolarHBondContact N-O 3.25Å; A288-F300 PolarHBondContact O-N 2.84Å; T290-F300 HydrophobicContact CG2-CE2 3.98Å; L298-F300 HydrophobicContact CB-CD2 4.43Å; L298-F300 HydrophobicContact CB-CE2 3.52Å; L298-F300 HydrophobicContact CB-CZ 3.8Å; L298-F300 HydrophobicContact CD2-CE2 4.41Å; L298-F300 HydrophobicContact CD2-CZ 3.85Å; L298-F300 HydrophobicContact CG-CZ 4.5Å; F300-F305 HydrophobicContact CD1-CB 3.55Å; F300-F305 HydrophobicContact CD1-CG 4.25Å; F300-F305 HydrophobicContact CE1-CB 3.85Å; F300-F305 HydrophobicContact CE1-CD2 4.49Å; F300-F305 HydrophobicContact CE1-CG 4.07Å; F300-F305 HydrophobicContact CG-CB 4.11Å; F300-L320 HydrophobicContact CD1-CD1 3.75Å; F300-L320 HydrophobicContact CE1-CD1 3.75Å; F300-W324 HydrophobicContact CE1-CH2 4.32Å; F300-W324 AromaticContact CE1-CZ3 3.85Å; F300-W324 HydrophobicContact CE1-CZ3 3.85Å; F300-W324 HydrophobicContact CZ-CH2 4.33Å; F300-W324 HydrophobicContact CZ-CZ3 4.32Å; F300-I331 HydrophobicContact CB-CD1 3.96Å; F300-I331 HydrophobicContact CB-CG1 4.19Å; F300-I331 HydrophobicContact CD1-CD1 3.61Å; F300-I331 HydrophobicContact CD1-CG1 4.41Å; F300-I331 HydrophobicContact CD2-CD1 4.18Å; F300-I331 HydrophobicContact CE1-CD1 4.12Å; F300-I331 HydrophobicContact CG-CD1 3.65Å; F300-I331 HydrophobicContact CG-CG1 4.39Å; F300-A334 HydrophobicContact CD2-CB 4.23Å; F300-A334 HydrophobicContact CE2-CB 3.95Å; F300-A334 HydrophobicContact CZ-CB 4.43Å; F300-F345 AromaticContact CE1-CE1 3.91Å; F300-F345 HydrophobicContact CE1-CE1 3.91Å; F300-F345 AromaticContact CZ-CE1 3.87Å; F300-F345 HydrophobicContact CZ-CE1 3.87Å |
| 301 | R | 86.4 | Confident | 91.8 | Very high | 20 Ų | 20 | 37.1 Ų | 37.1 | 8% | 0.075 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 121 | 171.7 | -171.6 | -177.2 | -178.1 | 159.3 | -8.7 | 109.9 | E267 L280 I285 D287 S303 R304 W306 | E267-R301 IonicContact OE1-CZ 3.61Å; E267-R301 IonicContact OE1-NE 3.18Å; E267-R301 IonicContact OE1-NH2 3.11Å; E267-R301 PolarHBondContact OE1-NH2 3.41Å; L280-R301 PolarHBondContact O-NH1 3.23Å; L280-R301 VanDerWaalsContact O-NH1 3.13Å; I285-R301 VanDerWaalsContact CG2-CZ 3.49Å; I285-R301 WeakPolarHBondContact O-CD 3.45Å; I285-R301 PolarHBondContact O-NH1 3.28Å; I285-R301 VanDerWaalsContact O-NH1 3.1Å; D287-R301 WeakPolarHBondContact OD2-CA 3.12Å; R301-S303 PolarHBondContact O-N 2.85Å; R301-R304 CarbonylContact C-O 3.55Å; R301-R304 PolarHBondContact N-O 3.29Å; R301-R304 PolarHBondContact O-N 3.41Å; R301-R304 VanDerWaalsContact O-N 3.09Å; R301-W306 HydrophobicContact CB-CH2 4.26Å; R301-W306 HydrophobicContact CB-CZ3 3.79Å |
| 302 | G | 79.4 | Confident | 91.3 | Very high | 8 Ų | 8 | 37.3 Ų | 37.3 | 8% | 0.082 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.4 | -134.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | D287 R304 R329 A330 | D287-G302 PolarHBondContact OD2-N 3.14Å; G302-R304 PolarHBondContact O-N 2.99Å; G302-R329 CarbonylContact C-O 3.52Å; G302-R329 VanDerWaalsContact C-O 3.28Å; G302-A330 VanDerWaalsContact C-CB 3.43Å; G302-A330 WeakPolarHBondContact O-CA 3.4Å; G302-A330 VanDerWaalsContact O-CB 3.22Å; G302-A330 WeakPolarHBondContact O-CB 3.41Å |
| 303 | S | 83.5 | Confident | 91 | Very high | 33 Ų | 33 | 40.1 Ų | 40.1 | 23% | 0.231 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | 10.5 | 179.5 | 62.2 | 0 | 0 | 0 | 0 | 114.6 | Q264 R301 L320 R329 | Q264-S303 PolarHBondContact NE2-OG 2.96Å; R301-S303 PolarHBondContact O-N 2.85Å; S303-L320 WeakPolarHBondContact O-CB 3.18Å; S303-L320 PolarHBondContact O-N 3.49Å; S303-R329 WeakPolarHBondContact CA-O 3.48Å; S303-R329 VanDerWaalsContact CB-O 3.26Å; S303-R329 WeakPolarHBondContact CB-O 3.24Å; S303-R329 PolarHBondContact N-O 3.27Å; S303-R329 VanDerWaalsContact N-O 3.15Å |
| 304 | R | 88.6 | Confident | 90.9 | Very high | 62 Ų | 62 | 36.7 Ų | 36.7 | 23% | 0.234 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 159 | -175.9 | -69.4 | 171.7 | 179.1 | -93.5 | 11.2 | 111.3 | F268 R301 G302 P317 L318 L319 | F268-R304 VanDerWaalsContact CE1-NH2 3.3Å; F268-R304 HydrophobicContact CE2-CG 4.43Å; F268-R304 VanDerWaalsContact CZ-NE 3.26Å; R301-R304 CarbonylContact C-O 3.55Å; R301-R304 PolarHBondContact N-O 3.29Å; R301-R304 PolarHBondContact O-N 3.41Å; R301-R304 VanDerWaalsContact O-N 3.09Å; G302-R304 PolarHBondContact O-N 2.99Å; R304-P317 PolarHBondContact NH1-O 3.39Å; R304-L318 CarbonylContact C-O 3.51Å; R304-L318 WeakPolarHBondContact CA-O 3.29Å; R304-L318 WeakPolarHBondContact CB-O 3.38Å; R304-L319 HydrophobicContact CG-CD2 4.08Å |
| 305 | F | 93.3 | Very high | 90.8 | Very high | 1 Ų | 1 | 31.4 Ų | 31.4 | 0% | 0.004 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 157.7 | 171.3 | 71.9 | -78.7 | 0 | 0 | 0 | 109.8 | L298 V299 F300 T307 L318 L320 R323 W324 | L298-F305 HydrophobicContact CD2-CD2 4.33Å; L298-F305 HydrophobicContact CD2-CE2 4.38Å; V299-F305 CarbonylContact O-C 3.47Å; V299-F305 WeakPolarHBondContact O-CA 3.42Å; V299-F305 VanDerWaalsContact O-CB 3.32Å; V299-F305 WeakPolarHBondContact O-CB 3.44Å; F300-F305 HydrophobicContact CD1-CB 3.55Å; F300-F305 HydrophobicContact CD1-CG 4.25Å; F300-F305 HydrophobicContact CE1-CB 3.85Å; F300-F305 HydrophobicContact CE1-CD2 4.49Å; F300-F305 HydrophobicContact CE1-CG 4.07Å; F300-F305 HydrophobicContact CG-CB 4.11Å; F305-T307 HydrophobicContact CD2-CG2 4.25Å; F305-T307 HydrophobicContact CE2-CG2 3.87Å; F305-L318 HydrophobicContact CD1-CB 4.03Å; F305-L318 WeakPolarHBondContact CD1-O 3.32Å; F305-L318 HydrophobicContact CE1-CB 3.53Å; F305-L318 HydrophobicContact CE1-CD1 4.46Å; F305-L318 HydrophobicContact CE2-CB 4.1Å; F305-L318 HydrophobicContact CE2-CD1 3.69Å; F305-L318 HydrophobicContact CG-CB 4.5Å; F305-L318 HydrophobicContact CZ-CB 3.55Å; F305-L318 HydrophobicContact CZ-CD1 3.62Å; F305-L318 HydrophobicContact CZ-CG 4.24Å; F305-L318 PolarHBondContact N-O 3.26Å; F305-L318 PolarHBondContact O-N 3.27Å; F305-L320 HydrophobicContact CD1-CD1 4.35Å; F305-R323 HydrophobicContact CE1-CB 4.15Å; F305-R323 HydrophobicContact CZ-CB 4.12Å; F305-R323 HydrophobicContact CZ-CG 4.47Å; F305-W324 HydrophobicContact CD1-CZ3 4.25Å; F305-W324 AromaticContact CE1-CZ3 3.96Å; F305-W324 HydrophobicContact CE1-CZ3 3.96Å; F305-W324 HydrophobicContact CE2-CZ3 4.31Å; F305-W324 HydrophobicContact CZ-CH2 4.48Å; F305-W324 HydrophobicContact CZ-CZ3 4.01Å |
| 306 | W | 93.9 | Very high | 90.4 | Very high | 7 Ų | 7 | 35.3 Ų | 35.3 | 3% | 0.027 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 148 | 174.2 | -63.2 | -101.4 | 0 | 0 | 0 | 108.5 | F268 L280 Y281 L298 V299 R301 V314 P317 | F268-W306 HydrophobicContact CE2-CZ2 4.33Å; L280-W306 HydrophobicContact CB-CH2 4Å; L280-W306 HydrophobicContact CB-CZ2 3.95Å; L280-W306 HydrophobicContact CD1-CH2 4.34Å; L280-W306 HydrophobicContact CD1-CZ2 4.22Å; L280-W306 HydrophobicContact CG-CH2 4.42Å; L280-W306 HydrophobicContact CG-CZ2 4.05Å; Y281-W306 HydrophobicContact CD1-CB 4.01Å; Y281-W306 AromaticContact CD1-CD2 3.56Å; Y281-W306 HydrophobicContact CD1-CD2 3.56Å; Y281-W306 AromaticContact CD1-CE3 3.62Å; Y281-W306 HydrophobicContact CD1-CE3 3.62Å; Y281-W306 AromaticContact CD1-CG 3.73Å; Y281-W306 HydrophobicContact CD1-CG 3.73Å; Y281-W306 HydrophobicContact CD1-CZ3 4.33Å; Y281-W306 HydrophobicContact CE1-CB 3.53Å; Y281-W306 AromaticContact CE1-CD2 3.92Å; Y281-W306 HydrophobicContact CE1-CD2 3.92Å; Y281-W306 HydrophobicContact CE1-CE3 4.35Å; Y281-W306 AromaticContact CE1-CG 3.55Å; Y281-W306 HydrophobicContact CE1-CG 3.55Å; Y281-W306 HydrophobicContact CG-CE3 4.48Å; L298-W306 WeakPolarHBondContact CA-O 3.23Å; V299-W306 PolarHBondContact N-O 3.4Å; V299-W306 PolarHBondContact O-N 2.83Å; R301-W306 HydrophobicContact CB-CH2 4.26Å; R301-W306 HydrophobicContact CB-CZ3 3.79Å; W306-V314 HydrophobicContact CB-CG1 4.27Å; W306-P317 HydrophobicContact CZ2-CB 3.87Å |
| 307 | T | 95.2 | Very high | 90 | Very high | 28 Ų | 28 | 35.7 Ų | 35.7 | 17% | 0.172 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 134.3 | 167.7 | 58.6 | 0 | 0 | 0 | 0 | 108.9 | T296 V297 L298 F305 S315 L318 | T296-T307 HydrophobicContact CG2-CG2 4.38Å; V297-T307 CarbonylContact O-C 3.6Å; V297-T307 VanDerWaalsContact O-CA 3.31Å; V297-T307 WeakPolarHBondContact O-CA 3.36Å; L298-T307 HydrophobicContact CG-CG2 4.24Å; F305-T307 HydrophobicContact CD2-CG2 4.25Å; F305-T307 HydrophobicContact CE2-CG2 3.87Å; T307-S315 PolarHBondContact N-OG 3.41Å; T307-S315 PolarHBondContact O-N 3.15Å; T307-S315 VanDerWaalsContact OG1-CB 3.25Å; T307-S315 WeakPolarHBondContact OG1-CB 3.38Å; T307-S315 PolarHBondContact OG1-OG 2.69Å; T307-L318 HydrophobicContact CG2-CD1 4.35Å |
| 308 | V | 95.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 119.4 | 171.2 | -166.1 | 0 | 0 | 0 | 0 | 107.7 | Y281 T296 V297 S313 V314 W465 | Y281-V308 WeakPolarHBondContact OH-CG2 3.25Å; T296-V308 CarbonylContact C-O 3.52Å; T296-V308 WeakPolarHBondContact CA-O 3.35Å; T296-V308 WeakPolarHBondContact CG2-O 3.36Å; V297-V308 HydrophobicContact CB-CB 4.18Å; V297-V308 PolarHBondContact N-O 3.1Å; V297-V308 PolarHBondContact O-N 3.14Å; V308-S313 CarbonylContact C-O 3.56Å; V308-S313 WeakPolarHBondContact CA-O 3.35Å; V308-V314 HydrophobicContact CG1-CG2 4.19Å; V308-V314 HydrophobicContact CG2-CG1 4.48Å; V308-V314 HydrophobicContact CG2-CG2 4.23Å; V308-W465 WeakPolarHBondContact CG1-O 3.48Å |
| 309 | S | 92.9 | Very high | 89.5 | Confident | 27 Ų | 27 | 42.3 Ų | 42.3 | 19% | 0.189 | 24% | 0.242 | C | C | . | . | trans | -65.4 | 162.1 | 178.1 | 81.3 | 0 | 0 | 0 | 0 | 110.8 | E311 G312 S313 | S309-E311 WeakPolarHBondContact CB-OE2 3.44Å; S309-E311 PolarHBondContact O-N 3.15Å; S309-E311 VanDerWaalsContact O-N 3.13Å; S309-E311 PolarHBondContact OG-N 3.19Å; S309-E311 PolarHBondContact OG-OE2 3.28Å; S309-G312 PolarHBondContact O-N 3.46Å; S309-S313 PolarHBondContact N-O 3.04Å; S309-S313 PolarHBondContact OG-N 3.31Å | ||
| 310 | P | 88.8 | Confident | 89.4 | Confident | 54 Ų | 54 | 42.3 Ų | 42.3 | 35% | 0.351 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -29.4 | 174.1 | -27 | 36.8 | 0 | 0 | 0 | 113.8 | K294 Q295 G312 | K294-P310 WeakPolarHBondContact O-CG 3.49Å; Q295-P310 HydrophobicContact CB-CG 4.24Å; P310-G312 VanDerWaalsContact C-N 3.26Å; P310-G312 PolarHBondContact O-N 3.33Å |
| 311 | E | 85.1 | Confident | 89.4 | Confident | 152 Ų | 152 | 48.8 Ų | 48.8 | 71% | 0.71 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | -8 | 177.5 | -52.1 | 70.6 | -145.1 | 0 | 0 | 113 | S309 | S309-E311 WeakPolarHBondContact CB-OE2 3.44Å; S309-E311 PolarHBondContact O-N 3.15Å; S309-E311 VanDerWaalsContact O-N 3.13Å; S309-E311 PolarHBondContact OG-N 3.19Å; S309-E311 PolarHBondContact OG-OE2 3.28Å |
| 312 | G | 84.9 | Confident | 89.8 | Confident | 19 Ų | 19 | 54.9 Ų | 54.9 | 20% | 0.196 | 30% | 0.295 | C | S | . | . | trans | 92.9 | 5.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | S309 P310 G467 | S309-G312 PolarHBondContact O-N 3.46Å; P310-G312 VanDerWaalsContact C-N 3.26Å; P310-G312 PolarHBondContact O-N 3.33Å; G312-G467 WeakPolarHBondContact O-CA 3.27Å | ||
| 313 | S | 88.3 | Confident | 90.5 | Very high | 81 Ų | 81 | 58.5 Ų | 58.5 | 57% | 0.566 | 31% | 0.306 | S | S | * | . | P | Polyproline II helix | trans | -74.1 | 130.8 | 176.9 | -56.7 | 0 | 0 | 0 | 0 | 111 | V308 S309 | V308-S313 CarbonylContact C-O 3.56Å; V308-S313 WeakPolarHBondContact CA-O 3.35Å; S309-S313 PolarHBondContact N-O 3.04Å; S309-S313 PolarHBondContact OG-N 3.31Å |
| 314 | V | 90.9 | Very high | 91.2 | Very high | 49 Ų | 49 | 57 Ų | 57 | 30% | 0.297 | 30% | 0.295 | S | S | . | . | B | Isolated β-bridge | trans | -100.9 | 135.9 | -177.7 | -169.1 | 0 | 0 | 0 | 0 | 110.9 | P279 Y281 W306 V308 G467 | P279-V314 HydrophobicContact CB-CG1 4.31Å; P279-V314 HydrophobicContact CG-CB 4.06Å; P279-V314 HydrophobicContact CG-CG1 3.51Å; P279-V314 HydrophobicContact CG-CG2 4.11Å; Y281-V314 HydrophobicContact CE1-CG1 4.22Å; W306-V314 HydrophobicContact CB-CG1 4.27Å; V308-V314 HydrophobicContact CG1-CG2 4.19Å; V308-V314 HydrophobicContact CG2-CG1 4.48Å; V308-V314 HydrophobicContact CG2-CG2 4.23Å; V314-G467 WeakPolarHBondContact CG2-O 3.43Å |
| 315 | S | 90.4 | Very high | 91.4 | Very high | 34 Ų | 34 | 57.7 Ų | 57.7 | 24% | 0.238 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -74.9 | 162.9 | 171.9 | 73.1 | 0 | 0 | 0 | 0 | 112.4 | T307 | T307-S315 PolarHBondContact N-OG 3.41Å; T307-S315 PolarHBondContact O-N 3.15Å; T307-S315 VanDerWaalsContact OG1-CB 3.25Å; T307-S315 WeakPolarHBondContact OG1-CB 3.38Å; T307-S315 PolarHBondContact OG1-OG 2.69Å |
| 316 | D | 85.8 | Confident | 91.3 | Very high | 137 Ų | 137 | 59.5 Ų | 59.5 | 73% | 0.733 | 33% | 0.327 | S | S | * | . | P | Polyproline II helix | trans | -57.8 | 156.9 | 158.5 | -74.9 | -47 | 0 | 0 | 0 | 112 | L318 | D316-L318 PolarHBondContact O-N 3.18Å; D316-L318 VanDerWaalsContact O-N 3.13Å |
| 317 | P | 87.7 | Confident | 91.4 | Very high | 33 Ų | 33 | 59.4 Ų | 59.4 | 21% | 0.214 | 33% | 0.327 | C | S | . | . | trans | -65.8 | 109.5 | 178.8 | 22.2 | -30.9 | 0 | 0 | 0 | 112.2 | F268 R304 W306 | F268-P317 HydrophobicContact CE2-CB 4.01Å; F268-P317 HydrophobicContact CE2-CG 4.24Å; F268-P317 HydrophobicContact CZ-CB 3.86Å; F268-P317 HydrophobicContact CZ-CG 3.64Å; R304-P317 PolarHBondContact NH1-O 3.39Å; W306-P317 HydrophobicContact CZ2-CB 3.87Å | ||
| 318 | L | 91.2 | Very high | 91.1 | Very high | 67 Ų | 67 | 59.7 Ų | 59.7 | 35% | 0.351 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 146.7 | -178.7 | -60.8 | 173.6 | 0 | 0 | 0 | 111.8 | R304 F305 T307 D316 | R304-L318 CarbonylContact C-O 3.51Å; R304-L318 WeakPolarHBondContact CA-O 3.29Å; R304-L318 WeakPolarHBondContact CB-O 3.38Å; F305-L318 HydrophobicContact CD1-CB 4.03Å; F305-L318 WeakPolarHBondContact CD1-O 3.32Å; F305-L318 HydrophobicContact CE1-CB 3.53Å; F305-L318 HydrophobicContact CE1-CD1 4.46Å; F305-L318 HydrophobicContact CE2-CB 4.1Å; F305-L318 HydrophobicContact CE2-CD1 3.69Å; F305-L318 HydrophobicContact CG-CB 4.5Å; F305-L318 HydrophobicContact CZ-CB 3.55Å; F305-L318 HydrophobicContact CZ-CD1 3.62Å; F305-L318 HydrophobicContact CZ-CG 4.24Å; F305-L318 PolarHBondContact N-O 3.26Å; F305-L318 PolarHBondContact O-N 3.27Å; T307-L318 HydrophobicContact CG2-CD1 4.35Å; D316-L318 PolarHBondContact O-N 3.18Å; D316-L318 VanDerWaalsContact O-N 3.13Å |
| 319 | L | 90.7 | Very high | 90.5 | Very high | 75 Ų | 75 | 65.8 Ų | 65.8 | 39% | 0.393 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 125.1 | 176.9 | -72.1 | 173.3 | 0 | 0 | 0 | 111.7 | R304 R321 Q322 R323 | R304-L319 HydrophobicContact CG-CD2 4.08Å; L319-R321 PolarHBondContact O-N 2.98Å; L319-Q322 HydrophobicContact CB-CB 3.75Å; L319-Q322 WeakPolarHBondContact O-CB 3.37Å; L319-Q322 PolarHBondContact O-N 3.36Å; L319-Q322 VanDerWaalsContact O-N 3.09Å; L319-R323 PolarHBondContact O-N 2.97Å |
| 320 | L | 92.8 | Very high | 90.2 | Very high | 1 Ų | 1 | 64.6 Ų | 64.6 | 1% | 0.005 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -55.9 | -49 | -178.8 | -177.4 | 69.5 | 0 | 0 | 0 | 112 | F300 S303 F305 Q322 R323 W324 L327 I331 | F300-L320 HydrophobicContact CD1-CD1 3.75Å; F300-L320 HydrophobicContact CE1-CD1 3.75Å; S303-L320 WeakPolarHBondContact O-CB 3.18Å; S303-L320 PolarHBondContact O-N 3.49Å; F305-L320 HydrophobicContact CD1-CD1 4.35Å; L320-Q322 VanDerWaalsContact C-N 3.28Å; L320-Q322 PolarHBondContact O-N 3.25Å; L320-R323 PolarHBondContact O-N 2.75Å; L320-W324 HydrophobicContact CD1-CE3 3.78Å; L320-W324 HydrophobicContact CD1-CZ3 4.05Å; L320-W324 PolarHBondContact O-N 2.89Å; L320-L327 HydrophobicContact CD1-CD1 3.83Å; L320-L327 HydrophobicContact CD2-CB 4.42Å; L320-L327 HydrophobicContact CD2-CD1 4.22Å; L320-L327 HydrophobicContact CG-CD1 3.95Å; L320-I331 HydrophobicContact CD2-CG2 4.12Å |
| 321 | R | 93.2 | Very high | 90.4 | Very high | 136 Ų | 136 | 62.1 Ų | 62.1 | 51% | 0.513 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -77.8 | -10.8 | -178.5 | -69.3 | -173.7 | 67.1 | -144.1 | -2 | 113.9 | L319 P325 L327 | L319-R321 PolarHBondContact O-N 2.98Å; R321-P325 PolarHBondContact NE-O 3.06Å; R321-P325 PolarHBondContact NH2-O 3.11Å; R321-P325 WeakPolarHBondContact O-CA 3.44Å; R321-L327 WeakPolarHBondContact CD-O 3.35Å; R321-L327 WeakPolarHBondContact CG-O 3.37Å; R321-L327 PolarHBondContact NE-O 2.74Å |
| 322 | Q | 93.3 | Very high | 90.6 | Very high | 149 Ų | 149 | 55.4 Ų | 55.4 | 70% | 0.696 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -74.3 | -41.4 | 170.5 | -174.6 | 179.9 | -0.7 | 0 | 0 | 110.1 | L319 L320 | L319-Q322 HydrophobicContact CB-CB 3.75Å; L319-Q322 WeakPolarHBondContact O-CB 3.37Å; L319-Q322 PolarHBondContact O-N 3.36Å; L319-Q322 VanDerWaalsContact O-N 3.09Å; L320-Q322 VanDerWaalsContact C-N 3.28Å; L320-Q322 PolarHBondContact O-N 3.25Å |
| 323 | R | 95.7 | Very high | 91.1 | Very high | 84 Ų | 84 | 54.5 Ų | 54.5 | 32% | 0.317 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -79.9 | -35.2 | 176.1 | -169.1 | 167.7 | -177.2 | 177.7 | 1.6 | 113.1 | F305 L319 L320 T357 | F305-R323 HydrophobicContact CE1-CB 4.15Å; F305-R323 HydrophobicContact CZ-CB 4.12Å; F305-R323 HydrophobicContact CZ-CG 4.47Å; L319-R323 PolarHBondContact O-N 2.97Å; L320-R323 PolarHBondContact O-N 2.75Å; R323-T357 HydrophobicContact CG-CG2 3.8Å; R323-T357 VanDerWaalsContact O-CB 3.28Å; R323-T357 WeakPolarHBondContact O-CB 3.5Å; R323-T357 WeakPolarHBondContact O-CG2 3.3Å |
| 324 | W | 97.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.261 | C | S | . | . | trans | -133 | 82.4 | -179.5 | -61.5 | -70 | 0 | 0 | 0 | 111.5 | L298 F300 F305 L320 G326 L327 W343 F345 Y354 G356 | L298-W324 HydrophobicContact CD2-CH2 3.87Å; F300-W324 HydrophobicContact CE1-CH2 4.32Å; F300-W324 AromaticContact CE1-CZ3 3.85Å; F300-W324 HydrophobicContact CE1-CZ3 3.85Å; F300-W324 HydrophobicContact CZ-CH2 4.33Å; F300-W324 HydrophobicContact CZ-CZ3 4.32Å; F305-W324 HydrophobicContact CD1-CZ3 4.25Å; F305-W324 AromaticContact CE1-CZ3 3.96Å; F305-W324 HydrophobicContact CE1-CZ3 3.96Å; F305-W324 HydrophobicContact CE2-CZ3 4.31Å; F305-W324 HydrophobicContact CZ-CH2 4.48Å; F305-W324 HydrophobicContact CZ-CZ3 4.01Å; L320-W324 HydrophobicContact CD1-CE3 3.78Å; L320-W324 HydrophobicContact CD1-CZ3 4.05Å; L320-W324 PolarHBondContact O-N 2.89Å; W324-G326 VanDerWaalsContact C-N 3.28Å; W324-G326 PolarHBondContact O-N 2.87Å; W324-G326 VanDerWaalsContact O-N 3.14Å; W324-L327 HydrophobicContact CB-CB 4.43Å; W324-L327 HydrophobicContact CB-CD1 3.53Å; W324-L327 HydrophobicContact CB-CG 3.73Å; W324-L327 HydrophobicContact CD2-CD1 4.28Å; W324-L327 HydrophobicContact CE3-CD1 4.25Å; W324-L327 HydrophobicContact CG-CD1 4.05Å; W324-L327 WeakPolarHBondContact O-CB 3.16Å; W324-L327 PolarHBondContact O-N 3.36Å; W324-L327 VanDerWaalsContact O-N 3.08Å; W324-W343 HydrophobicContact CZ2-CD2 4.16Å; W324-W343 HydrophobicContact CZ2-CG 4.27Å; W324-F345 HydrophobicContact CD2-CE2 4Å; W324-F345 AromaticContact CD2-CZ 3.77Å; W324-F345 HydrophobicContact CD2-CZ 3.77Å; W324-F345 AromaticContact CE2-CE2 3.91Å; W324-F345 AromaticContact CE2-CZ 3.66Å; W324-F345 AromaticContact CE3-CZ 3.98Å; W324-F345 HydrophobicContact CE3-CZ 3.98Å; W324-F345 HydrophobicContact CG-CE2 4.18Å; W324-F345 HydrophobicContact CG-CZ 4.42Å; W324-F345 AromaticContact CH2-CZ 3.93Å; W324-F345 HydrophobicContact CH2-CZ 3.93Å; W324-F345 HydrophobicContact CZ2-CE2 4.38Å; W324-F345 AromaticContact CZ2-CZ 3.74Å; W324-F345 HydrophobicContact CZ2-CZ 3.74Å; W324-F345 HydrophobicContact CZ3-CZ 4.06Å; W324-Y354 HydrophobicContact CB-CD1 4.45Å; W324-Y354 HydrophobicContact CB-CE1 3.94Å; W324-Y354 HydrophobicContact CB-CE2 4.25Å; W324-Y354 AromaticContact CD1-CD1 3.39Å; W324-Y354 AromaticContact CD1-CE1 3.76Å; W324-Y354 AromaticContact CD1-CG 3.54Å; W324-Y354 HydrophobicContact CG-CD1 4.28Å; W324-Y354 HydrophobicContact CG-CE1 4.25Å; W324-Y354 HydrophobicContact CG-CG 4.42Å; W324-G356 PolarHBondContact NE1-O 2.85Å | ||
| 325 | P | 92.4 | Very high | 91.8 | Very high | 77 Ų | 77 | 48.4 Ų | 48.4 | 50% | 0.5 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | -30.4 | -169.4 | -28.1 | 35.9 | 0 | 0 | 0 | 116.6 | R321 L327 | R321-P325 PolarHBondContact NE-O 3.06Å; R321-P325 PolarHBondContact NH2-O 3.11Å; R321-P325 WeakPolarHBondContact O-CA 3.44Å; P325-L327 VanDerWaalsContact C-N 3.33Å |
| 326 | G | 92.4 | Very high | 92.1 | Very high | 39 Ų | 39 | 47.6 Ų | 47.6 | 40% | 0.402 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | W324 W352 Y354 | W324-G326 VanDerWaalsContact C-N 3.28Å; W324-G326 PolarHBondContact O-N 2.87Å; W324-G326 VanDerWaalsContact O-N 3.14Å; G326-W352 PolarHBondContact O-NE1 2.93Å; G326-Y354 VanDerWaalsContact C-OH 3.23Å; G326-Y354 WeakPolarHBondContact CA-OH 3.32Å; G326-Y354 PolarHBondContact N-OH 3.41Å; G326-Y354 VanDerWaalsContact N-OH 3.11Å |
| 327 | L | 94.9 | Very high | 92.6 | Very high | 5 Ų | 5 | 41 Ų | 41 | 3% | 0.026 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -72.8 | 151.7 | 176.4 | -73.3 | -176.9 | 0 | 0 | 0 | 112.1 | L320 R321 W324 P325 I331 F345 W352 Y354 | L320-L327 HydrophobicContact CD1-CD1 3.83Å; L320-L327 HydrophobicContact CD2-CB 4.42Å; L320-L327 HydrophobicContact CD2-CD1 4.22Å; L320-L327 HydrophobicContact CG-CD1 3.95Å; R321-L327 WeakPolarHBondContact CD-O 3.35Å; R321-L327 WeakPolarHBondContact CG-O 3.37Å; R321-L327 PolarHBondContact NE-O 2.74Å; W324-L327 HydrophobicContact CB-CB 4.43Å; W324-L327 HydrophobicContact CB-CD1 3.53Å; W324-L327 HydrophobicContact CB-CG 3.73Å; W324-L327 HydrophobicContact CD2-CD1 4.28Å; W324-L327 HydrophobicContact CE3-CD1 4.25Å; W324-L327 HydrophobicContact CG-CD1 4.05Å; W324-L327 WeakPolarHBondContact O-CB 3.16Å; W324-L327 PolarHBondContact O-N 3.36Å; W324-L327 VanDerWaalsContact O-N 3.08Å; P325-L327 VanDerWaalsContact C-N 3.33Å; L327-I331 HydrophobicContact CD1-CG2 4.41Å; L327-F345 HydrophobicContact CD1-CB 4.47Å; L327-F345 HydrophobicContact CD1-CD1 4.08Å; L327-F345 HydrophobicContact CD1-CD2 3.83Å; L327-F345 HydrophobicContact CD1-CE1 4.22Å; L327-F345 HydrophobicContact CD1-CE2 3.98Å; L327-F345 HydrophobicContact CD1-CG 3.87Å; L327-F345 HydrophobicContact CD1-CZ 4.17Å; L327-F345 HydrophobicContact CD2-CB 3.66Å; L327-F345 HydrophobicContact CD2-CD2 3.82Å; L327-F345 HydrophobicContact CD2-CG 3.84Å; L327-F345 HydrophobicContact CG-CD2 4.36Å; L327-W352 HydrophobicContact CD2-CB 3.76Å; L327-W352 HydrophobicContact CD2-CD2 4.02Å; L327-W352 HydrophobicContact CD2-CG 3.65Å; L327-Y354 HydrophobicContact CD2-CE2 3.74Å; L327-Y354 HydrophobicContact CG-CE2 3.87Å; L327-Y354 PolarHBondContact N-OH 2.96Å |
| 328 | P | 89.4 | Confident | 92.9 | Very high | 34 Ų | 34 | 43 Ų | 43 | 22% | 0.221 | 22% | 0.217 | C | C | . | . | trans | -59.8 | 167.8 | 164.1 | 27.4 | -33.4 | 0 | 0 | 0 | 110.7 | A330 I331 K347 W352 | P328-A330 WeakPolarHBondContact CG-O 3.47Å; P328-A330 PolarHBondContact O-N 3.18Å; P328-I331 HydrophobicContact CG-CG2 4.42Å; P328-K347 HydrophobicContact CB-CG 4.21Å; P328-K347 HydrophobicContact CG-CB 3.74Å; P328-K347 HydrophobicContact CG-CG 3.71Å; P328-W352 HydrophobicContact CG-CH2 4.1Å; P328-W352 HydrophobicContact CG-CZ2 4.3Å; P328-W352 HydrophobicContact CG-CZ3 4.47Å | ||
| 329 | R | 82.3 | Confident | 92.9 | Very high | 129 Ų | 129 | 43.8 Ų | 43.8 | 49% | 0.487 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -59.3 | -19 | 177.9 | -74.1 | -170.9 | 178.2 | -162 | -2.1 | 113.7 | G302 S303 | G302-R329 CarbonylContact C-O 3.52Å; G302-R329 VanDerWaalsContact C-O 3.28Å; S303-R329 WeakPolarHBondContact CA-O 3.48Å; S303-R329 VanDerWaalsContact CB-O 3.26Å; S303-R329 WeakPolarHBondContact CB-O 3.24Å; S303-R329 PolarHBondContact N-O 3.27Å; S303-R329 VanDerWaalsContact N-O 3.15Å |
| 330 | A | 85.9 | Confident | 93.1 | Very high | 2 Ų | 2 | 42.5 Ų | 42.5 | 2% | 0.017 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -162.3 | 157.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | H189 G302 P328 K347 | H189-A330 WeakPolarHBondContact CD2-CB 3.35Å; H189-A330 WeakPolarHBondContact NE2-CB 3.39Å; H189-A330 PolarHBondContact NE2-O 2.85Å; G302-A330 VanDerWaalsContact C-CB 3.43Å; G302-A330 WeakPolarHBondContact O-CA 3.4Å; G302-A330 VanDerWaalsContact O-CB 3.22Å; G302-A330 WeakPolarHBondContact O-CB 3.41Å; P328-A330 WeakPolarHBondContact CG-O 3.47Å; P328-A330 PolarHBondContact O-N 3.18Å; A330-K347 WeakPolarHBondContact O-CD 3.16Å |
| 331 | I | 92.8 | Very high | 93.3 | Very high | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | trans | -120.5 | 162.5 | -169.7 | 57.5 | 169 | 0 | 0 | 0 | 111 | D287 A288 F300 L320 L327 P328 A334 F345 | D287-I331 WeakPolarHBondContact CB-O 3.35Å; A288-I331 HydrophobicContact CB-CD1 4.31Å; F300-I331 HydrophobicContact CB-CD1 3.96Å; F300-I331 HydrophobicContact CB-CG1 4.19Å; F300-I331 HydrophobicContact CD1-CD1 3.61Å; F300-I331 HydrophobicContact CD1-CG1 4.41Å; F300-I331 HydrophobicContact CD2-CD1 4.18Å; F300-I331 HydrophobicContact CE1-CD1 4.12Å; F300-I331 HydrophobicContact CG-CD1 3.65Å; F300-I331 HydrophobicContact CG-CG1 4.39Å; L320-I331 HydrophobicContact CD2-CG2 4.12Å; L327-I331 HydrophobicContact CD1-CG2 4.41Å; P328-I331 HydrophobicContact CG-CG2 4.42Å; I331-A334 HydrophobicContact CD1-CB 3.85Å; I331-F345 HydrophobicContact CD1-CD1 3.64Å; I331-F345 HydrophobicContact CD1-CE1 4.12Å; I331-F345 HydrophobicContact CG2-CB 4.28Å; I331-F345 HydrophobicContact CG2-CD1 4.41Å | ||
| 332 | E | 90.2 | Very high | 93.5 | Very high | 11 Ų | 11 | 40.7 Ų | 40.7 | 5% | 0.051 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -107.7 | -31.7 | 178.5 | -74.5 | 160.7 | -179.7 | 0 | 0 | 112.2 | H189 K190 F346 K347 G348 R375 | H189-E332 HydrophobicContact CB-CG 3.99Å; K190-E332 WeakPolarHBondContact CE-O 3.38Å; K190-E332 PolarHBondContact NZ-O 2.78Å; E332-F346 PolarHBondContact N-O 3.48Å; E332-K347 HydrophobicContact CG-CD 3.75Å; E332-K347 IonicContact OE1-NZ 2.96Å; E332-K347 PolarHBondContact OE1-NZ 3.33Å; E332-G348 PolarHBondContact OE2-N 3.35Å; E332-R375 VanDerWaalsContact OE2-CA 3.3Å; E332-R375 WeakPolarHBondContact OE2-CA 3.44Å |
| 333 | A | 95.1 | Very high | 93.7 | Very high | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.008 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 153.1 | 172 | 0 | 0 | 0 | 0 | 0 | 109.9 | F346 A379 | A333-F346 HydrophobicContact CB-CB 4.16Å; A333-F346 HydrophobicContact CB-CD2 4.08Å; A333-F346 HydrophobicContact CB-CG 4.47Å; A333-F346 PolarHBondContact N-O 3.09Å; A333-F346 PolarHBondContact O-N 3.02Å; A333-A379 HydrophobicContact CB-CB 3.87Å |
| 334 | A | 97.1 | Very high | 93.8 | Very high | 2 Ų | 2 | 30.1 Ų | 30.1 | 2% | 0.017 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 142 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | A288 T290 F300 I331 Y344 F345 A379 | A288-A334 HydrophobicContact CB-CB 4.13Å; T290-A334 HydrophobicContact CG2-CB 4.03Å; F300-A334 HydrophobicContact CD2-CB 4.23Å; F300-A334 HydrophobicContact CE2-CB 3.95Å; F300-A334 HydrophobicContact CZ-CB 4.43Å; I331-A334 HydrophobicContact CD1-CB 3.85Å; A334-Y344 CarbonylContact C-O 3.52Å; A334-Y344 VanDerWaalsContact CA-O 3.3Å; A334-Y344 WeakPolarHBondContact CA-O 3.27Å; A334-F345 HydrophobicContact CB-CD1 3.85Å; A334-F345 HydrophobicContact CB-CE1 4.03Å; A334-A379 VanDerWaalsContact O-O 3.07Å |
| 335 | A | 97.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 137.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | Y344 A379 M388 | A335-Y344 PolarHBondContact N-O 3.18Å; A335-Y344 PolarHBondContact O-N 3.39Å; A335-A379 HydrophobicContact CB-CB 4.2Å; A335-M388 HydrophobicContact CB-CE 3.64Å; A335-M388 HydrophobicContact CB-SD 4.33Å |
| 336 | F | 97.1 | Very high | 94 | Very high | 16 Ų | 16 | 26.5 Ų | 26.5 | 7% | 0.07 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 139.3 | 159.8 | -176 | -104.9 | 0 | 0 | 0 | 109.1 | T290 V291 E293 P338 W343 | T290-F336 PolarHBondContact OG1-N 3.46Å; V291-F336 WeakPolarHBondContact O-CB 3.14Å; E293-F336 HydrophobicContact CB-CE1 3.75Å; E293-F336 HydrophobicContact CB-CZ 3.92Å; E293-F336 HydrophobicContact CG-CZ 4.41Å; F336-P338 HydrophobicContact CE1-CB 4.48Å; F336-W343 HydrophobicContact CB-CE3 4.05Å; F336-W343 HydrophobicContact CB-CH2 4.22Å; F336-W343 HydrophobicContact CB-CZ3 3.85Å; F336-W343 AromaticContact CD2-CD2 3.81Å; F336-W343 HydrophobicContact CD2-CD2 3.81Å; F336-W343 AromaticContact CD2-CE2 3.66Å; F336-W343 HydrophobicContact CD2-CE3 4.11Å; F336-W343 HydrophobicContact CD2-CG 4.31Å; F336-W343 HydrophobicContact CD2-CH2 4.15Å; F336-W343 AromaticContact CD2-CZ2 3.85Å; F336-W343 HydrophobicContact CD2-CZ2 3.85Å; F336-W343 HydrophobicContact CD2-CZ3 4.27Å; F336-W343 HydrophobicContact CE2-CZ2 4.39Å; F336-W343 HydrophobicContact CG-CH2 4.44Å; F336-W343 HydrophobicContact CG-CZ3 4.45Å |
| 337 | S | 95.9 | Very high | 94 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 119.3 | 170.2 | -176 | 0 | 0 | 0 | 0 | 110.2 | L339 D340 S341 K342 Y381 L401 | S337-L339 PolarHBondContact O-N 3.12Å; S337-L339 WeakPolarHBondContact OG-CB 3.49Å; S337-L339 PolarHBondContact OG-N 2.99Å; S337-D340 WeakPolarHBondContact CB-OD1 3.32Å; S337-S341 VanDerWaalsContact O-CA 3.24Å; S337-S341 WeakPolarHBondContact O-CA 3.38Å; S337-S341 PolarHBondContact O-N 3.41Å; S337-K342 PolarHBondContact N-O 2.85Å; S337-K342 PolarHBondContact O-N 3.17Å; S337-Y381 VanDerWaalsContact OG-CD2 3.25Å; S337-Y381 WeakPolarHBondContact OG-CD2 3.44Å; S337-Y381 WeakPolarHBondContact OG-CE2 3.42Å; S337-L401 WeakPolarHBondContact OG-CD1 3.48Å |
| 338 | P | 93.2 | Very high | 93.6 | Very high | 75 Ų | 75 | 27.4 Ų | 27.4 | 49% | 0.487 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -9.9 | 172.3 | 31.1 | -35.2 | 0 | 0 | 0 | 112.7 | F336 Y381 | F336-P338 HydrophobicContact CE1-CB 4.48Å; P338-Y381 VanDerWaalsContact CD-CD1 3.46Å; P338-Y381 HydrophobicContact CG-CD1 3.62Å; P338-Y381 HydrophobicContact CG-CE1 3.77Å; P338-Y381 HydrophobicContact CG-CG 4.31Å |
| 339 | L | 92.6 | Very high | 93.7 | Very high | 83 Ų | 83 | 29.6 Ų | 29.6 | 44% | 0.435 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -39.6 | 179.6 | -179.5 | 66.3 | 0 | 0 | 0 | 112.1 | S337 Y381 L401 | S337-L339 PolarHBondContact O-N 3.12Å; S337-L339 WeakPolarHBondContact OG-CB 3.49Å; S337-L339 PolarHBondContact OG-N 2.99Å; L339-Y381 HydrophobicContact CB-CE2 3.99Å; L339-Y381 HydrophobicContact CD2-CE2 4.46Å; L339-L401 HydrophobicContact CD2-CB 4.49Å |
| 340 | D | 94.6 | Very high | 94.4 | Very high | 47 Ų | 47 | 29 Ų | 29 | 25% | 0.251 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -125.6 | 4 | -176.6 | 63.9 | 0.9 | 0 | 0 | 0 | 113 | S337 K342 Y344 | S337-D340 WeakPolarHBondContact CB-OD1 3.32Å; D340-K342 HydrophobicContact CB-CD 4.38Å; D340-K342 HydrophobicContact CB-CG 4.2Å; D340-K342 WeakPolarHBondContact O-CG 3.3Å; D340-K342 PolarHBondContact O-N 3Å; D340-K342 WeakPolarHBondContact OD1-CB 3.35Å; D340-K342 PolarHBondContact OD1-N 2.98Å; D340-Y344 PolarHBondContact OD2-OH 3.43Å |
| 341 | S | 95.9 | Very high | 94.9 | Very high | 58 Ų | 58 | 28.9 Ų | 28.9 | 41% | 0.406 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54 | 36.3 | -174.5 | -63.3 | 0 | 0 | 0 | 0 | 113.6 | S337 | S337-S341 VanDerWaalsContact O-CA 3.24Å; S337-S341 WeakPolarHBondContact O-CA 3.38Å; S337-S341 PolarHBondContact O-N 3.41Å |
| 342 | K | 97.3 | Very high | 95.2 | Very high | 41 Ų | 41 | 29.6 Ų | 29.6 | 18% | 0.178 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 152.5 | -178.8 | -59.8 | -173.1 | -179.4 | -170.5 | 0 | 113.7 | S337 D340 Y344 R353 Y354 T355 D360 | S337-K342 PolarHBondContact N-O 2.85Å; S337-K342 PolarHBondContact O-N 3.17Å; D340-K342 HydrophobicContact CB-CD 4.38Å; D340-K342 HydrophobicContact CB-CG 4.2Å; D340-K342 WeakPolarHBondContact O-CG 3.3Å; D340-K342 PolarHBondContact O-N 3Å; D340-K342 WeakPolarHBondContact OD1-CB 3.35Å; D340-K342 PolarHBondContact OD1-N 2.98Å; K342-Y344 HydrophobicContact CB-CD2 4.41Å; K342-Y344 HydrophobicContact CB-CE2 3.77Å; K342-R353 HydrophobicContact CB-CG 4.06Å; K342-R353 HydrophobicContact CD-CG 3.86Å; K342-Y354 WeakPolarHBondContact CA-O 3.43Å; K342-Y354 WeakPolarHBondContact CB-O 3.44Å; K342-T355 WeakPolarHBondContact CE-OG1 3.16Å; K342-D360 IonicContact NZ-OD2 3.74Å; K342-D360 PolarHBondContact NZ-OD2 3.22Å |
| 343 | W | 98 | Very high | 95.5 | Very high | 12 Ų | 12 | 31 Ų | 31 | 5% | 0.045 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 133.3 | 171 | -63.5 | 94.4 | 0 | 0 | 0 | 110.5 | T290 D292 L298 W324 F336 F345 R353 Y354 | T290-W343 HydrophobicContact CG2-CE3 4.43Å; T290-W343 HydrophobicContact CG2-CZ3 3.69Å; D292-W343 HydrophobicContact CB-CH2 3.64Å; D292-W343 HydrophobicContact CB-CZ2 3.67Å; L298-W343 HydrophobicContact CD1-CH2 3.64Å; L298-W343 HydrophobicContact CD1-CZ3 4.35Å; L298-W343 HydrophobicContact CD2-CH2 3.6Å; L298-W343 HydrophobicContact CD2-CZ2 4.25Å; L298-W343 HydrophobicContact CD2-CZ3 3.92Å; L298-W343 HydrophobicContact CG-CH2 4.22Å; W324-W343 HydrophobicContact CZ2-CD2 4.16Å; W324-W343 HydrophobicContact CZ2-CG 4.27Å; F336-W343 HydrophobicContact CB-CE3 4.05Å; F336-W343 HydrophobicContact CB-CH2 4.22Å; F336-W343 HydrophobicContact CB-CZ3 3.85Å; F336-W343 AromaticContact CD2-CD2 3.81Å; F336-W343 HydrophobicContact CD2-CD2 3.81Å; F336-W343 AromaticContact CD2-CE2 3.66Å; F336-W343 HydrophobicContact CD2-CE3 4.11Å; F336-W343 HydrophobicContact CD2-CG 4.31Å; F336-W343 HydrophobicContact CD2-CH2 4.15Å; F336-W343 AromaticContact CD2-CZ2 3.85Å; F336-W343 HydrophobicContact CD2-CZ2 3.85Å; F336-W343 HydrophobicContact CD2-CZ3 4.27Å; F336-W343 HydrophobicContact CE2-CZ2 4.39Å; F336-W343 HydrophobicContact CG-CH2 4.44Å; F336-W343 HydrophobicContact CG-CZ3 4.45Å; W343-F345 HydrophobicContact CB-CD2 4.31Å; W343-F345 HydrophobicContact CB-CE2 3.53Å; W343-F345 HydrophobicContact CB-CZ 3.91Å; W343-F345 HydrophobicContact CD2-CZ 4.5Å; W343-F345 HydrophobicContact CE3-CZ 4.32Å; W343-F345 HydrophobicContact CG-CE2 4.34Å; W343-F345 HydrophobicContact CG-CZ 4.36Å; W343-R353 CarbonylContact O-C 3.52Å; W343-R353 VanDerWaalsContact O-CA 3.26Å; W343-R353 WeakPolarHBondContact O-CA 3.38Å; W343-Y354 PolarHBondContact N-O 3.47Å; W343-Y354 PolarHBondContact O-N 3.35Å |
| 344 | Y | 97.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 122.6 | 176.8 | -67.6 | -96.8 | 0 | 0 | 0 | 109.2 | A334 A335 D340 K342 M351 W352 R353 M388 L401 | A334-Y344 CarbonylContact C-O 3.52Å; A334-Y344 VanDerWaalsContact CA-O 3.3Å; A334-Y344 WeakPolarHBondContact CA-O 3.27Å; A335-Y344 PolarHBondContact N-O 3.18Å; A335-Y344 PolarHBondContact O-N 3.39Å; D340-Y344 PolarHBondContact OD2-OH 3.43Å; K342-Y344 HydrophobicContact CB-CD2 4.41Å; K342-Y344 HydrophobicContact CB-CE2 3.77Å; Y344-M351 HydrophobicContact CD1-CE 4.07Å; Y344-M351 HydrophobicContact CD1-SD 3.91Å; Y344-M351 HydrophobicContact CE1-CE 4.19Å; Y344-W352 WeakPolarHBondContact CA-O 3.5Å; Y344-R353 HydrophobicContact CD1-CB 4.37Å; Y344-R353 HydrophobicContact CD1-CG 4.13Å; Y344-R353 HydrophobicContact CE1-CB 4.27Å; Y344-R353 HydrophobicContact CE1-CG 3.74Å; Y344-R353 HydrophobicContact CE2-CG 4.4Å; Y344-R353 VanDerWaalsContact CZ-CD 3.41Å; Y344-R353 VanDerWaalsContact OH-CD 3.24Å; Y344-R353 WeakPolarHBondContact OH-CD 3.3Å; Y344-M388 HydrophobicContact CD1-CE 4.22Å; Y344-M388 HydrophobicContact CD2-CE 3.59Å; Y344-M388 HydrophobicContact CE2-CE 4.23Å; Y344-M388 HydrophobicContact CG-CE 3.59Å; Y344-M388 HydrophobicContact CG-SD 4.34Å; Y344-L401 HydrophobicContact CD1-CD2 4.39Å; Y344-L401 HydrophobicContact CE1-CD2 3.78Å; Y344-L401 HydrophobicContact CE2-CD1 4.1Å; Y344-L401 HydrophobicContact CE2-CD2 4.32Å |
| 345 | F | 97.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 140.7 | 179.5 | -58.7 | -80.4 | 0 | 0 | 0 | 110.5 | F300 W324 L327 I331 A334 W343 M351 W352 Y354 | F300-F345 AromaticContact CE1-CE1 3.91Å; F300-F345 HydrophobicContact CE1-CE1 3.91Å; F300-F345 AromaticContact CZ-CE1 3.87Å; F300-F345 HydrophobicContact CZ-CE1 3.87Å; W324-F345 HydrophobicContact CD2-CE2 4Å; W324-F345 AromaticContact CD2-CZ 3.77Å; W324-F345 HydrophobicContact CD2-CZ 3.77Å; W324-F345 AromaticContact CE2-CE2 3.91Å; W324-F345 AromaticContact CE2-CZ 3.66Å; W324-F345 AromaticContact CE3-CZ 3.98Å; W324-F345 HydrophobicContact CE3-CZ 3.98Å; W324-F345 HydrophobicContact CG-CE2 4.18Å; W324-F345 HydrophobicContact CG-CZ 4.42Å; W324-F345 AromaticContact CH2-CZ 3.93Å; W324-F345 HydrophobicContact CH2-CZ 3.93Å; W324-F345 HydrophobicContact CZ2-CE2 4.38Å; W324-F345 AromaticContact CZ2-CZ 3.74Å; W324-F345 HydrophobicContact CZ2-CZ 3.74Å; W324-F345 HydrophobicContact CZ3-CZ 4.06Å; L327-F345 HydrophobicContact CD1-CB 4.47Å; L327-F345 HydrophobicContact CD1-CD1 4.08Å; L327-F345 HydrophobicContact CD1-CD2 3.83Å; L327-F345 HydrophobicContact CD1-CE1 4.22Å; L327-F345 HydrophobicContact CD1-CE2 3.98Å; L327-F345 HydrophobicContact CD1-CG 3.87Å; L327-F345 HydrophobicContact CD1-CZ 4.17Å; L327-F345 HydrophobicContact CD2-CB 3.66Å; L327-F345 HydrophobicContact CD2-CD2 3.82Å; L327-F345 HydrophobicContact CD2-CG 3.84Å; L327-F345 HydrophobicContact CG-CD2 4.36Å; I331-F345 HydrophobicContact CD1-CD1 3.64Å; I331-F345 HydrophobicContact CD1-CE1 4.12Å; I331-F345 HydrophobicContact CG2-CB 4.28Å; I331-F345 HydrophobicContact CG2-CD1 4.41Å; A334-F345 HydrophobicContact CB-CD1 3.85Å; A334-F345 HydrophobicContact CB-CE1 4.03Å; W343-F345 HydrophobicContact CB-CD2 4.31Å; W343-F345 HydrophobicContact CB-CE2 3.53Å; W343-F345 HydrophobicContact CB-CZ 3.91Å; W343-F345 HydrophobicContact CD2-CZ 4.5Å; W343-F345 HydrophobicContact CE3-CZ 4.32Å; W343-F345 HydrophobicContact CG-CE2 4.34Å; W343-F345 HydrophobicContact CG-CZ 4.36Å; F345-M351 CarbonylContact O-C 3.51Å; F345-M351 VanDerWaalsContact O-CA 3.32Å; F345-M351 WeakPolarHBondContact O-CA 3.32Å; F345-W352 HydrophobicContact CB-CB 4.35Å; F345-W352 PolarHBondContact N-O 2.66Å; F345-W352 PolarHBondContact O-N 3.37Å; F345-Y354 AromaticContact CD2-CD2 3.84Å; F345-Y354 HydrophobicContact CD2-CD2 3.84Å; F345-Y354 HydrophobicContact CD2-CE2 4.23Å; F345-Y354 AromaticContact CE2-CD2 3.93Å; F345-Y354 HydrophobicContact CE2-CD2 3.93Å |
| 346 | F | 96.2 | Very high | 95.6 | Very high | 1 Ų | 1 | 36 Ų | 36 | 0% | 0.004 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 134.1 | -177.4 | -59.7 | -92.1 | 0 | 0 | 0 | 110.6 | E332 A333 M351 L372 L376 A379 M388 L390 | E332-F346 PolarHBondContact N-O 3.48Å; A333-F346 HydrophobicContact CB-CB 4.16Å; A333-F346 HydrophobicContact CB-CD2 4.08Å; A333-F346 HydrophobicContact CB-CG 4.47Å; A333-F346 PolarHBondContact N-O 3.09Å; A333-F346 PolarHBondContact O-N 3.02Å; F346-M351 HydrophobicContact CD1-CB 3.93Å; F346-M351 HydrophobicContact CD1-CG 3.86Å; F346-M351 HydrophobicContact CD1-SD 4.31Å; F346-M351 HydrophobicContact CE1-CB 3.85Å; F346-M351 HydrophobicContact CE1-CG 3.43Å; F346-M351 VanDerWaalsContact CE1-CG 3.43Å; F346-M351 HydrophobicContact CE1-SD 3.31Å; F346-M351 WeakPolarHBondContact CE1-SD 3.47Å; F346-M351 HydrophobicContact CZ-CG 3.81Å; F346-M351 HydrophobicContact CZ-SD 3.47Å; F346-M351 WeakPolarHBondContact CZ-SD 3.26Å; F346-L372 HydrophobicContact CE1-CD1 4.23Å; F346-L376 HydrophobicContact CB-CD1 4.12Å; F346-L376 HydrophobicContact CD1-CD1 3.34Å; F346-L376 HydrophobicContact CE1-CD1 3.85Å; F346-L376 HydrophobicContact CG-CD1 3.79Å; F346-A379 HydrophobicContact CD2-CB 3.84Å; F346-A379 HydrophobicContact CE2-CB 3.58Å; F346-A379 HydrophobicContact CZ-CB 4.4Å; F346-M388 HydrophobicContact CE2-SD 3.99Å; F346-M388 HydrophobicContact CZ-SD 3.73Å; F346-L390 HydrophobicContact CD1-CD2 4.2Å; F346-L390 HydrophobicContact CE1-CD2 3.49Å; F346-L390 VanDerWaalsContact CE1-CD2 3.49Å; F346-L390 HydrophobicContact CE2-CD2 4.04Å; F346-L390 HydrophobicContact CZ-CD2 3.42Å; F346-L390 VanDerWaalsContact CZ-CD2 3.42Å |
| 347 | K | 92.2 | Very high | 95.5 | Very high | 39 Ų | 39 | 39 Ų | 39 | 17% | 0.17 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 123.7 | 172.3 | -178 | 59.8 | 175.2 | 165.8 | 0 | 111.5 | H189 P328 A330 E332 K349 R350 W352 | H189-K347 PolarHBondContact CD2-NZ 3.4Å; H189-K347 PolarHBondContact CE1-NZ 3.35Å; H189-K347 VanDerWaalsContact CE1-NZ 3.34Å; H189-K347 PolarHBondContact ND1-NZ 2.91Å; H189-K347 WeakPolarHBondContact NE2-CE 3.1Å; H189-K347 PolarHBondContact NE2-NZ 3.14Å; P328-K347 HydrophobicContact CB-CG 4.21Å; P328-K347 HydrophobicContact CG-CB 3.74Å; P328-K347 HydrophobicContact CG-CG 3.71Å; A330-K347 WeakPolarHBondContact O-CD 3.16Å; E332-K347 HydrophobicContact CG-CD 3.75Å; E332-K347 IonicContact OE1-NZ 2.96Å; E332-K347 PolarHBondContact OE1-NZ 3.33Å; K347-K349 PolarHBondContact O-N 2.91Å; K347-R350 PolarHBondContact N-O 3.49Å; K347-R350 PolarHBondContact O-N 2.83Å; K347-R350 VanDerWaalsContact O-N 3.08Å; K347-W352 HydrophobicContact CB-CH2 4.05Å; K347-W352 HydrophobicContact CB-CZ3 3.67Å |
| 348 | G | 87.6 | Confident | 95.6 | Very high | 23 Ų | 23 | 43.6 Ų | 43.6 | 24% | 0.237 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.9 | -110.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | E332 R374 R375 | E332-G348 PolarHBondContact OE2-N 3.35Å; G348-R374 CarbonylContact O-C 3.58Å; G348-R374 VanDerWaalsContact O-CA 3.3Å; G348-R374 WeakPolarHBondContact O-CA 3.42Å; G348-R375 PolarHBondContact O-N 3.44Å |
| 349 | K | 90.8 | Very high | 95.8 | Very high | 81 Ų | 81 | 42.7 Ų | 42.7 | 35% | 0.352 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.5 | 16.7 | -179.7 | 66.2 | 168.7 | -174 | 159.6 | 0 | 113.7 | K347 Q366 N367 R374 | K347-K349 PolarHBondContact O-N 2.91Å; K349-Q366 WeakPolarHBondContact O-CA 3.38Å; K349-N367 PolarHBondContact O-N 3.45Å; K349-N367 PolarHBondContact O-OD1 3.11Å; K349-R374 HydrophobicContact CB-CG 3.86Å |
| 350 | R | 96.2 | Very high | 96 | Very high | 116 Ų | 116 | 39.3 Ų | 39.3 | 44% | 0.438 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 147.5 | -172.5 | -73.5 | 178.1 | -175.6 | 163.3 | -1.3 | 111.9 | K347 W352 P364 M365 N367 | K347-R350 PolarHBondContact N-O 3.49Å; K347-R350 PolarHBondContact O-N 2.83Å; K347-R350 VanDerWaalsContact O-N 3.08Å; R350-W352 HydrophobicContact CB-CE3 4.1Å; R350-W352 HydrophobicContact CB-CH2 3.39Å; R350-W352 HydrophobicContact CB-CZ2 4.16Å; R350-W352 HydrophobicContact CB-CZ3 3.35Å; R350-W352 HydrophobicContact CG-CH2 4.31Å; R350-W352 VanDerWaalsContact O-CZ3 3.28Å; R350-W352 WeakPolarHBondContact O-CZ3 3.45Å; R350-P364 HydrophobicContact CB-CB 4.15Å; R350-P364 HydrophobicContact CG-CB 4.39Å; R350-M365 CarbonylContact C-O 3.56Å; R350-M365 VanDerWaalsContact CA-O 3.25Å; R350-M365 WeakPolarHBondContact CA-O 3.48Å; R350-N367 WeakPolarHBondContact CA-OD1 3.38Å; R350-N367 PolarHBondContact N-OD1 3.11Å |
| 351 | M | 97.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 136.4 | 168.4 | -176.7 | 177 | 83.7 | 0 | 0 | 109 | Y344 F345 F346 F363 P364 M365 N367 L370 L399 L404 | Y344-M351 HydrophobicContact CD1-CE 4.07Å; Y344-M351 HydrophobicContact CD1-SD 3.91Å; Y344-M351 HydrophobicContact CE1-CE 4.19Å; F345-M351 CarbonylContact O-C 3.51Å; F345-M351 VanDerWaalsContact O-CA 3.32Å; F345-M351 WeakPolarHBondContact O-CA 3.32Å; F346-M351 HydrophobicContact CD1-CB 3.93Å; F346-M351 HydrophobicContact CD1-CG 3.86Å; F346-M351 HydrophobicContact CD1-SD 4.31Å; F346-M351 HydrophobicContact CE1-CB 3.85Å; F346-M351 HydrophobicContact CE1-CG 3.43Å; F346-M351 VanDerWaalsContact CE1-CG 3.43Å; F346-M351 HydrophobicContact CE1-SD 3.31Å; F346-M351 WeakPolarHBondContact CE1-SD 3.47Å; F346-M351 HydrophobicContact CZ-CG 3.81Å; F346-M351 HydrophobicContact CZ-SD 3.47Å; F346-M351 WeakPolarHBondContact CZ-SD 3.26Å; M351-F363 HydrophobicContact CE-CE1 3.49Å; M351-F363 VanDerWaalsContact CE-CE1 3.49Å; M351-F363 HydrophobicContact CE-CZ 4.12Å; M351-F363 WeakPolarHBondContact O-CD1 3.42Å; M351-P364 CarbonylContact O-C 3.51Å; M351-P364 WeakPolarHBondContact O-CA 3.31Å; M351-P364 WeakPolarHBondContact O-CB 3.34Å; M351-M365 PolarHBondContact N-O 3.34Å; M351-M365 PolarHBondContact O-N 3.34Å; M351-N367 PolarHBondContact N-OD1 2.9Å; M351-L370 HydrophobicContact CB-CD1 3.79Å; M351-L370 HydrophobicContact CE-CD1 3.63Å; M351-L370 HydrophobicContact CE-CD2 4.13Å; M351-L370 HydrophobicContact CG-CD1 4.38Å; M351-L370 HydrophobicContact SD-CD1 3.72Å; M351-L399 HydrophobicContact CE-CD2 4.4Å; M351-L399 HydrophobicContact SD-CD2 4.05Å; M351-L404 HydrophobicContact CE-CD2 4.14Å |
| 352 | W | 98.1 | Very high | 96.1 | Very high | 16 Ų | 16 | 43.3 Ų | 43.3 | 6% | 0.061 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 144.7 | 170.4 | -67.8 | -110.5 | 0 | 0 | 0 | 108.7 | G326 L327 P328 Y344 F345 K347 R350 Y354 L359 P364 | G326-W352 PolarHBondContact O-NE1 2.93Å; L327-W352 HydrophobicContact CD2-CB 3.76Å; L327-W352 HydrophobicContact CD2-CD2 4.02Å; L327-W352 HydrophobicContact CD2-CG 3.65Å; P328-W352 HydrophobicContact CG-CH2 4.1Å; P328-W352 HydrophobicContact CG-CZ2 4.3Å; P328-W352 HydrophobicContact CG-CZ3 4.47Å; Y344-W352 WeakPolarHBondContact CA-O 3.5Å; F345-W352 HydrophobicContact CB-CB 4.35Å; F345-W352 PolarHBondContact N-O 2.66Å; F345-W352 PolarHBondContact O-N 3.37Å; K347-W352 HydrophobicContact CB-CH2 4.05Å; K347-W352 HydrophobicContact CB-CZ3 3.67Å; R350-W352 HydrophobicContact CB-CE3 4.1Å; R350-W352 HydrophobicContact CB-CH2 3.39Å; R350-W352 HydrophobicContact CB-CZ2 4.16Å; R350-W352 HydrophobicContact CB-CZ3 3.35Å; R350-W352 HydrophobicContact CG-CH2 4.31Å; R350-W352 VanDerWaalsContact O-CZ3 3.28Å; R350-W352 WeakPolarHBondContact O-CZ3 3.45Å; W352-Y354 HydrophobicContact CB-CD2 4.27Å; W352-Y354 HydrophobicContact CB-CE2 3.85Å; W352-Y354 HydrophobicContact CG-CE2 4.41Å; W352-L359 HydrophobicContact CB-CD1 4.34Å; W352-P364 HydrophobicContact CD2-CB 3.7Å; W352-P364 VanDerWaalsContact CE2-CB 3.48Å; W352-P364 HydrophobicContact CE3-CB 4.34Å; W352-P364 HydrophobicContact CG-CB 3.89Å; W352-P364 HydrophobicContact CZ2-CB 3.95Å; W352-P364 HydrophobicContact CZ2-CG 4.08Å |
| 353 | R | 98.1 | Very high | 96.1 | Very high | 40 Ų | 40 | 42.3 Ų | 42.3 | 15% | 0.151 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 132.3 | 174.3 | -171.6 | 174.4 | 71.9 | -171.5 | -2.4 | 109.7 | K342 W343 Y344 D360 F363 | K342-R353 HydrophobicContact CB-CG 4.06Å; K342-R353 HydrophobicContact CD-CG 3.86Å; W343-R353 CarbonylContact O-C 3.52Å; W343-R353 VanDerWaalsContact O-CA 3.26Å; W343-R353 WeakPolarHBondContact O-CA 3.38Å; Y344-R353 HydrophobicContact CD1-CB 4.37Å; Y344-R353 HydrophobicContact CD1-CG 4.13Å; Y344-R353 HydrophobicContact CE1-CB 4.27Å; Y344-R353 HydrophobicContact CE1-CG 3.74Å; Y344-R353 HydrophobicContact CE2-CG 4.4Å; Y344-R353 VanDerWaalsContact CZ-CD 3.41Å; Y344-R353 VanDerWaalsContact OH-CD 3.24Å; Y344-R353 WeakPolarHBondContact OH-CD 3.3Å; R353-D360 HydrophobicContact CB-CB 4.38Å; R353-D360 IonicContact CZ-OD2 2.71Å; R353-D360 IonicContact NE-OD2 3.61Å; R353-D360 PolarHBondContact NE-OD2 3.18Å; R353-D360 IonicContact NH2-OD2 3.19Å; R353-D360 PolarHBondContact NH2-OD2 3.39Å; R353-D360 WeakPolarHBondContact O-CB 3.39Å; R353-D360 PolarHBondContact O-N 2.95Å; R353-F363 HydrophobicContact CB-CD1 3.72Å; R353-F363 HydrophobicContact CB-CD2 3.89Å; R353-F363 HydrophobicContact CB-CE1 3.68Å; R353-F363 HydrophobicContact CB-CE2 3.84Å; R353-F363 HydrophobicContact CB-CG 3.83Å; R353-F363 HydrophobicContact CB-CZ 3.72Å; R353-F363 VanDerWaalsContact CZ-CE2 3.46Å |
| 354 | Y | 98.3 | Very high | 96 | Very high | 1 Ų | 1 | 44.1 Ų | 44.1 | 0% | 0.004 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 137.2 | -179.6 | -75.5 | -100.2 | 0 | 0 | 0 | 111.3 | W324 G326 L327 K342 W343 F345 W352 T357 V358 L359 | W324-Y354 HydrophobicContact CB-CD1 4.45Å; W324-Y354 HydrophobicContact CB-CE1 3.94Å; W324-Y354 HydrophobicContact CB-CE2 4.25Å; W324-Y354 AromaticContact CD1-CD1 3.39Å; W324-Y354 AromaticContact CD1-CE1 3.76Å; W324-Y354 AromaticContact CD1-CG 3.54Å; W324-Y354 HydrophobicContact CG-CD1 4.28Å; W324-Y354 HydrophobicContact CG-CE1 4.25Å; W324-Y354 HydrophobicContact CG-CG 4.42Å; G326-Y354 VanDerWaalsContact C-OH 3.23Å; G326-Y354 WeakPolarHBondContact CA-OH 3.32Å; G326-Y354 PolarHBondContact N-OH 3.41Å; G326-Y354 VanDerWaalsContact N-OH 3.11Å; L327-Y354 HydrophobicContact CD2-CE2 3.74Å; L327-Y354 HydrophobicContact CG-CE2 3.87Å; L327-Y354 PolarHBondContact N-OH 2.96Å; K342-Y354 WeakPolarHBondContact CA-O 3.43Å; K342-Y354 WeakPolarHBondContact CB-O 3.44Å; W343-Y354 PolarHBondContact N-O 3.47Å; W343-Y354 PolarHBondContact O-N 3.35Å; F345-Y354 AromaticContact CD2-CD2 3.84Å; F345-Y354 HydrophobicContact CD2-CD2 3.84Å; F345-Y354 HydrophobicContact CD2-CE2 4.23Å; F345-Y354 AromaticContact CE2-CD2 3.93Å; F345-Y354 HydrophobicContact CE2-CD2 3.93Å; W352-Y354 HydrophobicContact CB-CD2 4.27Å; W352-Y354 HydrophobicContact CB-CE2 3.85Å; W352-Y354 HydrophobicContact CG-CE2 4.41Å; Y354-T357 WeakPolarHBondContact CD1-O 3.36Å; Y354-V358 VanDerWaalsContact CA-O 3.27Å; Y354-V358 WeakPolarHBondContact CA-O 3.47Å; Y354-V358 WeakPolarHBondContact CD1-O 3.16Å; Y354-L359 VanDerWaalsContact CD1-CA 3.46Å; Y354-L359 HydrophobicContact CD1-CB 4.04Å; Y354-L359 VanDerWaalsContact CD1-N 3.3Å; Y354-L359 HydrophobicContact CD2-CD1 4.08Å; Y354-L359 HydrophobicContact CE1-CB 3.57Å; Y354-L359 HydrophobicContact CE1-CD1 4.11Å; Y354-L359 HydrophobicContact CE1-CG 4.42Å; Y354-L359 HydrophobicContact CE2-CD1 3.62Å |
| 355 | T | 96.9 | Very high | 96 | Very high | 69 Ų | 69 | 46.3 Ų | 46.3 | 42% | 0.423 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 105.6 | 165 | -56.7 | 0 | 0 | 0 | 0 | 107.6 | K342 T357 V358 D360 | K342-T355 WeakPolarHBondContact CE-OG1 3.16Å; T355-T357 PolarHBondContact O-N 3.38Å; T355-V358 PolarHBondContact N-O 2.78Å; T355-V358 PolarHBondContact O-N 3.05Å; T355-D360 WeakPolarHBondContact CB-OD1 3.26Å; T355-D360 PolarHBondContact N-OD1 3.11Å; T355-D360 PolarHBondContact OG1-OD1 3.38Å |
| 356 | G | 94.6 | Very high | 95.9 | Very high | 39 Ų | 39 | 50.5 Ų | 50.5 | 40% | 0.402 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.3 | -108.4 | -167.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | W324 | W324-G356 PolarHBondContact NE1-O 2.85Š|
| 357 | T | 95.6 | Very high | 95.7 | Very high | 77 Ų | 77 | 50.5 Ų | 50.5 | 47% | 0.472 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108 | -6.1 | 177.7 | 55.9 | 0 | 0 | 0 | 0 | 113.6 | R323 Y354 T355 | R323-T357 HydrophobicContact CG-CG2 3.8Å; R323-T357 VanDerWaalsContact O-CB 3.28Å; R323-T357 WeakPolarHBondContact O-CB 3.5Å; R323-T357 WeakPolarHBondContact O-CG2 3.3Å; Y354-T357 WeakPolarHBondContact CD1-O 3.36Å; T355-T357 PolarHBondContact O-N 3.38Å |
| 358 | V | 97.5 | Very high | 95.7 | Very high | 98 Ų | 98 | 52.3 Ų | 52.3 | 59% | 0.594 | 30% | 0.304 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 127.8 | -176.7 | -177.7 | 0 | 0 | 0 | 0 | 110.1 | Y354 T355 D360 | Y354-V358 VanDerWaalsContact CA-O 3.27Å; Y354-V358 WeakPolarHBondContact CA-O 3.47Å; Y354-V358 WeakPolarHBondContact CD1-O 3.16Å; T355-V358 PolarHBondContact N-O 2.78Å; T355-V358 PolarHBondContact O-N 3.05Å; V358-D360 PolarHBondContact O-N 3.38Å |
| 359 | L | 98.1 | Very high | 96 | Very high | 56 Ų | 56 | 56 Ų | 56 | 29% | 0.293 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 126.5 | 177.1 | 179.9 | 65.2 | 0 | 0 | 0 | 109.2 | W352 Y354 F363 | W352-L359 HydrophobicContact CB-CD1 4.34Å; Y354-L359 VanDerWaalsContact CD1-CA 3.46Å; Y354-L359 HydrophobicContact CD1-CB 4.04Å; Y354-L359 VanDerWaalsContact CD1-N 3.3Å; Y354-L359 HydrophobicContact CD2-CD1 4.08Å; Y354-L359 HydrophobicContact CE1-CB 3.57Å; Y354-L359 HydrophobicContact CE1-CD1 4.11Å; Y354-L359 HydrophobicContact CE1-CG 4.42Å; Y354-L359 HydrophobicContact CE2-CD1 3.62Å; L359-F363 HydrophobicContact CD1-CB 3.83Å; L359-F363 HydrophobicContact CG-CB 4.44Å |
| 360 | D | 97.8 | Very high | 96.1 | Very high | 12 Ų | 12 | 52.2 Ų | 52.2 | 6% | 0.064 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -66.7 | 142 | 179.6 | -82.7 | 23.9 | 0 | 0 | 0 | 111.3 | K342 R353 T355 V358 G362 F363 | K342-D360 IonicContact NZ-OD2 3.74Å; K342-D360 PolarHBondContact NZ-OD2 3.22Å; R353-D360 HydrophobicContact CB-CB 4.38Å; R353-D360 IonicContact CZ-OD2 2.71Å; R353-D360 IonicContact NE-OD2 3.61Å; R353-D360 PolarHBondContact NE-OD2 3.18Å; R353-D360 IonicContact NH2-OD2 3.19Å; R353-D360 PolarHBondContact NH2-OD2 3.39Å; R353-D360 WeakPolarHBondContact O-CB 3.39Å; R353-D360 PolarHBondContact O-N 2.95Å; T355-D360 WeakPolarHBondContact CB-OD1 3.26Å; T355-D360 PolarHBondContact N-OD1 3.11Å; T355-D360 PolarHBondContact OG1-OD1 3.38Å; V358-D360 PolarHBondContact O-N 3.38Å; D360-G362 PolarHBondContact O-N 3.32Å; D360-F363 HydrophobicContact CB-CD2 3.73Å; D360-F363 HydrophobicContact CB-CE2 4.25Å; D360-F363 WeakPolarHBondContact O-CB 3.38Å; D360-F363 PolarHBondContact O-N 2.85Å |
| 361 | P | 96.9 | Very high | 96 | Very high | 124 Ų | 124 | 48.6 Ų | 48.6 | 81% | 0.805 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | 139.8 | 172.3 | -25.7 | 34.5 | 0 | 0 | 0 | 112.3 | F363 | P361-F363 VanDerWaalsContact C-N 3.33Š|
| 362 | G | 94.9 | Very high | 95.8 | Very high | 65 Ų | 65 | 49 Ų | 49 | 67% | 0.67 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.2 | -1 | -177 | 0 | 0 | 0 | 0 | 0 | 115 | D360 | D360-G362 PolarHBondContact O-N 3.32Š|
| 363 | F | 96.8 | Very high | 95.5 | Very high | 20 Ų | 20 | 49.8 Ų | 49.8 | 9% | 0.088 | 31% | 0.313 | C | S | . | . | trans | -105.7 | 149.6 | 174.8 | -69.9 | -90.4 | 0 | 0 | 0 | 112.2 | M351 R353 L359 D360 P361 M365 L404 | M351-F363 HydrophobicContact CE-CE1 3.49Å; M351-F363 VanDerWaalsContact CE-CE1 3.49Å; M351-F363 HydrophobicContact CE-CZ 4.12Å; M351-F363 WeakPolarHBondContact O-CD1 3.42Å; R353-F363 HydrophobicContact CB-CD1 3.72Å; R353-F363 HydrophobicContact CB-CD2 3.89Å; R353-F363 HydrophobicContact CB-CE1 3.68Å; R353-F363 HydrophobicContact CB-CE2 3.84Å; R353-F363 HydrophobicContact CB-CG 3.83Å; R353-F363 HydrophobicContact CB-CZ 3.72Å; R353-F363 VanDerWaalsContact CZ-CE2 3.46Å; L359-F363 HydrophobicContact CD1-CB 3.83Å; L359-F363 HydrophobicContact CG-CB 4.44Å; D360-F363 HydrophobicContact CB-CD2 3.73Å; D360-F363 HydrophobicContact CB-CE2 4.25Å; D360-F363 WeakPolarHBondContact O-CB 3.38Å; D360-F363 PolarHBondContact O-N 2.85Å; P361-F363 VanDerWaalsContact C-N 3.33Å; F363-M365 HydrophobicContact CD1-CB 4.09Å; F363-M365 HydrophobicContact CE1-CB 3.99Å; F363-L404 HydrophobicContact CZ-CD1 3.83Å | ||
| 364 | P | 96.9 | Very high | 95.1 | Very high | 49 Ų | 49 | 54.9 Ų | 54.9 | 32% | 0.318 | 33% | 0.332 | S | S | . | . | S | Bend | cis | -74.6 | 139.2 | 1.6 | 28.2 | -33.6 | 0 | 0 | 0 | 114.5 | R350 M351 W352 | R350-P364 HydrophobicContact CB-CB 4.15Å; R350-P364 HydrophobicContact CG-CB 4.39Å; M351-P364 CarbonylContact O-C 3.51Å; M351-P364 WeakPolarHBondContact O-CA 3.31Å; M351-P364 WeakPolarHBondContact O-CB 3.34Å; W352-P364 HydrophobicContact CD2-CB 3.7Å; W352-P364 VanDerWaalsContact CE2-CB 3.48Å; W352-P364 HydrophobicContact CE3-CB 4.34Å; W352-P364 HydrophobicContact CG-CB 3.89Å; W352-P364 HydrophobicContact CZ2-CB 3.95Å; W352-P364 HydrophobicContact CZ2-CG 4.08Å |
| 365 | M | 96.4 | Very high | 94.5 | Very high | 47 Ų | 47 | 60.3 Ų | 60.3 | 23% | 0.232 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 148.2 | 176.1 | -167.1 | 168.4 | -70.7 | 0 | 0 | 110.7 | R350 M351 F363 V369 L370 L404 | R350-M365 CarbonylContact C-O 3.56Å; R350-M365 VanDerWaalsContact CA-O 3.25Å; R350-M365 WeakPolarHBondContact CA-O 3.48Å; M351-M365 PolarHBondContact N-O 3.34Å; M351-M365 PolarHBondContact O-N 3.34Å; F363-M365 HydrophobicContact CD1-CB 4.09Å; F363-M365 HydrophobicContact CE1-CB 3.99Å; M365-V369 HydrophobicContact CG-CB 4.34Å; M365-V369 HydrophobicContact CG-CG1 4.44Å; M365-V369 HydrophobicContact SD-CG1 4.18Å; M365-L370 HydrophobicContact CG-CD2 4.22Å; M365-L370 HydrophobicContact CG-CG 4.29Å; M365-L370 HydrophobicContact SD-CD2 3.4Å; M365-L370 WeakPolarHBondContact SD-CD2 3.24Å; M365-L370 HydrophobicContact SD-CG 4.08Å; M365-L404 HydrophobicContact CE-CD1 4.3Å |
| 366 | Q | 96.2 | Very high | 94.2 | Very high | 87 Ų | 87 | 57.1 Ų | 57.1 | 41% | 0.407 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 136.3 | 175.3 | -71 | -165.1 | 75.8 | 0 | 0 | 110.9 | K349 E368 V369 L370 | K349-Q366 WeakPolarHBondContact O-CA 3.38Å; Q366-E368 PolarHBondContact O-N 3.31Å; Q366-V369 HydrophobicContact CB-CG2 4.19Å; Q366-V369 WeakPolarHBondContact O-CB 3.43Å; Q366-V369 PolarHBondContact O-N 2.94Å; Q366-L370 PolarHBondContact O-N 2.91Å |
| 367 | N | 92.9 | Very high | 94 | Very high | 1 Ų | 1 | 56.4 Ų | 56.4 | 1% | 0.005 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -59.8 | -33.2 | 179.9 | -72.6 | 15.5 | 0 | 0 | 0 | 111.5 | K349 R350 M351 V369 L370 G371 L372 P373 | K349-N367 PolarHBondContact O-N 3.45Å; K349-N367 PolarHBondContact O-OD1 3.11Å; R350-N367 WeakPolarHBondContact CA-OD1 3.38Å; R350-N367 PolarHBondContact N-OD1 3.11Å; M351-N367 PolarHBondContact N-OD1 2.9Å; N367-V369 VanDerWaalsContact C-N 3.25Å; N367-V369 PolarHBondContact O-N 3.49Å; N367-L370 CarbonylContact O-C 3.55Å; N367-L370 WeakPolarHBondContact O-CA 3.48Å; N367-L370 WeakPolarHBondContact O-CB 3.23Å; N367-L370 PolarHBondContact O-N 3.21Å; N367-G371 PolarHBondContact O-N 3.47Å; N367-G371 VanDerWaalsContact O-N 3.11Å; N367-L372 CarbonylContact C-O 3.51Å; N367-L372 HydrophobicContact CB-CB 4.06Å; N367-L372 WeakPolarHBondContact CB-O 3.34Å; N367-L372 PolarHBondContact O-N 3.14Å; N367-P373 PolarHBondContact ND2-O 3.44Å |
| 368 | E | 92.1 | Very high | 93.9 | Very high | 78 Ų | 78 | 52.8 Ų | 52.8 | 36% | 0.364 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -58.9 | -36.3 | 176.3 | -65.2 | 83 | 177.2 | 0 | 0 | 112.4 | Q366 L370 G371 R374 | Q366-E368 PolarHBondContact O-N 3.31Å; E368-L370 VanDerWaalsContact C-N 3.3Å; E368-L370 PolarHBondContact O-N 3.12Å; E368-G371 PolarHBondContact O-N 3.29Å; E368-R374 IonicContact OE1-CZ 3.21Å; E368-R374 IonicContact OE1-NE 3.34Å; E368-R374 PolarHBondContact OE1-NE 3.45Å; E368-R374 IonicContact OE1-NH2 2.74Å; E368-R374 PolarHBondContact OE1-NH2 3.16Å |
| 369 | V | 93.4 | Very high | 93.9 | Very high | 100 Ų | 100 | 48.2 Ų | 48.2 | 61% | 0.606 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -70.3 | -30.8 | 177.2 | 178.8 | 0 | 0 | 0 | 0 | 111.3 | M365 Q366 N367 G371 | M365-V369 HydrophobicContact CG-CB 4.34Å; M365-V369 HydrophobicContact CG-CG1 4.44Å; M365-V369 HydrophobicContact SD-CG1 4.18Å; Q366-V369 HydrophobicContact CB-CG2 4.19Å; Q366-V369 WeakPolarHBondContact O-CB 3.43Å; Q366-V369 PolarHBondContact O-N 2.94Å; N367-V369 VanDerWaalsContact C-N 3.25Å; N367-V369 PolarHBondContact O-N 3.49Å; V369-G371 VanDerWaalsContact C-N 3.3Å |
| 370 | L | 93.3 | Very high | 93.8 | Very high | 2 Ų | 2 | 45.7 Ų | 45.7 | 1% | 0.01 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -81.9 | -8.7 | 178.1 | -57.2 | 171.5 | 0 | 0 | 0 | 112.7 | M351 M365 Q366 N367 E368 L372 L399 L404 Q406 | M351-L370 HydrophobicContact CB-CD1 3.79Å; M351-L370 HydrophobicContact CE-CD1 3.63Å; M351-L370 HydrophobicContact CE-CD2 4.13Å; M351-L370 HydrophobicContact CG-CD1 4.38Å; M351-L370 HydrophobicContact SD-CD1 3.72Å; M365-L370 HydrophobicContact CG-CD2 4.22Å; M365-L370 HydrophobicContact CG-CG 4.29Å; M365-L370 HydrophobicContact SD-CD2 3.4Å; M365-L370 WeakPolarHBondContact SD-CD2 3.24Å; M365-L370 HydrophobicContact SD-CG 4.08Å; Q366-L370 PolarHBondContact O-N 2.91Å; N367-L370 CarbonylContact O-C 3.55Å; N367-L370 WeakPolarHBondContact O-CA 3.48Å; N367-L370 WeakPolarHBondContact O-CB 3.23Å; N367-L370 PolarHBondContact O-N 3.21Å; E368-L370 VanDerWaalsContact C-N 3.3Å; E368-L370 PolarHBondContact O-N 3.12Å; L370-L372 VanDerWaalsContact C-N 3.33Å; L370-L372 HydrophobicContact CB-CB 4.38Å; L370-L372 HydrophobicContact CB-CD1 3.94Å; L370-L372 HydrophobicContact CB-CG 3.89Å; L370-L372 HydrophobicContact CD1-CD1 4.05Å; L370-L399 HydrophobicContact CB-CD1 4.27Å; L370-L404 HydrophobicContact CD2-CB 3.88Å; L370-L404 WeakPolarHBondContact CD2-O 3.26Å; L370-Q406 PolarHBondContact O-N 3.31Å |
| 371 | G | 92.9 | Very high | 93.7 | Very high | 39 Ų | 39 | 46.5 Ų | 46.5 | 40% | 0.402 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.8 | 19.1 | -170.1 | 0 | 0 | 0 | 0 | 0 | 114 | N367 E368 V369 Q406 | N367-G371 PolarHBondContact O-N 3.47Å; N367-G371 VanDerWaalsContact O-N 3.11Å; E368-G371 PolarHBondContact O-N 3.29Å; V369-G371 VanDerWaalsContact C-N 3.3Å; G371-Q406 PolarHBondContact O-OE1 3.06Å |
| 372 | L | 94.6 | Very high | 93.6 | Very high | 10 Ų | 10 | 41.3 Ų | 41.3 | 5% | 0.052 | 22% | 0.223 | C | C | . | . | P | Polyproline II helix | trans | -102.8 | 152.3 | -174.3 | -64.6 | 178.8 | 0 | 0 | 0 | 112.7 | F346 N367 L370 L390 F397 L399 | F346-L372 HydrophobicContact CE1-CD1 4.23Å; N367-L372 CarbonylContact C-O 3.51Å; N367-L372 HydrophobicContact CB-CB 4.06Å; N367-L372 WeakPolarHBondContact CB-O 3.34Å; N367-L372 PolarHBondContact O-N 3.14Å; L370-L372 VanDerWaalsContact C-N 3.33Å; L370-L372 HydrophobicContact CB-CB 4.38Å; L370-L372 HydrophobicContact CB-CD1 3.94Å; L370-L372 HydrophobicContact CB-CG 3.89Å; L370-L372 HydrophobicContact CD1-CD1 4.05Å; L372-L390 HydrophobicContact CD1-CD1 4.39Å; L372-L390 HydrophobicContact CD1-CD2 3.93Å; L372-L390 HydrophobicContact CD2-CD1 4.02Å; L372-F397 HydrophobicContact CD2-CB 3.82Å; L372-F397 HydrophobicContact CD2-CD1 4.31Å; L372-F397 HydrophobicContact CD2-CG 4.28Å; L372-L399 HydrophobicContact CD1-CD1 4.27Å; L372-L399 HydrophobicContact CD1-CD2 4.22Å |
| 373 | P | 91.6 | Very high | 93.3 | Very high | 32 Ų | 32 | 42.4 Ų | 42.4 | 21% | 0.208 | 22% | 0.217 | C | C | . | . | P | Polyproline II helix | trans | -75.1 | 167.7 | 176.2 | 34.8 | -38.1 | 0 | 0 | 0 | 111.2 | N367 L376 K392 F397 | N367-P373 PolarHBondContact ND2-O 3.44Å; P373-L376 HydrophobicContact CG-CD2 3.67Å; P373-K392 HydrophobicContact CB-CG 4.28Å; P373-K392 HydrophobicContact CG-CB 3.94Å; P373-K392 HydrophobicContact CG-CG 4Å; P373-F397 HydrophobicContact CB-CZ 4.16Å; P373-F397 HydrophobicContact CG-CD1 4.47Å; P373-F397 HydrophobicContact CG-CD2 4.07Å; P373-F397 HydrophobicContact CG-CE1 4.03Å; P373-F397 HydrophobicContact CG-CE2 3.63Å; P373-F397 HydrophobicContact CG-CZ 3.59Å |
| 374 | R | 88.9 | Confident | 93 | Very high | 147 Ų | 147 | 45.3 Ų | 45.3 | 56% | 0.555 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -80.8 | 152.4 | 171.1 | -58.7 | -179.2 | 178.6 | 165.6 | 4.8 | 111 | G348 K349 E368 | G348-R374 CarbonylContact O-C 3.58Å; G348-R374 VanDerWaalsContact O-CA 3.3Å; G348-R374 WeakPolarHBondContact O-CA 3.42Å; K349-R374 HydrophobicContact CB-CG 3.86Å; E368-R374 IonicContact OE1-CZ 3.21Å; E368-R374 IonicContact OE1-NE 3.34Å; E368-R374 PolarHBondContact OE1-NE 3.45Å; E368-R374 IonicContact OE1-NH2 2.74Å; E368-R374 PolarHBondContact OE1-NH2 3.16Å |
| 375 | R | 85.4 | Confident | 92.8 | Very high | 114 Ų | 114 | 46.7 Ų | 46.7 | 43% | 0.43 | 24% | 0.243 | S | C | . | . | S | Bend | trans | 55.9 | 61.3 | 173.9 | -56.3 | -173.3 | -57.8 | -172 | 4.7 | 113.5 | E332 G348 K392 | E332-R375 VanDerWaalsContact OE2-CA 3.3Å; E332-R375 WeakPolarHBondContact OE2-CA 3.44Å; G348-R375 PolarHBondContact O-N 3.44Å; R375-K392 WeakPolarHBondContact O-CD 3.4Å; R375-K392 WeakPolarHBondContact O-CE 3.5Å; R375-K392 PolarHBondContact O-NZ 2.77Å |
| 376 | L | 91 | Very high | 92.6 | Very high | 2 Ų | 2 | 45.8 Ų | 45.8 | 1% | 0.01 | 25% | 0.245 | C | C | . | . | trans | -61.1 | 144.8 | 179.7 | -70.5 | 160.5 | 0 | 0 | 0 | 111.7 | F346 P373 L390 K392 | F346-L376 HydrophobicContact CB-CD1 4.12Å; F346-L376 HydrophobicContact CD1-CD1 3.34Å; F346-L376 HydrophobicContact CE1-CD1 3.85Å; F346-L376 HydrophobicContact CG-CD1 3.79Å; P373-L376 HydrophobicContact CG-CD2 3.67Å; L376-L390 HydrophobicContact CD1-CB 4.49Å; L376-L390 HydrophobicContact CD1-CD2 3.49Å; L376-L390 VanDerWaalsContact CD1-CD2 3.49Å; L376-L390 HydrophobicContact CD2-CB 3.91Å; L376-L390 HydrophobicContact CD2-CD2 4.39Å; L376-K392 HydrophobicContact CD2-CB 4.37Å | ||
| 377 | D | 90 | Very high | 92.6 | Very high | 25 Ų | 25 | 43.7 Ų | 43.7 | 13% | 0.134 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -89.9 | -35.7 | -177.9 | -57.2 | -32.3 | 0 | 0 | 0 | 110.9 | K190 F391 K392 G393 T424 N425 | K190-D377 WeakPolarHBondContact CE-O 3.21Å; K190-D377 PolarHBondContact NZ-O 2.92Å; D377-F391 PolarHBondContact N-O 2.94Å; D377-K392 IonicContact OD1-NZ 2.74Å; D377-K392 PolarHBondContact OD1-NZ 3.34Å; D377-K392 WeakPolarHBondContact OD2-CA 3.1Å; D377-K392 IonicContact OD2-NZ 3.17Å; D377-K392 PolarHBondContact OD2-NZ 3.38Å; D377-G393 PolarHBondContact OD2-N 2.79Å; D377-T424 CarbonylContact C-O 3.08Å; D377-N425 CarbonylContact O-C 3.58Å; D377-N425 WeakPolarHBondContact O-CA 3.47Å |
| 378 | C | 94.1 | Very high | 92.8 | Very high | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.007 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 152.2 | 179.4 | -178.1 | 0 | 0 | 0 | 0 | 110.2 | L390 F391 T424 G426 A427 | C378-L390 CarbonylContact O-C 3.47Å; C378-L390 VanDerWaalsContact O-CA 3.31Å; C378-L390 WeakPolarHBondContact O-CA 3.31Å; C378-F391 HydrophobicContact CB-CB 4.15Å; C378-F391 HydrophobicContact CB-CD2 4.26Å; C378-F391 PolarHBondContact N-O 2.64Å; C378-F391 PolarHBondContact O-N 2.94Å; C378-T424 WeakPolarHBondContact CB-O 3.4Å; C378-G426 VanDerWaalsContact SG-CA 3.56Å; C378-A427 VanDerWaalsContact SG-CB 3.52Å; C378-A427 PolarHBondContact SG-N 3.38Å |
| 379 | A | 96.9 | Very high | 93 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.008 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 141.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | A333 A334 A335 F346 V389 L390 | A333-A379 HydrophobicContact CB-CB 3.87Å; A334-A379 VanDerWaalsContact O-O 3.07Å; A335-A379 HydrophobicContact CB-CB 4.2Å; F346-A379 HydrophobicContact CD2-CB 3.84Å; F346-A379 HydrophobicContact CE2-CB 3.58Å; F346-A379 HydrophobicContact CZ-CB 4.4Å; A379-V389 WeakPolarHBondContact CA-O 3.24Å; A379-L390 HydrophobicContact CB-CD2 4.1Å; A379-L390 HydrophobicContact CB-CG 4.22Å |
| 380 | F | 96.6 | Very high | 93.2 | Very high | 3 Ų | 3 | 35.2 Ų | 35.2 | 1% | 0.013 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.5 | 154.1 | 175.7 | 56.5 | -81.6 | 0 | 0 | 0 | 110.2 | Y382 V389 F391 W417 A427 L435 | F380-Y382 HydrophobicContact CD2-CD2 4.37Å; F380-Y382 AromaticContact CE2-CD2 3.73Å; F380-Y382 HydrophobicContact CE2-CD2 3.73Å; F380-Y382 HydrophobicContact CE2-CG 4.12Å; F380-V389 HydrophobicContact CD2-CB 4.41Å; F380-V389 HydrophobicContact CE1-CB 4.12Å; F380-V389 HydrophobicContact CE1-CG1 3.92Å; F380-V389 HydrophobicContact CE2-CB 3.88Å; F380-V389 HydrophobicContact CE2-CG1 4.23Å; F380-V389 HydrophobicContact CE2-CG2 4.39Å; F380-V389 HydrophobicContact CZ-CB 3.73Å; F380-V389 HydrophobicContact CZ-CG1 3.59Å; F380-V389 PolarHBondContact N-O 2.97Å; F380-V389 PolarHBondContact O-N 3.44Å; F380-F391 HydrophobicContact CE1-CD1 4.49Å; F380-F391 HydrophobicContact CE1-CD2 4.19Å; F380-F391 HydrophobicContact CE1-CE1 4.08Å; F380-F391 AromaticContact CE1-CE2 3.73Å; F380-F391 HydrophobicContact CE1-CE2 3.73Å; F380-F391 AromaticContact CE1-CZ 3.68Å; F380-F391 HydrophobicContact CE1-CZ 3.68Å; F380-F391 HydrophobicContact CZ-CE1 4.14Å; F380-F391 HydrophobicContact CZ-CE2 4.11Å; F380-F391 AromaticContact CZ-CZ 3.67Å; F380-F391 HydrophobicContact CZ-CZ 3.67Å; F380-W417 AromaticContact CE2-CH2 4Å; F380-W417 HydrophobicContact CE2-CH2 4Å; F380-W417 HydrophobicContact CE2-CZ3 4.43Å; F380-W417 AromaticContact CZ-CH2 3.81Å; F380-W417 HydrophobicContact CZ-CH2 3.81Å; F380-W417 HydrophobicContact CZ-CZ2 4.3Å; F380-W417 HydrophobicContact CZ-CZ3 4.18Å; F380-A427 HydrophobicContact CB-CB 4.05Å; F380-A427 HydrophobicContact CD1-CB 3.51Å; F380-A427 HydrophobicContact CE1-CB 4.08Å; F380-A427 HydrophobicContact CG-CB 3.82Å; F380-L435 HydrophobicContact CD2-CD1 3.8Å; F380-L435 HydrophobicContact CD2-CD2 4.18Å; F380-L435 HydrophobicContact CE2-CD1 4.01Å; F380-L435 HydrophobicContact CE2-CD2 3.51Å; F380-L435 HydrophobicContact CE2-CG 4.43Å; F380-L435 HydrophobicContact CG-CD1 4.36Å; F380-L435 HydrophobicContact CZ-CD2 3.84Å |
| 381 | Y | 95.6 | Very high | 93.3 | Very high | 29 Ų | 29 | 35.2 Ų | 35.2 | 11% | 0.114 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 123.7 | 169.7 | -172.6 | -96.9 | 0 | 0 | 0 | 109.6 | S337 P338 L339 G386 L401 | S337-Y381 VanDerWaalsContact OG-CD2 3.25Å; S337-Y381 WeakPolarHBondContact OG-CD2 3.44Å; S337-Y381 WeakPolarHBondContact OG-CE2 3.42Å; P338-Y381 VanDerWaalsContact CD-CD1 3.46Å; P338-Y381 HydrophobicContact CG-CD1 3.62Å; P338-Y381 HydrophobicContact CG-CE1 3.77Å; P338-Y381 HydrophobicContact CG-CG 4.31Å; L339-Y381 HydrophobicContact CB-CE2 3.99Å; L339-Y381 HydrophobicContact CD2-CE2 4.46Å; Y381-G386 WeakPolarHBondContact OH-CA 3.15Å; Y381-G386 PolarHBondContact OH-O 3.13Å; Y381-L401 HydrophobicContact CD2-CD1 3.99Å; Y381-L401 HydrophobicContact CE2-CD1 4.15Å |
| 382 | Y | 94.3 | Very high | 93.3 | Very high | 15 Ų | 15 | 36 Ų | 36 | 6% | 0.059 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 97 | -178.2 | -168.7 | -116.5 | 0 | 0 | 0 | 110.1 | F380 P384 L385 G386 H387 V389 W417 L435 P448 | F380-Y382 HydrophobicContact CD2-CD2 4.37Å; F380-Y382 AromaticContact CE2-CD2 3.73Å; F380-Y382 HydrophobicContact CE2-CD2 3.73Å; F380-Y382 HydrophobicContact CE2-CG 4.12Å; Y382-P384 VanDerWaalsContact C-CD 3.41Å; Y382-P384 VanDerWaalsContact C-N 3.34Å; Y382-P384 HydrophobicContact CD1-CB 4.24Å; Y382-P384 HydrophobicContact CD1-CG 4.22Å; Y382-P384 HydrophobicContact CD2-CG 4.49Å; Y382-P384 HydrophobicContact CE1-CB 3.76Å; Y382-P384 HydrophobicContact CE1-CG 3.76Å; Y382-P384 HydrophobicContact CE2-CG 4.06Å; Y382-L385 HydrophobicContact CD1-CB 3.88Å; Y382-L385 HydrophobicContact CD1-CD1 3.7Å; Y382-L385 HydrophobicContact CD1-CG 3.59Å; Y382-L385 HydrophobicContact CE1-CD1 4.15Å; Y382-L385 HydrophobicContact CE1-CG 3.94Å; Y382-L385 PolarHBondContact O-N 2.86Å; Y382-G386 PolarHBondContact O-N 2.77Å; Y382-H387 PolarHBondContact N-O 2.87Å; Y382-V389 HydrophobicContact CD1-CG2 4.41Å; Y382-V389 HydrophobicContact CG-CG2 4.17Å; Y382-W417 HydrophobicContact CD1-CH2 4.2Å; Y382-W417 AromaticContact CD2-CH2 3.88Å; Y382-W417 HydrophobicContact CD2-CH2 3.88Å; Y382-W417 HydrophobicContact CD2-CZ3 4.28Å; Y382-W417 HydrophobicContact CE1-CH2 4.06Å; Y382-W417 AromaticContact CE2-CH2 3.71Å; Y382-W417 HydrophobicContact CE2-CH2 3.71Å; Y382-W417 AromaticContact CE2-CZ3 3.79Å; Y382-W417 HydrophobicContact CE2-CZ3 3.79Å; Y382-W417 HydrophobicContact CG-CH2 4.1Å; Y382-W417 AromaticContact CZ-CH2 3.8Å; Y382-L435 HydrophobicContact CD2-CD2 4.19Å; Y382-L435 HydrophobicContact CE2-CD2 4.11Å; Y382-P448 HydrophobicContact CE2-CB 4.05Å; Y382-P448 VanDerWaalsContact OH-CA 3.3Å; Y382-P448 WeakPolarHBondContact OH-CA 2.91Å; Y382-P448 VanDerWaalsContact OH-CB 3.25Å; Y382-P448 WeakPolarHBondContact OH-CB 3.35Å; Y382-P448 PolarHBondContact OH-O 3.06Å |
| 383 | T | 89.8 | Confident | 92.9 | Very high | 88 Ų | 88 | 36.9 Ų | 36.9 | 54% | 0.54 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.6 | -43.8 | -175.3 | -47.8 | 0 | 0 | 0 | 0 | 114.2 | L385 G386 | T383-L385 PolarHBondContact O-N 3.3Å; T383-G386 PolarHBondContact O-N 2.97Å |
| 384 | P | 91.1 | Very high | 92.8 | Very high | 81 Ų | 81 | 38.1 Ų | 38.1 | 53% | 0.526 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -30.1 | 179.8 | -22.7 | 32.7 | 0 | 0 | 0 | 114.4 | Y382 P448 | Y382-P384 VanDerWaalsContact C-CD 3.41Å; Y382-P384 VanDerWaalsContact C-N 3.34Å; Y382-P384 HydrophobicContact CD1-CB 4.24Å; Y382-P384 HydrophobicContact CD1-CG 4.22Å; Y382-P384 HydrophobicContact CD2-CG 4.49Å; Y382-P384 HydrophobicContact CE1-CB 3.76Å; Y382-P384 HydrophobicContact CE1-CG 3.76Å; Y382-P384 HydrophobicContact CE2-CG 4.06Å; P384-P448 HydrophobicContact CG-CB 3.65Å; P384-P448 HydrophobicContact CG-CG 4.48Å |
| 385 | L | 91.2 | Very high | 93 | Very high | 79 Ų | 79 | 37.5 Ų | 37.5 | 41% | 0.414 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92 | -18.1 | 174.8 | -70.3 | 175.3 | 0 | 0 | 0 | 112.5 | Y382 T383 H387 V389 | Y382-L385 HydrophobicContact CD1-CB 3.88Å; Y382-L385 HydrophobicContact CD1-CD1 3.7Å; Y382-L385 HydrophobicContact CD1-CG 3.59Å; Y382-L385 HydrophobicContact CE1-CD1 4.15Å; Y382-L385 HydrophobicContact CE1-CG 3.94Å; Y382-L385 PolarHBondContact O-N 2.86Å; T383-L385 PolarHBondContact O-N 3.3Å; L385-H387 HydrophobicContact CB-CB 4.39Å; L385-H387 PolarHBondContact O-N 3.16Å; L385-H387 PolarHBondContact O-ND1 2.73Å; L385-V389 HydrophobicContact CD1-CG2 4.32Å |
| 386 | G | 92.3 | Very high | 93.6 | Very high | 28 Ų | 28 | 32.8 Ų | 32.8 | 29% | 0.289 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65.9 | 21.8 | -172 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y381 Y382 T383 | Y381-G386 WeakPolarHBondContact OH-CA 3.15Å; Y381-G386 PolarHBondContact OH-O 3.13Å; Y382-G386 PolarHBondContact O-N 2.77Å; T383-G386 PolarHBondContact O-N 2.97Å |
| 387 | H | 95.9 | Very high | 93.9 | Very high | 43 Ų | 43 | 33.6 Ų | 33.6 | 20% | 0.199 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 163.4 | -174.3 | -73.1 | 74.3 | 0 | 0 | 0 | 111.4 | Y382 L385 V398 N400 E407 | Y382-H387 PolarHBondContact N-O 2.87Å; L385-H387 HydrophobicContact CB-CB 4.39Å; L385-H387 PolarHBondContact O-N 3.16Å; L385-H387 PolarHBondContact O-ND1 2.73Å; H387-V398 HydrophobicContact CB-CG1 3.46Å; H387-V398 VanDerWaalsContact CB-CG1 3.46Å; H387-N400 PolarHBondContact NE2-ND2 2.82Å; H387-E407 IonicContact CD2-OE1 2.8Å; H387-E407 IonicContact NE2-OE1 3.21Å; H387-E407 PolarHBondContact NE2-OE1 3.22Å |
| 388 | M | 97.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 126.5 | 169.5 | -179.2 | 166.5 | -66.8 | 0 | 0 | 109.9 | A335 Y344 F346 L390 V398 L399 L401 | A335-M388 HydrophobicContact CB-CE 3.64Å; A335-M388 HydrophobicContact CB-SD 4.33Å; Y344-M388 HydrophobicContact CD1-CE 4.22Å; Y344-M388 HydrophobicContact CD2-CE 3.59Å; Y344-M388 HydrophobicContact CE2-CE 4.23Å; Y344-M388 HydrophobicContact CG-CE 3.59Å; Y344-M388 HydrophobicContact CG-SD 4.34Å; F346-M388 HydrophobicContact CE2-SD 3.99Å; F346-M388 HydrophobicContact CZ-SD 3.73Å; M388-L390 HydrophobicContact CG-CD1 4.08Å; M388-L390 HydrophobicContact CG-CG 4.15Å; M388-V398 WeakPolarHBondContact O-CA 3.18Å; M388-L399 HydrophobicContact CB-CB 4.3Å; M388-L399 PolarHBondContact N-O 3.45Å; M388-L399 VanDerWaalsContact N-O 3.14Å; M388-L399 PolarHBondContact O-N 3.37Å; M388-L399 HydrophobicContact SD-CD2 4.47Å; M388-L401 HydrophobicContact CB-CD1 4.29Å; M388-L401 HydrophobicContact CB-CD2 3.84Å; M388-L401 HydrophobicContact CB-CG 4.12Å; M388-L401 HydrophobicContact CE-CD1 4.13Å; M388-L401 HydrophobicContact CE-CD2 3.98Å; M388-L401 HydrophobicContact SD-CD2 4.18Å |
| 389 | V | 97.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 135 | 175.4 | 176.4 | 0 | 0 | 0 | 0 | 108.6 | A379 F380 Y382 L385 F391 Y396 F397 V398 W417 | A379-V389 WeakPolarHBondContact CA-O 3.24Å; F380-V389 HydrophobicContact CD2-CB 4.41Å; F380-V389 HydrophobicContact CE1-CB 4.12Å; F380-V389 HydrophobicContact CE1-CG1 3.92Å; F380-V389 HydrophobicContact CE2-CB 3.88Å; F380-V389 HydrophobicContact CE2-CG1 4.23Å; F380-V389 HydrophobicContact CE2-CG2 4.39Å; F380-V389 HydrophobicContact CZ-CB 3.73Å; F380-V389 HydrophobicContact CZ-CG1 3.59Å; F380-V389 PolarHBondContact N-O 2.97Å; F380-V389 PolarHBondContact O-N 3.44Å; Y382-V389 HydrophobicContact CD1-CG2 4.41Å; Y382-V389 HydrophobicContact CG-CG2 4.17Å; L385-V389 HydrophobicContact CD1-CG2 4.32Å; V389-F391 HydrophobicContact CG1-CD1 3.94Å; V389-F391 HydrophobicContact CG1-CE1 3.4Å; V389-F391 HydrophobicContact CG1-CZ 4.18Å; V389-Y396 HydrophobicContact CG1-CD2 4.11Å; V389-F397 WeakPolarHBondContact CA-O 3.45Å; V389-V398 HydrophobicContact CG2-CG2 4.32Å; V389-W417 HydrophobicContact CG1-CH2 4.41Å; V389-W417 HydrophobicContact CG1-CZ2 3.82Å; V389-W417 HydrophobicContact CG2-CZ2 4.37Å |
| 390 | L | 97.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 134.1 | 179.9 | -44.8 | 93.1 | 0 | 0 | 0 | 110.8 | F346 L372 L376 C378 A379 M388 Y396 F397 L399 | F346-L390 HydrophobicContact CD1-CD2 4.2Å; F346-L390 HydrophobicContact CE1-CD2 3.49Å; F346-L390 VanDerWaalsContact CE1-CD2 3.49Å; F346-L390 HydrophobicContact CE2-CD2 4.04Å; F346-L390 HydrophobicContact CZ-CD2 3.42Å; F346-L390 VanDerWaalsContact CZ-CD2 3.42Å; L372-L390 HydrophobicContact CD1-CD1 4.39Å; L372-L390 HydrophobicContact CD1-CD2 3.93Å; L372-L390 HydrophobicContact CD2-CD1 4.02Å; L376-L390 HydrophobicContact CD1-CB 4.49Å; L376-L390 HydrophobicContact CD1-CD2 3.49Å; L376-L390 VanDerWaalsContact CD1-CD2 3.49Å; L376-L390 HydrophobicContact CD2-CB 3.91Å; L376-L390 HydrophobicContact CD2-CD2 4.39Å; C378-L390 CarbonylContact O-C 3.47Å; C378-L390 VanDerWaalsContact O-CA 3.31Å; C378-L390 WeakPolarHBondContact O-CA 3.31Å; A379-L390 HydrophobicContact CB-CD2 4.1Å; A379-L390 HydrophobicContact CB-CG 4.22Å; M388-L390 HydrophobicContact CG-CD1 4.08Å; M388-L390 HydrophobicContact CG-CG 4.15Å; L390-Y396 CarbonylContact O-C 3.17Å; L390-Y396 VanDerWaalsContact O-CA 3.27Å; L390-Y396 WeakPolarHBondContact O-CA 3.23Å; L390-F397 HydrophobicContact CB-CB 4.47Å; L390-F397 HydrophobicContact CD1-CB 4.46Å; L390-F397 PolarHBondContact N-O 3.29Å; L390-F397 PolarHBondContact O-N 3.38Å; L390-L399 HydrophobicContact CD1-CB 3.71Å |
| 391 | F | 95.8 | Very high | 94.3 | Very high | 2 Ų | 2 | 34.1 Ų | 34.1 | 1% | 0.009 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 140.9 | -179 | -63.7 | -17.3 | 0 | 0 | 0 | 111.9 | D377 C378 F380 V389 Y396 L414 W417 L420 T424 L437 | D377-F391 PolarHBondContact N-O 2.94Å; C378-F391 HydrophobicContact CB-CB 4.15Å; C378-F391 HydrophobicContact CB-CD2 4.26Å; C378-F391 PolarHBondContact N-O 2.64Å; C378-F391 PolarHBondContact O-N 2.94Å; F380-F391 HydrophobicContact CE1-CD1 4.49Å; F380-F391 HydrophobicContact CE1-CD2 4.19Å; F380-F391 HydrophobicContact CE1-CE1 4.08Å; F380-F391 AromaticContact CE1-CE2 3.73Å; F380-F391 HydrophobicContact CE1-CE2 3.73Å; F380-F391 AromaticContact CE1-CZ 3.68Å; F380-F391 HydrophobicContact CE1-CZ 3.68Å; F380-F391 HydrophobicContact CZ-CE1 4.14Å; F380-F391 HydrophobicContact CZ-CE2 4.11Å; F380-F391 AromaticContact CZ-CZ 3.67Å; F380-F391 HydrophobicContact CZ-CZ 3.67Å; V389-F391 HydrophobicContact CG1-CD1 3.94Å; V389-F391 HydrophobicContact CG1-CE1 3.4Å; V389-F391 HydrophobicContact CG1-CZ 4.18Å; F391-Y396 HydrophobicContact CD1-CG 4.41Å; F391-Y396 VanDerWaalsContact CE1-CB 3.49Å; F391-Y396 HydrophobicContact CE1-CD2 4.48Å; F391-Y396 HydrophobicContact CE1-CG 4.15Å; F391-L414 HydrophobicContact CD1-CD1 3.85Å; F391-L414 HydrophobicContact CD2-CD1 4.05Å; F391-L414 HydrophobicContact CE1-CD1 3.79Å; F391-L414 HydrophobicContact CE2-CD1 4Å; F391-L414 HydrophobicContact CG-CD1 3.96Å; F391-L414 HydrophobicContact CZ-CD1 3.86Å; F391-W417 HydrophobicContact CE1-CD2 4.33Å; F391-W417 AromaticContact CE1-CE2 3.79Å; F391-W417 HydrophobicContact CE1-CZ2 4.09Å; F391-W417 AromaticContact CE1-NE1 3.73Å; F391-W417 AromaticContact CZ-CD2 3.78Å; F391-W417 HydrophobicContact CZ-CD2 3.78Å; F391-W417 AromaticContact CZ-CE2 3.67Å; F391-W417 HydrophobicContact CZ-CE3 4.2Å; F391-W417 HydrophobicContact CZ-CG 4.15Å; F391-W417 HydrophobicContact CZ-CH2 4.46Å; F391-W417 HydrophobicContact CZ-CZ2 4.05Å; F391-W417 AromaticContact CZ-NE1 3.94Å; F391-L420 HydrophobicContact CD2-CD2 4.3Å; F391-L420 HydrophobicContact CE2-CD2 3.5Å; F391-L420 HydrophobicContact CZ-CD2 4.06Å; F391-T424 WeakPolarHBondContact CD2-OG1 3.41Å; F391-L437 HydrophobicContact CD2-CD2 4.38Å; F391-L437 HydrophobicContact CE2-CD2 3.51Å; F391-L437 HydrophobicContact CZ-CD2 4.33Å |
| 392 | K | 91.9 | Very high | 94.1 | Very high | 57 Ų | 57 | 41 Ų | 41 | 25% | 0.248 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 111.3 | 172.5 | -175.9 | 70.7 | -149.7 | 146.5 | 0 | 110.9 | P373 R375 L376 D377 S394 R395 F397 | P373-K392 HydrophobicContact CB-CG 4.28Å; P373-K392 HydrophobicContact CG-CB 3.94Å; P373-K392 HydrophobicContact CG-CG 4Å; R375-K392 WeakPolarHBondContact O-CD 3.4Å; R375-K392 WeakPolarHBondContact O-CE 3.5Å; R375-K392 PolarHBondContact O-NZ 2.77Å; L376-K392 HydrophobicContact CD2-CB 4.37Å; D377-K392 IonicContact OD1-NZ 2.74Å; D377-K392 PolarHBondContact OD1-NZ 3.34Å; D377-K392 WeakPolarHBondContact OD2-CA 3.1Å; D377-K392 IonicContact OD2-NZ 3.17Å; D377-K392 PolarHBondContact OD2-NZ 3.38Å; K392-S394 PolarHBondContact O-N 2.88Å; K392-R395 CarbonylContact C-O 3.6Å; K392-R395 PolarHBondContact N-O 3.41Å; K392-R395 PolarHBondContact O-N 3.47Å; K392-R395 VanDerWaalsContact O-O 3.09Å; K392-F397 HydrophobicContact CB-CD2 4.47Å; K392-F397 HydrophobicContact CB-CE2 3.91Å |
| 393 | G | 87.6 | Confident | 94.1 | Very high | 28 Ų | 28 | 44.4 Ų | 44.4 | 29% | 0.289 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.6 | -120.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | D377 R395 | D377-G393 PolarHBondContact OD2-N 2.79Å; G393-R395 VanDerWaalsContact C-N 3.34Å |
| 394 | S | 88.6 | Confident | 94.4 | Very high | 58 Ų | 58 | 41.5 Ų | 41.5 | 41% | 0.406 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90 | 9.7 | 178.6 | 61 | 0 | 0 | 0 | 0 | 114.3 | K392 L414 | K392-S394 PolarHBondContact O-N 2.88Å; S394-L414 PolarHBondContact O-N 3.47Å |
| 395 | R | 94.3 | Very high | 94.5 | Very high | 134 Ų | 134 | 46 Ų | 46 | 51% | 0.506 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 157.6 | -175.6 | -64.6 | -172.1 | -175.5 | -171.2 | 0.1 | 112.9 | K392 G393 F397 P411 R412 | K392-R395 CarbonylContact C-O 3.6Å; K392-R395 PolarHBondContact N-O 3.41Å; K392-R395 PolarHBondContact O-N 3.47Å; K392-R395 VanDerWaalsContact O-O 3.09Å; G393-R395 VanDerWaalsContact C-N 3.34Å; R395-F397 HydrophobicContact CB-CE2 4.2Å; R395-P411 HydrophobicContact CB-CB 4.23Å; R395-R412 CarbonylContact C-O 3.57Å; R395-R412 WeakPolarHBondContact CA-O 3.47Å; R395-R412 WeakPolarHBondContact CB-O 3.5Å |
| 396 | Y | 96.3 | Very high | 94.8 | Very high | 14 Ų | 14 | 44.5 Ų | 44.5 | 6% | 0.055 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 153.7 | 170 | 76.1 | -77.1 | 0 | 0 | 0 | 112.5 | V389 L390 F391 V398 Y410 P411 R412 R413 D416 W417 | V389-Y396 HydrophobicContact CG1-CD2 4.11Å; L390-Y396 CarbonylContact O-C 3.17Å; L390-Y396 VanDerWaalsContact O-CA 3.27Å; L390-Y396 WeakPolarHBondContact O-CA 3.23Å; F391-Y396 HydrophobicContact CD1-CG 4.41Å; F391-Y396 VanDerWaalsContact CE1-CB 3.49Å; F391-Y396 HydrophobicContact CE1-CD2 4.48Å; F391-Y396 HydrophobicContact CE1-CG 4.15Å; Y396-V398 HydrophobicContact CD2-CG2 4.25Å; Y396-V398 HydrophobicContact CE2-CG2 4.17Å; Y396-Y410 HydrophobicContact CD2-CD1 4.32Å; Y396-Y410 AromaticContact CD2-CE1 3.97Å; Y396-Y410 HydrophobicContact CD2-CE1 3.97Å; Y396-Y410 HydrophobicContact CE2-CD1 4.07Å; Y396-Y410 AromaticContact CE2-CE1 3.31Å; Y396-Y410 HydrophobicContact CE2-CE1 3.31Å; Y396-Y410 AromaticContact CZ-CE1 3.66Å; Y396-P411 CarbonylContact O-C 3.57Å; Y396-P411 WeakPolarHBondContact O-CA 3.46Å; Y396-P411 WeakPolarHBondContact O-CB 3.45Å; Y396-R412 HydrophobicContact CD1-CB 3.98Å; Y396-R412 WeakPolarHBondContact CD1-O 3.49Å; Y396-R412 HydrophobicContact CE1-CB 3.31Å; Y396-R412 PolarHBondContact N-O 3.24Å; Y396-R412 PolarHBondContact O-N 3.22Å; Y396-R413 WeakPolarHBondContact CE1-O 3.37Å; Y396-D416 HydrophobicContact CE1-CB 3.92Å; Y396-D416 WeakPolarHBondContact CE1-OD2 3.5Å; Y396-D416 PolarHBondContact OH-OD2 3.11Å; Y396-W417 AromaticContact CD1-CD1 3.95Å; Y396-W417 AromaticContact CD1-NE1 3.61Å; Y396-W417 AromaticContact CD2-NE1 3.65Å; Y396-W417 AromaticContact CE1-NE1 3.67Å; Y396-W417 HydrophobicContact CE2-CZ2 4.47Å; Y396-W417 AromaticContact CE2-NE1 3.66Å; Y396-W417 AromaticContact CG-NE1 3.61Å; Y396-W417 AromaticContact CZ-NE1 3.7Å |
| 397 | F | 97.4 | Very high | 95 | Very high | 20 Ų | 20 | 45.6 Ų | 45.6 | 9% | 0.088 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 149.3 | -174.6 | -59.5 | -104.3 | 0 | 0 | 0 | 107.8 | L372 P373 V389 L390 K392 R395 Q406 P411 | L372-F397 HydrophobicContact CD2-CB 3.82Å; L372-F397 HydrophobicContact CD2-CD1 4.31Å; L372-F397 HydrophobicContact CD2-CG 4.28Å; P373-F397 HydrophobicContact CB-CZ 4.16Å; P373-F397 HydrophobicContact CG-CD1 4.47Å; P373-F397 HydrophobicContact CG-CD2 4.07Å; P373-F397 HydrophobicContact CG-CE1 4.03Å; P373-F397 HydrophobicContact CG-CE2 3.63Å; P373-F397 HydrophobicContact CG-CZ 3.59Å; V389-F397 WeakPolarHBondContact CA-O 3.45Å; L390-F397 HydrophobicContact CB-CB 4.47Å; L390-F397 HydrophobicContact CD1-CB 4.46Å; L390-F397 PolarHBondContact N-O 3.29Å; L390-F397 PolarHBondContact O-N 3.38Å; K392-F397 HydrophobicContact CB-CD2 4.47Å; K392-F397 HydrophobicContact CB-CE2 3.91Å; R395-F397 HydrophobicContact CB-CE2 4.2Å; F397-Q406 VanDerWaalsContact CD1-OE1 3.3Å; F397-P411 HydrophobicContact CD1-CB 3.81Å; F397-P411 HydrophobicContact CD1-CG 4.35Å; F397-P411 HydrophobicContact CD2-CB 4.28Å; F397-P411 HydrophobicContact CE1-CB 3.48Å; F397-P411 VanDerWaalsContact CE1-CB 3.48Å; F397-P411 HydrophobicContact CE1-CG 3.66Å; F397-P411 HydrophobicContact CE2-CB 3.95Å; F397-P411 HydrophobicContact CG-CB 4.18Å; F397-P411 HydrophobicContact CZ-CB 3.55Å; F397-P411 HydrophobicContact CZ-CG 3.84Å |
| 398 | V | 97.8 | Very high | 94.8 | Very high | 4 Ų | 4 | 47.7 Ų | 47.7 | 2% | 0.024 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 124.2 | 175.4 | 178.5 | 0 | 0 | 0 | 0 | 108.2 | H387 M388 V389 Y396 Q406 E407 Y410 | H387-V398 HydrophobicContact CB-CG1 3.46Å; H387-V398 VanDerWaalsContact CB-CG1 3.46Å; M388-V398 WeakPolarHBondContact O-CA 3.18Å; V389-V398 HydrophobicContact CG2-CG2 4.32Å; Y396-V398 HydrophobicContact CD2-CG2 4.25Å; Y396-V398 HydrophobicContact CE2-CG2 4.17Å; V398-Q406 CarbonylContact O-C 3.28Å; V398-Q406 WeakPolarHBondContact O-CA 3.37Å; V398-Q406 WeakPolarHBondContact O-CG 3.34Å; V398-E407 HydrophobicContact CB-CB 4.28Å; V398-E407 HydrophobicContact CB-CG 4.47Å; V398-E407 HydrophobicContact CG1-CB 4.25Å; V398-E407 HydrophobicContact CG1-CG 3.91Å; V398-E407 PolarHBondContact O-N 2.73Å; V398-Y410 HydrophobicContact CB-CD1 4.29Å; V398-Y410 HydrophobicContact CB-CD2 3.72Å; V398-Y410 HydrophobicContact CB-CE1 4.23Å; V398-Y410 HydrophobicContact CB-CE2 3.59Å; V398-Y410 HydrophobicContact CB-CG 4.06Å; V398-Y410 HydrophobicContact CG1-CE2 4.31Å; V398-Y410 HydrophobicContact CG2-CD1 3.82Å; V398-Y410 HydrophobicContact CG2-CD2 4Å; V398-Y410 HydrophobicContact CG2-CE1 3.42Å; V398-Y410 VanDerWaalsContact CG2-CE1 3.42Å; V398-Y410 HydrophobicContact CG2-CE2 3.57Å; V398-Y410 HydrophobicContact CG2-CG 4.1Å |
| 399 | L | 97.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 127.5 | -179.2 | -179.3 | 74.3 | 0 | 0 | 0 | 109.4 | M351 L370 L372 M388 L390 L401 | M351-L399 HydrophobicContact CE-CD2 4.4Å; M351-L399 HydrophobicContact SD-CD2 4.05Å; L370-L399 HydrophobicContact CB-CD1 4.27Å; L372-L399 HydrophobicContact CD1-CD1 4.27Å; L372-L399 HydrophobicContact CD1-CD2 4.22Å; M388-L399 HydrophobicContact CB-CB 4.3Å; M388-L399 PolarHBondContact N-O 3.45Å; M388-L399 VanDerWaalsContact N-O 3.14Å; M388-L399 PolarHBondContact O-N 3.37Å; M388-L399 HydrophobicContact SD-CD2 4.47Å; L390-L399 HydrophobicContact CD1-CB 3.71Å; L399-L401 HydrophobicContact CD2-CD2 3.92Å; L399-L401 HydrophobicContact CG-CD2 4.34Å |
| 400 | N | 96 | Very high | 94.4 | Very high | 28 Ų | 28 | 60.3 Ų | 60.3 | 15% | 0.15 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 116.8 | 169.8 | -169.7 | -48.9 | 0 | 0 | 0 | 109.8 | H387 K402 T403 L404 R405 E407 | H387-N400 PolarHBondContact NE2-ND2 2.82Å; N400-K402 VanDerWaalsContact C-N 3.28Å; N400-K402 PolarHBondContact O-N 2.88Å; N400-K402 WeakPolarHBondContact OD1-CB 3.23Å; N400-K402 PolarHBondContact OD1-N 3.1Å; N400-T403 WeakPolarHBondContact CB-OG1 3.42Å; N400-T403 PolarHBondContact OD1-N 2.84Å; N400-L404 WeakPolarHBondContact O-CA 3.4Å; N400-L404 PolarHBondContact O-N 2.98Å; N400-R405 WeakPolarHBondContact CB-O 3.25Å; N400-R405 PolarHBondContact N-O 3.26Å; N400-E407 HydrophobicContact CB-CG 4.48Å; N400-E407 VanDerWaalsContact CB-OE1 3.27Å; N400-E407 WeakPolarHBondContact CB-OE1 3.41Å; N400-E407 PolarHBondContact ND2-OE1 3.45Å |
| 401 | L | 95.1 | Very high | 94.4 | Very high | 9 Ų | 9 | 62.6 Ų | 62.6 | 5% | 0.047 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75 | -18.5 | -175.9 | -62.3 | -177.6 | 0 | 0 | 0 | 113.4 | S337 L339 Y344 Y381 M388 L399 | S337-L401 WeakPolarHBondContact OG-CD1 3.48Å; L339-L401 HydrophobicContact CD2-CB 4.49Å; Y344-L401 HydrophobicContact CD1-CD2 4.39Å; Y344-L401 HydrophobicContact CE1-CD2 3.78Å; Y344-L401 HydrophobicContact CE2-CD1 4.1Å; Y344-L401 HydrophobicContact CE2-CD2 4.32Å; Y381-L401 HydrophobicContact CD2-CD1 3.99Å; Y381-L401 HydrophobicContact CE2-CD1 4.15Å; M388-L401 HydrophobicContact CB-CD1 4.29Å; M388-L401 HydrophobicContact CB-CD2 3.84Å; M388-L401 HydrophobicContact CB-CG 4.12Å; M388-L401 HydrophobicContact CE-CD1 4.13Å; M388-L401 HydrophobicContact CE-CD2 3.98Å; M388-L401 HydrophobicContact SD-CD2 4.18Å; L399-L401 HydrophobicContact CD2-CD2 3.92Å; L399-L401 HydrophobicContact CG-CD2 4.34Å |
| 402 | K | 92.6 | Very high | 94.4 | Very high | 173 Ų | 173 | 68 Ų | 68 | 75% | 0.752 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -48 | 175.8 | -62.1 | -178 | 179.1 | 179.8 | 0 | 111.2 | N400 | N400-K402 VanDerWaalsContact C-N 3.28Å; N400-K402 PolarHBondContact O-N 2.88Å; N400-K402 WeakPolarHBondContact OD1-CB 3.23Å; N400-K402 PolarHBondContact OD1-N 3.1Å |
| 403 | T | 94.5 | Very high | 94.5 | Very high | 86 Ų | 86 | 74.1 Ų | 74.1 | 53% | 0.528 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | -13.9 | -178 | 65.2 | 0 | 0 | 0 | 0 | 113.3 | N400 R405 | N400-T403 WeakPolarHBondContact CB-OG1 3.42Å; N400-T403 PolarHBondContact OD1-N 2.84Å; T403-R405 PolarHBondContact O-N 3.12Å; T403-R405 PolarHBondContact OG1-N 3.1Å |
| 404 | L | 94.7 | Very high | 94.8 | Very high | 28 Ų | 28 | 73.1 Ų | 73.1 | 15% | 0.147 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 52.7 | 37.5 | -171.7 | -62.5 | 177.5 | 0 | 0 | 0 | 112.7 | M351 F363 M365 L370 N400 | M351-L404 HydrophobicContact CE-CD2 4.14Å; F363-L404 HydrophobicContact CZ-CD1 3.83Å; M365-L404 HydrophobicContact CE-CD1 4.3Å; L370-L404 HydrophobicContact CD2-CB 3.88Å; L370-L404 WeakPolarHBondContact CD2-O 3.26Å; N400-L404 WeakPolarHBondContact O-CA 3.4Å; N400-L404 PolarHBondContact O-N 2.98Å |
| 405 | R | 94.3 | Very high | 95 | Very high | 176 Ų | 176 | 75.5 Ų | 75.5 | 66% | 0.664 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124 | 147.1 | 175.4 | -69.2 | -172 | 176.7 | -164.8 | -0.4 | 110.8 | N400 T403 E407 | N400-R405 WeakPolarHBondContact CB-O 3.25Å; N400-R405 PolarHBondContact N-O 3.26Å; T403-R405 PolarHBondContact O-N 3.12Å; T403-R405 PolarHBondContact OG1-N 3.1Å; R405-E407 PolarHBondContact O-N 2.94Å |
| 406 | Q | 96.3 | Very high | 95 | Very high | 46 Ų | 46 | 71.4 Ų | 71.4 | 22% | 0.215 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.2 | 134.9 | 167.9 | -164.8 | -153.4 | -92.3 | 0 | 0 | 109.3 | L370 G371 F397 V398 Y410 | L370-Q406 PolarHBondContact O-N 3.31Å; G371-Q406 PolarHBondContact O-OE1 3.06Å; F397-Q406 VanDerWaalsContact CD1-OE1 3.3Å; V398-Q406 CarbonylContact O-C 3.28Å; V398-Q406 WeakPolarHBondContact O-CA 3.37Å; V398-Q406 WeakPolarHBondContact O-CG 3.34Å; Q406-Y410 PolarHBondContact NE2-O 3.36Å |
| 407 | E | 96.7 | Very high | 94.9 | Very high | 52 Ų | 52 | 71.3 Ų | 71.3 | 24% | 0.243 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -62.1 | 143.8 | 173.9 | -77.7 | -63.8 | 147.3 | 0 | 0 | 110.6 | H387 V398 N400 R405 Y410 | H387-E407 IonicContact CD2-OE1 2.8Å; H387-E407 IonicContact NE2-OE1 3.21Å; H387-E407 PolarHBondContact NE2-OE1 3.22Å; V398-E407 HydrophobicContact CB-CB 4.28Å; V398-E407 HydrophobicContact CB-CG 4.47Å; V398-E407 HydrophobicContact CG1-CB 4.25Å; V398-E407 HydrophobicContact CG1-CG 3.91Å; V398-E407 PolarHBondContact O-N 2.73Å; N400-E407 HydrophobicContact CB-CG 4.48Å; N400-E407 VanDerWaalsContact CB-OE1 3.27Å; N400-E407 WeakPolarHBondContact CB-OE1 3.41Å; N400-E407 PolarHBondContact ND2-OE1 3.45Å; R405-E407 PolarHBondContact O-N 2.94Å; E407-Y410 HydrophobicContact CB-CD2 3.74Å; E407-Y410 HydrophobicContact CB-CE2 4.04Å |
| 408 | P | 92.1 | Very high | 94.8 | Very high | 86 Ų | 86 | 74.4 Ų | 74.4 | 56% | 0.558 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | 155.4 | 168.9 | -23.5 | 35.2 | 0 | 0 | 0 | 110.9 | Y410 | P408-Y410 VanDerWaalsContact C-N 3.28Å; P408-Y410 WeakPolarHBondContact O-CD2 3.09Å; P408-Y410 PolarHBondContact O-N 3.39Å |
| 409 | Y | 92.1 | Very high | 94.4 | Very high | 215 Ų | 215 | 76.9 Ų | 76.9 | 84% | 0.843 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.1 | -4.5 | -176.5 | -47.4 | -79.6 | 0 | 0 | 0 | 117 | ||
| 410 | Y | 94.8 | Very high | 94.2 | Very high | 51 Ų | 51 | 77.8 Ų | 77.8 | 20% | 0.2 | 38% | 0.381 | C | S | . | . | trans | -98.3 | 157 | 172.4 | -68.7 | -78.3 | 0 | 0 | 0 | 112.1 | Y396 V398 Q406 E407 P408 R412 | Y396-Y410 HydrophobicContact CD2-CD1 4.32Å; Y396-Y410 AromaticContact CD2-CE1 3.97Å; Y396-Y410 HydrophobicContact CD2-CE1 3.97Å; Y396-Y410 HydrophobicContact CE2-CD1 4.07Å; Y396-Y410 AromaticContact CE2-CE1 3.31Å; Y396-Y410 HydrophobicContact CE2-CE1 3.31Å; Y396-Y410 AromaticContact CZ-CE1 3.66Å; V398-Y410 HydrophobicContact CB-CD1 4.29Å; V398-Y410 HydrophobicContact CB-CD2 3.72Å; V398-Y410 HydrophobicContact CB-CE1 4.23Å; V398-Y410 HydrophobicContact CB-CE2 3.59Å; V398-Y410 HydrophobicContact CB-CG 4.06Å; V398-Y410 HydrophobicContact CG1-CE2 4.31Å; V398-Y410 HydrophobicContact CG2-CD1 3.82Å; V398-Y410 HydrophobicContact CG2-CD2 4Å; V398-Y410 HydrophobicContact CG2-CE1 3.42Å; V398-Y410 VanDerWaalsContact CG2-CE1 3.42Å; V398-Y410 HydrophobicContact CG2-CE2 3.57Å; V398-Y410 HydrophobicContact CG2-CG 4.1Å; Q406-Y410 PolarHBondContact NE2-O 3.36Å; E407-Y410 HydrophobicContact CB-CD2 3.74Å; E407-Y410 HydrophobicContact CB-CE2 4.04Å; P408-Y410 VanDerWaalsContact C-N 3.28Å; P408-Y410 WeakPolarHBondContact O-CD2 3.09Å; P408-Y410 PolarHBondContact O-N 3.39Å; Y410-R412 HydrophobicContact CD1-CB 4.11Å; Y410-R412 HydrophobicContact CD1-CG 3.98Å; Y410-R412 HydrophobicContact CE1-CB 4.15Å; Y410-R412 HydrophobicContact CE1-CG 3.97Å | ||
| 411 | P | 96 | Very high | 93.7 | Very high | 47 Ų | 47 | 78 Ų | 78 | 31% | 0.305 | 38% | 0.383 | S | S | . | . | cis | -77.1 | 150.2 | 0.3 | 29.8 | -34.3 | 0 | 0 | 0 | 114.7 | R395 Y396 F397 | R395-P411 HydrophobicContact CB-CB 4.23Å; Y396-P411 CarbonylContact O-C 3.57Å; Y396-P411 WeakPolarHBondContact O-CA 3.46Å; Y396-P411 WeakPolarHBondContact O-CB 3.45Å; F397-P411 HydrophobicContact CD1-CB 3.81Å; F397-P411 HydrophobicContact CD1-CG 4.35Å; F397-P411 HydrophobicContact CD2-CB 4.28Å; F397-P411 HydrophobicContact CE1-CB 3.48Å; F397-P411 VanDerWaalsContact CE1-CB 3.48Å; F397-P411 HydrophobicContact CE1-CG 3.66Å; F397-P411 HydrophobicContact CE2-CB 3.95Å; F397-P411 HydrophobicContact CG-CB 4.18Å; F397-P411 HydrophobicContact CZ-CB 3.55Å; F397-P411 HydrophobicContact CZ-CG 3.84Å | ||
| 412 | R | 96.2 | Very high | 93.2 | Very high | 115 Ų | 115 | 82.9 Ų | 82.9 | 43% | 0.434 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 168.4 | 173.1 | -75.8 | -172.7 | 60.2 | 158.5 | 3.3 | 111.6 | R395 Y396 Y410 D416 | R395-R412 CarbonylContact C-O 3.57Å; R395-R412 WeakPolarHBondContact CA-O 3.47Å; R395-R412 WeakPolarHBondContact CB-O 3.5Å; Y396-R412 HydrophobicContact CD1-CB 3.98Å; Y396-R412 WeakPolarHBondContact CD1-O 3.49Å; Y396-R412 HydrophobicContact CE1-CB 3.31Å; Y396-R412 PolarHBondContact N-O 3.24Å; Y396-R412 PolarHBondContact O-N 3.22Å; Y410-R412 HydrophobicContact CD1-CB 4.11Å; Y410-R412 HydrophobicContact CD1-CG 3.98Å; Y410-R412 HydrophobicContact CE1-CB 4.15Å; Y410-R412 HydrophobicContact CE1-CG 3.97Å; R412-D416 WeakPolarHBondContact CB-OD2 3.38Å; R412-D416 IonicContact CZ-OD1 2.74Å; R412-D416 IonicContact CZ-OD2 3.52Å; R412-D416 IonicContact NE-OD2 3.76Å; R412-D416 PolarHBondContact NE-OD2 3.39Å; R412-D416 IonicContact NH2-OD1 3.19Å; R412-D416 PolarHBondContact NH2-OD1 3.21Å; R412-D416 IonicContact NH2-OD2 3.86Å; R412-D416 PolarHBondContact NH2-OD2 2.93Å |
| 413 | R | 94.9 | Very high | 92.6 | Very high | 187 Ų | 187 | 76.1 Ų | 76.1 | 71% | 0.706 | 39% | 0.385 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 141.7 | -178.3 | -66.5 | -174.2 | 180 | -151.1 | 1.2 | 110.6 | Y396 T415 D416 | Y396-R413 WeakPolarHBondContact CE1-O 3.37Å; R413-T415 WeakPolarHBondContact CB-OG1 3.34Å; R413-T415 PolarHBondContact O-N 2.72Å; R413-T415 VanDerWaalsContact O-N 3.07Å; R413-D416 PolarHBondContact O-N 3.39Å; R413-D416 VanDerWaalsContact O-N 3.15Å |
| 414 | L | 93.6 | Very high | 92.3 | Very high | 7 Ų | 7 | 72 Ų | 72 | 4% | 0.037 | 36% | 0.36 | C | S | . | . | G | 310 helix | trans | -63.4 | -15.9 | 178.2 | -162.6 | 70 | 0 | 0 | 0 | 112.7 | F391 S394 D416 W417 L420 Q422 | F391-L414 HydrophobicContact CD1-CD1 3.85Å; F391-L414 HydrophobicContact CD2-CD1 4.05Å; F391-L414 HydrophobicContact CE1-CD1 3.79Å; F391-L414 HydrophobicContact CE2-CD1 4Å; F391-L414 HydrophobicContact CG-CD1 3.96Å; F391-L414 HydrophobicContact CZ-CD1 3.86Å; S394-L414 PolarHBondContact O-N 3.47Å; L414-D416 PolarHBondContact O-N 3.22Å; L414-D416 VanDerWaalsContact O-N 3.14Å; L414-W417 HydrophobicContact CD1-CG 4.42Å; L414-W417 WeakPolarHBondContact O-CB 3.17Å; L414-W417 PolarHBondContact O-N 3.02Å; L414-L420 HydrophobicContact CD1-CD2 4.14Å; L414-L420 HydrophobicContact CD2-CD2 4.41Å; L414-L420 HydrophobicContact CG-CD2 4.37Å; L414-Q422 HydrophobicContact CD2-CB 4.43Å; L414-Q422 HydrophobicContact CD2-CG 4.06Å |
| 415 | T | 92.9 | Very high | 91.9 | Very high | 107 Ų | 107 | 70.8 Ų | 70.8 | 66% | 0.656 | 35% | 0.353 | S | S | * | . | G | 310 helix | trans | -59 | -20.3 | 173.4 | 50.8 | 0 | 0 | 0 | 0 | 113.7 | R413 W417 | R413-T415 WeakPolarHBondContact CB-OG1 3.34Å; R413-T415 PolarHBondContact O-N 2.72Å; R413-T415 VanDerWaalsContact O-N 3.07Å; T415-W417 PolarHBondContact O-N 3.38Å |
| 416 | D | 93.7 | Very high | 91.7 | Very high | 49 Ų | 49 | 62.5 Ų | 62.5 | 26% | 0.262 | 32% | 0.323 | S | S | . | . | G | 310 helix | trans | -63.2 | -20.5 | 171 | -63.2 | -32.9 | 0 | 0 | 0 | 112 | Y396 R412 R413 L414 T418 V451 | Y396-D416 HydrophobicContact CE1-CB 3.92Å; Y396-D416 WeakPolarHBondContact CE1-OD2 3.5Å; Y396-D416 PolarHBondContact OH-OD2 3.11Å; R412-D416 WeakPolarHBondContact CB-OD2 3.38Å; R412-D416 IonicContact CZ-OD1 2.74Å; R412-D416 IonicContact CZ-OD2 3.52Å; R412-D416 IonicContact NE-OD2 3.76Å; R412-D416 PolarHBondContact NE-OD2 3.39Å; R412-D416 IonicContact NH2-OD1 3.19Å; R412-D416 PolarHBondContact NH2-OD1 3.21Å; R412-D416 IonicContact NH2-OD2 3.86Å; R412-D416 PolarHBondContact NH2-OD2 2.93Å; R413-D416 PolarHBondContact O-N 3.39Å; R413-D416 VanDerWaalsContact O-N 3.15Å; L414-D416 PolarHBondContact O-N 3.22Å; L414-D416 VanDerWaalsContact O-N 3.14Å; D416-T418 PolarHBondContact O-N 3.48Å; D416-V451 WeakPolarHBondContact O-CG1 3.41Å |
| 417 | W | 94.2 | Very high | 91.7 | Very high | 12 Ų | 12 | 60.3 Ų | 60.3 | 5% | 0.045 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -97.7 | 77.5 | 175.1 | -60.1 | 77.7 | 0 | 0 | 0 | 109.8 | F380 Y382 V389 F391 Y396 L414 T415 G419 L420 L435 F446 | F380-W417 AromaticContact CE2-CH2 4Å; F380-W417 HydrophobicContact CE2-CH2 4Å; F380-W417 HydrophobicContact CE2-CZ3 4.43Å; F380-W417 AromaticContact CZ-CH2 3.81Å; F380-W417 HydrophobicContact CZ-CH2 3.81Å; F380-W417 HydrophobicContact CZ-CZ2 4.3Å; F380-W417 HydrophobicContact CZ-CZ3 4.18Å; Y382-W417 HydrophobicContact CD1-CH2 4.2Å; Y382-W417 AromaticContact CD2-CH2 3.88Å; Y382-W417 HydrophobicContact CD2-CH2 3.88Å; Y382-W417 HydrophobicContact CD2-CZ3 4.28Å; Y382-W417 HydrophobicContact CE1-CH2 4.06Å; Y382-W417 AromaticContact CE2-CH2 3.71Å; Y382-W417 HydrophobicContact CE2-CH2 3.71Å; Y382-W417 AromaticContact CE2-CZ3 3.79Å; Y382-W417 HydrophobicContact CE2-CZ3 3.79Å; Y382-W417 HydrophobicContact CG-CH2 4.1Å; Y382-W417 AromaticContact CZ-CH2 3.8Å; V389-W417 HydrophobicContact CG1-CH2 4.41Å; V389-W417 HydrophobicContact CG1-CZ2 3.82Å; V389-W417 HydrophobicContact CG2-CZ2 4.37Å; F391-W417 HydrophobicContact CE1-CD2 4.33Å; F391-W417 AromaticContact CE1-CE2 3.79Å; F391-W417 HydrophobicContact CE1-CZ2 4.09Å; F391-W417 AromaticContact CE1-NE1 3.73Å; F391-W417 AromaticContact CZ-CD2 3.78Å; F391-W417 HydrophobicContact CZ-CD2 3.78Å; F391-W417 AromaticContact CZ-CE2 3.67Å; F391-W417 HydrophobicContact CZ-CE3 4.2Å; F391-W417 HydrophobicContact CZ-CG 4.15Å; F391-W417 HydrophobicContact CZ-CH2 4.46Å; F391-W417 HydrophobicContact CZ-CZ2 4.05Å; F391-W417 AromaticContact CZ-NE1 3.94Å; Y396-W417 AromaticContact CD1-CD1 3.95Å; Y396-W417 AromaticContact CD1-NE1 3.61Å; Y396-W417 AromaticContact CD2-NE1 3.65Å; Y396-W417 AromaticContact CE1-NE1 3.67Å; Y396-W417 HydrophobicContact CE2-CZ2 4.47Å; Y396-W417 AromaticContact CE2-NE1 3.66Å; Y396-W417 AromaticContact CG-NE1 3.61Å; Y396-W417 AromaticContact CZ-NE1 3.7Å; L414-W417 HydrophobicContact CD1-CG 4.42Å; L414-W417 WeakPolarHBondContact O-CB 3.17Å; L414-W417 PolarHBondContact O-N 3.02Å; T415-W417 PolarHBondContact O-N 3.38Å; W417-G419 PolarHBondContact O-N 3.09Å; W417-L420 HydrophobicContact CB-CB 4.02Å; W417-L420 HydrophobicContact CB-CD2 4.09Å; W417-L420 VanDerWaalsContact O-CB 3.24Å; W417-L420 WeakPolarHBondContact O-CB 3.34Å; W417-L420 PolarHBondContact O-N 3.38Å; W417-L435 HydrophobicContact CH2-CD2 4.43Å; W417-L435 HydrophobicContact CZ3-CD2 3.73Å; W417-F446 HydrophobicContact CB-CE2 4.16Å; W417-F446 HydrophobicContact CB-CZ 4.48Å; W417-F446 HydrophobicContact CD2-CZ 4.29Å; W417-F446 HydrophobicContact CE3-CD1 4.14Å; W417-F446 HydrophobicContact CE3-CD2 4.38Å; W417-F446 AromaticContact CE3-CE1 3.61Å; W417-F446 HydrophobicContact CE3-CE1 3.61Å; W417-F446 AromaticContact CE3-CE2 3.9Å; W417-F446 HydrophobicContact CE3-CE2 3.9Å; W417-F446 HydrophobicContact CE3-CG 4.48Å; W417-F446 AromaticContact CE3-CZ 3.46Å; W417-F446 HydrophobicContact CE3-CZ 3.46Å; W417-F446 VanDerWaalsContact CE3-CZ 3.46Å; W417-F446 HydrophobicContact CZ3-CD1 4.11Å; W417-F446 AromaticContact CZ3-CE1 3.7Å; W417-F446 HydrophobicContact CZ3-CE1 3.7Å; W417-F446 HydrophobicContact CZ3-CZ 4.04Å |
| 418 | T | 94.4 | Very high | 91.6 | Very high | 84 Ų | 84 | 58 Ų | 58 | 52% | 0.515 | 30% | 0.302 | S | S | . | . | B | Isolated β-bridge | trans | -52 | 122.5 | -170.2 | -49.5 | 0 | 0 | 0 | 0 | 113 | D416 V451 R452 V453 | D416-T418 PolarHBondContact O-N 3.48Å; T418-V451 WeakPolarHBondContact CB-O 3.23Å; T418-V451 PolarHBondContact OG1-O 2.96Å; T418-R452 HydrophobicContact CG2-CB 4.35Å; T418-R452 WeakPolarHBondContact O-CA 3.12Å; T418-V453 PolarHBondContact O-N 2.88Å |
| 419 | G | 90.4 | Very high | 91.7 | Very high | 57 Ų | 57 | 55.6 Ų | 55.6 | 59% | 0.588 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.2 | 1.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | W417 V453 | W417-G419 PolarHBondContact O-N 3.09Å; G419-V453 WeakPolarHBondContact O-CG2 3.21Å |
| 420 | L | 92.7 | Very high | 91.8 | Very high | 19 Ų | 19 | 46.5 Ų | 46.5 | 10% | 0.099 | 25% | 0.25 | C | C | . | . | P | Polyproline II helix | trans | -86.8 | 132 | -179.5 | -166 | 75.9 | 0 | 0 | 0 | 112.2 | F391 L414 W417 T424 L437 W444 | F391-L420 HydrophobicContact CD2-CD2 4.3Å; F391-L420 HydrophobicContact CE2-CD2 3.5Å; F391-L420 HydrophobicContact CZ-CD2 4.06Å; L414-L420 HydrophobicContact CD1-CD2 4.14Å; L414-L420 HydrophobicContact CD2-CD2 4.41Å; L414-L420 HydrophobicContact CG-CD2 4.37Å; W417-L420 HydrophobicContact CB-CB 4.02Å; W417-L420 HydrophobicContact CB-CD2 4.09Å; W417-L420 VanDerWaalsContact O-CB 3.24Å; W417-L420 WeakPolarHBondContact O-CB 3.34Å; W417-L420 PolarHBondContact O-N 3.38Å; L420-T424 HydrophobicContact CD1-CG2 4.17Å; L420-T424 HydrophobicContact CD2-CG2 4.44Å; L420-T424 HydrophobicContact CG-CG2 4.24Å; L420-L437 HydrophobicContact CD1-CB 3.85Å; L420-L437 HydrophobicContact CD1-CD1 3.83Å; L420-L437 HydrophobicContact CD1-CD2 3.82Å; L420-L437 HydrophobicContact CD1-CG 4.05Å; L420-L437 HydrophobicContact CD2-CD2 3.72Å; L420-L437 HydrophobicContact CG-CD2 4.41Å; L420-W444 HydrophobicContact CD1-CB 4.1Å; L420-W444 HydrophobicContact CD1-CG 4.43Å |
| 421 | P | 85.8 | Confident | 91.6 | Very high | 31 Ų | 31 | 48.8 Ų | 48.8 | 20% | 0.201 | 27% | 0.271 | C | S | . | . | P | Polyproline II helix | trans | -75.7 | 153.1 | 175 | 33.1 | -38 | 0 | 0 | 0 | 112.1 | T424 K439 W444 | P421-T424 HydrophobicContact CG-CG2 4.27Å; P421-K439 HydrophobicContact CB-CD 4.33Å; P421-K439 HydrophobicContact CG-CD 4.23Å; P421-W444 HydrophobicContact CB-CZ2 4.49Å; P421-W444 HydrophobicContact CG-CD2 3.89Å; P421-W444 HydrophobicContact CG-CE3 4.02Å; P421-W444 HydrophobicContact CG-CH2 3.7Å; P421-W444 HydrophobicContact CG-CZ2 3.56Å; P421-W444 HydrophobicContact CG-CZ3 3.96Å |
| 422 | Q | 84.7 | Confident | 91.4 | Very high | 113 Ų | 113 | 50.2 Ų | 50.2 | 53% | 0.528 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | 149.7 | 168.7 | -60.3 | -178.2 | 23 | 0 | 0 | 111.2 | L414 K439 | L414-Q422 HydrophobicContact CD2-CB 4.43Å; L414-Q422 HydrophobicContact CD2-CG 4.06Å; Q422-K439 WeakPolarHBondContact O-CE 3.23Å; Q422-K439 PolarHBondContact O-NZ 3.08Å |
| 423 | G | 80.1 | Confident | 91.1 | Very high | 30 Ų | 30 | 46.6 Ų | 46.6 | 31% | 0.309 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.1 | 26.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | N425 | G423-N425 PolarHBondContact O-N 2.6Š|
| 424 | T | 88.1 | Confident | 91.2 | Very high | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.006 | 26% | 0.255 | C | S | . | . | trans | -59.3 | 133.7 | 168.4 | 47.1 | 0 | 0 | 0 | 0 | 110.1 | D377 C378 F391 L420 P421 L437 F438 | D377-T424 CarbonylContact C-O 3.08Å; C378-T424 WeakPolarHBondContact CB-O 3.4Å; F391-T424 WeakPolarHBondContact CD2-OG1 3.41Å; L420-T424 HydrophobicContact CD1-CG2 4.17Å; L420-T424 HydrophobicContact CD2-CG2 4.44Å; L420-T424 HydrophobicContact CG-CG2 4.24Å; P421-T424 HydrophobicContact CG-CG2 4.27Å; T424-L437 HydrophobicContact CG2-CB 4.24Å; T424-F438 CarbonylContact C-O 3.53Å; T424-F438 WeakPolarHBondContact CA-O 3.44Å; T424-F438 WeakPolarHBondContact CB-O 3.32Å | ||
| 425 | N | 85.4 | Confident | 91.3 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | trans | -103.7 | 0.1 | -173.2 | 64.7 | -44.4 | 0 | 0 | 0 | 113.9 | K190 F286 D287 D377 G423 F438 K439 | K190-N425 HydrophobicContact CD-CB 3.55Å; K190-N425 VanDerWaalsContact NZ-CA 3.32Å; K190-N425 VanDerWaalsContact NZ-CB 3.29Å; K190-N425 PolarHBondContact NZ-O 2.9Å; F286-N425 PolarHBondContact O-ND2 3.27Å; D287-N425 VanDerWaalsContact O-O 3.05Å; D377-N425 CarbonylContact O-C 3.58Å; D377-N425 WeakPolarHBondContact O-CA 3.47Å; G423-N425 PolarHBondContact O-N 2.6Å; N425-F438 PolarHBondContact N-O 2.76Å; N425-F438 PolarHBondContact OD1-O 3.29Å; N425-K439 VanDerWaalsContact OD1-CA 3.32Å; N425-K439 WeakPolarHBondContact OD1-CA 3.45Å | ||
| 426 | G | 90.8 | Very high | 91.5 | Very high | 3 Ų | 3 | 36.7 Ų | 36.7 | 3% | 0.031 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -176 | 158 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | C378 F438 | C378-G426 VanDerWaalsContact SG-CA 3.56Å; G426-F438 PolarHBondContact O-N 2.98Å |
| 427 | A | 95.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 146.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | C378 F380 L435 Y436 L437 | C378-A427 VanDerWaalsContact SG-CB 3.52Å; C378-A427 PolarHBondContact SG-N 3.38Å; F380-A427 HydrophobicContact CB-CB 4.05Å; F380-A427 HydrophobicContact CD1-CB 3.51Å; F380-A427 HydrophobicContact CE1-CB 4.08Å; F380-A427 HydrophobicContact CG-CB 3.82Å; A427-L435 HydrophobicContact CB-CD1 4.19Å; A427-Y436 CarbonylContact C-O 3.53Å; A427-Y436 WeakPolarHBondContact CA-O 3.4Å; A427-L437 HydrophobicContact CB-CD2 4.03Å; A427-L437 HydrophobicContact CB-CG 3.93Å |
| 428 | L | 95.1 | Very high | 91.5 | Very high | 3 Ų | 3 | 33.8 Ų | 33.8 | 2% | 0.016 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 151.1 | 175.4 | 62.9 | 90.7 | 0 | 0 | 0 | 110.8 | I289 V291 V297 R430 Y436 F438 W465 | I289-L428 HydrophobicContact CD1-CD2 3.83Å; I289-L428 HydrophobicContact CG1-CD2 3.74Å; I289-L428 HydrophobicContact CG2-CD2 4.27Å; V291-L428 HydrophobicContact CB-CB 4.19Å; V291-L428 HydrophobicContact CG1-CB 3.98Å; V297-L428 HydrophobicContact CG1-CD2 4.06Å; V297-L428 HydrophobicContact CG2-CD2 4.49Å; L428-R430 HydrophobicContact CD1-CG 3.63Å; L428-Y436 PolarHBondContact N-O 3.43Å; L428-Y436 PolarHBondContact O-N 2.99Å; L428-F438 HydrophobicContact CD2-CE2 4.22Å; L428-F438 HydrophobicContact CG-CE2 4.23Å; L428-W465 HydrophobicContact CD1-CH2 3.78Å; L428-W465 HydrophobicContact CD1-CZ3 4.06Å; L428-W465 HydrophobicContact CD2-CH2 4.35Å; L428-W465 HydrophobicContact CD2-CZ3 4.15Å; L428-W465 HydrophobicContact CG-CH2 4.42Å |
| 429 | T | 94.4 | Very high | 91.2 | Very high | 35 Ų | 35 | 33 Ų | 33 | 22% | 0.215 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 135.2 | 175.3 | -54.3 | 0 | 0 | 0 | 0 | 109 | R434 | T429-R434 WeakPolarHBondContact CA-O 3.13Å |
| 430 | R | 93.7 | Very high | 90.7 | Very high | 24 Ų | 24 | 33.5 Ų | 33.5 | 9% | 0.091 | 19% | 0.189 | C | C | . | . | trans | -102.9 | 169.1 | 177 | -70.6 | -57.9 | -65.8 | 170.5 | -9.8 | 111.4 | Q295 L428 D432 G433 R434 Y436 W465 | Q295-R430 PolarHBondContact O-NH1 3.02Å; L428-R430 HydrophobicContact CD1-CG 3.63Å; R430-D432 WeakPolarHBondContact CB-OD1 3.27Å; R430-D432 PolarHBondContact O-N 2.94Å; R430-D432 VanDerWaalsContact O-N 3.1Å; R430-G433 PolarHBondContact O-N 3.03Å; R430-R434 PolarHBondContact N-O 2.76Å; R430-Y436 HydrophobicContact CB-CD2 4.06Å; R430-Y436 HydrophobicContact CB-CE2 3.8Å; R430-Y436 HydrophobicContact CG-CD2 3.65Å; R430-Y436 HydrophobicContact CG-CE2 3.73Å; R430-W465 HydrophobicContact CG-CH2 4.15Å; R430-W465 HydrophobicContact CG-CZ2 3.81Å | ||
| 431 | P | 91.7 | Very high | 90.2 | Very high | 100 Ų | 100 | 37.1 Ų | 37.1 | 65% | 0.649 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -18.5 | -178.8 | -26.3 | 37.7 | 0 | 0 | 0 | 114.6 | Q295 G433 | Q295-P431 HydrophobicContact CG-CG 3.9Å; Q295-P431 VanDerWaalsContact OE1-CD 3.3Å; P431-G433 PolarHBondContact O-N 2.83Å; P431-G433 VanDerWaalsContact O-N 3.16Å |
| 432 | D | 91.5 | Very high | 90.5 | Very high | 76 Ų | 76 | 42.2 Ų | 42.2 | 41% | 0.406 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | 1.4 | 171.9 | 67.6 | -7.9 | 0 | 0 | 0 | 113.4 | R430 R434 Y436 | R430-D432 WeakPolarHBondContact CB-OD1 3.27Å; R430-D432 PolarHBondContact O-N 2.94Å; R430-D432 VanDerWaalsContact O-N 3.1Å; D432-R434 HydrophobicContact CB-CG 4.31Å; D432-R434 PolarHBondContact O-N 3.03Å; D432-R434 WeakPolarHBondContact OD1-CB 3.43Å; D432-R434 PolarHBondContact OD1-N 3.01Å; D432-R434 WeakPolarHBondContact OD2-CG 3.27Å; D432-Y436 WeakPolarHBondContact OD2-CE2 3.29Å; D432-Y436 PolarHBondContact OD2-OH 3.05Å |
| 433 | G | 90.9 | Very high | 91 | Very high | 40 Ų | 40 | 36.8 Ų | 36.8 | 41% | 0.412 | 20% | 0.196 | S | C | . | . | S | Bend | trans | 71.1 | 8.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | R430 P431 P448 | R430-G433 PolarHBondContact O-N 3.03Å; P431-G433 PolarHBondContact O-N 2.83Å; P431-G433 VanDerWaalsContact O-N 3.16Å; G433-P448 WeakPolarHBondContact O-CG 3.36Å |
| 434 | R | 95.3 | Very high | 91.8 | Very high | 75 Ų | 75 | 36.1 Ų | 36.1 | 28% | 0.283 | 18% | 0.184 | S | C | . | . | trans | -94.7 | 145.4 | 179.5 | -52 | -56.4 | -174.1 | 174.2 | 7.5 | 110.4 | T429 R430 D432 Y436 R445 D447 | T429-R434 WeakPolarHBondContact CA-O 3.13Å; R430-R434 PolarHBondContact N-O 2.76Å; D432-R434 HydrophobicContact CB-CG 4.31Å; D432-R434 PolarHBondContact O-N 3.03Å; D432-R434 WeakPolarHBondContact OD1-CB 3.43Å; D432-R434 PolarHBondContact OD1-N 3.01Å; D432-R434 WeakPolarHBondContact OD2-CG 3.27Å; R434-Y436 HydrophobicContact CB-CD2 4.42Å; R434-Y436 HydrophobicContact CB-CE2 3.8Å; R434-R445 HydrophobicContact CB-CG 3.78Å; R434-R445 HydrophobicContact CG-CG 4.18Å; R434-D447 IonicContact CZ-OD2 2.83Å; R434-D447 IonicContact NH1-OD1 3.83Å; R434-D447 PolarHBondContact NH1-OD1 2.85Å; R434-D447 IonicContact NH1-OD2 3.76Å; R434-D447 PolarHBondContact NH1-OD2 3.04Å; R434-D447 IonicContact NH2-OD2 3.96Å | ||
| 435 | L | 96 | Very high | 92.2 | Very high | 2 Ų | 2 | 39.4 Ų | 39.4 | 1% | 0.01 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 124.9 | 172.9 | 177.4 | 68.4 | 0 | 0 | 0 | 108.5 | F380 Y382 W417 A427 L437 F446 | F380-L435 HydrophobicContact CD2-CD1 3.8Å; F380-L435 HydrophobicContact CD2-CD2 4.18Å; F380-L435 HydrophobicContact CE2-CD1 4.01Å; F380-L435 HydrophobicContact CE2-CD2 3.51Å; F380-L435 HydrophobicContact CE2-CG 4.43Å; F380-L435 HydrophobicContact CG-CD1 4.36Å; F380-L435 HydrophobicContact CZ-CD2 3.84Å; Y382-L435 HydrophobicContact CD2-CD2 4.19Å; Y382-L435 HydrophobicContact CE2-CD2 4.11Å; W417-L435 HydrophobicContact CH2-CD2 4.43Å; W417-L435 HydrophobicContact CZ3-CD2 3.73Å; A427-L435 HydrophobicContact CB-CD1 4.19Å; L435-L437 HydrophobicContact CB-CD1 4.46Å; L435-L437 HydrophobicContact CD2-CD1 3.74Å; L435-L437 HydrophobicContact CD2-CD2 4.3Å; L435-L437 HydrophobicContact CD2-CG 4.19Å; L435-L437 HydrophobicContact CG-CD1 3.67Å; L435-L437 HydrophobicContact CG-CG 4.09Å; L435-F446 HydrophobicContact CB-CB 4.2Å; L435-F446 HydrophobicContact CD2-CD1 4.4Å; L435-F446 PolarHBondContact N-O 3.23Å; L435-F446 VanDerWaalsContact N-O 3.14Å; L435-F446 WeakPolarHBondContact O-CB 3.2Å; L435-F446 PolarHBondContact O-N 3Å |
| 436 | Y | 96.6 | Very high | 92.7 | Very high | 16 Ų | 16 | 39.3 Ų | 39.3 | 6% | 0.063 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 122.9 | 175 | -69.7 | -103.1 | 0 | 0 | 0 | 108.2 | A427 L428 R430 D432 R434 F443 R445 L463 W465 | A427-Y436 CarbonylContact C-O 3.53Å; A427-Y436 WeakPolarHBondContact CA-O 3.4Å; L428-Y436 PolarHBondContact N-O 3.43Å; L428-Y436 PolarHBondContact O-N 2.99Å; R430-Y436 HydrophobicContact CB-CD2 4.06Å; R430-Y436 HydrophobicContact CB-CE2 3.8Å; R430-Y436 HydrophobicContact CG-CD2 3.65Å; R430-Y436 HydrophobicContact CG-CE2 3.73Å; D432-Y436 WeakPolarHBondContact OD2-CE2 3.29Å; D432-Y436 PolarHBondContact OD2-OH 3.05Å; R434-Y436 HydrophobicContact CB-CD2 4.42Å; R434-Y436 HydrophobicContact CB-CE2 3.8Å; Y436-F443 AromaticContact CD1-CD2 3.79Å; Y436-F443 HydrophobicContact CD1-CD2 3.79Å; Y436-F443 HydrophobicContact CD1-CE2 4.13Å; Y436-F443 HydrophobicContact CE1-CD2 4.23Å; Y436-F443 HydrophobicContact CE1-CE2 4.09Å; Y436-R445 HydrophobicContact CD1-CB 4.27Å; Y436-R445 HydrophobicContact CD1-CG 4.35Å; Y436-R445 HydrophobicContact CE1-CB 3.99Å; Y436-R445 HydrophobicContact CE1-CG 3.81Å; Y436-R445 HydrophobicContact CE2-CG 4.17Å; Y436-R445 WeakPolarHBondContact OH-CD 3.3Å; Y436-L463 HydrophobicContact CD1-CD1 4.2Å; Y436-L463 HydrophobicContact CD1-CD2 4.21Å; Y436-L463 HydrophobicContact CE1-CD2 3.88Å; Y436-W465 AromaticContact CD1-CZ2 3.9Å; Y436-W465 HydrophobicContact CD1-CZ2 3.9Å; Y436-W465 HydrophobicContact CD2-CZ2 4.31Å; Y436-W465 HydrophobicContact CE1-CZ2 4.22Å; Y436-W465 HydrophobicContact CG-CH2 4.36Å; Y436-W465 AromaticContact CG-CZ2 3.96Å; Y436-W465 HydrophobicContact CG-CZ2 3.96Å |
| 437 | L | 95.9 | Very high | 93 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 148.4 | 177.6 | -58.7 | 100.9 | 0 | 0 | 0 | 110 | F391 L420 T424 A427 L435 F443 W444 F446 | F391-L437 HydrophobicContact CD2-CD2 4.38Å; F391-L437 HydrophobicContact CE2-CD2 3.51Å; F391-L437 HydrophobicContact CZ-CD2 4.33Å; L420-L437 HydrophobicContact CD1-CB 3.85Å; L420-L437 HydrophobicContact CD1-CD1 3.83Å; L420-L437 HydrophobicContact CD1-CD2 3.82Å; L420-L437 HydrophobicContact CD1-CG 4.05Å; L420-L437 HydrophobicContact CD2-CD2 3.72Å; L420-L437 HydrophobicContact CG-CD2 4.41Å; T424-L437 HydrophobicContact CG2-CB 4.24Å; A427-L437 HydrophobicContact CB-CD2 4.03Å; A427-L437 HydrophobicContact CB-CG 3.93Å; L435-L437 HydrophobicContact CB-CD1 4.46Å; L435-L437 HydrophobicContact CD2-CD1 3.74Å; L435-L437 HydrophobicContact CD2-CD2 4.3Å; L435-L437 HydrophobicContact CD2-CG 4.19Å; L435-L437 HydrophobicContact CG-CD1 3.67Å; L435-L437 HydrophobicContact CG-CG 4.09Å; L437-F443 CarbonylContact O-C 3.55Å; L437-F443 WeakPolarHBondContact O-CA 3.43Å; L437-F443 WeakPolarHBondContact O-CB 3.43Å; L437-W444 PolarHBondContact N-O 3.01Å; L437-W444 PolarHBondContact O-N 2.82Å; L437-F446 HydrophobicContact CD1-CB 3.66Å; L437-F446 HydrophobicContact CD1-CG 4.4Å |
| 438 | F | 93.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 145.3 | -170.3 | -60 | -97.6 | 0 | 0 | 0 | 111.7 | F286 I289 T424 N425 G426 L428 F443 W459 L463 W465 | F286-F438 HydrophobicContact CE1-CB 4.39Å; F286-F438 HydrophobicContact CE2-CB 4.37Å; F286-F438 HydrophobicContact CZ-CB 3.53Å; F286-F438 HydrophobicContact CZ-CD1 4.14Å; F286-F438 AromaticContact CZ-CG 3.86Å; F286-F438 HydrophobicContact CZ-CG 3.86Å; I289-F438 HydrophobicContact CD1-CE2 4.33Å; I289-F438 HydrophobicContact CD1-CZ 4.19Å; I289-F438 HydrophobicContact CG2-CD2 3.54Å; I289-F438 HydrophobicContact CG2-CE2 3.79Å; I289-F438 HydrophobicContact CG2-CG 4.17Å; T424-F438 CarbonylContact C-O 3.53Å; T424-F438 WeakPolarHBondContact CA-O 3.44Å; T424-F438 WeakPolarHBondContact CB-O 3.32Å; N425-F438 PolarHBondContact N-O 2.76Å; N425-F438 PolarHBondContact OD1-O 3.29Å; G426-F438 PolarHBondContact O-N 2.98Å; L428-F438 HydrophobicContact CD2-CE2 4.22Å; L428-F438 HydrophobicContact CG-CE2 4.23Å; F438-F443 HydrophobicContact CD1-CB 4.02Å; F438-F443 HydrophobicContact CE1-CB 4.08Å; F438-W459 HydrophobicContact CD1-CB 3.98Å; F438-W459 AromaticContact CD1-CD1 3.91Å; F438-W459 HydrophobicContact CD1-CD2 4.4Å; F438-W459 AromaticContact CD1-CG 3.86Å; F438-W459 HydrophobicContact CD1-CG 3.86Å; F438-W459 HydrophobicContact CE1-CB 3.76Å; F438-W459 HydrophobicContact CE1-CD2 4.42Å; F438-W459 AromaticContact CE1-CG 3.99Å; F438-W459 HydrophobicContact CE1-CG 3.99Å; F438-L463 HydrophobicContact CE1-CD1 3.92Å; F438-L463 HydrophobicContact CZ-CD1 4.17Å; F438-W465 AromaticContact CZ-CH2 3.76Å; F438-W465 HydrophobicContact CZ-CH2 3.76Å; F438-W465 HydrophobicContact CZ-CZ3 4.34Å |
| 439 | K | 86.9 | Confident | 92.6 | Very high | 67 Ų | 67 | 46.4 Ų | 46.4 | 29% | 0.291 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 117.9 | 170.3 | -174.9 | -178.1 | 174 | 177 | 0 | 108 | P421 Q422 N425 Q441 R442 W444 | P421-K439 HydrophobicContact CB-CD 4.33Å; P421-K439 HydrophobicContact CG-CD 4.23Å; Q422-K439 WeakPolarHBondContact O-CE 3.23Å; Q422-K439 PolarHBondContact O-NZ 3.08Å; N425-K439 VanDerWaalsContact OD1-CA 3.32Å; N425-K439 WeakPolarHBondContact OD1-CA 3.45Å; K439-Q441 PolarHBondContact O-N 3.08Å; K439-R442 PolarHBondContact N-O 2.85Å; K439-R442 PolarHBondContact O-N 3Å; K439-W444 HydrophobicContact CB-CH2 3.78Å; K439-W444 HydrophobicContact CB-CZ3 3.44Å; K439-W444 VanDerWaalsContact CB-CZ3 3.44Å; K439-W444 HydrophobicContact CD-CH2 4.48Å |
| 440 | N | 79.9 | Confident | 92.4 | Very high | 67 Ų | 67 | 51 Ų | 51 | 36% | 0.358 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.6 | -126.7 | -177.7 | -53 | -20.2 | 0 | 0 | 0 | 110 | R183 G284 R442 W459 | R183-N440 PolarHBondContact NH1-OD1 3.34Å; G284-N440 CarbonylContact O-C 3.6Å; G284-N440 WeakPolarHBondContact O-CA 3.47Å; N440-R442 VanDerWaalsContact C-N 3.34Å; N440-W459 PolarHBondContact O-NE1 2.87Å |
| 441 | Q | 84 | Confident | 92.4 | Very high | 95 Ų | 95 | 52.9 Ų | 52.9 | 44% | 0.444 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -3.7 | 177.7 | -72 | 178.2 | 7.6 | 0 | 0 | 114.7 | Q283 K439 L458 W459 | Q283-Q441 WeakPolarHBondContact O-CG 3.37Å; Q283-Q441 PolarHBondContact O-NE2 3.5Å; K439-Q441 PolarHBondContact O-N 3.08Å; Q441-L458 HydrophobicContact CB-CD2 4.13Å; Q441-L458 WeakPolarHBondContact O-CA 2.95Å; Q441-W459 PolarHBondContact O-N 2.99Å; Q441-W459 VanDerWaalsContact O-N 3.08Å |
| 442 | R | 90.8 | Very high | 92.5 | Very high | 138 Ų | 138 | 54.2 Ų | 54.2 | 52% | 0.521 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 150.8 | -175.2 | -67.9 | -172.5 | -177.8 | -164.2 | 2.9 | 112.8 | K439 N440 W444 G457 L458 | K439-R442 PolarHBondContact N-O 2.85Å; K439-R442 PolarHBondContact O-N 3Å; N440-R442 VanDerWaalsContact C-N 3.34Å; R442-W444 HydrophobicContact CB-CH2 3.35Å; R442-W444 HydrophobicContact CB-CZ2 3.94Å; R442-W444 HydrophobicContact CB-CZ3 3.69Å; R442-W444 HydrophobicContact CG-CH2 4.35Å; R442-W444 WeakPolarHBondContact O-CZ3 3.43Å; R442-G457 CarbonylContact C-O 3.49Å; R442-G457 VanDerWaalsContact CA-O 3.22Å; R442-G457 WeakPolarHBondContact CA-O 3.33Å; R442-L458 HydrophobicContact CG-CD2 4.24Å |
| 443 | F | 95.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 159.3 | 164.8 | 74.9 | -76.7 | 0 | 0 | 0 | 111.9 | Y436 L437 F438 R445 E456 G457 W459 D462 L463 | Y436-F443 AromaticContact CD1-CD2 3.79Å; Y436-F443 HydrophobicContact CD1-CD2 3.79Å; Y436-F443 HydrophobicContact CD1-CE2 4.13Å; Y436-F443 HydrophobicContact CE1-CD2 4.23Å; Y436-F443 HydrophobicContact CE1-CE2 4.09Å; L437-F443 CarbonylContact O-C 3.55Å; L437-F443 WeakPolarHBondContact O-CA 3.43Å; L437-F443 WeakPolarHBondContact O-CB 3.43Å; F438-F443 HydrophobicContact CD1-CB 4.02Å; F438-F443 HydrophobicContact CE1-CB 4.08Å; F443-R445 HydrophobicContact CD2-CB 4.5Å; F443-R445 HydrophobicContact CE2-CB 4.22Å; F443-E456 WeakPolarHBondContact O-CA 3.3Å; F443-E456 WeakPolarHBondContact O-CB 2.98Å; F443-G457 VanDerWaalsContact CD1-C 3.49Å; F443-G457 VanDerWaalsContact CD1-O 3.29Å; F443-G457 WeakPolarHBondContact CD1-O 3.43Å; F443-G457 VanDerWaalsContact CE1-C 3.44Å; F443-G457 VanDerWaalsContact CE1-CA 3.46Å; F443-G457 PolarHBondContact N-O 3.08Å; F443-G457 PolarHBondContact O-N 3.01Å; F443-W459 HydrophobicContact CB-CB 3.97Å; F443-W459 HydrophobicContact CD1-CB 3.8Å; F443-W459 HydrophobicContact CG-CB 4.24Å; F443-D462 HydrophobicContact CE1-CB 3.86Å; F443-D462 HydrophobicContact CZ-CB 4.35Å; F443-L463 HydrophobicContact CB-CD1 4.23Å; F443-L463 HydrophobicContact CD1-CD1 3.99Å; F443-L463 HydrophobicContact CD1-CD2 4.45Å; F443-L463 HydrophobicContact CD1-CG 4.13Å; F443-L463 HydrophobicContact CD2-CD1 4.14Å; F443-L463 HydrophobicContact CD2-CD2 4.29Å; F443-L463 HydrophobicContact CE1-CD1 4.4Å; F443-L463 HydrophobicContact CE1-CD2 4.07Å; F443-L463 HydrophobicContact CE1-CG 4.07Å; F443-L463 HydrophobicContact CE2-CD2 3.89Å; F443-L463 HydrophobicContact CG-CD1 3.83Å; F443-L463 HydrophobicContact CG-CG 4.39Å; F443-L463 HydrophobicContact CZ-CD2 3.77Å; F443-L463 HydrophobicContact CZ-CG 4.29Å |
| 444 | W | 96.9 | Very high | 93 | Very high | 16 Ų | 16 | 52.8 Ų | 52.8 | 6% | 0.061 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 119.7 | 170.6 | -66.2 | -94.5 | 0 | 0 | 0 | 108.3 | L420 P421 L437 K439 R442 V453 R455 E456 | L420-W444 HydrophobicContact CD1-CB 4.1Å; L420-W444 HydrophobicContact CD1-CG 4.43Å; P421-W444 HydrophobicContact CB-CZ2 4.49Å; P421-W444 HydrophobicContact CG-CD2 3.89Å; P421-W444 HydrophobicContact CG-CE3 4.02Å; P421-W444 HydrophobicContact CG-CH2 3.7Å; P421-W444 HydrophobicContact CG-CZ2 3.56Å; P421-W444 HydrophobicContact CG-CZ3 3.96Å; L437-W444 PolarHBondContact N-O 3.01Å; L437-W444 PolarHBondContact O-N 2.82Å; K439-W444 HydrophobicContact CB-CH2 3.78Å; K439-W444 HydrophobicContact CB-CZ3 3.44Å; K439-W444 VanDerWaalsContact CB-CZ3 3.44Å; K439-W444 HydrophobicContact CD-CH2 4.48Å; R442-W444 HydrophobicContact CB-CH2 3.35Å; R442-W444 HydrophobicContact CB-CZ2 3.94Å; R442-W444 HydrophobicContact CB-CZ3 3.69Å; R442-W444 HydrophobicContact CG-CH2 4.35Å; R442-W444 WeakPolarHBondContact O-CZ3 3.43Å; W444-V453 HydrophobicContact CB-CG1 4.25Å; W444-V453 HydrophobicContact CB-CG2 4.04Å; W444-V453 HydrophobicContact CG-CG1 4.48Å; W444-V453 HydrophobicContact CG-CG2 4.4Å; W444-R455 CarbonylContact C-O 3.54Å; W444-R455 WeakPolarHBondContact CA-O 3.45Å; W444-E456 HydrophobicContact CG-CB 4.43Å; W444-E456 PolarHBondContact NE1-OE2 2.85Å |
| 445 | R | 97.1 | Very high | 93 | Very high | 69 Ų | 69 | 54.9 Ų | 54.9 | 26% | 0.26 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 112.6 | 171.6 | -172.4 | -179.4 | 72.3 | 178.8 | -1.1 | 109 | R434 Y436 F443 T454 R455 | R434-R445 HydrophobicContact CB-CG 3.78Å; R434-R445 HydrophobicContact CG-CG 4.18Å; Y436-R445 HydrophobicContact CD1-CB 4.27Å; Y436-R445 HydrophobicContact CD1-CG 4.35Å; Y436-R445 HydrophobicContact CE1-CB 3.99Å; Y436-R445 HydrophobicContact CE1-CG 3.81Å; Y436-R445 HydrophobicContact CE2-CG 4.17Å; Y436-R445 WeakPolarHBondContact OH-CD 3.3Å; F443-R445 HydrophobicContact CD2-CB 4.5Å; F443-R445 HydrophobicContact CE2-CB 4.22Å; R445-T454 PolarHBondContact NE-OG1 2.76Å; R445-T454 PolarHBondContact O-N 3.44Å; R445-T454 PolarHBondContact O-OG1 2.85Å; R445-R455 HydrophobicContact CB-CB 4.11Å; R445-R455 PolarHBondContact N-O 3.12Å; R445-R455 PolarHBondContact O-N 2.88Å |
| 446 | F | 96.6 | Very high | 93 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 133.3 | -176.2 | -171.9 | -91 | 0 | 0 | 0 | 111.1 | W417 L435 L437 P448 V451 R452 V453 | W417-F446 HydrophobicContact CB-CE2 4.16Å; W417-F446 HydrophobicContact CB-CZ 4.48Å; W417-F446 HydrophobicContact CD2-CZ 4.29Å; W417-F446 HydrophobicContact CE3-CD1 4.14Å; W417-F446 HydrophobicContact CE3-CD2 4.38Å; W417-F446 AromaticContact CE3-CE1 3.61Å; W417-F446 HydrophobicContact CE3-CE1 3.61Å; W417-F446 AromaticContact CE3-CE2 3.9Å; W417-F446 HydrophobicContact CE3-CE2 3.9Å; W417-F446 HydrophobicContact CE3-CG 4.48Å; W417-F446 AromaticContact CE3-CZ 3.46Å; W417-F446 HydrophobicContact CE3-CZ 3.46Å; W417-F446 VanDerWaalsContact CE3-CZ 3.46Å; W417-F446 HydrophobicContact CZ3-CD1 4.11Å; W417-F446 AromaticContact CZ3-CE1 3.7Å; W417-F446 HydrophobicContact CZ3-CE1 3.7Å; W417-F446 HydrophobicContact CZ3-CZ 4.04Å; L435-F446 HydrophobicContact CB-CB 4.2Å; L435-F446 HydrophobicContact CD2-CD1 4.4Å; L435-F446 PolarHBondContact N-O 3.23Å; L435-F446 VanDerWaalsContact N-O 3.14Å; L435-F446 WeakPolarHBondContact O-CB 3.2Å; L435-F446 PolarHBondContact O-N 3Å; L437-F446 HydrophobicContact CD1-CB 3.66Å; L437-F446 HydrophobicContact CD1-CG 4.4Å; F446-P448 WeakPolarHBondContact O-CD 3.49Å; F446-V451 HydrophobicContact CE1-CG1 4.44Å; F446-V451 VanDerWaalsContact CZ-CA 3.46Å; F446-V451 HydrophobicContact CZ-CB 4.23Å; F446-V451 HydrophobicContact CZ-CG1 3.76Å; F446-R452 VanDerWaalsContact CD2-C 3.48Å; F446-V453 HydrophobicContact CD2-CG2 4.15Å |
| 447 | D | 95.3 | Very high | 92.9 | Very high | 4 Ų | 4 | 60.1 Ų | 60.1 | 2% | 0.021 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 109.9 | 173.4 | -176.8 | -25.4 | 0 | 0 | 0 | 109.1 | R434 V449 K450 V451 R452 T454 | R434-D447 IonicContact CZ-OD2 2.83Å; R434-D447 IonicContact NH1-OD1 3.83Å; R434-D447 PolarHBondContact NH1-OD1 2.85Å; R434-D447 IonicContact NH1-OD2 3.76Å; R434-D447 PolarHBondContact NH1-OD2 3.04Å; R434-D447 IonicContact NH2-OD2 3.96Å; D447-V449 PolarHBondContact O-N 3.31Å; D447-V449 WeakPolarHBondContact OD1-CA 3.3Å; D447-V449 WeakPolarHBondContact OD1-CB 3.37Å; D447-V449 PolarHBondContact OD1-N 3.38Å; D447-K450 HydrophobicContact CB-CB 4.13Å; D447-K450 PolarHBondContact OD1-N 3.38Å; D447-K450 WeakPolarHBondContact OD2-CD 3.23Å; D447-K450 WeakPolarHBondContact OD2-CG 3.48Å; D447-V451 WeakPolarHBondContact O-CA 3.24Å; D447-V451 PolarHBondContact O-N 2.76Å; D447-R452 PolarHBondContact N-O 2.83Å; D447-R452 PolarHBondContact O-N 2.98Å; D447-T454 HydrophobicContact CB-CG2 3.55Å |
| 448 | P | 92.2 | Very high | 92.6 | Very high | 23 Ų | 23 | 63.7 Ų | 63.7 | 15% | 0.149 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -23.5 | -178.5 | 24.5 | -32.3 | 0 | 0 | 0 | 114 | Y382 P384 G433 F446 | Y382-P448 HydrophobicContact CE2-CB 4.05Å; Y382-P448 VanDerWaalsContact OH-CA 3.3Å; Y382-P448 WeakPolarHBondContact OH-CA 2.91Å; Y382-P448 VanDerWaalsContact OH-CB 3.25Å; Y382-P448 WeakPolarHBondContact OH-CB 3.35Å; Y382-P448 PolarHBondContact OH-O 3.06Å; P384-P448 HydrophobicContact CG-CB 3.65Å; P384-P448 HydrophobicContact CG-CG 4.48Å; G433-P448 WeakPolarHBondContact O-CG 3.36Å; F446-P448 WeakPolarHBondContact O-CD 3.49Å |
| 449 | V | 90.3 | Very high | 92.5 | Very high | 128 Ų | 128 | 63.7 Ų | 63.7 | 78% | 0.776 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -44.6 | -179.5 | -179 | 0 | 0 | 0 | 0 | 110 | D447 V451 | D447-V449 PolarHBondContact O-N 3.31Å; D447-V449 WeakPolarHBondContact OD1-CA 3.3Å; D447-V449 WeakPolarHBondContact OD1-CB 3.37Å; D447-V449 PolarHBondContact OD1-N 3.38Å; V449-V451 VanDerWaalsContact C-N 3.32Å |
| 450 | K | 91.2 | Very high | 92.4 | Very high | 130 Ų | 130 | 61.4 Ų | 61.4 | 57% | 0.565 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -8 | 178.6 | -61.5 | -177.6 | -176 | 179.8 | 0 | 113.5 | D447 R452 | D447-K450 HydrophobicContact CB-CB 4.13Å; D447-K450 PolarHBondContact OD1-N 3.38Å; D447-K450 WeakPolarHBondContact OD2-CD 3.23Å; D447-K450 WeakPolarHBondContact OD2-CG 3.48Å; K450-R452 VanDerWaalsContact C-N 3.27Å; K450-R452 HydrophobicContact CB-CG 3.93Å; K450-R452 PolarHBondContact O-N 2.63Å |
| 451 | V | 92 | Very high | 92.8 | Very high | 64 Ų | 64 | 65.5 Ų | 65.5 | 39% | 0.388 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.1 | 46.1 | -178.2 | -162.5 | 0 | 0 | 0 | 0 | 111.9 | D416 T418 F446 D447 V449 | D416-V451 WeakPolarHBondContact O-CG1 3.41Å; T418-V451 WeakPolarHBondContact CB-O 3.23Å; T418-V451 PolarHBondContact OG1-O 2.96Å; F446-V451 HydrophobicContact CE1-CG1 4.44Å; F446-V451 VanDerWaalsContact CZ-CA 3.46Å; F446-V451 HydrophobicContact CZ-CB 4.23Å; F446-V451 HydrophobicContact CZ-CG1 3.76Å; D447-V451 WeakPolarHBondContact O-CA 3.24Å; D447-V451 PolarHBondContact O-N 2.76Å; V449-V451 VanDerWaalsContact C-N 3.32Å |
| 452 | R | 94.9 | Very high | 93 | Very high | 128 Ų | 128 | 64 Ų | 64 | 48% | 0.483 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 153.1 | -179.9 | 71.4 | -175.7 | -169.4 | 176.8 | 4.6 | 113.5 | T418 F446 D447 K450 | T418-R452 HydrophobicContact CG2-CB 4.35Å; T418-R452 WeakPolarHBondContact O-CA 3.12Å; F446-R452 VanDerWaalsContact CD2-C 3.48Å; D447-R452 PolarHBondContact N-O 2.83Å; D447-R452 PolarHBondContact O-N 2.98Å; K450-R452 VanDerWaalsContact C-N 3.27Å; K450-R452 HydrophobicContact CB-CG 3.93Å; K450-R452 PolarHBondContact O-N 2.63Å |
| 453 | V | 96.3 | Very high | 93 | Very high | 32 Ų | 32 | 57.8 Ų | 57.8 | 19% | 0.194 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 136.1 | 166.6 | 173.5 | 0 | 0 | 0 | 0 | 109.9 | T418 G419 W444 F446 | T418-V453 PolarHBondContact O-N 2.88Å; G419-V453 WeakPolarHBondContact O-CG2 3.21Å; W444-V453 HydrophobicContact CB-CG1 4.25Å; W444-V453 HydrophobicContact CB-CG2 4.04Å; W444-V453 HydrophobicContact CG-CG1 4.48Å; W444-V453 HydrophobicContact CG-CG2 4.4Å; F446-V453 HydrophobicContact CD2-CG2 4.15Å |
| 454 | T | 96.6 | Very high | 92.7 | Very high | 55 Ų | 55 | 63.3 Ų | 63.3 | 34% | 0.337 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | -19.9 | 179 | 57.9 | 0 | 0 | 0 | 0 | 113.7 | R445 D447 | R445-T454 PolarHBondContact NE-OG1 2.76Å; R445-T454 PolarHBondContact O-N 3.44Å; R445-T454 PolarHBondContact O-OG1 2.85Å; D447-T454 HydrophobicContact CB-CG2 3.55Å |
| 455 | R | 95.9 | Very high | 92.3 | Very high | 119 Ų | 119 | 63.8 Ų | 63.8 | 45% | 0.449 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.3 | 145.4 | 178.4 | -177.6 | 176.7 | 177.2 | -171.9 | -1.4 | 108.9 | W444 R445 | W444-R455 CarbonylContact C-O 3.54Å; W444-R455 WeakPolarHBondContact CA-O 3.45Å; R445-R455 HydrophobicContact CB-CB 4.11Å; R445-R455 PolarHBondContact N-O 3.12Å; R445-R455 PolarHBondContact O-N 2.88Å |
| 456 | E | 96.1 | Very high | 92 | Very high | 110 Ų | 110 | 60.5 Ų | 60.5 | 51% | 0.514 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 163.1 | 165.2 | 58.4 | 175.8 | -152.8 | 0 | 0 | 109.8 | F443 W444 | F443-E456 WeakPolarHBondContact O-CA 3.3Å; F443-E456 WeakPolarHBondContact O-CB 2.98Å; W444-E456 HydrophobicContact CG-CB 4.43Å; W444-E456 PolarHBondContact NE1-OE2 2.85Å |
| 457 | G | 93.7 | Very high | 91.5 | Very high | 18 Ų | 18 | 61.1 Ų | 61.1 | 19% | 0.186 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 176.5 | -171.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | R442 F443 D462 | R442-G457 CarbonylContact C-O 3.49Å; R442-G457 VanDerWaalsContact CA-O 3.22Å; R442-G457 WeakPolarHBondContact CA-O 3.33Å; F443-G457 VanDerWaalsContact CD1-C 3.49Å; F443-G457 VanDerWaalsContact CD1-O 3.29Å; F443-G457 WeakPolarHBondContact CD1-O 3.43Å; F443-G457 VanDerWaalsContact CE1-C 3.44Å; F443-G457 VanDerWaalsContact CE1-CA 3.46Å; F443-G457 PolarHBondContact N-O 3.08Å; F443-G457 PolarHBondContact O-N 3.01Å; G457-D462 WeakPolarHBondContact CA-OD2 2.81Å |
| 458 | L | 90.4 | Very high | 91 | Very high | 74 Ų | 74 | 61 Ų | 61 | 39% | 0.387 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 113.7 | 177.3 | -66.4 | 176.8 | 0 | 0 | 0 | 109.5 | Q441 R442 A460 K461 D462 | Q441-L458 HydrophobicContact CB-CD2 4.13Å; Q441-L458 WeakPolarHBondContact O-CA 2.95Å; R442-L458 HydrophobicContact CG-CD2 4.24Å; L458-A460 PolarHBondContact O-N 2.95Å; L458-K461 HydrophobicContact CB-CB 4.22Å; L458-K461 PolarHBondContact O-N 2.9Å; L458-D462 PolarHBondContact N-OD2 2.89Å; L458-D462 VanDerWaalsContact O-CB 3.23Å; L458-D462 WeakPolarHBondContact O-CB 3.31Å; L458-D462 PolarHBondContact O-N 3.42Å |
| 459 | W | 89.9 | Confident | 90 | Very high | 1 Ų | 1 | 62.7 Ų | 62.7 | 0% | 0.004 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -68.2 | -38.2 | -164.9 | 64.5 | -102.5 | 0 | 0 | 0 | 113.5 | Y281 G284 F286 F438 N440 Q441 F443 K461 L463 T466 C468 | Y281-W459 AromaticContact CD2-CH2 3.65Å; Y281-W459 HydrophobicContact CD2-CH2 3.65Å; Y281-W459 AromaticContact CD2-CZ3 3.95Å; Y281-W459 HydrophobicContact CD2-CZ3 3.95Å; Y281-W459 HydrophobicContact CE2-CH2 4.34Å; Y281-W459 HydrophobicContact CE2-CZ3 4.19Å; Y281-W459 WeakPolarHBondContact O-CH2 3.44Å; Y281-W459 WeakPolarHBondContact O-CZ2 3.33Å; G284-W459 VanDerWaalsContact CA-CZ2 3.47Å; F286-W459 HydrophobicContact CD1-CH2 4.43Å; F286-W459 AromaticContact CD1-CZ2 3.86Å; F286-W459 HydrophobicContact CD1-CZ2 3.86Å; F286-W459 AromaticContact CE1-CE2 3.91Å; F286-W459 HydrophobicContact CE1-CH2 4.46Å; F286-W459 AromaticContact CE1-CZ2 3.74Å; F286-W459 HydrophobicContact CE1-CZ2 3.74Å; F438-W459 HydrophobicContact CD1-CB 3.98Å; F438-W459 AromaticContact CD1-CD1 3.91Å; F438-W459 HydrophobicContact CD1-CD2 4.4Å; F438-W459 AromaticContact CD1-CG 3.86Å; F438-W459 HydrophobicContact CD1-CG 3.86Å; F438-W459 HydrophobicContact CE1-CB 3.76Å; F438-W459 HydrophobicContact CE1-CD2 4.42Å; F438-W459 AromaticContact CE1-CG 3.99Å; F438-W459 HydrophobicContact CE1-CG 3.99Å; N440-W459 PolarHBondContact O-NE1 2.87Å; Q441-W459 PolarHBondContact O-N 2.99Å; Q441-W459 VanDerWaalsContact O-N 3.08Å; F443-W459 HydrophobicContact CB-CB 3.97Å; F443-W459 HydrophobicContact CD1-CB 3.8Å; F443-W459 HydrophobicContact CG-CB 4.24Å; W459-K461 PolarHBondContact O-N 3.14Å; W459-L463 HydrophobicContact CB-CD1 3.75Å; W459-L463 HydrophobicContact CB-CG 4.3Å; W459-L463 VanDerWaalsContact O-CB 3.26Å; W459-L463 WeakPolarHBondContact O-CB 3.18Å; W459-L463 PolarHBondContact O-N 2.81Å; W459-T466 HydrophobicContact CE3-CG2 3.94Å; W459-T466 HydrophobicContact CZ3-CG2 4.35Å; W459-C468 VanDerWaalsContact CZ3-SG 3.6Å |
| 460 | A | 86.2 | Confident | 88.3 | Confident | 19 Ų | 19 | 63.3 Ų | 63.3 | 16% | 0.157 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -68.2 | -24.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | C282 L458 C468 | C282-A460 WeakPolarHBondContact O-CB 3.09Å; L458-A460 PolarHBondContact O-N 2.95Å; A460-C468 HydrophobicContact CB-CB 3.92Å; A460-C468 VanDerWaalsContact O-CB 3.24Å; A460-C468 WeakPolarHBondContact O-CB 2.91Å |
| 461 | K | 86.3 | Confident | 86.3 | Confident | 153 Ų | 153 | 62 Ų | 62 | 67% | 0.665 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -91.4 | -43.7 | 178.5 | -175.5 | -179.1 | 177.3 | -179.2 | 0 | 111.8 | L458 W459 | L458-K461 HydrophobicContact CB-CB 4.22Å; L458-K461 PolarHBondContact O-N 2.9Å; W459-K461 PolarHBondContact O-N 3.14Å |
| 462 | D | 89.5 | Confident | 83.7 | Confident | 63 Ų | 63 | 64.2 Ų | 64.2 | 34% | 0.337 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -96.2 | -17.6 | -165.7 | -57.8 | -24.7 | 0 | 0 | 0 | 113.5 | F443 G457 L458 | F443-D462 HydrophobicContact CE1-CB 3.86Å; F443-D462 HydrophobicContact CZ-CB 4.35Å; G457-D462 WeakPolarHBondContact CA-OD2 2.81Å; L458-D462 PolarHBondContact N-OD2 2.89Å; L458-D462 VanDerWaalsContact O-CB 3.23Å; L458-D462 WeakPolarHBondContact O-CB 3.31Å; L458-D462 PolarHBondContact O-N 3.42Å |
| 463 | L | 90.9 | Very high | 80.7 | Confident | 8 Ų | 8 | 69 Ų | 69 | 4% | 0.042 | 35% | 0.352 | C | S | . | . | trans | -110.1 | 96.3 | -178.5 | -53.8 | 179.4 | 0 | 0 | 0 | 110.5 | Y436 F438 F443 W459 W465 T466 | Y436-L463 HydrophobicContact CD1-CD1 4.2Å; Y436-L463 HydrophobicContact CD1-CD2 4.21Å; Y436-L463 HydrophobicContact CE1-CD2 3.88Å; F438-L463 HydrophobicContact CE1-CD1 3.92Å; F438-L463 HydrophobicContact CZ-CD1 4.17Å; F443-L463 HydrophobicContact CB-CD1 4.23Å; F443-L463 HydrophobicContact CD1-CD1 3.99Å; F443-L463 HydrophobicContact CD1-CD2 4.45Å; F443-L463 HydrophobicContact CD1-CG 4.13Å; F443-L463 HydrophobicContact CD2-CD1 4.14Å; F443-L463 HydrophobicContact CD2-CD2 4.29Å; F443-L463 HydrophobicContact CE1-CD1 4.4Å; F443-L463 HydrophobicContact CE1-CD2 4.07Å; F443-L463 HydrophobicContact CE1-CG 4.07Å; F443-L463 HydrophobicContact CE2-CD2 3.89Å; F443-L463 HydrophobicContact CG-CD1 3.83Å; F443-L463 HydrophobicContact CG-CG 4.39Å; F443-L463 HydrophobicContact CZ-CD2 3.77Å; F443-L463 HydrophobicContact CZ-CG 4.29Å; W459-L463 HydrophobicContact CB-CD1 3.75Å; W459-L463 HydrophobicContact CB-CG 4.3Å; W459-L463 VanDerWaalsContact O-CB 3.26Å; W459-L463 WeakPolarHBondContact O-CB 3.18Å; W459-L463 PolarHBondContact O-N 2.81Å; L463-W465 HydrophobicContact CB-CD2 4.37Å; L463-W465 HydrophobicContact CB-CZ2 4.22Å; L463-W465 HydrophobicContact CD1-CH2 3.97Å; L463-W465 HydrophobicContact CD1-CZ2 3.61Å; L463-W465 HydrophobicContact CD2-CZ2 4.2Å; L463-W465 HydrophobicContact CG-CZ2 4.23Å; L463-W465 PolarHBondContact O-N 3.39Å; L463-T466 HydrophobicContact CB-CG2 3.76Å; L463-T466 HydrophobicContact CD1-CG2 4.32Å; L463-T466 PolarHBondContact O-N 2.83Å; L463-T466 VanDerWaalsContact O-N 3.13Å; L463-T466 PolarHBondContact O-OG1 3.36Å | ||
| 464 | N | 87.7 | Confident | 77.6 | Confident | 115 Ų | 115 | 72.7 Ų | 72.7 | 62% | 0.615 | 38% | 0.38 | S | S | * | . | G | 310 helix | trans | -57.6 | -34.8 | -178.7 | 61.6 | -9.6 | 0 | 0 | 0 | 114.4 | T466 G467 S469 | N464-T466 PolarHBondContact O-N 2.94Å; N464-T466 VanDerWaalsContact O-N 3.15Å; N464-G467 PolarHBondContact O-N 2.86Å; N464-S469 WeakPolarHBondContact CA-OG 3.39Å |
| 465 | W | 89.9 | Confident | 74.6 | Confident | 26 Ų | 26 | 76 Ų | 76 | 10% | 0.098 | 40% | 0.395 | C | S | . | . | G | 310 helix | trans | -72.1 | -1.7 | -179.3 | 53.5 | -100.1 | 0 | 0 | 0 | 114.3 | V297 V308 L428 R430 Y436 F438 L463 G467 | V297-W465 HydrophobicContact CG1-CZ3 4.49Å; V297-W465 HydrophobicContact CG2-CE3 3.9Å; V297-W465 HydrophobicContact CG2-CZ3 4.03Å; V308-W465 WeakPolarHBondContact CG1-O 3.48Å; L428-W465 HydrophobicContact CD1-CH2 3.78Å; L428-W465 HydrophobicContact CD1-CZ3 4.06Å; L428-W465 HydrophobicContact CD2-CH2 4.35Å; L428-W465 HydrophobicContact CD2-CZ3 4.15Å; L428-W465 HydrophobicContact CG-CH2 4.42Å; R430-W465 HydrophobicContact CG-CH2 4.15Å; R430-W465 HydrophobicContact CG-CZ2 3.81Å; Y436-W465 AromaticContact CD1-CZ2 3.9Å; Y436-W465 HydrophobicContact CD1-CZ2 3.9Å; Y436-W465 HydrophobicContact CD2-CZ2 4.31Å; Y436-W465 HydrophobicContact CE1-CZ2 4.22Å; Y436-W465 HydrophobicContact CG-CH2 4.36Å; Y436-W465 AromaticContact CG-CZ2 3.96Å; Y436-W465 HydrophobicContact CG-CZ2 3.96Å; F438-W465 AromaticContact CZ-CH2 3.76Å; F438-W465 HydrophobicContact CZ-CH2 3.76Å; F438-W465 HydrophobicContact CZ-CZ3 4.34Å; L463-W465 HydrophobicContact CB-CD2 4.37Å; L463-W465 HydrophobicContact CB-CZ2 4.22Å; L463-W465 HydrophobicContact CD1-CH2 3.97Å; L463-W465 HydrophobicContact CD1-CZ2 3.61Å; L463-W465 HydrophobicContact CD2-CZ2 4.2Å; L463-W465 HydrophobicContact CG-CZ2 4.23Å; L463-W465 PolarHBondContact O-N 3.39Å; W465-G467 VanDerWaalsContact C-N 3.28Å |
| 466 | T | 89.4 | Confident | 71.8 | Confident | 1 Ų | 1 | 78.4 Ų | 78.4 | 1% | 0.006 | 42% | 0.417 | C | S | . | . | G | 310 helix | trans | -85.3 | -3.8 | 171 | 69 | 0 | 0 | 0 | 0 | 112.5 | Y281 W459 L463 N464 C468 | Y281-T466 VanDerWaalsContact CE2-O 3.31Å; Y281-T466 WeakPolarHBondContact CE2-O 3.33Å; Y281-T466 PolarHBondContact OH-O 2.98Å; W459-T466 HydrophobicContact CE3-CG2 3.94Å; W459-T466 HydrophobicContact CZ3-CG2 4.35Å; L463-T466 HydrophobicContact CB-CG2 3.76Å; L463-T466 HydrophobicContact CD1-CG2 4.32Å; L463-T466 PolarHBondContact O-N 2.83Å; L463-T466 VanDerWaalsContact O-N 3.13Å; L463-T466 PolarHBondContact O-OG1 3.36Å; N464-T466 PolarHBondContact O-N 2.94Å; N464-T466 VanDerWaalsContact O-N 3.15Å; T466-C468 VanDerWaalsContact C-N 3.27Å; T466-C468 PolarHBondContact O-N 3.36Å |
| 467 | G | 87.3 | Confident | 68.8 | Low | 13 Ų | 13 | 79.8 Ų | 79.8 | 13% | 0.134 | 43% | 0.427 | C | S | . | . | S | Bend | trans | 70.7 | 22.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | G312 V314 N464 W465 | G312-G467 WeakPolarHBondContact O-CA 3.27Å; V314-G467 WeakPolarHBondContact CG2-O 3.43Å; N464-G467 PolarHBondContact O-N 2.86Å; W465-G467 VanDerWaalsContact C-N 3.28Å |
| 468 | C | 85.3 | Confident | 65.9 | Low | 2 Ų | 2 | 90.4 Ų | 90.4 | 1% | 0.014 | 48% | 0.478 | C | S | . | . | trans | -104.4 | -3.5 | -177.9 | -60.9 | 0 | 0 | 0 | 0 | 113.7 | C282 W459 A460 T466 N470 | C282-C468 WeakPolarHBondContact CA-SG 3.12Å; C282-C468 HydrophobicContact CB-CB 3.75Å; C282-C468 WeakPolarHBondContact CB-SG 3.36Å; C282-C468 VanDerWaalsContact SG-CA 3.51Å; C282-C468 WeakPolarHBondContact SG-CB 3.42Å; C282-C468 CovalentContact SG-SG 2.04Å; C282-C468 PolarHBondContact SG-SG 2.88Å; W459-C468 VanDerWaalsContact CZ3-SG 3.6Å; A460-C468 HydrophobicContact CB-CB 3.92Å; A460-C468 VanDerWaalsContact O-CB 3.24Å; A460-C468 WeakPolarHBondContact O-CB 2.91Å; T466-C468 VanDerWaalsContact C-N 3.27Å; T466-C468 PolarHBondContact O-N 3.36Å; C468-N470 VanDerWaalsContact C-N 3.29Å; C468-N470 PolarHBondContact O-N 3.5Å | ||
| 469 | S | 69.5 | Low | 64.7 | Low | 58 Ų | 58 | 91.2 Ų | 91.2 | 41% | 0.406 | 48% | 0.482 | S | S | . | . | trans | -77.7 | -4.3 | -170.6 | -55.4 | 0 | 0 | 0 | 0 | 115.4 | N464 I471 | N464-S469 WeakPolarHBondContact CA-OG 3.39Å; S469-I471 PolarHBondContact O-N 2.95Å; S469-I471 VanDerWaalsContact O-N 3.11Å | ||
| 470 | N | 56.1 | Low | 63.4 | Low | 141 Ų | 141 | 95.9 Ų | 95.9 | 75% | 0.754 | 51% | 0.507 | S | S | * | . | trans | -86.8 | 62.1 | 172.5 | -71.2 | -12.4 | 0 | 0 | 0 | 110.7 | C468 P472 | C468-N470 VanDerWaalsContact C-N 3.29Å; C468-N470 PolarHBondContact O-N 3.5Å; N470-P472 VanDerWaalsContact O-CD 3.32Å; N470-P472 WeakPolarHBondContact O-CD 3.42Å | ||
| 471 | I | 49.5 | Very low | 62.1 | Low | 103 Ų | 103 | 100.2 Ų | 100.2 | 53% | 0.528 | 53% | 0.527 | S | S | . | . | trans | -88.7 | 107.6 | 167.3 | -59.2 | 168.1 | 0 | 0 | 0 | 105.8 | L278 S469 R473 | L278-I471 HydrophobicContact CD1-CG1 4.2Å; S469-I471 PolarHBondContact O-N 2.95Å; S469-I471 VanDerWaalsContact O-N 3.11Å; I471-R473 PolarHBondContact O-N 2.83Å; I471-R473 VanDerWaalsContact O-N 3.1Å | ||
| 472 | P | 35.3 | Very low | 60.7 | Low | 109 Ų | 109 | 97.1 Ų | 97.1 | 71% | 0.708 | 52% | 0.519 | S | S | * | . | trans | -59.3 | 120.7 | 159.9 | -8.2 | 23.4 | 0 | 0 | 0 | 105.1 | N470 S474 | N470-P472 VanDerWaalsContact O-CD 3.32Å; N470-P472 WeakPolarHBondContact O-CD 3.42Å; P472-S474 VanDerWaalsContact C-N 3.32Å; P472-S474 PolarHBondContact O-N 3.24Å | ||
| 473 | R | 33.1 | Very low | 58.9 | Low | 229 Ų | 229 | 99.3 Ų | 99.3 | 86% | 0.864 | 53% | 0.53 | S | S | * | . | trans | -55.9 | 105.1 | 167.1 | -71.4 | -178.4 | 176.4 | -179.6 | -1.4 | 105.9 | I471 N475 | I471-R473 PolarHBondContact O-N 2.83Å; I471-R473 VanDerWaalsContact O-N 3.1Å; R473-N475 PolarHBondContact O-N 2.61Å | ||
| 474 | S | 31.9 | Very low | 56.8 | Low | 110 Ų | 110 | 105.3 Ų | 105.3 | 77% | 0.769 | 56% | 0.563 | S | S | * | * | trans | -55.5 | 114.6 | 159.4 | 173.8 | 0 | 0 | 0 | 0 | 104.6 | P472 D476 | P472-S474 VanDerWaalsContact C-N 3.32Å; P472-S474 PolarHBondContact O-N 3.24Å; S474-D476 PolarHBondContact O-N 2.72Å | ||
| 475 | N | 32.6 | Very low | 54.6 | Low | 124 Ų | 124 | 104.6 Ų | 104.6 | 66% | 0.663 | 56% | 0.559 | S | S | * | * | trans | -54.5 | 116.4 | 176.7 | -70 | -33.2 | 0 | 0 | 0 | 107.7 | R473 I477 | R473-N475 PolarHBondContact O-N 2.61Å; N475-I477 HydrophobicContact CB-CD1 4.23Å; N475-I477 HydrophobicContact CB-CG1 3.77Å; N475-I477 PolarHBondContact O-N 3.12Å | ||
| 476 | D | 36.1 | Very low | 51.8 | Low | 170 Ų | 170 | 110.7 Ų | 110.7 | 91% | 0.909 | 59% | 0.594 | S | S | * | * | trans | -61.9 | 95.6 | 153.2 | -72.7 | -38.3 | 0 | 0 | 0 | 105.6 | S474 | S474-D476 PolarHBondContact O-N 2.72Š| ||
| 477 | I | 34.8 | Very low | 48.7 | Very low | 139 Ų | 139 | 119.8 Ų | 119.8 | 71% | 0.713 | 64% | 0.643 | S | S | * | * | trans | -98 | 98.6 | 163.5 | -58.1 | -178.1 | 0 | 0 | 0 | 105.7 | N475 | N475-I477 HydrophobicContact CB-CD1 4.23Å; N475-I477 HydrophobicContact CB-CG1 3.77Å; N475-I477 PolarHBondContact O-N 3.12Å | ||
| 478 | L | 33.1 | Very low | 45.2 | Very low | 240 Ų | 240 | 129.5 Ų | 129.5 | 100% | 1.257 | 69% | 0.689 | S | S | * | * | trans | 42.9 | 0 | 154.9 | -75.8 | 158.2 | 0 | 0 | 0 | 118.9 |
Retrieved 478 of 478 residues in 277.4 ms
(Link to these results)