| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 37.8 | Very low | 40 | Very low | 251 Ų | 251 | 117.1 Ų | 117.1 | 100% | 1.236 | 68% | 0.682 | S | S | * | * | 0 | 94.6 | 0 | -81 | -175.5 | 176.4 | 0 | 0 | 108.9 | |||||
| 2 | A | 30.1 | Very low | 41 | Very low | 99 Ų | 99 | 112.2 Ų | 112.2 | 82% | 0.818 | 66% | 0.656 | S | S | * | * | trans | -174.9 | 71.3 | 149.8 | 0 | 0 | 0 | 0 | 0 | 103.9 | S4 | A2-S4 PolarHBondContact O-N 3.03Š| ||
| 3 | E | 32.9 | Very low | 41.5 | Very low | 186 Ų | 186 | 114 Ų | 114 | 87% | 0.869 | 66% | 0.66 | S | S | * | * | trans | -65.6 | 106.6 | 162.9 | -74.4 | 170.7 | 156.9 | 0 | 0 | 105.9 | E5 | E3-E5 PolarHBondContact O-N 3.16Š| ||
| 4 | S | 33.3 | Very low | 42 | Very low | 114 Ų | 114 | 112.3 Ų | 112.3 | 80% | 0.797 | 64% | 0.642 | S | S | * | * | trans | -84.3 | 94 | 157 | 64.1 | 0 | 0 | 0 | 0 | 106.2 | A2 A6 | A2-S4 PolarHBondContact O-N 3.03Å; S4-A6 VanDerWaalsContact C-N 3.3Å; S4-A6 PolarHBondContact O-N 3.41Å | ||
| 5 | E | 38.7 | Very low | 42.7 | Very low | 180 Ų | 180 | 105.9 Ų | 105.9 | 84% | 0.841 | 60% | 0.604 | S | S | * | * | trans | -51.9 | 96.3 | 162.6 | -70 | 179 | 145.8 | 0 | 0 | 108.3 | E3 D7 | E3-E5 PolarHBondContact O-N 3.16Å; E5-D7 PolarHBondContact O-N 3.2Å | ||
| 6 | A | 37.1 | Very low | 43.3 | Very low | 82 Ų | 82 | 105.2 Ų | 105.2 | 68% | 0.678 | 59% | 0.594 | S | S | * | * | trans | -79.2 | 105.3 | 169.5 | 0 | 0 | 0 | 0 | 0 | 106.9 | S4 T8 | S4-A6 VanDerWaalsContact C-N 3.3Å; S4-A6 PolarHBondContact O-N 3.41Å; A6-T8 PolarHBondContact O-N 3.38Å | ||
| 7 | D | 40.6 | Very low | 43.9 | Very low | 148 Ų | 148 | 104.8 Ų | 104.8 | 79% | 0.791 | 60% | 0.6 | S | S | * | * | trans | -37.8 | 99 | 177 | -88.7 | -36.1 | 0 | 0 | 0 | 113 | E5 K18 | E5-D7 PolarHBondContact O-N 3.2Å; D7-K18 PolarHBondContact O-NZ 3.19Å | ||
| 8 | T | 42.2 | Very low | 45.5 | Very low | 74 Ų | 74 | 104.6 Ų | 104.6 | 45% | 0.454 | 59% | 0.591 | S | S | . | * | trans | -75.5 | 120.9 | 170.1 | -10.6 | 0 | 0 | 0 | 0 | 107.8 | A6 S10 R150 | A6-T8 PolarHBondContact O-N 3.38Å; T8-S10 PolarHBondContact O-N 3.05Å; T8-S10 PolarHBondContact O-OG 2.73Å; T8-R150 WeakPolarHBondContact CG2-O 3.24Å | ||
| 9 | P | 44.2 | Very low | 47.5 | Very low | 18 Ų | 18 | 100.7 Ų | 100.7 | 12% | 0.117 | 57% | 0.566 | C | S | . | * | trans | -65.5 | 130.7 | -169.4 | 24 | -30.6 | 0 | 0 | 0 | 111.2 | E14 F15 | P9-E14 HydrophobicContact CB-CB 4.08Å; P9-F15 HydrophobicContact CG-CD2 4.23Å | ||
| 10 | S | 52.8 | Low | 49.8 | Very low | 74 Ų | 74 | 96.9 Ų | 96.9 | 52% | 0.517 | 54% | 0.543 | S | S | . | . | trans | -100 | -12 | -171.7 | -61.1 | 0 | 0 | 0 | 0 | 112.6 | T8 E14 | T8-S10 PolarHBondContact O-N 3.05Å; T8-S10 PolarHBondContact O-OG 2.73Å; S10-E14 PolarHBondContact N-OE2 2.73Å | ||
| 11 | T | 50.6 | Low | 51.9 | Low | 62 Ų | 62 | 99.3 Ų | 99.3 | 38% | 0.38 | 55% | 0.55 | S | S | . | * | S | Bend | trans | -140.6 | 155.6 | -173.6 | 66.5 | 0 | 0 | 0 | 0 | 113.9 | I13 E14 F15 | T11-I13 PolarHBondContact O-N 3.11Å; T11-E14 PolarHBondContact O-N 2.98Å; T11-F15 PolarHBondContact O-N 3.48Å |
| 12 | P | 51.2 | Low | 54.6 | Low | 58 Ų | 58 | 90.4 Ų | 90.4 | 38% | 0.377 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -56.3 | -29.9 | 175.2 | -26.2 | 34.9 | 0 | 0 | 0 | 114.5 | ||
| 13 | I | 47.6 | Very low | 57.7 | Low | 136 Ų | 136 | 91 Ų | 91 | 70% | 0.697 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -74.1 | -42.2 | -176.8 | -64.7 | 167 | 0 | 0 | 0 | 111.1 | T11 F15 E16 | T11-I13 PolarHBondContact O-N 3.11Å; I13-F15 PolarHBondContact O-N 2.96Å; I13-E16 PolarHBondContact O-N 2.86Å |
| 14 | E | 48.7 | Very low | 60.6 | Low | 90 Ų | 90 | 85.1 Ų | 85.1 | 42% | 0.421 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.2 | -31.8 | 175.8 | -73.1 | 167.5 | -177.4 | 0 | 0 | 112.1 | P9 S10 T11 E16 S17 | P9-E14 HydrophobicContact CB-CB 4.08Å; S10-E14 PolarHBondContact N-OE2 2.73Å; T11-E14 PolarHBondContact O-N 2.98Å; E14-E16 VanDerWaalsContact C-N 3.32Å; E14-E16 PolarHBondContact O-N 3.46Å; E14-S17 PolarHBondContact O-N 2.94Å; E14-S17 PolarHBondContact O-OG 3.33Å |
| 15 | F | 53.3 | Low | 63.6 | Low | 16 Ų | 16 | 79.9 Ų | 79.9 | 7% | 0.07 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -68.6 | -28.3 | 179 | -159.7 | -108 | 0 | 0 | 0 | 113 | P9 T11 I13 Y19 H146 M152 | P9-F15 HydrophobicContact CG-CD2 4.23Å; T11-F15 PolarHBondContact O-N 3.48Å; I13-F15 PolarHBondContact O-N 2.96Å; F15-Y19 AromaticContact CD1-CE2 3.73Å; F15-Y19 HydrophobicContact CD1-CE2 3.73Å; F15-Y19 AromaticContact CE1-CE2 3.81Å; F15-Y19 HydrophobicContact CE1-CE2 3.81Å; F15-Y19 AromaticContact CE1-CZ 3.65Å; F15-Y19 WeakPolarHBondContact CE1-OH 3.41Å; F15-Y19 VanDerWaalsContact CZ-OH 3.24Å; F15-Y19 WeakPolarHBondContact CZ-OH 3.26Å; F15-Y19 VanDerWaalsContact O-CD2 3.28Å; F15-Y19 WeakPolarHBondContact O-CD2 3.35Å; F15-Y19 VanDerWaalsContact O-CE2 3.24Å; F15-Y19 WeakPolarHBondContact O-CE2 3.35Å; F15-H146 AromaticContact CZ-CD2 3.82Å; F15-H146 AromaticContact CZ-NE2 3.69Å; F15-M152 HydrophobicContact CE2-CG 4.01Å; F15-M152 HydrophobicContact CE2-SD 3.5Å; F15-M152 VanDerWaalsContact CE2-SD 3.5Å; F15-M152 HydrophobicContact CZ-CG 4.11Å; F15-M152 HydrophobicContact CZ-SD 3.58Å; F15-M152 VanDerWaalsContact CZ-SD 3.58Å |
| 16 | E | 52.6 | Low | 66.3 | Low | 95 Ų | 95 | 73.5 Ų | 73.5 | 44% | 0.444 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -72.5 | -32.6 | 178.1 | -69.1 | -168.5 | 148.1 | 0 | 0 | 113.2 | I13 E14 K18 | I13-E16 PolarHBondContact O-N 2.86Å; E14-E16 VanDerWaalsContact C-N 3.32Å; E14-E16 PolarHBondContact O-N 3.46Å; E16-K18 PolarHBondContact O-N 3.08Å |
| 17 | S | 53.6 | Low | 69 | Low | 99 Ų | 99 | 69.6 Ų | 69.6 | 69% | 0.692 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -7.5 | -177.5 | 69 | 0 | 0 | 0 | 0 | 115 | E14 | E14-S17 PolarHBondContact O-N 2.94Å; E14-S17 PolarHBondContact O-OG 3.33Å |
| 18 | K | 72.2 | Confident | 71.4 | Confident | 100 Ų | 100 | 62.9 Ų | 62.9 | 44% | 0.435 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | 0.4 | -174.2 | -73.4 | -174 | 176.9 | 180 | 0 | 114.6 | D7 E16 P29 | D7-K18 PolarHBondContact O-NZ 3.19Å; E16-K18 PolarHBondContact O-N 3.08Å; K18-P29 WeakPolarHBondContact O-CB 3.32Å; K18-P29 VanDerWaalsContact O-CD 3.29Å; K18-P29 WeakPolarHBondContact O-CD 3.43Å; K18-P29 VanDerWaalsContact O-CG 3.28Å; K18-P29 WeakPolarHBondContact O-CG 3.33Å |
| 19 | Y | 83.9 | Confident | 73.7 | Confident | 32 Ų | 32 | 62.7 Ų | 62.7 | 13% | 0.125 | 35% | 0.348 | C | S | . | . | trans | -87.6 | 156.6 | 179.7 | -72.2 | -73.2 | 0 | 0 | 0 | 113.3 | F15 R26 L27 A171 | F15-Y19 AromaticContact CD1-CE2 3.73Å; F15-Y19 HydrophobicContact CD1-CE2 3.73Å; F15-Y19 AromaticContact CE1-CE2 3.81Å; F15-Y19 HydrophobicContact CE1-CE2 3.81Å; F15-Y19 AromaticContact CE1-CZ 3.65Å; F15-Y19 WeakPolarHBondContact CE1-OH 3.41Å; F15-Y19 VanDerWaalsContact CZ-OH 3.24Å; F15-Y19 WeakPolarHBondContact CZ-OH 3.26Å; F15-Y19 VanDerWaalsContact O-CD2 3.28Å; F15-Y19 WeakPolarHBondContact O-CD2 3.35Å; F15-Y19 VanDerWaalsContact O-CE2 3.24Å; F15-Y19 WeakPolarHBondContact O-CE2 3.35Å; Y19-R26 HydrophobicContact CD1-CG 3.62Å; Y19-R26 HydrophobicContact CD2-CG 4.06Å; Y19-R26 HydrophobicContact CE1-CG 4.26Å; Y19-R26 HydrophobicContact CG-CG 3.49Å; Y19-R26 VanDerWaalsContact CG-CG 3.49Å; Y19-L27 WeakPolarHBondContact CD1-O 3.33Å; Y19-A171 HydrophobicContact CE1-CB 3.74Å | ||
| 20 | F | 92.1 | Very high | 75.9 | Confident | 23 Ų | 23 | 65 Ų | 65 | 10% | 0.101 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 120 | 171.1 | 167 | -124.8 | 0 | 0 | 0 | 108.5 | F22 L27 C31 R32 M35 | F20-F22 HydrophobicContact CD1-CB 4.37Å; F20-F22 HydrophobicContact CE1-CB 3.69Å; F20-F22 HydrophobicContact CE1-CD2 4.13Å; F20-F22 HydrophobicContact CE1-CG 4.11Å; F20-F22 HydrophobicContact CE2-CB 4.47Å; F20-F22 HydrophobicContact CZ-CB 3.76Å; F20-F22 AromaticContact CZ-CD2 3.61Å; F20-F22 HydrophobicContact CZ-CD2 3.61Å; F20-F22 HydrophobicContact CZ-CG 4.02Å; F20-L27 HydrophobicContact CD1-CB 4.07Å; F20-L27 HydrophobicContact CD1-CD1 4.23Å; F20-L27 HydrophobicContact CE1-CD1 4.24Å; F20-L27 PolarHBondContact N-O 2.79Å; F20-L27 WeakPolarHBondContact O-CA 3.29Å; F20-L27 WeakPolarHBondContact O-CB 3.39Å; F20-L27 PolarHBondContact O-N 2.88Å; F20-L27 VanDerWaalsContact O-O 3.13Å; F20-C31 HydrophobicContact CD1-CB 3.89Å; F20-C31 HydrophobicContact CE1-CB 4.34Å; F20-R32 HydrophobicContact CB-CB 4.26Å; F20-R32 HydrophobicContact CD1-CB 4.27Å; F20-R32 HydrophobicContact CD2-CB 4.06Å; F20-R32 HydrophobicContact CD2-CG 4.11Å; F20-R32 HydrophobicContact CE2-CB 4.49Å; F20-R32 HydrophobicContact CE2-CG 4.33Å; F20-R32 HydrophobicContact CG-CB 3.93Å; F20-R32 HydrophobicContact CG-CG 4.49Å; F20-M35 HydrophobicContact CE1-CG 3.62Å; F20-M35 HydrophobicContact CE1-SD 4.3Å; F20-M35 HydrophobicContact CZ-CG 4.17Å |
| 21 | E | 94.1 | Very high | 77.8 | Confident | 149 Ų | 149 | 61.5 Ų | 61.5 | 70% | 0.696 | 33% | 0.331 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 128.4 | 175.1 | -167.3 | 169.1 | 160.6 | 0 | 0 | 109.8 | V25 | E21-V25 WeakPolarHBondContact CA-O 3.43Å |
| 22 | F | 95.9 | Very high | 79.9 | Confident | 63 Ų | 63 | 66.1 Ų | 66.1 | 28% | 0.276 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 119.5 | 179.9 | -171.6 | -104.4 | 0 | 0 | 0 | 108.8 | F20 G24 V25 L27 M35 F116 | F20-F22 HydrophobicContact CD1-CB 4.37Å; F20-F22 HydrophobicContact CE1-CB 3.69Å; F20-F22 HydrophobicContact CE1-CD2 4.13Å; F20-F22 HydrophobicContact CE1-CG 4.11Å; F20-F22 HydrophobicContact CE2-CB 4.47Å; F20-F22 HydrophobicContact CZ-CB 3.76Å; F20-F22 AromaticContact CZ-CD2 3.61Å; F20-F22 HydrophobicContact CZ-CD2 3.61Å; F20-F22 HydrophobicContact CZ-CG 4.02Å; F22-G24 VanDerWaalsContact C-N 3.25Å; F22-G24 PolarHBondContact O-N 3.24Å; F22-G24 VanDerWaalsContact O-N 3.16Å; F22-V25 PolarHBondContact N-O 3.07Å; F22-V25 WeakPolarHBondContact O-CB 3.42Å; F22-V25 PolarHBondContact O-N 3.12Å; F22-L27 HydrophobicContact CB-CD1 3.87Å; F22-M35 HydrophobicContact CD1-CB 4.36Å; F22-M35 HydrophobicContact CD1-CE 3.88Å; F22-M35 HydrophobicContact CD1-CG 4.03Å; F22-M35 HydrophobicContact CD2-CB 4.32Å; F22-M35 HydrophobicContact CD2-CG 4.02Å; F22-M35 HydrophobicContact CE1-CB 3.94Å; F22-M35 HydrophobicContact CE1-CE 4.03Å; F22-M35 HydrophobicContact CE1-CG 4.12Å; F22-M35 HydrophobicContact CE2-CB 3.88Å; F22-M35 HydrophobicContact CE2-CG 4.1Å; F22-M35 HydrophobicContact CG-CG 3.98Å; F22-M35 HydrophobicContact CZ-CB 3.67Å; F22-M35 HydrophobicContact CZ-CG 4.15Å; F22-F116 HydrophobicContact CD1-CD1 4.03Å; F22-F116 HydrophobicContact CD1-CD2 4.44Å; F22-F116 AromaticContact CD1-CE1 3.64Å; F22-F116 HydrophobicContact CD1-CE1 3.64Å; F22-F116 HydrophobicContact CD1-CE2 4.1Å; F22-F116 HydrophobicContact CD1-CG 4.44Å; F22-F116 AromaticContact CD1-CZ 3.7Å; F22-F116 HydrophobicContact CD1-CZ 3.7Å; F22-F116 AromaticContact CE1-CD1 3.92Å; F22-F116 HydrophobicContact CE1-CD1 3.92Å; F22-F116 AromaticContact CE1-CE1 3.77Å; F22-F116 HydrophobicContact CE1-CE1 3.77Å; F22-F116 HydrophobicContact CE1-CZ 4.31Å; F22-F116 WeakPolarHBondContact O-CZ 3.24Å |
| 23 | D | 94.9 | Very high | 81.9 | Confident | 112 Ų | 112 | 66.8 Ų | 66.8 | 60% | 0.599 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 44.2 | 47.6 | -177.4 | -63.1 | -18.2 | 0 | 0 | 0 | 114.4 | V25 R115 F116 | D23-V25 VanDerWaalsContact C-N 3.28Å; D23-V25 PolarHBondContact O-N 2.88Å; D23-R115 PolarHBondContact O-NH1 2.91Å; D23-F116 HydrophobicContact CB-CE1 3.98Å; D23-F116 HydrophobicContact CB-CZ 3.98Å |
| 24 | G | 93.8 | Very high | 84.1 | Confident | 63 Ų | 63 | 61.9 Ų | 61.9 | 65% | 0.649 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.9 | 3.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | F22 | F22-G24 VanDerWaalsContact C-N 3.25Å; F22-G24 PolarHBondContact O-N 3.24Å; F22-G24 VanDerWaalsContact O-N 3.16Å |
| 25 | V | 96.1 | Very high | 86.4 | Confident | 4 Ų | 4 | 58.1 Ų | 58.1 | 2% | 0.024 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 133.1 | 178.8 | -179.2 | 0 | 0 | 0 | 0 | 110.5 | E21 F22 D23 L27 P113 F116 | E21-V25 WeakPolarHBondContact CA-O 3.43Å; F22-V25 PolarHBondContact N-O 3.07Å; F22-V25 WeakPolarHBondContact O-CB 3.42Å; F22-V25 PolarHBondContact O-N 3.12Å; D23-V25 VanDerWaalsContact C-N 3.28Å; D23-V25 PolarHBondContact O-N 2.88Å; V25-L27 HydrophobicContact CG1-CD2 3.91Å; V25-L27 HydrophobicContact CG1-CG 4.25Å; V25-L27 PolarHBondContact O-N 2.97Å; V25-P113 HydrophobicContact CG1-CG 4.18Å; V25-F116 HydrophobicContact CB-CE2 3.64Å; V25-F116 HydrophobicContact CB-CZ 4.05Å; V25-F116 HydrophobicContact CG1-CE2 4.02Å; V25-F116 HydrophobicContact CG2-CE2 3.62Å; V25-F116 HydrophobicContact CG2-CZ 3.75Å |
| 26 | R | 94.2 | Very high | 88.5 | Confident | 45 Ų | 45 | 64.4 Ų | 64.4 | 17% | 0.17 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 104.5 | 172.7 | 179.6 | 175.4 | -81.5 | -152.8 | -5.5 | 110.5 | Y19 K169 L170 A171 Y172 G173 | Y19-R26 HydrophobicContact CD1-CG 3.62Å; Y19-R26 HydrophobicContact CD2-CG 4.06Å; Y19-R26 HydrophobicContact CE1-CG 4.26Å; Y19-R26 HydrophobicContact CG-CG 3.49Å; Y19-R26 VanDerWaalsContact CG-CG 3.49Å; R26-K169 PolarHBondContact NH1-O 3.45Å; R26-K169 VanDerWaalsContact NH1-O 3.08Å; R26-L170 WeakPolarHBondContact CD-O 3.36Å; R26-A171 CarbonylContact O-C 3.5Å; R26-Y172 WeakPolarHBondContact O-CA 3.4Å; R26-Y172 PolarHBondContact O-N 3.49Å; R26-G173 PolarHBondContact O-N 3.1Å |
| 27 | L | 94.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 156.2 | 176.1 | -63.1 | 178.4 | 0 | 0 | 0 | 112.2 | Y19 F20 F22 V25 C31 M35 L112 F116 Y172 | Y19-L27 WeakPolarHBondContact CD1-O 3.33Å; F20-L27 HydrophobicContact CD1-CB 4.07Å; F20-L27 HydrophobicContact CD1-CD1 4.23Å; F20-L27 HydrophobicContact CE1-CD1 4.24Å; F20-L27 PolarHBondContact N-O 2.79Å; F20-L27 WeakPolarHBondContact O-CA 3.29Å; F20-L27 WeakPolarHBondContact O-CB 3.39Å; F20-L27 PolarHBondContact O-N 2.88Å; F20-L27 VanDerWaalsContact O-O 3.13Å; F22-L27 HydrophobicContact CB-CD1 3.87Å; V25-L27 HydrophobicContact CG1-CD2 3.91Å; V25-L27 HydrophobicContact CG1-CG 4.25Å; V25-L27 PolarHBondContact O-N 2.97Å; L27-C31 HydrophobicContact CB-CB 4.01Å; L27-C31 HydrophobicContact CD1-CB 4.17Å; L27-M35 HydrophobicContact CD1-CE 3.66Å; L27-M35 HydrophobicContact CD1-SD 3.63Å; L27-L112 HydrophobicContact CD1-CD2 4.38Å; L27-L112 HydrophobicContact CD2-CD2 3.82Å; L27-F116 HydrophobicContact CD1-CD2 4.31Å; L27-F116 HydrophobicContact CD1-CE2 4.32Å; L27-Y172 HydrophobicContact CD2-CD1 3.96Å |
| 28 | P | 91.8 | Very high | 92.7 | Very high | 8 Ų | 8 | 59.4 Ų | 59.4 | 5% | 0.052 | 31% | 0.314 | C | S | . | . | trans | -55.6 | 152.1 | 170.8 | -23.4 | 32.5 | 0 | 0 | 0 | 113.3 | F30 C31 A171 Y172 | P28-F30 HydrophobicContact CB-CD1 3.81Å; P28-F30 HydrophobicContact CB-CD2 3.95Å; P28-F30 HydrophobicContact CB-CE1 3.37Å; P28-F30 HydrophobicContact CB-CE2 3.52Å; P28-F30 HydrophobicContact CB-CG 4.09Å; P28-F30 HydrophobicContact CB-CZ 3.21Å; P28-F30 HydrophobicContact CG-CE1 4.08Å; P28-F30 HydrophobicContact CG-CE2 3.79Å; P28-F30 HydrophobicContact CG-CZ 3.48Å; P28-F30 VanDerWaalsContact CG-CZ 3.48Å; P28-F30 PolarHBondContact O-N 2.88Å; P28-F30 VanDerWaalsContact O-N 3.13Å; P28-C31 WeakPolarHBondContact O-CB 3.32Å; P28-C31 PolarHBondContact O-N 2.99Å; P28-A171 HydrophobicContact CG-CB 4.14Å; P28-Y172 HydrophobicContact CG-CD2 4.42Å; P28-Y172 HydrophobicContact CG-CE1 4.14Å; P28-Y172 HydrophobicContact CG-CE2 3.74Å | ||
| 29 | P | 90.1 | Very high | 93.9 | Very high | 70 Ų | 70 | 56.5 Ų | 56.5 | 46% | 0.455 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -57.5 | -32.7 | -177.9 | 16.3 | -27.4 | 0 | 0 | 0 | 113.6 | K18 C31 R32 | K18-P29 WeakPolarHBondContact O-CB 3.32Å; K18-P29 VanDerWaalsContact O-CD 3.29Å; K18-P29 WeakPolarHBondContact O-CD 3.43Å; K18-P29 VanDerWaalsContact O-CG 3.28Å; K18-P29 WeakPolarHBondContact O-CG 3.33Å; P29-C31 PolarHBondContact O-N 2.76Å; P29-R32 WeakPolarHBondContact O-CB 3.34Å; P29-R32 PolarHBondContact O-N 3.33Å; P29-R32 VanDerWaalsContact O-N 3.12Å |
| 30 | F | 90.1 | Very high | 94.6 | Very high | 66 Ų | 66 | 60.1 Ų | 60.1 | 29% | 0.289 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -69.7 | -10.6 | -179.9 | 53.4 | -111.9 | 0 | 0 | 0 | 114 | P28 R32 K34 E90 Y91 P92 | P28-F30 HydrophobicContact CB-CD1 3.81Å; P28-F30 HydrophobicContact CB-CD2 3.95Å; P28-F30 HydrophobicContact CB-CE1 3.37Å; P28-F30 HydrophobicContact CB-CE2 3.52Å; P28-F30 HydrophobicContact CB-CG 4.09Å; P28-F30 HydrophobicContact CB-CZ 3.21Å; P28-F30 HydrophobicContact CG-CE1 4.08Å; P28-F30 HydrophobicContact CG-CE2 3.79Å; P28-F30 HydrophobicContact CG-CZ 3.48Å; P28-F30 VanDerWaalsContact CG-CZ 3.48Å; P28-F30 PolarHBondContact O-N 2.88Å; P28-F30 VanDerWaalsContact O-N 3.13Å; F30-R32 VanDerWaalsContact C-N 3.29Å; F30-K34 WeakPolarHBondContact O-CD 3.45Å; F30-K34 WeakPolarHBondContact O-CE 3.37Å; F30-K34 PolarHBondContact O-NZ 3.44Å; F30-K34 VanDerWaalsContact O-NZ 3.12Å; F30-E90 WeakPolarHBondContact CD2-O 3.28Å; F30-E90 HydrophobicContact CE2-CG 4.02Å; F30-Y91 HydrophobicContact CD2-CD1 4.47Å; F30-Y91 HydrophobicContact CE1-CE1 4.43Å; F30-Y91 AromaticContact CE2-CD1 3.62Å; F30-Y91 HydrophobicContact CE2-CD1 3.62Å; F30-Y91 AromaticContact CE2-CE1 3.9Å; F30-Y91 HydrophobicContact CE2-CE1 3.9Å; F30-Y91 AromaticContact CZ-CD1 3.64Å; F30-Y91 HydrophobicContact CZ-CD1 3.64Å; F30-Y91 AromaticContact CZ-CE1 3.51Å; F30-Y91 HydrophobicContact CZ-CE1 3.51Å; F30-P92 HydrophobicContact CB-CG 3.73Å; F30-P92 HydrophobicContact CD1-CG 4.5Å; F30-P92 HydrophobicContact CG-CG 4.17Å |
| 31 | C | 93.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 33% | 0.325 | C | S | . | . | G | 310 helix | trans | -79.7 | -13.6 | 172.3 | -60.8 | 0 | 0 | 0 | 0 | 112.5 | F20 L27 P28 P29 G33 K34 M35 | F20-C31 HydrophobicContact CD1-CB 3.89Å; F20-C31 HydrophobicContact CE1-CB 4.34Å; L27-C31 HydrophobicContact CB-CB 4.01Å; L27-C31 HydrophobicContact CD1-CB 4.17Å; P28-C31 WeakPolarHBondContact O-CB 3.32Å; P28-C31 PolarHBondContact O-N 2.99Å; P29-C31 PolarHBondContact O-N 2.76Å; C31-G33 PolarHBondContact O-N 3.43Å; C31-K34 VanDerWaalsContact O-CG 3.27Å; C31-K34 WeakPolarHBondContact O-CG 3.41Å; C31-K34 PolarHBondContact O-N 3.29Å; C31-M35 HydrophobicContact CB-SD 3.92Å |
| 32 | R | 93.6 | Very high | 95 | Very high | 159 Ų | 159 | 56 Ų | 56 | 60% | 0.6 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | 127.5 | 178.8 | -175.3 | -179.7 | -65.5 | -85.7 | 0.3 | 110.1 | F20 P29 F30 | F20-R32 HydrophobicContact CB-CB 4.26Å; F20-R32 HydrophobicContact CD1-CB 4.27Å; F20-R32 HydrophobicContact CD2-CB 4.06Å; F20-R32 HydrophobicContact CD2-CG 4.11Å; F20-R32 HydrophobicContact CE2-CB 4.49Å; F20-R32 HydrophobicContact CE2-CG 4.33Å; F20-R32 HydrophobicContact CG-CB 3.93Å; F20-R32 HydrophobicContact CG-CG 4.49Å; P29-R32 WeakPolarHBondContact O-CB 3.34Å; P29-R32 PolarHBondContact O-N 3.33Å; P29-R32 VanDerWaalsContact O-N 3.12Å; F30-R32 VanDerWaalsContact C-N 3.29Å |
| 33 | G | 93.2 | Very high | 95 | Very high | 72 Ų | 72 | 54.2 Ų | 54.2 | 74% | 0.742 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.2 | 6.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | C31 | C31-G33 PolarHBondContact O-N 3.43Š|
| 34 | K | 94.3 | Very high | 95.1 | Very high | 33 Ų | 33 | 52 Ų | 52 | 14% | 0.143 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -124.6 | -1.1 | 177.6 | 64.1 | 171.3 | 65.4 | 168.1 | 0 | 115.2 | F30 C31 E36 D37 I38 E90 Y91 L96 | F30-K34 WeakPolarHBondContact O-CD 3.45Å; F30-K34 WeakPolarHBondContact O-CE 3.37Å; F30-K34 PolarHBondContact O-NZ 3.44Å; F30-K34 VanDerWaalsContact O-NZ 3.12Å; C31-K34 VanDerWaalsContact O-CG 3.27Å; C31-K34 WeakPolarHBondContact O-CG 3.41Å; C31-K34 PolarHBondContact O-N 3.29Å; K34-E36 VanDerWaalsContact C-N 3.29Å; K34-E36 PolarHBondContact O-N 2.79Å; K34-D37 PolarHBondContact O-N 2.77Å; K34-I38 HydrophobicContact CD-CD1 3.93Å; K34-I38 HydrophobicContact CG-CD1 3.95Å; K34-I38 VanDerWaalsContact O-CG1 3.3Å; K34-I38 WeakPolarHBondContact O-CG1 3.12Å; K34-I38 PolarHBondContact O-N 3.33Å; K34-E90 PolarHBondContact NZ-O 3.15Å; K34-Y91 PolarHBondContact NZ-O 3.27Å; K34-L96 HydrophobicContact CB-CD1 4.48Å |
| 35 | M | 97.3 | Very high | 95.1 | Very high | 12 Ų | 12 | 54.5 Ų | 54.5 | 6% | 0.059 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.8 | -36 | -176.2 | -62.1 | -53.9 | -61.9 | 0 | 0 | 112.4 | F20 F22 L27 C31 I38 S39 L112 F116 | F20-M35 HydrophobicContact CE1-CG 3.62Å; F20-M35 HydrophobicContact CE1-SD 4.3Å; F20-M35 HydrophobicContact CZ-CG 4.17Å; F22-M35 HydrophobicContact CD1-CB 4.36Å; F22-M35 HydrophobicContact CD1-CE 3.88Å; F22-M35 HydrophobicContact CD1-CG 4.03Å; F22-M35 HydrophobicContact CD2-CB 4.32Å; F22-M35 HydrophobicContact CD2-CG 4.02Å; F22-M35 HydrophobicContact CE1-CB 3.94Å; F22-M35 HydrophobicContact CE1-CE 4.03Å; F22-M35 HydrophobicContact CE1-CG 4.12Å; F22-M35 HydrophobicContact CE2-CB 3.88Å; F22-M35 HydrophobicContact CE2-CG 4.1Å; F22-M35 HydrophobicContact CG-CG 3.98Å; F22-M35 HydrophobicContact CZ-CB 3.67Å; F22-M35 HydrophobicContact CZ-CG 4.15Å; L27-M35 HydrophobicContact CD1-CE 3.66Å; L27-M35 HydrophobicContact CD1-SD 3.63Å; C31-M35 HydrophobicContact CB-SD 3.92Å; M35-I38 HydrophobicContact SD-CD1 4.4Å; M35-S39 WeakPolarHBondContact O-CB 3.33Å; M35-S39 PolarHBondContact O-N 2.83Å; M35-L112 HydrophobicContact CE-CD1 4.4Å; M35-L112 HydrophobicContact CE-CD2 4.29Å; M35-F116 HydrophobicContact CE-CB 3.8Å; M35-F116 HydrophobicContact CE-CD2 4.04Å; M35-F116 HydrophobicContact CE-CG 3.91Å |
| 36 | E | 97 | Very high | 94.9 | Very high | 147 Ų | 147 | 56.7 Ų | 56.7 | 69% | 0.687 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -67.5 | -42.6 | 175 | -173.4 | 170.5 | -171.9 | 0 | 0 | 111.4 | K34 I38 S39 N40 | K34-E36 VanDerWaalsContact C-N 3.29Å; K34-E36 PolarHBondContact O-N 2.79Å; E36-I38 VanDerWaalsContact C-N 3.35Å; E36-I38 PolarHBondContact O-N 2.88Å; E36-S39 WeakPolarHBondContact O-CB 3.48Å; E36-S39 PolarHBondContact O-N 3.3Å; E36-N40 WeakPolarHBondContact O-CB 3.21Å; E36-N40 PolarHBondContact O-N 3.45Å; E36-N40 PolarHBondContact O-ND2 2.89Å; E36-N40 VanDerWaalsContact O-ND2 3.15Å |
| 37 | D | 97.1 | Very high | 95 | Very high | 90 Ų | 90 | 54.6 Ų | 54.6 | 48% | 0.481 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -64.7 | -38.6 | 176.5 | -56.5 | -37.8 | 0 | 0 | 0 | 112.1 | K34 N40 F41 L96 | K34-D37 PolarHBondContact O-N 2.77Å; D37-N40 CarbonylContact O-C 3.58Å; D37-N40 PolarHBondContact O-N 2.89Å; D37-F41 PolarHBondContact O-N 3.1Å; D37-L96 HydrophobicContact CB-CD1 3.43Å; D37-L96 VanDerWaalsContact CB-CD1 3.43Å |
| 38 | I | 97.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.9 | -46.1 | 172.9 | -68 | 168 | 0 | 0 | 0 | 109.9 | K34 M35 E36 N40 F41 I89 E90 L96 L112 P118 | K34-I38 HydrophobicContact CD-CD1 3.93Å; K34-I38 HydrophobicContact CG-CD1 3.95Å; K34-I38 VanDerWaalsContact O-CG1 3.3Å; K34-I38 WeakPolarHBondContact O-CG1 3.12Å; K34-I38 PolarHBondContact O-N 3.33Å; M35-I38 HydrophobicContact SD-CD1 4.4Å; E36-I38 VanDerWaalsContact C-N 3.35Å; E36-I38 PolarHBondContact O-N 2.88Å; I38-N40 PolarHBondContact O-N 2.98Å; I38-F41 WeakPolarHBondContact O-CB 3.35Å; I38-F41 PolarHBondContact O-N 3.26Å; I38-F41 VanDerWaalsContact O-N 3.09Å; I38-I89 HydrophobicContact CG1-CG1 4.35Å; I38-E90 HydrophobicContact CD1-CB 3.96Å; I38-L96 HydrophobicContact CG1-CD1 4.23Å; I38-L96 HydrophobicContact CG1-CD2 4.04Å; I38-L112 HydrophobicContact CD1-CD1 4.14Å; I38-L112 HydrophobicContact CG2-CD1 3.92Å; I38-P118 WeakPolarHBondContact O-CG 3.2Å |
| 39 | S | 97.7 | Very high | 95.4 | Very high | 39 Ų | 39 | 55 Ų | 55 | 27% | 0.273 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -58.7 | -37.3 | 178.1 | -176 | 0 | 0 | 0 | 0 | 112.4 | M35 E36 P118 T119 | M35-S39 WeakPolarHBondContact O-CB 3.33Å; M35-S39 PolarHBondContact O-N 2.83Å; E36-S39 WeakPolarHBondContact O-CB 3.48Å; E36-S39 PolarHBondContact O-N 3.3Å; S39-P118 WeakPolarHBondContact O-CA 3.24Å; S39-T119 PolarHBondContact O-N 3.14Å; S39-T119 PolarHBondContact OG-OG1 3Å |
| 40 | N | 97.6 | Very high | 95.7 | Very high | 107 Ų | 107 | 51.6 Ų | 51.6 | 57% | 0.572 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | 7.4 | 179.1 | -66.8 | -41.1 | 0 | 0 | 0 | 113.9 | E36 D37 I38 S42 | E36-N40 WeakPolarHBondContact O-CB 3.21Å; E36-N40 PolarHBondContact O-N 3.45Å; E36-N40 PolarHBondContact O-ND2 2.89Å; E36-N40 VanDerWaalsContact O-ND2 3.15Å; D37-N40 CarbonylContact O-C 3.58Å; D37-N40 PolarHBondContact O-N 2.89Å; I38-N40 PolarHBondContact O-N 2.98Å; N40-S42 PolarHBondContact O-N 3.06Å |
| 41 | F | 97.7 | Very high | 96.1 | Very high | 13 Ų | 13 | 48.5 Ų | 48.5 | 6% | 0.057 | 27% | 0.274 | C | S | . | . | trans | -59.9 | 128.6 | -175.9 | -175.3 | -98.4 | 0 | 0 | 0 | 110.9 | D37 I38 L43 W49 I89 L96 I99 Q100 I108 P118 | D37-F41 PolarHBondContact O-N 3.1Å; I38-F41 WeakPolarHBondContact O-CB 3.35Å; I38-F41 PolarHBondContact O-N 3.26Å; I38-F41 VanDerWaalsContact O-N 3.09Å; F41-L43 HydrophobicContact CD1-CD2 3.94Å; F41-L43 HydrophobicContact CE1-CD2 4.47Å; F41-L43 PolarHBondContact O-N 2.99Å; F41-W49 HydrophobicContact CD1-CH2 4.23Å; F41-W49 AromaticContact CD1-CZ2 3.86Å; F41-W49 HydrophobicContact CD1-CZ2 3.86Å; F41-W49 HydrophobicContact CE1-CH2 4.5Å; F41-W49 AromaticContact CE1-CZ2 3.93Å; F41-W49 HydrophobicContact CE1-CZ2 3.93Å; F41-I89 HydrophobicContact CD1-CD1 4.21Å; F41-I89 HydrophobicContact CD2-CD1 3.8Å; F41-I89 HydrophobicContact CE1-CD1 4.13Å; F41-I89 HydrophobicContact CE2-CD1 3.71Å; F41-I89 HydrophobicContact CG-CD1 4.05Å; F41-I89 HydrophobicContact CZ-CD1 3.89Å; F41-L96 HydrophobicContact CD2-CD2 4.14Å; F41-L96 HydrophobicContact CE2-CD2 4.46Å; F41-I99 HydrophobicContact CE2-CB 4.37Å; F41-I99 HydrophobicContact CE2-CG2 4.31Å; F41-I99 HydrophobicContact CZ-CB 4.25Å; F41-I99 HydrophobicContact CZ-CG2 3.74Å; F41-Q100 HydrophobicContact CE2-CB 4.34Å; F41-I108 HydrophobicContact CE1-CD1 3.96Å; F41-I108 HydrophobicContact CZ-CD1 4.31Å; F41-P118 HydrophobicContact CB-CB 4.3Å; F41-P118 HydrophobicContact CB-CG 3.93Å; F41-P118 HydrophobicContact CD1-CG 4.44Å | ||
| 42 | S | 96.9 | Very high | 96.2 | Very high | 74 Ų | 74 | 48.5 Ų | 48.5 | 52% | 0.517 | 27% | 0.274 | S | S | . | . | trans | -77.4 | 107.6 | -173.4 | -69.7 | 0 | 0 | 0 | 0 | 111.2 | N40 Q100 R106 | N40-S42 PolarHBondContact O-N 3.06Å; S42-Q100 PolarHBondContact O-OE1 3.44Å; S42-R106 PolarHBondContact O-NH2 3.22Å | ||
| 43 | L | 96.8 | Very high | 96.4 | Very high | 25 Ų | 25 | 41 Ų | 41 | 13% | 0.131 | 25% | 0.246 | C | C | . | . | trans | -78.6 | 158 | 179.5 | -56.6 | 179.6 | 0 | 0 | 0 | 112.5 | F41 W49 P118 A120 M121 E125 A126 | F41-L43 HydrophobicContact CD1-CD2 3.94Å; F41-L43 HydrophobicContact CE1-CD2 4.47Å; F41-L43 PolarHBondContact O-N 2.99Å; L43-W49 HydrophobicContact CD2-CZ2 3.78Å; L43-P118 HydrophobicContact CD1-CB 4.28Å; L43-P118 HydrophobicContact CD2-CB 4.08Å; L43-P118 HydrophobicContact CD2-CG 4.13Å; L43-P118 HydrophobicContact CG-CB 4.29Å; L43-A120 HydrophobicContact CD1-CB 3.6Å; L43-A120 HydrophobicContact CG-CB 4.25Å; L43-M121 HydrophobicContact CD1-CB 4.39Å; L43-M121 HydrophobicContact CD1-CE 4.03Å; L43-M121 HydrophobicContact CD1-CG 3.4Å; L43-M121 VanDerWaalsContact CD1-CG 3.4Å; L43-M121 HydrophobicContact CD2-CE 3.49Å; L43-M121 VanDerWaalsContact CD2-CE 3.49Å; L43-M121 HydrophobicContact CG-CE 4.41Å; L43-E125 HydrophobicContact CD1-CB 4.01Å; L43-A126 HydrophobicContact CD1-CB 4.25Å | ||
| 44 | R | 95.8 | Very high | 96.4 | Very high | 66 Ų | 66 | 38 Ų | 38 | 25% | 0.249 | 21% | 0.213 | C | C | . | . | trans | -121.9 | 148.1 | 168.9 | -53.8 | 172.5 | -170.3 | 172.3 | 4 | 107.9 | S46 D47 Q100 L102 S104 | R44-S46 PolarHBondContact O-N 3.5Å; R44-S46 VanDerWaalsContact O-N 3.1Å; R44-D47 PolarHBondContact N-OD2 3.34Å; R44-D47 WeakPolarHBondContact O-CB 3.49Å; R44-D47 PolarHBondContact O-N 2.91Å; R44-Q100 PolarHBondContact NH2-O 2.91Å; R44-L102 PolarHBondContact NH1-O 2.91Å; R44-L102 PolarHBondContact NH2-O 3.49Å; R44-S104 WeakPolarHBondContact CD-OG 3.46Å; R44-S104 PolarHBondContact NH1-OG 3.01Å | ||
| 45 | S | 93.9 | Very high | 96.2 | Very high | 115 Ų | 115 | 38.7 Ų | 38.7 | 80% | 0.804 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -21.9 | -179.3 | 58 | 0 | 0 | 0 | 0 | 113.9 | ||
| 46 | S | 93.2 | Very high | 95.7 | Very high | 50 Ų | 50 | 38.1 Ų | 38.1 | 35% | 0.35 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | 3.3 | 176.6 | 58 | 0 | 0 | 0 | 0 | 114.3 | R44 S104 P105 | R44-S46 PolarHBondContact O-N 3.5Å; R44-S46 VanDerWaalsContact O-N 3.1Å; S46-S104 PolarHBondContact OG-OG 3.35Å; S46-P105 WeakPolarHBondContact O-CB 3.45Å |
| 47 | D | 95.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 19% | 0.187 | C | C | . | . | trans | -71.1 | 138.3 | 176.2 | -67.4 | -20.2 | 0 | 0 | 0 | 111.1 | R44 R106 A126 K127 | R44-D47 PolarHBondContact N-OD2 3.34Å; R44-D47 WeakPolarHBondContact O-CB 3.49Å; R44-D47 PolarHBondContact O-N 2.91Å; D47-R106 WeakPolarHBondContact OD1-CB 3.46Å; D47-R106 IonicContact OD1-CZ 3.5Å; D47-R106 IonicContact OD1-NE 3.45Å; D47-R106 PolarHBondContact OD1-NE 3.38Å; D47-R106 IonicContact OD1-NH2 3.54Å; D47-R106 PolarHBondContact OD1-NH2 3.23Å; D47-R106 IonicContact OD2-CZ 2.73Å; D47-R106 IonicContact OD2-NE 2.65Å; D47-R106 PolarHBondContact OD2-NE 2.89Å; D47-R106 IonicContact OD2-NH2 3.45Å; D47-R106 PolarHBondContact OD2-NH2 3.14Å; D47-A126 HydrophobicContact CB-CB 3.97Å; D47-K127 PolarHBondContact O-N 3.46Å | ||
| 48 | I | 95.9 | Very high | 94 | Very high | 16 Ų | 16 | 28 Ų | 28 | 8% | 0.082 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 125.4 | 173.9 | -56.8 | 159.6 | 0 | 0 | 0 | 107.3 | V65 R106 L107 I108 K127 I129 L214 | I48-V65 HydrophobicContact CG2-CG1 4.09Å; I48-R106 PolarHBondContact N-O 3.27Å; I48-L107 HydrophobicContact CB-CD1 3.51Å; I48-L107 HydrophobicContact CD1-CD1 3.91Å; I48-L107 HydrophobicContact CG1-CD1 4.32Å; I48-L107 HydrophobicContact CG2-CD1 3.59Å; I48-L107 WeakPolarHBondContact O-CA 3.41Å; I48-I108 PolarHBondContact O-N 3.34Å; I48-K127 CarbonylContact C-O 3.58Å; I48-K127 WeakPolarHBondContact CA-O 3.3Å; I48-I129 HydrophobicContact CG2-CD1 3.72Å; I48-I129 HydrophobicContact CG2-CG1 4.48Å; I48-L214 HydrophobicContact CB-CD2 4.49Å; I48-L214 HydrophobicContact CD1-CD2 3.61Å; I48-L214 HydrophobicContact CG1-CD2 3.78Å; I48-L214 HydrophobicContact CG2-CD2 3.87Å |
| 49 | W | 97.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 128 | -176.7 | -75.6 | 71.2 | 0 | 0 | 0 | 110.1 | F41 L43 V51 I89 I108 P118 M121 K127 V128 I129 | F41-W49 HydrophobicContact CD1-CH2 4.23Å; F41-W49 AromaticContact CD1-CZ2 3.86Å; F41-W49 HydrophobicContact CD1-CZ2 3.86Å; F41-W49 HydrophobicContact CE1-CH2 4.5Å; F41-W49 AromaticContact CE1-CZ2 3.93Å; F41-W49 HydrophobicContact CE1-CZ2 3.93Å; L43-W49 HydrophobicContact CD2-CZ2 3.78Å; W49-V51 HydrophobicContact CB-CG2 4.44Å; W49-I89 HydrophobicContact CH2-CB 4.04Å; W49-I89 HydrophobicContact CH2-CD1 3.89Å; W49-I89 HydrophobicContact CH2-CG1 3.81Å; W49-I89 HydrophobicContact CH2-CG2 4.29Å; W49-I89 HydrophobicContact CZ3-CB 3.99Å; W49-I89 HydrophobicContact CZ3-CG1 4.23Å; W49-I89 HydrophobicContact CZ3-CG2 3.84Å; W49-I108 CarbonylContact C-O 3.52Å; W49-I108 VanDerWaalsContact CA-O 3.28Å; W49-I108 WeakPolarHBondContact CA-O 3.41Å; W49-I108 HydrophobicContact CD2-CB 3.98Å; W49-I108 HydrophobicContact CD2-CG2 4.04Å; W49-I108 HydrophobicContact CE3-CB 4.26Å; W49-I108 HydrophobicContact CE3-CG2 3.85Å; W49-I108 HydrophobicContact CG-CB 4.49Å; W49-I108 HydrophobicContact CH2-CG2 3.74Å; W49-I108 HydrophobicContact CZ2-CB 4.22Å; W49-I108 HydrophobicContact CZ2-CD1 3.69Å; W49-I108 HydrophobicContact CZ2-CG2 3.89Å; W49-I108 HydrophobicContact CZ3-CG2 3.71Å; W49-P118 HydrophobicContact CH2-CG 3.78Å; W49-P118 HydrophobicContact CZ2-CG 4.11Å; W49-P118 HydrophobicContact CZ3-CG 4.46Å; W49-M121 HydrophobicContact CD2-CE 3.21Å; W49-M121 HydrophobicContact CD2-SD 4.26Å; W49-M121 HydrophobicContact CE3-CE 3.68Å; W49-M121 HydrophobicContact CG-CE 3.62Å; W49-M121 HydrophobicContact CG-SD 4.31Å; W49-M121 HydrophobicContact CH2-CE 3.77Å; W49-M121 HydrophobicContact CZ2-CE 3.34Å; W49-M121 HydrophobicContact CZ3-CE 3.93Å; W49-M121 VanDerWaalsContact NE1-CE 3.34Å; W49-K127 WeakPolarHBondContact CB-O 3.35Å; W49-K127 PolarHBondContact N-O 3.47Å; W49-V128 HydrophobicContact CB-CG2 4.37Å; W49-I129 PolarHBondContact O-N 3.45Å |
| 50 | I | 97.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 110.8 | 175.7 | -60.1 | -179.6 | 0 | 0 | 0 | 107.3 | L61 Q62 V65 L86 L107 I108 K109 S110 | I50-L61 HydrophobicContact CG2-CD2 3.62Å; I50-L61 HydrophobicContact CG2-CG 4.15Å; I50-Q62 HydrophobicContact CD1-CB 3.86Å; I50-V65 HydrophobicContact CD1-CB 3.83Å; I50-V65 HydrophobicContact CD1-CG1 3.88Å; I50-V65 HydrophobicContact CD1-CG2 4.07Å; I50-V65 HydrophobicContact CG1-CG1 4.34Å; I50-V65 HydrophobicContact CG1-CG2 4.49Å; I50-L86 HydrophobicContact CD1-CD1 4.27Å; I50-L107 HydrophobicContact CD1-CD2 4.18Å; I50-L107 HydrophobicContact CD1-CG 4.2Å; I50-I108 PolarHBondContact N-O 3.19Å; I50-K109 WeakPolarHBondContact O-CA 3.26Å; I50-S110 PolarHBondContact O-N 3.49Å |
| 51 | V | 97.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 132.7 | -176.3 | -167.1 | 0 | 0 | 0 | 0 | 110.5 | W49 S110 L117 V128 I129 Y130 M131 F182 | W49-V51 HydrophobicContact CB-CG2 4.44Å; V51-S110 WeakPolarHBondContact CA-O 3.49Å; V51-L117 HydrophobicContact CG2-CD1 4.14Å; V51-L117 HydrophobicContact CG2-CD2 4.3Å; V51-V128 HydrophobicContact CG2-CG1 3.89Å; V51-I129 PolarHBondContact N-O 2.65Å; V51-Y130 HydrophobicContact CB-CD2 4.17Å; V51-Y130 HydrophobicContact CG1-CD2 4.24Å; V51-Y130 VanDerWaalsContact O-CA 3.28Å; V51-Y130 WeakPolarHBondContact O-CA 3.43Å; V51-Y130 VanDerWaalsContact O-CD2 3.27Å; V51-Y130 WeakPolarHBondContact O-CD2 3.31Å; V51-M131 PolarHBondContact O-N 3.36Å; V51-M131 VanDerWaalsContact O-N 3.08Å; V51-F182 HydrophobicContact CB-CE1 4.07Å; V51-F182 HydrophobicContact CB-CZ 4.04Å; V51-F182 HydrophobicContact CG1-CE1 3.95Å; V51-F182 HydrophobicContact CG1-CE2 4.03Å; V51-F182 HydrophobicContact CG1-CZ 3.38Å; V51-F182 HydrophobicContact CG2-CE1 4.49Å |
| 52 | T | 97.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 148.7 | 179.5 | 60.7 | 0 | 0 | 0 | 0 | 110.1 | T58 S110 H111 M131 | T52-T58 HydrophobicContact CG2-CG2 3.59Å; T52-T58 WeakPolarHBondContact OG1-CG2 3.31Å; T52-S110 PolarHBondContact N-O 2.7Å; T52-H111 VanDerWaalsContact O-CA 3.31Å; T52-H111 WeakPolarHBondContact O-CA 3.33Å; T52-H111 PolarHBondContact O-ND1 2.89Å; T52-H111 PolarHBondContact OG1-CE1 3.19Å; T52-H111 VanDerWaalsContact OG1-CE1 3.27Å; T52-H111 PolarHBondContact OG1-ND1 3.37Å; T52-H111 VanDerWaalsContact OG1-ND1 3.16Å; T52-M131 HydrophobicContact CG2-CB 3.97Å |
| 53 | Y | 97.1 | Very high | 90.8 | Very high | 2 Ų | 2 | 20.5 Ų | 20.5 | 1% | 0.008 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -62.4 | 141.5 | 156.3 | -164.5 | -90 | 0 | 0 | 0 | 108.7 | K55 S56 L138 Y142 F165 A171 G173 W175 H178 | Y53-K55 PolarHBondContact O-N 2.94Å; Y53-S56 VanDerWaalsContact O-CB 3.31Å; Y53-S56 WeakPolarHBondContact O-CB 3.29Å; Y53-S56 PolarHBondContact O-N 3.39Å; Y53-S56 PolarHBondContact O-OG 3.43Å; Y53-L138 HydrophobicContact CD1-CD1 3.94Å; Y53-L138 HydrophobicContact CD1-CD2 3.89Å; Y53-L138 HydrophobicContact CD1-CG 4.47Å; Y53-L138 HydrophobicContact CE1-CD2 4.03Å; Y53-Y142 HydrophobicContact CE1-CD1 4.14Å; Y53-Y142 AromaticContact CE1-CE1 3.92Å; Y53-Y142 HydrophobicContact CE1-CE1 3.92Å; Y53-F165 HydrophobicContact CE1-CE2 4.46Å; Y53-A171 PolarHBondContact OH-O 3.34Å; Y53-G173 PolarHBondContact OH-O 3.28Å; Y53-W175 HydrophobicContact CD1-CB 4.46Å; Y53-W175 AromaticContact CD1-CD1 3.79Å; Y53-W175 HydrophobicContact CD2-CB 4.28Å; Y53-W175 HydrophobicContact CE1-CB 4.21Å; Y53-W175 HydrophobicContact CE2-CB 4.03Å; Y53-W175 HydrophobicContact CG-CB 4.47Å; Y53-W175 AromaticContact CG-CD1 3.69Å; Y53-W175 HydrophobicContact CG-CG 4.49Å; Y53-H178 HydrophobicContact CD2-CB 3.84Å; Y53-H178 AromaticContact CD2-CD2 3.75Å; Y53-H178 AromaticContact CD2-CG 3.7Å; Y53-H178 HydrophobicContact CE2-CB 4.39Å |
| 54 | P | 93.3 | Very high | 90.3 | Very high | 8 Ų | 8 | 19.5 Ų | 19.5 | 5% | 0.052 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -48.8 | 134 | -178.3 | -27.5 | 30.7 | 0 | 0 | 0 | 112.5 | S56 H111 Y142 Y172 | P54-S56 VanDerWaalsContact C-N 3.34Å; P54-S56 PolarHBondContact O-N 2.84Å; P54-H111 HydrophobicContact CG-CB 4.18Å; P54-Y142 HydrophobicContact CB-CE1 3.96Å; P54-Y142 HydrophobicContact CB-CE2 3.99Å; P54-Y142 HydrophobicContact CG-CE1 4.35Å; P54-Y172 HydrophobicContact CG-CD2 3.29Å; P54-Y172 HydrophobicContact CG-CE2 3.7Å; P54-Y172 HydrophobicContact CG-CG 4.12Å |
| 55 | K | 89.1 | Confident | 90.1 | Very high | 49 Ų | 49 | 16.3 Ų | 16.3 | 21% | 0.213 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70 | 23.7 | 176.8 | -48.4 | -55.1 | -58.7 | 172.6 | 0 | 115.6 | Y53 G57 R133 S141 Y142 F145 | Y53-K55 PolarHBondContact O-N 2.94Å; K55-G57 VanDerWaalsContact C-N 3.27Å; K55-G57 PolarHBondContact O-N 3.04Å; K55-R133 PolarHBondContact O-NH1 3.31Å; K55-S141 WeakPolarHBondContact CE-OG 3.47Å; K55-Y142 HydrophobicContact CB-CG 4.48Å; K55-Y142 HydrophobicContact CG-CD2 3.69Å; K55-Y142 HydrophobicContact CG-CE2 4.36Å; K55-Y142 HydrophobicContact CG-CG 3.99Å; K55-F145 HydrophobicContact CD-CB 3.9Å; K55-F145 HydrophobicContact CD-CD1 4.03Å; K55-F145 HydrophobicContact CD-CD2 3.89Å; K55-F145 HydrophobicContact CD-CE1 4.44Å; K55-F145 HydrophobicContact CD-CE2 4.32Å; K55-F145 HydrophobicContact CD-CG 3.68Å; K55-F145 HydrophobicContact CG-CB 4.21Å; K55-F145 HydrophobicContact CG-CD1 4.39Å; K55-F145 HydrophobicContact CG-CG 4.31Å |
| 56 | S | 86.7 | Confident | 89.7 | Confident | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 7% | 0.07 | C | C | . | . | S | Bend | trans | -84.3 | 12.9 | 171.6 | -50.9 | 0 | 0 | 0 | 0 | 114.8 | Y53 P54 L138 | Y53-S56 VanDerWaalsContact O-CB 3.31Å; Y53-S56 WeakPolarHBondContact O-CB 3.29Å; Y53-S56 PolarHBondContact O-N 3.39Å; Y53-S56 PolarHBondContact O-OG 3.43Å; P54-S56 VanDerWaalsContact C-N 3.34Å; P54-S56 PolarHBondContact O-N 2.84Å; S56-L138 WeakPolarHBondContact OG-CD1 3.48Å |
| 57 | G | 79.6 | Confident | 89.4 | Confident | 13 Ų | 13 | 9.6 Ų | 9.6 | 13% | 0.134 | 5% | 0.054 | C | C | . | . | S | Bend | trans | 99.7 | 24.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | K55 S59 L60 L61 | K55-G57 VanDerWaalsContact C-N 3.27Å; K55-G57 PolarHBondContact O-N 3.04Å; G57-S59 VanDerWaalsContact C-N 3.27Å; G57-S59 PolarHBondContact O-N 3.28Å; G57-L60 PolarHBondContact O-N 3.39Å; G57-L61 PolarHBondContact O-N 2.98Å; G57-L61 VanDerWaalsContact O-N 3.08Å |
| 58 | T | 78.9 | Confident | 88.9 | Confident | 11 Ų | 11 | 9.7 Ų | 9.7 | 7% | 0.067 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -47.8 | -44.8 | 179.1 | 39.8 | 0 | 0 | 0 | 0 | 114.9 | T52 L60 L61 Q62 K109 | T52-T58 HydrophobicContact CG2-CG2 3.59Å; T52-T58 WeakPolarHBondContact OG1-CG2 3.31Å; T58-L60 VanDerWaalsContact C-N 3.3Å; T58-L60 PolarHBondContact O-N 3.5Å; T58-L61 PolarHBondContact O-N 2.89Å; T58-Q62 VanDerWaalsContact O-CB 3.28Å; T58-Q62 WeakPolarHBondContact O-CB 3.17Å; T58-Q62 VanDerWaalsContact O-CG 3.25Å; T58-Q62 WeakPolarHBondContact O-CG 3.45Å; T58-Q62 PolarHBondContact O-N 3.49Å; T58-K109 HydrophobicContact CG2-CD 4.2Å |
| 59 | S | 80.9 | Confident | 88.3 | Confident | 35 Ų | 35 | 10.7 Ų | 10.7 | 25% | 0.245 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -65.9 | -36.9 | -172 | -53.5 | 0 | 0 | 0 | 0 | 111.6 | G57 Q62 E63 | G57-S59 VanDerWaalsContact C-N 3.27Å; G57-S59 PolarHBondContact O-N 3.28Å; S59-Q62 VanDerWaalsContact O-CG 3.3Å; S59-Q62 WeakPolarHBondContact O-CG 3.39Å; S59-E63 VanDerWaalsContact O-CG 3.32Å; S59-E63 WeakPolarHBondContact O-CG 3.45Å |
| 60 | L | 82.9 | Confident | 87.1 | Confident | 15 Ų | 15 | 16.5 Ų | 16.5 | 8% | 0.079 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -81.8 | -38.6 | 178.7 | -168.6 | 54.3 | 0 | 0 | 0 | 112 | G57 T58 Q62 E63 V64 M199 F200 I234 C237 | G57-L60 PolarHBondContact O-N 3.39Å; T58-L60 VanDerWaalsContact C-N 3.3Å; T58-L60 PolarHBondContact O-N 3.5Å; L60-Q62 VanDerWaalsContact C-N 3.32Å; L60-Q62 PolarHBondContact O-N 2.81Å; L60-E63 PolarHBondContact O-N 3.2Å; L60-V64 WeakPolarHBondContact O-CG2 3.2Å; L60-V64 PolarHBondContact O-N 3.15Å; L60-V64 VanDerWaalsContact O-N 3.11Å; L60-M199 HydrophobicContact CB-CE 3.9Å; L60-M199 HydrophobicContact CD2-CE 3.16Å; L60-M199 HydrophobicContact CG-CE 3.32Å; L60-F200 HydrophobicContact CD2-CZ 3.87Å; L60-I234 HydrophobicContact CD1-CB 4.28Å; L60-I234 HydrophobicContact CD1-CG1 3.72Å; L60-I234 HydrophobicContact CD2-CB 4.36Å; L60-I234 HydrophobicContact CD2-CG1 3.91Å; L60-I234 HydrophobicContact CD2-CG2 3.98Å; L60-I234 HydrophobicContact CG-CG1 4Å; L60-C237 HydrophobicContact CD1-CB 4.09Å |
| 61 | L | 85.6 | Confident | 85.5 | Confident | 2 Ų | 2 | 19.5 Ų | 19.5 | 1% | 0.01 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -58.8 | -45.7 | 173.6 | 177.3 | 56.9 | 0 | 0 | 0 | 111.5 | I50 G57 T58 E63 V64 V65 I129 M131 L194 | I50-L61 HydrophobicContact CG2-CD2 3.62Å; I50-L61 HydrophobicContact CG2-CG 4.15Å; G57-L61 PolarHBondContact O-N 2.98Å; G57-L61 VanDerWaalsContact O-N 3.08Å; T58-L61 PolarHBondContact O-N 2.89Å; L61-E63 VanDerWaalsContact C-N 3.31Å; L61-E63 PolarHBondContact O-N 2.69Å; L61-V64 PolarHBondContact O-N 3.26Å; L61-V65 HydrophobicContact CD1-CG2 3.53Å; L61-V65 HydrophobicContact CG-CG2 3.97Å; L61-V65 WeakPolarHBondContact O-CB 3.33Å; L61-V65 VanDerWaalsContact O-CG2 3.29Å; L61-V65 WeakPolarHBondContact O-CG2 3.05Å; L61-V65 PolarHBondContact O-N 3.47Å; L61-I129 HydrophobicContact CD1-CG2 4.3Å; L61-I129 HydrophobicContact CD2-CG2 4.11Å; L61-M131 HydrophobicContact CB-CE 3.56Å; L61-M131 HydrophobicContact CB-SD 3.81Å; L61-M131 HydrophobicContact CD1-CE 3.54Å; L61-M131 HydrophobicContact CD2-CB 3.63Å; L61-M131 HydrophobicContact CD2-CE 3.76Å; L61-M131 HydrophobicContact CD2-CG 4.5Å; L61-M131 HydrophobicContact CD2-SD 4.11Å; L61-M131 HydrophobicContact CG-CE 3.77Å; L61-M131 HydrophobicContact CG-SD 4.41Å; L61-L194 HydrophobicContact CD1-CD1 4.04Å |
| 62 | Q | 85.7 | Confident | 83.6 | Confident | 1 Ų | 1 | 20.3 Ų | 20.3 | 1% | 0.005 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -65.9 | -35.9 | -173.6 | 74.5 | -165 | 9.2 | 0 | 0 | 112.2 | I50 T58 S59 L60 F66 I82 D83 L86 | I50-Q62 HydrophobicContact CD1-CB 3.86Å; T58-Q62 VanDerWaalsContact O-CB 3.28Å; T58-Q62 WeakPolarHBondContact O-CB 3.17Å; T58-Q62 VanDerWaalsContact O-CG 3.25Å; T58-Q62 WeakPolarHBondContact O-CG 3.45Å; T58-Q62 PolarHBondContact O-N 3.49Å; S59-Q62 VanDerWaalsContact O-CG 3.3Å; S59-Q62 WeakPolarHBondContact O-CG 3.39Å; L60-Q62 VanDerWaalsContact C-N 3.32Å; L60-Q62 PolarHBondContact O-N 2.81Å; Q62-F66 WeakPolarHBondContact O-CB 3.45Å; Q62-F66 PolarHBondContact O-N 2.87Å; Q62-I82 HydrophobicContact CG-CG2 3.6Å; Q62-D83 PolarHBondContact NE2-OD1 2.74Å; Q62-L86 HydrophobicContact CB-CD1 3.67Å; Q62-L86 HydrophobicContact CG-CD1 4.27Å |
| 63 | E | 85.1 | Confident | 81.7 | Confident | 23 Ų | 23 | 24.4 Ų | 24.4 | 11% | 0.107 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -67.4 | -43.7 | 173.2 | -64.4 | 168.5 | -177.4 | 0 | 0 | 111.5 | S59 L60 L61 F66 L67 I77 I82 L233 C237 | S59-E63 VanDerWaalsContact O-CG 3.32Å; S59-E63 WeakPolarHBondContact O-CG 3.45Å; L60-E63 PolarHBondContact O-N 3.2Å; L61-E63 VanDerWaalsContact C-N 3.31Å; L61-E63 PolarHBondContact O-N 2.69Å; E63-F66 PolarHBondContact O-N 3.22Å; E63-L67 VanDerWaalsContact O-CB 3.31Å; E63-L67 WeakPolarHBondContact O-CB 3.33Å; E63-L67 PolarHBondContact O-N 3.29Å; E63-I77 HydrophobicContact CB-CG2 4.23Å; E63-I77 HydrophobicContact CG-CG2 4.37Å; E63-I82 HydrophobicContact CB-CD1 4.35Å; E63-I82 HydrophobicContact CG-CB 4.5Å; E63-I82 HydrophobicContact CG-CD1 3.79Å; E63-I82 HydrophobicContact CG-CG2 3.87Å; E63-L233 HydrophobicContact CB-CD1 4.33Å; E63-L233 HydrophobicContact CB-CD2 3.47Å; E63-L233 VanDerWaalsContact CB-CD2 3.47Å; E63-L233 HydrophobicContact CB-CG 4.24Å; E63-L233 WeakPolarHBondContact OE2-CD1 3.43Å; E63-C237 PolarHBondContact OE2-SG 3Å |
| 64 | V | 88 | Confident | 79.8 | Confident | 3 Ų | 3 | 24.5 Ų | 24.5 | 2% | 0.018 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.5 | -46.6 | 175.8 | 170.1 | 0 | 0 | 0 | 0 | 111.1 | L60 L61 F66 L67 V68 L210 L233 | L60-V64 WeakPolarHBondContact O-CG2 3.2Å; L60-V64 PolarHBondContact O-N 3.15Å; L60-V64 VanDerWaalsContact O-N 3.11Å; L61-V64 PolarHBondContact O-N 3.26Å; V64-F66 VanDerWaalsContact C-N 3.33Å; V64-F66 PolarHBondContact O-N 3.29Å; V64-L67 PolarHBondContact O-N 2.93Å; V64-V68 HydrophobicContact CG1-CG2 4.41Å; V64-V68 WeakPolarHBondContact O-CB 3.41Å; V64-V68 VanDerWaalsContact O-CG2 3.26Å; V64-V68 WeakPolarHBondContact O-CG2 3.46Å; V64-V68 PolarHBondContact O-N 3.09Å; V64-L210 HydrophobicContact CG1-CD2 3.83Å; V64-L233 HydrophobicContact CG2-CD2 4.41Å |
| 65 | V | 90.3 | Very high | 78.1 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.8 | -42.3 | 177.2 | 173.5 | 0 | 0 | 0 | 0 | 110.8 | I48 I50 L61 V68 S69 L107 I129 L210 L214 | I48-V65 HydrophobicContact CG2-CG1 4.09Å; I50-V65 HydrophobicContact CD1-CB 3.83Å; I50-V65 HydrophobicContact CD1-CG1 3.88Å; I50-V65 HydrophobicContact CD1-CG2 4.07Å; I50-V65 HydrophobicContact CG1-CG1 4.34Å; I50-V65 HydrophobicContact CG1-CG2 4.49Å; L61-V65 HydrophobicContact CD1-CG2 3.53Å; L61-V65 HydrophobicContact CG-CG2 3.97Å; L61-V65 WeakPolarHBondContact O-CB 3.33Å; L61-V65 VanDerWaalsContact O-CG2 3.29Å; L61-V65 WeakPolarHBondContact O-CG2 3.05Å; L61-V65 PolarHBondContact O-N 3.47Å; V65-V68 PolarHBondContact O-N 2.95Å; V65-S69 WeakPolarHBondContact O-CB 3.11Å; V65-S69 PolarHBondContact O-N 2.99Å; V65-S69 PolarHBondContact O-OG 2.83Å; V65-L107 HydrophobicContact CG1-CD1 3.69Å; V65-L107 HydrophobicContact CG1-CD2 4.2Å; V65-L107 HydrophobicContact CG1-CG 4.45Å; V65-I129 HydrophobicContact CG1-CD1 3.87Å; V65-I129 HydrophobicContact CG2-CD1 3.74Å; V65-L210 HydrophobicContact CG2-CD1 4.17Å; V65-L210 HydrophobicContact CG2-CD2 3.98Å; V65-L214 HydrophobicContact CG1-CD1 4.41Å |
| 66 | F | 86.7 | Confident | 76.5 | Confident | 23 Ų | 23 | 32.7 Ų | 32.7 | 10% | 0.101 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.6 | -50.3 | 176.5 | -175.2 | -87.3 | 0 | 0 | 0 | 111 | Q62 E63 V64 V68 S69 Q70 A72 I77 M80 I82 L107 | Q62-F66 WeakPolarHBondContact O-CB 3.45Å; Q62-F66 PolarHBondContact O-N 2.87Å; E63-F66 PolarHBondContact O-N 3.22Å; V64-F66 VanDerWaalsContact C-N 3.33Å; V64-F66 PolarHBondContact O-N 3.29Å; F66-V68 PolarHBondContact O-N 3.41Å; F66-S69 PolarHBondContact O-N 3.27Å; F66-S69 PolarHBondContact O-OG 2.65Å; F66-Q70 PolarHBondContact O-N 3.45Å; F66-A72 HydrophobicContact CE1-CB 4.41Å; F66-I77 HydrophobicContact CD1-CD1 3.78Å; F66-I77 HydrophobicContact CD1-CG1 3.77Å; F66-I77 HydrophobicContact CD1-CG2 4.45Å; F66-I77 HydrophobicContact CE1-CD1 4.26Å; F66-I77 HydrophobicContact CE1-CG1 3.86Å; F66-M80 HydrophobicContact CE1-CE 4.24Å; F66-M80 HydrophobicContact CZ-CE 4.32Å; F66-I82 HydrophobicContact CB-CD1 4.18Å; F66-I82 HydrophobicContact CD1-CD1 4.48Å; F66-I82 HydrophobicContact CG-CD1 4.17Å; F66-L107 HydrophobicContact CB-CD2 4.19Å; F66-L107 HydrophobicContact CD2-CD2 4.25Å |
| 67 | L | 85.3 | Confident | 75.1 | Confident | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -56.3 | -51.2 | 178.4 | -161.7 | 160.2 | 0 | 0 | 0 | 111.3 | E63 V64 G71 A72 P74 I77 L226 N229 L233 | E63-L67 VanDerWaalsContact O-CB 3.31Å; E63-L67 WeakPolarHBondContact O-CB 3.33Å; E63-L67 PolarHBondContact O-N 3.29Å; V64-L67 PolarHBondContact O-N 2.93Å; L67-G71 WeakPolarHBondContact O-CA 3.06Å; L67-G71 PolarHBondContact O-N 3.49Å; L67-A72 PolarHBondContact O-N 2.8Å; L67-P74 HydrophobicContact CD1-CB 4.48Å; L67-P74 HydrophobicContact CD1-CG 4.26Å; L67-I77 HydrophobicContact CB-CD1 3.45Å; L67-I77 VanDerWaalsContact CB-CD1 3.45Å; L67-I77 HydrophobicContact CD1-CD1 3.83Å; L67-I77 HydrophobicContact CG-CD1 3.51Å; L67-L226 HydrophobicContact CD2-CD1 3.22Å; L67-L226 HydrophobicContact CD2-CG 4.42Å; L67-N229 HydrophobicContact CD1-CB 4.19Å; L67-N229 HydrophobicContact CD2-CB 4.14Å; L67-L233 HydrophobicContact CD1-CD2 4.03Å |
| 68 | V | 86.1 | Confident | 73.8 | Confident | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.006 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65 | -41.2 | 179.1 | 176.9 | 0 | 0 | 0 | 0 | 111.6 | V64 V65 F66 V207 L210 A211 L214 L226 | V64-V68 HydrophobicContact CG1-CG2 4.41Å; V64-V68 WeakPolarHBondContact O-CB 3.41Å; V64-V68 VanDerWaalsContact O-CG2 3.26Å; V64-V68 WeakPolarHBondContact O-CG2 3.46Å; V64-V68 PolarHBondContact O-N 3.09Å; V65-V68 PolarHBondContact O-N 2.95Å; F66-V68 PolarHBondContact O-N 3.41Å; V68-V207 HydrophobicContact CG2-CG1 4.24Å; V68-L210 HydrophobicContact CB-CD2 4.22Å; V68-L210 HydrophobicContact CB-CG 4.43Å; V68-L210 HydrophobicContact CG1-CD2 4.5Å; V68-L210 HydrophobicContact CG1-CG 4.19Å; V68-L210 HydrophobicContact CG2-CD2 3.97Å; V68-L210 HydrophobicContact CG2-CG 4.49Å; V68-A211 HydrophobicContact CG1-CB 3.96Å; V68-L214 HydrophobicContact CB-CD1 4.37Å; V68-L214 HydrophobicContact CG1-CD1 3.95Å; V68-L226 HydrophobicContact CG1-CD2 4.2Å; V68-L226 HydrophobicContact CG2-CD1 4.11Å; V68-L226 HydrophobicContact CG2-CD2 4Å; V68-L226 HydrophobicContact CG2-CG 4.16Å |
| 69 | S | 82.6 | Confident | 72.3 | Confident | 37 Ų | 37 | 41 Ų | 41 | 26% | 0.259 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -70.7 | -33.5 | -175.7 | 69.8 | 0 | 0 | 0 | 0 | 114 | V65 F66 | V65-S69 WeakPolarHBondContact O-CB 3.11Å; V65-S69 PolarHBondContact O-N 2.99Å; V65-S69 PolarHBondContact O-OG 2.83Å; F66-S69 PolarHBondContact O-N 3.27Å; F66-S69 PolarHBondContact O-OG 2.65Å |
| 70 | Q | 72.9 | Confident | 70.9 | Confident | 122 Ų | 122 | 42.3 Ų | 42.3 | 57% | 0.57 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -100.7 | -10.8 | -176 | -61.3 | -141.4 | 49.7 | 0 | 0 | 113.3 | F66 A72 | F66-Q70 PolarHBondContact O-N 3.45Å; Q70-A72 HydrophobicContact CB-CB 3.93Å; Q70-A72 PolarHBondContact O-N 3.13Å |
| 71 | G | 63.4 | Low | 69.6 | Low | 64 Ų | 64 | 46.2 Ų | 46.2 | 66% | 0.66 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.8 | 29 | -168.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L67 | L67-G71 WeakPolarHBondContact O-CA 3.06Å; L67-G71 PolarHBondContact O-N 3.49Å |
| 72 | A | 58.2 | Low | 68.2 | Low | 17 Ų | 17 | 46.4 Ų | 46.4 | 14% | 0.14 | 27% | 0.267 | C | S | . | . | trans | -76.6 | 155.7 | -171.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | F66 L67 Q70 I77 | F66-A72 HydrophobicContact CE1-CB 4.41Å; L67-A72 PolarHBondContact O-N 2.8Å; Q70-A72 HydrophobicContact CB-CB 3.93Å; Q70-A72 PolarHBondContact O-N 3.13Å; A72-I77 HydrophobicContact CB-CD1 4.07Å; A72-I77 HydrophobicContact CB-CG1 4.38Å | ||
| 73 | D | 57.5 | Low | 66.5 | Low | 85 Ų | 85 | 50.6 Ų | 50.6 | 46% | 0.455 | 29% | 0.29 | S | S | . | . | trans | -70 | 130.1 | 174.7 | -167.9 | -39.2 | 0 | 0 | 0 | 110 | D75 E76 I77 | D73-D75 PolarHBondContact O-N 2.81Å; D73-D75 PolarHBondContact OD1-N 3.37Å; D73-E76 HydrophobicContact CB-CG 4.2Å; D73-E76 PolarHBondContact O-N 2.71Å; D73-E76 VanDerWaalsContact O-N 3.09Å; D73-I77 PolarHBondContact O-N 3.09Å | ||
| 74 | P | 57.4 | Low | 65.2 | Low | 5 Ų | 5 | 57.1 Ų | 57.1 | 3% | 0.032 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -51.7 | -35.2 | 175.9 | -25.6 | 32 | 0 | 0 | 0 | 114.3 | L67 E76 I77 G78 N229 | L67-P74 HydrophobicContact CD1-CB 4.48Å; L67-P74 HydrophobicContact CD1-CG 4.26Å; P74-E76 VanDerWaalsContact C-N 3.27Å; P74-E76 PolarHBondContact O-N 3.04Å; P74-I77 PolarHBondContact O-N 2.95Å; P74-I77 VanDerWaalsContact O-N 3.13Å; P74-G78 PolarHBondContact O-N 2.89Å; P74-N229 WeakPolarHBondContact CD-ND2 3.49Å; P74-N229 HydrophobicContact CG-CB 3.41Å; P74-N229 VanDerWaalsContact CG-CB 3.41Å; P74-N229 WeakPolarHBondContact CG-ND2 3.49Å; P74-N229 WeakPolarHBondContact CG-OD1 3.48Å |
| 75 | D | 57 | Low | 64.1 | Low | 105 Ų | 105 | 61 Ų | 61 | 56% | 0.561 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -70.7 | -25.6 | -176.8 | -73.4 | -23.4 | 0 | 0 | 0 | 111.8 | D73 L79 | D73-D75 PolarHBondContact O-N 2.81Å; D73-D75 PolarHBondContact OD1-N 3.37Å; D75-L79 WeakPolarHBondContact O-CD1 3.28Å |
| 76 | E | 55.1 | Low | 63.8 | Low | 124 Ų | 124 | 61.7 Ų | 61.7 | 58% | 0.579 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -74.7 | -31.8 | 172 | -67 | -174 | 167.4 | 0 | 0 | 111.4 | D73 P74 M80 | D73-E76 HydrophobicContact CB-CG 4.2Å; D73-E76 PolarHBondContact O-N 2.71Å; D73-E76 VanDerWaalsContact O-N 3.09Å; P74-E76 VanDerWaalsContact C-N 3.27Å; P74-E76 PolarHBondContact O-N 3.04Å; E76-M80 HydrophobicContact CB-CE 4.36Å; E76-M80 WeakPolarHBondContact O-CE 3.41Å; E76-M80 WeakPolarHBondContact O-CG 3.42Å |
| 77 | I | 58.2 | Low | 64 | Low | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -80.5 | -44.7 | -175.7 | -58.6 | 170.2 | 0 | 0 | 0 | 111.7 | E63 F66 L67 A72 D73 P74 L79 M80 I82 L233 | E63-I77 HydrophobicContact CB-CG2 4.23Å; E63-I77 HydrophobicContact CG-CG2 4.37Å; F66-I77 HydrophobicContact CD1-CD1 3.78Å; F66-I77 HydrophobicContact CD1-CG1 3.77Å; F66-I77 HydrophobicContact CD1-CG2 4.45Å; F66-I77 HydrophobicContact CE1-CD1 4.26Å; F66-I77 HydrophobicContact CE1-CG1 3.86Å; L67-I77 HydrophobicContact CB-CD1 3.45Å; L67-I77 VanDerWaalsContact CB-CD1 3.45Å; L67-I77 HydrophobicContact CD1-CD1 3.83Å; L67-I77 HydrophobicContact CG-CD1 3.51Å; A72-I77 HydrophobicContact CB-CD1 4.07Å; A72-I77 HydrophobicContact CB-CG1 4.38Å; D73-I77 PolarHBondContact O-N 3.09Å; P74-I77 PolarHBondContact O-N 2.95Å; P74-I77 VanDerWaalsContact O-N 3.13Å; I77-L79 PolarHBondContact O-N 2.93Å; I77-M80 PolarHBondContact O-N 2.93Å; I77-I82 HydrophobicContact CG2-CD1 3.99Å; I77-L233 HydrophobicContact CG2-CD1 4.31Å |
| 78 | G | 52.1 | Low | 64.4 | Low | 43 Ų | 43 | 61.4 Ų | 61.4 | 44% | 0.443 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -15.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | P74 | P74-G78 PolarHBondContact O-N 2.89Š|
| 79 | L | 48.5 | Very low | 64.9 | Low | 156 Ų | 156 | 61.3 Ų | 61.3 | 82% | 0.817 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | -12.6 | 175.7 | -69.2 | 171.1 | 0 | 0 | 0 | 113.6 | D75 I77 | D75-L79 WeakPolarHBondContact O-CD1 3.28Å; I77-L79 PolarHBondContact O-N 2.93Å |
| 80 | M | 50.8 | Low | 65.5 | Low | 62 Ų | 62 | 59.6 Ų | 59.6 | 31% | 0.305 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -92.3 | 128.8 | -174.9 | -70.5 | -166.4 | -99.4 | 0 | 0 | 110.7 | F66 E76 I77 I82 Q85 | F66-M80 HydrophobicContact CE1-CE 4.24Å; F66-M80 HydrophobicContact CZ-CE 4.32Å; E76-M80 HydrophobicContact CB-CE 4.36Å; E76-M80 WeakPolarHBondContact O-CE 3.41Å; E76-M80 WeakPolarHBondContact O-CG 3.42Å; I77-M80 PolarHBondContact O-N 2.93Å; M80-I82 PolarHBondContact O-N 3.27Å; M80-Q85 PolarHBondContact SD-NE2 3.23Å |
| 81 | N | 55.2 | Low | 66.4 | Low | 97 Ų | 97 | 57.6 Ų | 57.6 | 52% | 0.519 | 32% | 0.317 | S | S | . | . | trans | -73.4 | 75.6 | 170.3 | -163 | 10.6 | 0 | 0 | 0 | 108.5 | D83 E84 | N81-D83 PolarHBondContact O-N 2.92Å; N81-D83 VanDerWaalsContact O-N 3.1Å; N81-E84 VanDerWaalsContact ND2-CD 3.27Å; N81-E84 PolarHBondContact ND2-OE2 2.83Å; N81-E84 VanDerWaalsContact ND2-OE2 3.16Å; N81-E84 WeakPolarHBondContact O-CB 3.49Å; N81-E84 PolarHBondContact O-N 2.91Å | ||
| 82 | I | 55.8 | Low | 67.6 | Low | 5 Ų | 5 | 58 Ų | 58 | 3% | 0.026 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | -65.9 | -20.7 | -163.7 | -134.9 | 170 | 0 | 0 | 0 | 112.4 | Q62 E63 F66 I77 M80 E84 Q85 L86 | Q62-I82 HydrophobicContact CG-CG2 3.6Å; E63-I82 HydrophobicContact CB-CD1 4.35Å; E63-I82 HydrophobicContact CG-CB 4.5Å; E63-I82 HydrophobicContact CG-CD1 3.79Å; E63-I82 HydrophobicContact CG-CG2 3.87Å; F66-I82 HydrophobicContact CB-CD1 4.18Å; F66-I82 HydrophobicContact CD1-CD1 4.48Å; F66-I82 HydrophobicContact CG-CD1 4.17Å; I77-I82 HydrophobicContact CG2-CD1 3.99Å; M80-I82 PolarHBondContact O-N 3.27Å; I82-E84 PolarHBondContact O-N 2.93Å; I82-Q85 HydrophobicContact CG1-CB 4.45Å; I82-Q85 PolarHBondContact O-N 3.41Å; I82-L86 PolarHBondContact O-N 3.45Å |
| 83 | D | 50.8 | Low | 69.1 | Low | 89 Ų | 89 | 64.5 Ų | 64.5 | 48% | 0.476 | 34% | 0.335 | S | S | . | . | G | 310 helix | trans | -62.6 | -23.1 | 170.6 | -86 | -21.9 | 0 | 0 | 0 | 112.8 | Q62 N81 K109 | Q62-D83 PolarHBondContact NE2-OD1 2.74Å; N81-D83 PolarHBondContact O-N 2.92Å; N81-D83 VanDerWaalsContact O-N 3.1Å; D83-K109 IonicContact OD1-NZ 2.8Å |
| 84 | E | 56.5 | Low | 70.7 | Confident | 160 Ų | 160 | 62.7 Ų | 62.7 | 75% | 0.748 | 33% | 0.329 | S | S | * | . | G | 310 helix | trans | -85.2 | -14.5 | 170.5 | -66.8 | -179.7 | 148.9 | 0 | 0 | 112.9 | N81 I82 | N81-E84 VanDerWaalsContact ND2-CD 3.27Å; N81-E84 PolarHBondContact ND2-OE2 2.83Å; N81-E84 VanDerWaalsContact ND2-OE2 3.16Å; N81-E84 WeakPolarHBondContact O-CB 3.49Å; N81-E84 PolarHBondContact O-N 2.91Å; I82-E84 PolarHBondContact O-N 2.93Å |
| 85 | Q | 66.4 | Low | 72.3 | Confident | 85 Ų | 85 | 63.1 Ų | 63.1 | 40% | 0.397 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97 | -33.1 | -171.9 | -65.9 | -171.5 | -18.6 | 0 | 0 | 113.8 | M80 I82 P87 | M80-Q85 PolarHBondContact SD-NE2 3.23Å; I82-Q85 HydrophobicContact CG1-CB 4.45Å; I82-Q85 PolarHBondContact O-N 3.41Å; Q85-P87 WeakPolarHBondContact O-CD 3.32Å |
| 86 | L | 82.9 | Confident | 74 | Confident | 14 Ų | 14 | 59.5 Ų | 59.5 | 7% | 0.073 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -96.3 | 115 | -179.4 | -60.1 | -166.4 | 0 | 0 | 0 | 112 | I50 Q62 I82 V88 L107 | I50-L86 HydrophobicContact CD1-CD1 4.27Å; Q62-L86 HydrophobicContact CB-CD1 3.67Å; Q62-L86 HydrophobicContact CG-CD1 4.27Å; I82-L86 PolarHBondContact O-N 3.45Å; L86-V88 PolarHBondContact O-N 2.84Å; L86-L107 HydrophobicContact CD1-CD2 3.61Å; L86-L107 HydrophobicContact CD1-CG 4.1Å; L86-L107 HydrophobicContact CD2-CB 3.76Å; L86-L107 HydrophobicContact CD2-CD2 3.87Å; L86-L107 HydrophobicContact CD2-CG 4.2Å; L86-L107 HydrophobicContact CG-CD2 4.39Å |
| 87 | P | 91.6 | Very high | 75.9 | Confident | 9 Ų | 9 | 60.2 Ų | 60.2 | 6% | 0.058 | 32% | 0.322 | C | S | . | . | trans | -66.3 | 136 | 178.6 | 29.1 | -36.2 | 0 | 0 | 0 | 111 | Q85 P94 I99 L102 K109 | Q85-P87 WeakPolarHBondContact O-CD 3.32Å; P87-P94 HydrophobicContact CB-CG 3.75Å; P87-I99 HydrophobicContact CB-CD1 3.64Å; P87-I99 HydrophobicContact CB-CG1 3.52Å; P87-I99 HydrophobicContact CB-CG2 4.48Å; P87-I99 HydrophobicContact CG-CD1 4.38Å; P87-I99 HydrophobicContact CG-CG1 4Å; P87-I99 HydrophobicContact CG-CG2 4.11Å; P87-L102 HydrophobicContact CG-CD1 3.83Å; P87-K109 PolarHBondContact O-N 2.84Å | ||
| 88 | V | 93.8 | Very high | 77.7 | Confident | 9 Ų | 9 | 63.8 Ų | 63.8 | 6% | 0.055 | 34% | 0.344 | C | S | . | . | B | Isolated β-bridge | trans | -91.6 | 119.7 | 166.2 | 179.7 | 0 | 0 | 0 | 0 | 107.9 | L86 E90 Y91 K109 | L86-V88 PolarHBondContact O-N 2.84Å; V88-E90 HydrophobicContact CG1-CG 4.11Å; V88-E90 WeakPolarHBondContact CG1-OE2 3.47Å; V88-E90 PolarHBondContact O-N 3.25Å; V88-E90 VanDerWaalsContact O-N 3.16Å; V88-Y91 HydrophobicContact CB-CD1 3.91Å; V88-Y91 HydrophobicContact CB-CD2 3.88Å; V88-Y91 HydrophobicContact CB-CE1 4.37Å; V88-Y91 HydrophobicContact CB-CE2 4.34Å; V88-Y91 HydrophobicContact CB-CG 3.65Å; V88-Y91 HydrophobicContact CG1-CD1 3.44Å; V88-Y91 VanDerWaalsContact CG1-CD1 3.44Å; V88-Y91 HydrophobicContact CG1-CD2 4.28Å; V88-Y91 HydrophobicContact CG1-CE1 3.73Å; V88-Y91 HydrophobicContact CG1-CG 3.75Å; V88-Y91 HydrophobicContact CG2-CD2 4.11Å; V88-Y91 HydrophobicContact CG2-CE2 4.18Å; V88-Y91 HydrophobicContact CG2-CG 4.36Å; V88-Y91 PolarHBondContact O-N 2.83Å; V88-Y91 VanDerWaalsContact O-N 3.08Å; V88-K109 WeakPolarHBondContact CA-O 3.27Å; V88-K109 HydrophobicContact CG2-CB 4.02Å; V88-K109 HydrophobicContact CG2-CD 4.18Å; V88-K109 HydrophobicContact CG2-CG 4.06Å |
| 89 | I | 95.9 | Very high | 79.7 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -37.6 | -169.7 | -166.7 | 72.5 | 0 | 0 | 0 | 112.5 | I38 F41 W49 L96 I99 I108 K109 L112 | I38-I89 HydrophobicContact CG1-CG1 4.35Å; F41-I89 HydrophobicContact CD1-CD1 4.21Å; F41-I89 HydrophobicContact CD2-CD1 3.8Å; F41-I89 HydrophobicContact CE1-CD1 4.13Å; F41-I89 HydrophobicContact CE2-CD1 3.71Å; F41-I89 HydrophobicContact CG-CD1 4.05Å; F41-I89 HydrophobicContact CZ-CD1 3.89Å; W49-I89 HydrophobicContact CH2-CB 4.04Å; W49-I89 HydrophobicContact CH2-CD1 3.89Å; W49-I89 HydrophobicContact CH2-CG1 3.81Å; W49-I89 HydrophobicContact CH2-CG2 4.29Å; W49-I89 HydrophobicContact CZ3-CB 3.99Å; W49-I89 HydrophobicContact CZ3-CG1 4.23Å; W49-I89 HydrophobicContact CZ3-CG2 3.84Å; I89-L96 HydrophobicContact CD1-CD2 3.41Å; I89-L96 VanDerWaalsContact CD1-CD2 3.41Å; I89-L96 HydrophobicContact CG1-CD2 3.58Å; I89-L96 WeakPolarHBondContact O-CD2 3.26Å; I89-I99 HydrophobicContact CD1-CD1 3.95Å; I89-I99 HydrophobicContact CD1-CG2 4.26Å; I89-I108 HydrophobicContact CB-CG2 4.09Å; I89-I108 HydrophobicContact CD1-CG2 4.36Å; I89-K109 PolarHBondContact N-O 2.74Å; I89-L112 HydrophobicContact CG2-CD1 4.5Å |
| 90 | E | 95.1 | Very high | 81.9 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | -10 | -175.6 | 69.8 | -86.1 | -155.2 | 0 | 0 | 113.8 | F30 K34 I38 V88 H111 L112 Y172 | F30-E90 WeakPolarHBondContact CD2-O 3.28Å; F30-E90 HydrophobicContact CE2-CG 4.02Å; K34-E90 PolarHBondContact NZ-O 3.15Å; I38-E90 HydrophobicContact CD1-CB 3.96Å; V88-E90 HydrophobicContact CG1-CG 4.11Å; V88-E90 WeakPolarHBondContact CG1-OE2 3.47Å; V88-E90 PolarHBondContact O-N 3.25Å; V88-E90 VanDerWaalsContact O-N 3.16Å; E90-H111 WeakPolarHBondContact OE1-CB 3.23Å; E90-H111 IonicContact OE1-CD2 3.49Å; E90-H111 PolarHBondContact OE1-N 3.49Å; E90-L112 HydrophobicContact CB-CD1 4.42Å; E90-Y172 HydrophobicContact CG-CE1 4.27Å; E90-Y172 WeakPolarHBondContact OE1-CE1 3.46Å; E90-Y172 PolarHBondContact OE1-OH 3.4Å |
| 91 | Y | 92.5 | Very high | 84 | Confident | 81 Ų | 81 | 61.2 Ų | 61.2 | 32% | 0.318 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -73.5 | 155.2 | -177.5 | -82.6 | 19.1 | 0 | 0 | 0 | 112.3 | F30 K34 V88 Q93 | F30-Y91 HydrophobicContact CD2-CD1 4.47Å; F30-Y91 HydrophobicContact CE1-CE1 4.43Å; F30-Y91 AromaticContact CE2-CD1 3.62Å; F30-Y91 HydrophobicContact CE2-CD1 3.62Å; F30-Y91 AromaticContact CE2-CE1 3.9Å; F30-Y91 HydrophobicContact CE2-CE1 3.9Å; F30-Y91 AromaticContact CZ-CD1 3.64Å; F30-Y91 HydrophobicContact CZ-CD1 3.64Å; F30-Y91 AromaticContact CZ-CE1 3.51Å; F30-Y91 HydrophobicContact CZ-CE1 3.51Å; K34-Y91 PolarHBondContact NZ-O 3.27Å; V88-Y91 HydrophobicContact CB-CD1 3.91Å; V88-Y91 HydrophobicContact CB-CD2 3.88Å; V88-Y91 HydrophobicContact CB-CE1 4.37Å; V88-Y91 HydrophobicContact CB-CE2 4.34Å; V88-Y91 HydrophobicContact CB-CG 3.65Å; V88-Y91 HydrophobicContact CG1-CD1 3.44Å; V88-Y91 VanDerWaalsContact CG1-CD1 3.44Å; V88-Y91 HydrophobicContact CG1-CD2 4.28Å; V88-Y91 HydrophobicContact CG1-CE1 3.73Å; V88-Y91 HydrophobicContact CG1-CG 3.75Å; V88-Y91 HydrophobicContact CG2-CD2 4.11Å; V88-Y91 HydrophobicContact CG2-CE2 4.18Å; V88-Y91 HydrophobicContact CG2-CG 4.36Å; V88-Y91 PolarHBondContact O-N 2.83Å; V88-Y91 VanDerWaalsContact O-N 3.08Å; Y91-Q93 PolarHBondContact O-N 3.05Å |
| 92 | P | 88.7 | Confident | 85.7 | Confident | 72 Ų | 72 | 59.8 Ų | 59.8 | 47% | 0.468 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -62.2 | -30.3 | 176.2 | -23.4 | 33.2 | 0 | 0 | 0 | 114 | F30 | F30-P92 HydrophobicContact CB-CG 3.73Å; F30-P92 HydrophobicContact CD1-CG 4.5Å; F30-P92 HydrophobicContact CG-CG 4.17Å |
| 93 | Q | 89.3 | Confident | 87.4 | Confident | 153 Ų | 153 | 65.5 Ų | 65.5 | 72% | 0.715 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -128 | 139.7 | -179.9 | -64.7 | -62.1 | -46.5 | 0 | 0 | 108.8 | Y91 G95 | Y91-Q93 PolarHBondContact O-N 3.05Å; Q93-G95 VanDerWaalsContact C-N 3.28Å |
| 94 | P | 90.6 | Very high | 89.3 | Confident | 48 Ų | 48 | 63.9 Ų | 63.9 | 31% | 0.312 | 34% | 0.338 | S | S | . | . | S | Bend | cis | -76.4 | -8.7 | 0.7 | 33.3 | -36.3 | 0 | 0 | 0 | 113.9 | P87 V98 I99 | P87-P94 HydrophobicContact CB-CG 3.75Å; P94-V98 HydrophobicContact CB-CB 3.94Å; P94-V98 HydrophobicContact CB-CG1 3.8Å; P94-V98 HydrophobicContact CB-CG2 4.47Å; P94-V98 HydrophobicContact CG-CG1 4.42Å; P94-V98 VanDerWaalsContact O-CG2 3.27Å; P94-V98 WeakPolarHBondContact O-CG2 3.13Å; P94-I99 HydrophobicContact CG-CD1 4.46Å; P94-I99 HydrophobicContact CG-CG1 3.95Å |
| 95 | G | 90.9 | Very high | 90.8 | Very high | 14 Ų | 14 | 60.6 Ų | 60.6 | 14% | 0.144 | 33% | 0.331 | C | S | . | . | trans | 89.4 | 158.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q93 D97 V98 I99 | Q93-G95 VanDerWaalsContact C-N 3.28Å; G95-D97 PolarHBondContact O-N 2.77Å; G95-V98 PolarHBondContact O-N 3.26Å; G95-I99 VanDerWaalsContact O-CG1 3.26Å; G95-I99 WeakPolarHBondContact O-CG1 3.5Å; G95-I99 PolarHBondContact O-N 3.26Å; G95-I99 VanDerWaalsContact O-N 3.16Å | ||
| 96 | L | 94.4 | Very high | 92.1 | Very high | 29 Ų | 29 | 56.8 Ų | 56.8 | 15% | 0.152 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -57.8 | -44.8 | -170 | -65.1 | 175.2 | 0 | 0 | 0 | 113.3 | K34 D37 I38 F41 I89 V98 I99 Q100 | K34-L96 HydrophobicContact CB-CD1 4.48Å; D37-L96 HydrophobicContact CB-CD1 3.43Å; D37-L96 VanDerWaalsContact CB-CD1 3.43Å; I38-L96 HydrophobicContact CG1-CD1 4.23Å; I38-L96 HydrophobicContact CG1-CD2 4.04Å; F41-L96 HydrophobicContact CD2-CD2 4.14Å; F41-L96 HydrophobicContact CE2-CD2 4.46Å; I89-L96 HydrophobicContact CD1-CD2 3.41Å; I89-L96 VanDerWaalsContact CD1-CD2 3.41Å; I89-L96 HydrophobicContact CG1-CD2 3.58Å; I89-L96 WeakPolarHBondContact O-CD2 3.26Å; L96-V98 VanDerWaalsContact C-N 3.33Å; L96-V98 PolarHBondContact O-N 3.32Å; L96-I99 PolarHBondContact O-N 3.02Å; L96-Q100 WeakPolarHBondContact O-CB 3.1Å; L96-Q100 PolarHBondContact O-N 3.1Å |
| 97 | D | 94.4 | Very high | 92.5 | Very high | 138 Ų | 138 | 57 Ų | 57 | 74% | 0.738 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -60.4 | -42.7 | -179.1 | -60.5 | -29.4 | 0 | 0 | 0 | 111.8 | G95 I99 Q100 E101 | G95-D97 PolarHBondContact O-N 2.77Å; D97-I99 PolarHBondContact O-N 2.89Å; D97-Q100 WeakPolarHBondContact O-CB 3.3Å; D97-Q100 PolarHBondContact O-N 3.32Å; D97-E101 WeakPolarHBondContact O-CG 3.41Å; D97-E101 PolarHBondContact O-N 3.44Å; D97-E101 VanDerWaalsContact O-N 3.14Å |
| 98 | V | 94.6 | Very high | 92.7 | Very high | 75 Ų | 75 | 56.6 Ų | 56.6 | 46% | 0.455 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -66.4 | -41.4 | 178.5 | -179.2 | 0 | 0 | 0 | 0 | 110.8 | P94 G95 L96 Q100 E101 L102 | P94-V98 HydrophobicContact CB-CB 3.94Å; P94-V98 HydrophobicContact CB-CG1 3.8Å; P94-V98 HydrophobicContact CB-CG2 4.47Å; P94-V98 HydrophobicContact CG-CG1 4.42Å; P94-V98 VanDerWaalsContact O-CG2 3.27Å; P94-V98 WeakPolarHBondContact O-CG2 3.13Å; G95-V98 PolarHBondContact O-N 3.26Å; L96-V98 VanDerWaalsContact C-N 3.33Å; L96-V98 PolarHBondContact O-N 3.32Å; V98-Q100 PolarHBondContact O-N 3.38Å; V98-E101 PolarHBondContact O-N 3.23Å; V98-L102 WeakPolarHBondContact O-CG 3.47Å; V98-L102 PolarHBondContact O-N 3.47Å |
| 99 | I | 94.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.5 | -33.8 | 176.7 | -56.2 | 167.4 | 0 | 0 | 0 | 110.5 | F41 P87 I89 P94 G95 L96 D97 E101 L102 R106 I108 | F41-I99 HydrophobicContact CE2-CB 4.37Å; F41-I99 HydrophobicContact CE2-CG2 4.31Å; F41-I99 HydrophobicContact CZ-CB 4.25Å; F41-I99 HydrophobicContact CZ-CG2 3.74Å; P87-I99 HydrophobicContact CB-CD1 3.64Å; P87-I99 HydrophobicContact CB-CG1 3.52Å; P87-I99 HydrophobicContact CB-CG2 4.48Å; P87-I99 HydrophobicContact CG-CD1 4.38Å; P87-I99 HydrophobicContact CG-CG1 4Å; P87-I99 HydrophobicContact CG-CG2 4.11Å; I89-I99 HydrophobicContact CD1-CD1 3.95Å; I89-I99 HydrophobicContact CD1-CG2 4.26Å; P94-I99 HydrophobicContact CG-CD1 4.46Å; P94-I99 HydrophobicContact CG-CG1 3.95Å; G95-I99 VanDerWaalsContact O-CG1 3.26Å; G95-I99 WeakPolarHBondContact O-CG1 3.5Å; G95-I99 PolarHBondContact O-N 3.26Å; G95-I99 VanDerWaalsContact O-N 3.16Å; L96-I99 PolarHBondContact O-N 3.02Å; D97-I99 PolarHBondContact O-N 2.89Å; I99-E101 VanDerWaalsContact C-N 3.31Å; I99-E101 PolarHBondContact O-N 2.89Å; I99-L102 HydrophobicContact CG2-CD1 4.4Å; I99-L102 PolarHBondContact O-N 3.42Å; I99-R106 WeakPolarHBondContact O-CD 3.32Å; I99-R106 PolarHBondContact O-NH1 3.05Å; I99-R106 VanDerWaalsContact O-NH1 3.13Å; I99-I108 HydrophobicContact CG2-CD1 3.81Å; I99-I108 HydrophobicContact CG2-CG1 4.02Å |
| 100 | Q | 94.9 | Very high | 92.8 | Very high | 51 Ų | 51 | 56.8 Ų | 56.8 | 24% | 0.238 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -65.4 | -35.1 | 176.4 | -168.7 | 56.8 | 36.6 | 0 | 0 | 112.2 | F41 S42 R44 L96 D97 V98 | F41-Q100 HydrophobicContact CE2-CB 4.34Å; S42-Q100 PolarHBondContact O-OE1 3.44Å; R44-Q100 PolarHBondContact NH2-O 2.91Å; L96-Q100 WeakPolarHBondContact O-CB 3.1Å; L96-Q100 PolarHBondContact O-N 3.1Å; D97-Q100 WeakPolarHBondContact O-CB 3.3Å; D97-Q100 PolarHBondContact O-N 3.32Å; V98-Q100 PolarHBondContact O-N 3.38Å |
| 101 | E | 94.7 | Very high | 92.9 | Very high | 157 Ų | 157 | 57.3 Ų | 57.3 | 73% | 0.734 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -86.6 | -9.2 | -179.3 | -64.9 | -55.8 | 131.3 | 0 | 0 | 114.5 | D97 V98 I99 | D97-E101 WeakPolarHBondContact O-CG 3.41Å; D97-E101 PolarHBondContact O-N 3.44Å; D97-E101 VanDerWaalsContact O-N 3.14Å; V98-E101 PolarHBondContact O-N 3.23Å; I99-E101 VanDerWaalsContact C-N 3.31Å; I99-E101 PolarHBondContact O-N 2.89Å |
| 102 | L | 91.9 | Very high | 93.2 | Very high | 66 Ų | 66 | 53.5 Ų | 53.5 | 35% | 0.346 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -57.1 | 144.2 | 176.8 | -69.2 | 178.5 | 0 | 0 | 0 | 111.6 | R44 P87 V98 I99 R106 | R44-L102 PolarHBondContact NH1-O 2.91Å; R44-L102 PolarHBondContact NH2-O 3.49Å; P87-L102 HydrophobicContact CG-CD1 3.83Å; V98-L102 WeakPolarHBondContact O-CG 3.47Å; V98-L102 PolarHBondContact O-N 3.47Å; I99-L102 HydrophobicContact CG2-CD1 4.4Å; I99-L102 PolarHBondContact O-N 3.42Å; L102-R106 HydrophobicContact CB-CG 4.14Å |
| 103 | T | 90.8 | Very high | 93.6 | Very high | 125 Ų | 125 | 50.2 Ų | 50.2 | 77% | 0.767 | 28% | 0.278 | S | S | * | . | P | Polyproline II helix | trans | -69 | 143.4 | 174.6 | 50.4 | 0 | 0 | 0 | 0 | 111.1 | ||
| 104 | S | 89.8 | Confident | 94 | Very high | 56 Ų | 56 | 43.2 Ų | 43.2 | 39% | 0.392 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -74.6 | 153.8 | 173.4 | -79.5 | 0 | 0 | 0 | 0 | 112.2 | R44 S46 | R44-S104 WeakPolarHBondContact CD-OG 3.46Å; R44-S104 PolarHBondContact NH1-OG 3.01Å; S46-S104 PolarHBondContact OG-OG 3.35Å |
| 105 | P | 89.6 | Confident | 94.4 | Very high | 91 Ų | 91 | 45.7 Ų | 45.7 | 59% | 0.591 | 25% | 0.248 | S | C | * | . | S | Bend | cis | -71.8 | 139.6 | -6.8 | 30.4 | -34.2 | 0 | 0 | 0 | 111.8 | S46 | S46-P105 WeakPolarHBondContact O-CB 3.45Š|
| 106 | R | 91.8 | Very high | 94.7 | Very high | 4 Ų | 4 | 45.6 Ų | 45.6 | 2% | 0.015 | 24% | 0.244 | C | C | . | . | P | Polyproline II helix | trans | -93.6 | 129.9 | 177.9 | -56.2 | -177 | -68 | -176.3 | 0.3 | 109.5 | S42 D47 I48 I99 L102 I108 | S42-R106 PolarHBondContact O-NH2 3.22Å; D47-R106 WeakPolarHBondContact OD1-CB 3.46Å; D47-R106 IonicContact OD1-CZ 3.5Å; D47-R106 IonicContact OD1-NE 3.45Å; D47-R106 PolarHBondContact OD1-NE 3.38Å; D47-R106 IonicContact OD1-NH2 3.54Å; D47-R106 PolarHBondContact OD1-NH2 3.23Å; D47-R106 IonicContact OD2-CZ 2.73Å; D47-R106 IonicContact OD2-NE 2.65Å; D47-R106 PolarHBondContact OD2-NE 2.89Å; D47-R106 IonicContact OD2-NH2 3.45Å; D47-R106 PolarHBondContact OD2-NH2 3.14Å; I48-R106 PolarHBondContact N-O 3.27Å; I99-R106 WeakPolarHBondContact O-CD 3.32Å; I99-R106 PolarHBondContact O-NH1 3.05Å; I99-R106 VanDerWaalsContact O-NH1 3.13Å; L102-R106 HydrophobicContact CB-CG 4.14Å; R106-I108 HydrophobicContact CB-CD1 4.03Å; R106-I108 HydrophobicContact CB-CG1 4.02Å |
| 107 | L | 92.4 | Very high | 94.9 | Very high | 20 Ų | 20 | 44.3 Ų | 44.3 | 11% | 0.105 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 107 | 171.2 | -152 | 73.7 | 0 | 0 | 0 | 107.5 | I48 I50 V65 F66 L86 | I48-L107 HydrophobicContact CB-CD1 3.51Å; I48-L107 HydrophobicContact CD1-CD1 3.91Å; I48-L107 HydrophobicContact CG1-CD1 4.32Å; I48-L107 HydrophobicContact CG2-CD1 3.59Å; I48-L107 WeakPolarHBondContact O-CA 3.41Å; I50-L107 HydrophobicContact CD1-CD2 4.18Å; I50-L107 HydrophobicContact CD1-CG 4.2Å; V65-L107 HydrophobicContact CG1-CD1 3.69Å; V65-L107 HydrophobicContact CG1-CD2 4.2Å; V65-L107 HydrophobicContact CG1-CG 4.45Å; F66-L107 HydrophobicContact CB-CD2 4.19Å; F66-L107 HydrophobicContact CD2-CD2 4.25Å; L86-L107 HydrophobicContact CD1-CD2 3.61Å; L86-L107 HydrophobicContact CD1-CG 4.1Å; L86-L107 HydrophobicContact CD2-CB 3.76Å; L86-L107 HydrophobicContact CD2-CD2 3.87Å; L86-L107 HydrophobicContact CD2-CG 4.2Å; L86-L107 HydrophobicContact CG-CD2 4.39Å |
| 108 | I | 94.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 137.5 | -170.5 | -58.8 | 170.6 | 0 | 0 | 0 | 109.4 | F41 I48 W49 I50 I89 I99 R106 | F41-I108 HydrophobicContact CE1-CD1 3.96Å; F41-I108 HydrophobicContact CZ-CD1 4.31Å; I48-I108 PolarHBondContact O-N 3.34Å; W49-I108 CarbonylContact C-O 3.52Å; W49-I108 VanDerWaalsContact CA-O 3.28Å; W49-I108 WeakPolarHBondContact CA-O 3.41Å; W49-I108 HydrophobicContact CD2-CB 3.98Å; W49-I108 HydrophobicContact CD2-CG2 4.04Å; W49-I108 HydrophobicContact CE3-CB 4.26Å; W49-I108 HydrophobicContact CE3-CG2 3.85Å; W49-I108 HydrophobicContact CG-CB 4.49Å; W49-I108 HydrophobicContact CH2-CG2 3.74Å; W49-I108 HydrophobicContact CZ2-CB 4.22Å; W49-I108 HydrophobicContact CZ2-CD1 3.69Å; W49-I108 HydrophobicContact CZ2-CG2 3.89Å; W49-I108 HydrophobicContact CZ3-CG2 3.71Å; I50-I108 PolarHBondContact N-O 3.19Å; I89-I108 HydrophobicContact CB-CG2 4.09Å; I89-I108 HydrophobicContact CD1-CG2 4.36Å; I99-I108 HydrophobicContact CG2-CD1 3.81Å; I99-I108 HydrophobicContact CG2-CG1 4.02Å; R106-I108 HydrophobicContact CB-CD1 4.03Å; R106-I108 HydrophobicContact CB-CG1 4.02Å |
| 109 | K | 95.3 | Very high | 95.2 | Very high | 12 Ų | 12 | 37.4 Ų | 37.4 | 5% | 0.052 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 150.1 | 177.8 | -175 | 164.2 | 59.5 | -165.8 | 0 | 111.2 | I50 T58 D83 P87 V88 I89 | I50-K109 WeakPolarHBondContact O-CA 3.26Å; T58-K109 HydrophobicContact CG2-CD 4.2Å; D83-K109 IonicContact OD1-NZ 2.8Å; P87-K109 PolarHBondContact O-N 2.84Å; V88-K109 WeakPolarHBondContact CA-O 3.27Å; V88-K109 HydrophobicContact CG2-CB 4.02Å; V88-K109 HydrophobicContact CG2-CD 4.18Å; V88-K109 HydrophobicContact CG2-CG 4.06Å; I89-K109 PolarHBondContact N-O 2.74Å |
| 110 | S | 97 | Very high | 95.2 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 152.9 | 170.6 | -178.4 | 0 | 0 | 0 | 0 | 111.2 | I50 V51 T52 L112 | I50-S110 PolarHBondContact O-N 3.49Å; V51-S110 WeakPolarHBondContact CA-O 3.49Å; T52-S110 PolarHBondContact N-O 2.7Å; S110-L112 WeakPolarHBondContact OG-CB 3.47Å; S110-L112 PolarHBondContact OG-N 2.85Å |
| 111 | H | 97.3 | Very high | 95.2 | Very high | 12 Ų | 12 | 36.1 Ų | 36.1 | 6% | 0.056 | 20% | 0.198 | C | C | . | . | trans | -114.5 | 9.1 | 167.5 | -64.3 | -62.7 | 0 | 0 | 0 | 112.8 | T52 P54 E90 Y172 H178 | T52-H111 VanDerWaalsContact O-CA 3.31Å; T52-H111 WeakPolarHBondContact O-CA 3.33Å; T52-H111 PolarHBondContact O-ND1 2.89Å; T52-H111 PolarHBondContact OG1-CE1 3.19Å; T52-H111 VanDerWaalsContact OG1-CE1 3.27Å; T52-H111 PolarHBondContact OG1-ND1 3.37Å; T52-H111 VanDerWaalsContact OG1-ND1 3.16Å; P54-H111 HydrophobicContact CG-CB 4.18Å; E90-H111 WeakPolarHBondContact OE1-CB 3.23Å; E90-H111 IonicContact OE1-CD2 3.49Å; E90-H111 PolarHBondContact OE1-N 3.49Å; H111-Y172 HydrophobicContact CB-CD1 3.75Å; H111-Y172 HydrophobicContact CB-CD2 4.05Å; H111-Y172 HydrophobicContact CB-CE1 3.49Å; H111-Y172 VanDerWaalsContact CB-CE1 3.49Å; H111-Y172 HydrophobicContact CB-CE2 3.77Å; H111-Y172 HydrophobicContact CB-CG 4Å; H111-Y172 VanDerWaalsContact CB-CZ 3.47Å; H111-Y172 WeakPolarHBondContact O-CD1 3.32Å; H111-H178 PolarHBondContact O-NE2 3.21Å; H111-H178 VanDerWaalsContact O-NE2 3.14Å | ||
| 112 | L | 98.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -73.1 | 144.4 | -179.1 | -63.2 | 175.8 | 0 | 0 | 0 | 111.5 | L27 M35 I38 I89 E90 S110 F116 L117 Y172 H178 | L27-L112 HydrophobicContact CD1-CD2 4.38Å; L27-L112 HydrophobicContact CD2-CD2 3.82Å; M35-L112 HydrophobicContact CE-CD1 4.4Å; M35-L112 HydrophobicContact CE-CD2 4.29Å; I38-L112 HydrophobicContact CD1-CD1 4.14Å; I38-L112 HydrophobicContact CG2-CD1 3.92Å; I89-L112 HydrophobicContact CG2-CD1 4.5Å; E90-L112 HydrophobicContact CB-CD1 4.42Å; S110-L112 WeakPolarHBondContact OG-CB 3.47Å; S110-L112 PolarHBondContact OG-N 2.85Å; L112-F116 HydrophobicContact CB-CB 4.12Å; L112-F116 HydrophobicContact CD1-CB 4.36Å; L112-L117 HydrophobicContact CB-CD2 4.27Å; L112-Y172 HydrophobicContact CD2-CD1 4.24Å; L112-Y172 HydrophobicContact CD2-CE1 4.1Å; L112-H178 PolarHBondContact O-NE2 3.47Å |
| 113 | P | 98.1 | Very high | 95.3 | Very high | 4 Ų | 4 | 34.9 Ų | 34.9 | 3% | 0.026 | 20% | 0.195 | C | C | . | . | trans | -50.5 | 153.3 | 162.7 | -23.8 | 30.9 | 0 | 0 | 0 | 111.8 | V25 R115 F116 E181 | V25-P113 HydrophobicContact CG1-CG 4.18Å; P113-R115 VanDerWaalsContact C-N 3.3Å; P113-R115 HydrophobicContact CB-CG 4.22Å; P113-R115 PolarHBondContact O-N 3.16Å; P113-F116 HydrophobicContact CB-CD2 4.29Å; P113-F116 HydrophobicContact CG-CD2 3.96Å; P113-F116 HydrophobicContact CG-CE2 4.14Å; P113-F116 PolarHBondContact O-N 3.37Å; P113-E181 VanDerWaalsContact CB-OE2 3.31Å; P113-E181 WeakPolarHBondContact CB-OE2 3.5Å | ||
| 114 | Y | 98.2 | Very high | 95.4 | Very high | 5 Ų | 5 | 30.7 Ų | 30.7 | 2% | 0.02 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -58.7 | -42.1 | -172.3 | 179.6 | -88.4 | 0 | 0 | 0 | 111.7 | F116 L117 H122 E181 F182 H185 V191 | Y114-F116 PolarHBondContact O-N 3.44Å; Y114-F116 VanDerWaalsContact O-N 3.09Å; Y114-L117 HydrophobicContact CD2-CD1 4.17Å; Y114-L117 WeakPolarHBondContact O-CB 3.25Å; Y114-L117 PolarHBondContact O-N 3.06Å; Y114-H122 AromaticContact CD1-CD2 3.87Å; Y114-H122 AromaticContact CD1-NE2 3.88Å; Y114-H122 AromaticContact CE1-CD2 3.24Å; Y114-H122 WeakPolarHBondContact CE1-CD2 3.39Å; Y114-H122 AromaticContact CE1-NE2 3.74Å; Y114-H122 AromaticContact CZ-CD2 3.62Å; Y114-H122 PolarHBondContact O-NE2 2.89Å; Y114-E181 PolarHBondContact N-OE2 3.21Å; Y114-F182 AromaticContact CD2-CD1 3.89Å; Y114-F182 HydrophobicContact CD2-CD1 3.89Å; Y114-F182 AromaticContact CD2-CE1 3.64Å; Y114-F182 HydrophobicContact CD2-CE1 3.64Å; Y114-F182 HydrophobicContact CD2-CZ 4.2Å; Y114-F182 HydrophobicContact CG-CE1 4.3Å; Y114-F182 HydrophobicContact CG-CZ 4.45Å; Y114-H185 AromaticContact CD1-CD2 3.51Å; Y114-H185 AromaticContact CD1-NE2 3.53Å; Y114-H185 HydrophobicContact CD2-CB 4.45Å; Y114-H185 AromaticContact CE1-CD2 3.5Å; Y114-H185 AromaticContact CE1-CE1 3.35Å; Y114-H185 WeakPolarHBondContact CE1-CE1 3.32Å; Y114-H185 AromaticContact CE1-CG 3.67Å; Y114-H185 AromaticContact CE1-ND1 3.57Å; Y114-H185 AromaticContact CE1-NE2 3.32Å; Y114-H185 VanDerWaalsContact CE1-NE2 3.32Å; Y114-H185 WeakPolarHBondContact CE1-NE2 3.27Å; Y114-H185 HydrophobicContact CE2-CB 4.06Å; Y114-H185 AromaticContact CE2-CG 3.97Å; Y114-H185 AromaticContact CG-CD2 3.97Å; Y114-H185 AromaticContact CZ-CD2 3.92Å; Y114-H185 AromaticContact CZ-CE1 3.8Å; Y114-H185 AromaticContact CZ-CG 3.6Å; Y114-H185 AromaticContact CZ-ND1 3.52Å; Y114-H185 PolarHBondContact OH-ND1 3.39Å; Y114-V191 HydrophobicContact CE2-CG2 4.1Å |
| 115 | R | 97.6 | Very high | 95.6 | Very high | 100 Ų | 100 | 32.6 Ų | 32.6 | 38% | 0.377 | 18% | 0.179 | S | C | . | . | G | 310 helix | trans | -58.8 | -17.9 | 175.3 | 58 | -175.9 | 158.9 | 135.4 | -11.4 | 115.8 | D23 P113 E181 | D23-R115 PolarHBondContact O-NH1 2.91Å; P113-R115 VanDerWaalsContact C-N 3.3Å; P113-R115 HydrophobicContact CB-CG 4.22Å; P113-R115 PolarHBondContact O-N 3.16Å; R115-E181 WeakPolarHBondContact CA-OE1 3.32Å; R115-E181 WeakPolarHBondContact CB-OE1 3.3Å; R115-E181 WeakPolarHBondContact CG-OE1 2.82Å; R115-E181 PolarHBondContact N-OE1 3.46Å |
| 116 | F | 98.4 | Very high | 95.9 | Very high | 13 Ų | 13 | 28.7 Ų | 28.7 | 6% | 0.057 | 15% | 0.154 | C | C | . | . | G | 310 helix | trans | -103.5 | 1 | 178.3 | -60.3 | -23.1 | 0 | 0 | 0 | 113.3 | F22 D23 V25 L27 M35 L112 P113 Y114 | F22-F116 HydrophobicContact CD1-CD1 4.03Å; F22-F116 HydrophobicContact CD1-CD2 4.44Å; F22-F116 AromaticContact CD1-CE1 3.64Å; F22-F116 HydrophobicContact CD1-CE1 3.64Å; F22-F116 HydrophobicContact CD1-CE2 4.1Å; F22-F116 HydrophobicContact CD1-CG 4.44Å; F22-F116 AromaticContact CD1-CZ 3.7Å; F22-F116 HydrophobicContact CD1-CZ 3.7Å; F22-F116 AromaticContact CE1-CD1 3.92Å; F22-F116 HydrophobicContact CE1-CD1 3.92Å; F22-F116 AromaticContact CE1-CE1 3.77Å; F22-F116 HydrophobicContact CE1-CE1 3.77Å; F22-F116 HydrophobicContact CE1-CZ 4.31Å; F22-F116 WeakPolarHBondContact O-CZ 3.24Å; D23-F116 HydrophobicContact CB-CE1 3.98Å; D23-F116 HydrophobicContact CB-CZ 3.98Å; V25-F116 HydrophobicContact CB-CE2 3.64Å; V25-F116 HydrophobicContact CB-CZ 4.05Å; V25-F116 HydrophobicContact CG1-CE2 4.02Å; V25-F116 HydrophobicContact CG2-CE2 3.62Å; V25-F116 HydrophobicContact CG2-CZ 3.75Å; L27-F116 HydrophobicContact CD1-CD2 4.31Å; L27-F116 HydrophobicContact CD1-CE2 4.32Å; M35-F116 HydrophobicContact CE-CB 3.8Å; M35-F116 HydrophobicContact CE-CD2 4.04Å; M35-F116 HydrophobicContact CE-CG 3.91Å; L112-F116 HydrophobicContact CB-CB 4.12Å; L112-F116 HydrophobicContact CD1-CB 4.36Å; P113-F116 HydrophobicContact CB-CD2 4.29Å; P113-F116 HydrophobicContact CG-CD2 3.96Å; P113-F116 HydrophobicContact CG-CE2 4.14Å; P113-F116 PolarHBondContact O-N 3.37Å; Y114-F116 PolarHBondContact O-N 3.44Å; Y114-F116 VanDerWaalsContact O-N 3.09Å |
| 117 | L | 98.1 | Very high | 96.2 | Very high | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -68.6 | 161.6 | 167.7 | -62.4 | -178.8 | 0 | 0 | 0 | 110.5 | V51 L112 Y114 T119 M121 V128 F182 | V51-L117 HydrophobicContact CG2-CD1 4.14Å; V51-L117 HydrophobicContact CG2-CD2 4.3Å; L112-L117 HydrophobicContact CB-CD2 4.27Å; Y114-L117 HydrophobicContact CD2-CD1 4.17Å; Y114-L117 WeakPolarHBondContact O-CB 3.25Å; Y114-L117 PolarHBondContact O-N 3.06Å; L117-T119 PolarHBondContact O-N 3.21Å; L117-M121 HydrophobicContact CB-SD 4.02Å; L117-M121 HydrophobicContact CD1-SD 4.16Å; L117-V128 HydrophobicContact CD1-CG1 4.44Å; L117-F182 HydrophobicContact CD1-CE1 3.99Å; L117-F182 HydrophobicContact CD1-CZ 3.92Å |
| 118 | P | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.16 | C | C | . | . | trans | -50 | 131.2 | 177.4 | -27.7 | 34.1 | 0 | 0 | 0 | 112.2 | I38 S39 F41 L43 W49 A120 M121 | I38-P118 WeakPolarHBondContact O-CG 3.2Å; S39-P118 WeakPolarHBondContact O-CA 3.24Å; F41-P118 HydrophobicContact CB-CB 4.3Å; F41-P118 HydrophobicContact CB-CG 3.93Å; F41-P118 HydrophobicContact CD1-CG 4.44Å; L43-P118 HydrophobicContact CD1-CB 4.28Å; L43-P118 HydrophobicContact CD2-CB 4.08Å; L43-P118 HydrophobicContact CD2-CG 4.13Å; L43-P118 HydrophobicContact CG-CB 4.29Å; W49-P118 HydrophobicContact CH2-CG 3.78Å; W49-P118 HydrophobicContact CZ2-CG 4.11Å; W49-P118 HydrophobicContact CZ3-CG 4.46Å; P118-A120 PolarHBondContact O-N 3.44Å; P118-A120 VanDerWaalsContact O-N 3.08Å; P118-M121 HydrophobicContact CB-CE 4.08Å; P118-M121 HydrophobicContact CB-CG 4.46Å; P118-M121 HydrophobicContact CG-CE 3.6Å; P118-M121 WeakPolarHBondContact O-CB 3.5Å; P118-M121 PolarHBondContact O-N 3.08Å | ||
| 119 | T | 96.8 | Very high | 96.6 | Very high | 68 Ų | 68 | 30.2 Ų | 30.2 | 42% | 0.417 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -57.3 | -33 | -171.3 | -63.1 | 0 | 0 | 0 | 0 | 112.2 | S39 L117 M121 H122 | S39-T119 PolarHBondContact O-N 3.14Å; S39-T119 PolarHBondContact OG-OG1 3Å; L117-T119 PolarHBondContact O-N 3.21Å; T119-M121 PolarHBondContact O-N 2.98Å; T119-H122 WeakPolarHBondContact O-CB 3.46Å; T119-H122 PolarHBondContact O-N 2.81Å; T119-H122 VanDerWaalsContact O-N 3.12Å |
| 120 | A | 95.4 | Very high | 96.7 | Very high | 25 Ų | 25 | 29.6 Ų | 29.6 | 21% | 0.207 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -59 | -29.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | L43 P118 H122 N123 E125 | L43-A120 HydrophobicContact CD1-CB 3.6Å; L43-A120 HydrophobicContact CG-CB 4.25Å; P118-A120 PolarHBondContact O-N 3.44Å; P118-A120 VanDerWaalsContact O-N 3.08Å; A120-H122 VanDerWaalsContact C-N 3.3Å; A120-H122 PolarHBondContact O-N 3.33Å; A120-N123 PolarHBondContact O-N 2.91Å; A120-N123 VanDerWaalsContact O-N 3.16Å; A120-E125 HydrophobicContact CB-CB 4.4Å; A120-E125 HydrophobicContact CB-CG 4.47Å; A120-E125 WeakPolarHBondContact O-CB 3.32Å; A120-E125 PolarHBondContact O-N 3.18Å |
| 121 | M | 95.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -66.5 | -31.8 | 176.2 | -64.9 | -172.9 | -164.6 | 0 | 0 | 113 | L43 W49 L117 P118 T119 N123 G124 V128 N190 | L43-M121 HydrophobicContact CD1-CB 4.39Å; L43-M121 HydrophobicContact CD1-CE 4.03Å; L43-M121 HydrophobicContact CD1-CG 3.4Å; L43-M121 VanDerWaalsContact CD1-CG 3.4Å; L43-M121 HydrophobicContact CD2-CE 3.49Å; L43-M121 VanDerWaalsContact CD2-CE 3.49Å; L43-M121 HydrophobicContact CG-CE 4.41Å; W49-M121 HydrophobicContact CD2-CE 3.21Å; W49-M121 HydrophobicContact CD2-SD 4.26Å; W49-M121 HydrophobicContact CE3-CE 3.68Å; W49-M121 HydrophobicContact CG-CE 3.62Å; W49-M121 HydrophobicContact CG-SD 4.31Å; W49-M121 HydrophobicContact CH2-CE 3.77Å; W49-M121 HydrophobicContact CZ2-CE 3.34Å; W49-M121 HydrophobicContact CZ3-CE 3.93Å; W49-M121 VanDerWaalsContact NE1-CE 3.34Å; L117-M121 HydrophobicContact CB-SD 4.02Å; L117-M121 HydrophobicContact CD1-SD 4.16Å; P118-M121 HydrophobicContact CB-CE 4.08Å; P118-M121 HydrophobicContact CB-CG 4.46Å; P118-M121 HydrophobicContact CG-CE 3.6Å; P118-M121 WeakPolarHBondContact O-CB 3.5Å; P118-M121 PolarHBondContact O-N 3.08Å; T119-M121 PolarHBondContact O-N 2.98Å; M121-N123 PolarHBondContact O-N 3.01Å; M121-G124 PolarHBondContact O-N 3.35Å; M121-V128 HydrophobicContact SD-CG2 3.73Å; M121-N190 PolarHBondContact O-ND2 3.12Å |
| 122 | H | 95.3 | Very high | 96.8 | Very high | 67 Ų | 67 | 29.5 Ų | 29.5 | 31% | 0.31 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -66.4 | -17.8 | 178.1 | -53 | 156.9 | 0 | 0 | 0 | 111.6 | Y114 T119 A120 | Y114-H122 AromaticContact CD1-CD2 3.87Å; Y114-H122 AromaticContact CD1-NE2 3.88Å; Y114-H122 AromaticContact CE1-CD2 3.24Å; Y114-H122 WeakPolarHBondContact CE1-CD2 3.39Å; Y114-H122 AromaticContact CE1-NE2 3.74Å; Y114-H122 AromaticContact CZ-CD2 3.62Å; Y114-H122 PolarHBondContact O-NE2 2.89Å; T119-H122 WeakPolarHBondContact O-CB 3.46Å; T119-H122 PolarHBondContact O-N 2.81Å; T119-H122 VanDerWaalsContact O-N 3.12Å; A120-H122 VanDerWaalsContact C-N 3.3Å; A120-H122 PolarHBondContact O-N 3.33Å |
| 123 | N | 92.9 | Very high | 96.7 | Very high | 130 Ų | 130 | 31.6 Ų | 31.6 | 70% | 0.695 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.3 | 10.8 | 174.9 | -59 | -45 | 0 | 0 | 0 | 113.4 | A120 M121 | A120-N123 PolarHBondContact O-N 2.91Å; A120-N123 VanDerWaalsContact O-N 3.16Å; M121-N123 PolarHBondContact O-N 3.01Å |
| 124 | G | 92 | Very high | 96.7 | Very high | 36 Ų | 36 | 34.1 Ų | 34.1 | 37% | 0.371 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 91.7 | 8.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | M121 N190 | M121-G124 PolarHBondContact O-N 3.35Å; G124-N190 WeakPolarHBondContact CA-ND2 3.45Å |
| 125 | E | 94.6 | Very high | 96.6 | Very high | 96 Ų | 96 | 35.3 Ų | 35.3 | 45% | 0.449 | 19% | 0.188 | S | C | . | . | trans | -78.4 | 156.3 | 175.8 | -61.5 | -173.8 | -132.9 | 0 | 0 | 112.4 | L43 A120 N190 | L43-E125 HydrophobicContact CD1-CB 4.01Å; A120-E125 HydrophobicContact CB-CB 4.4Å; A120-E125 HydrophobicContact CB-CG 4.47Å; A120-E125 WeakPolarHBondContact O-CB 3.32Å; A120-E125 PolarHBondContact O-N 3.18Å; E125-N190 PolarHBondContact O-ND2 2.86Å | ||
| 126 | A | 95.4 | Very high | 96.5 | Very high | 9 Ų | 9 | 38 Ų | 38 | 7% | 0.074 | 20% | 0.202 | C | C | . | . | S | Bend | trans | 55.1 | -173.7 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | L43 D47 N190 | L43-A126 HydrophobicContact CD1-CB 4.25Å; D47-A126 HydrophobicContact CB-CB 3.97Å; A126-N190 VanDerWaalsContact O-CB 3.26Å; A126-N190 WeakPolarHBondContact O-CB 3.41Å |
| 127 | K | 97.6 | Very high | 96.3 | Very high | 56 Ų | 56 | 41.1 Ų | 41.1 | 24% | 0.243 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 131.2 | 172.1 | -67.9 | -177.5 | -175 | -173.1 | 0 | 109.4 | D47 I48 W49 F213 L214 | D47-K127 PolarHBondContact O-N 3.46Å; I48-K127 CarbonylContact C-O 3.58Å; I48-K127 WeakPolarHBondContact CA-O 3.3Å; W49-K127 WeakPolarHBondContact CB-O 3.35Å; W49-K127 PolarHBondContact N-O 3.47Å; K127-F213 HydrophobicContact CB-CE1 3.74Å; K127-F213 HydrophobicContact CB-CZ 3.94Å; K127-F213 HydrophobicContact CD-CE1 4.36Å; K127-F213 WeakPolarHBondContact CD-O 3.41Å; K127-F213 WeakPolarHBondContact CE-O 3.48Å; K127-F213 HydrophobicContact CG-CE1 4.29Å; K127-F213 HydrophobicContact CG-CZ 4.3Å; K127-F213 PolarHBondContact NZ-O 3.46Å; K127-L214 HydrophobicContact CD-CD2 4.19Å; K127-L214 PolarHBondContact NZ-O 3.3Å |
| 128 | V | 98.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 119 | -179.8 | -175.5 | 0 | 0 | 0 | 0 | 109.2 | W49 V51 L117 M121 F182 N190 V191 L192 | W49-V128 HydrophobicContact CB-CG2 4.37Å; V51-V128 HydrophobicContact CG2-CG1 3.89Å; L117-V128 HydrophobicContact CD1-CG1 4.44Å; M121-V128 HydrophobicContact SD-CG2 3.73Å; V128-F182 HydrophobicContact CG1-CE1 4.17Å; V128-N190 PolarHBondContact N-O 3.49Å; V128-V191 HydrophobicContact CB-CG2 4.31Å; V128-V191 CarbonylContact O-C 3.58Å; V128-V191 VanDerWaalsContact O-CA 3.32Å; V128-V191 WeakPolarHBondContact O-CA 3.37Å; V128-L192 PolarHBondContact O-N 3.04Å |
| 129 | I | 98.3 | Very high | 96 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 113.1 | 172.9 | -57.4 | 165.5 | 0 | 0 | 0 | 106.8 | I48 W49 V51 L61 V65 L192 L194 L210 F213 L214 | I48-I129 HydrophobicContact CG2-CD1 3.72Å; I48-I129 HydrophobicContact CG2-CG1 4.48Å; W49-I129 PolarHBondContact O-N 3.45Å; V51-I129 PolarHBondContact N-O 2.65Å; L61-I129 HydrophobicContact CD1-CG2 4.3Å; L61-I129 HydrophobicContact CD2-CG2 4.11Å; V65-I129 HydrophobicContact CG1-CD1 3.87Å; V65-I129 HydrophobicContact CG2-CD1 3.74Å; I129-L192 WeakPolarHBondContact CA-O 3.48Å; I129-L192 HydrophobicContact CG1-CB 4.43Å; I129-L192 HydrophobicContact CG1-CD2 4.48Å; I129-L194 HydrophobicContact CG2-CD1 3.74Å; I129-L194 HydrophobicContact CG2-CG 4.3Å; I129-L210 HydrophobicContact CD1-CD1 3.51Å; I129-L210 HydrophobicContact CG1-CD1 4.28Å; I129-F213 HydrophobicContact CG1-CD1 4.09Å; I129-F213 HydrophobicContact CG1-CE1 3.75Å; I129-L214 HydrophobicContact CD1-CD2 4.15Å |
| 130 | Y | 98.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 134.7 | 175.8 | -177.8 | -99.8 | 0 | 0 | 0 | 110.7 | V51 A132 H178 V179 F182 L192 F193 L194 | V51-Y130 HydrophobicContact CB-CD2 4.17Å; V51-Y130 HydrophobicContact CG1-CD2 4.24Å; V51-Y130 VanDerWaalsContact O-CA 3.28Å; V51-Y130 WeakPolarHBondContact O-CA 3.43Å; V51-Y130 VanDerWaalsContact O-CD2 3.27Å; V51-Y130 WeakPolarHBondContact O-CD2 3.31Å; Y130-A132 HydrophobicContact CE1-CB 4Å; Y130-H178 AromaticContact CE2-CE1 3.66Å; Y130-H178 AromaticContact CE2-ND1 3.66Å; Y130-H178 AromaticContact CZ-ND1 3.84Å; Y130-H178 PolarHBondContact OH-ND1 3.4Å; Y130-V179 HydrophobicContact CE1-CG2 4.19Å; Y130-V179 WeakPolarHBondContact OH-CA 3.47Å; Y130-F182 HydrophobicContact CD1-CB 3.59Å; Y130-F182 HydrophobicContact CD1-CD1 4.45Å; Y130-F182 HydrophobicContact CD1-CG 4.01Å; Y130-F182 HydrophobicContact CD2-CB 3.81Å; Y130-F182 AromaticContact CD2-CD1 3.38Å; Y130-F182 HydrophobicContact CD2-CD1 3.38Å; Y130-F182 AromaticContact CD2-CD2 3.45Å; Y130-F182 HydrophobicContact CD2-CD2 3.45Å; Y130-F182 VanDerWaalsContact CD2-CD2 3.45Å; Y130-F182 AromaticContact CD2-CE1 3.73Å; Y130-F182 HydrophobicContact CD2-CE1 3.73Å; Y130-F182 AromaticContact CD2-CE2 3.81Å; Y130-F182 HydrophobicContact CD2-CE2 3.81Å; Y130-F182 AromaticContact CD2-CG 3.24Å; Y130-F182 HydrophobicContact CD2-CG 3.24Å; Y130-F182 AromaticContact CD2-CZ 3.96Å; Y130-F182 HydrophobicContact CD2-CZ 3.96Å; Y130-F182 HydrophobicContact CE1-CB 3.77Å; Y130-F182 HydrophobicContact CE1-CD2 4.48Å; Y130-F182 HydrophobicContact CE1-CG 4.22Å; Y130-F182 HydrophobicContact CE2-CB 4.02Å; Y130-F182 HydrophobicContact CE2-CD1 4.13Å; Y130-F182 AromaticContact CE2-CD2 3.28Å; Y130-F182 HydrophobicContact CE2-CD2 3.28Å; Y130-F182 HydrophobicContact CE2-CE1 4.46Å; Y130-F182 AromaticContact CE2-CE2 3.71Å; Y130-F182 HydrophobicContact CE2-CE2 3.71Å; Y130-F182 AromaticContact CE2-CG 3.54Å; Y130-F182 HydrophobicContact CE2-CG 3.54Å; Y130-F182 HydrophobicContact CE2-CZ 4.29Å; Y130-F182 HydrophobicContact CG-CB 3.58Å; Y130-F182 AromaticContact CG-CD1 3.56Å; Y130-F182 HydrophobicContact CG-CD1 3.56Å; Y130-F182 HydrophobicContact CG-CD2 4.15Å; Y130-F182 HydrophobicContact CG-CE1 4.28Å; Y130-F182 AromaticContact CG-CG 3.49Å; Y130-F182 HydrophobicContact CG-CG 3.49Å; Y130-F182 VanDerWaalsContact CG-CG 3.49Å; Y130-F182 AromaticContact CZ-CD2 3.83Å; Y130-L192 PolarHBondContact N-O 3.3Å; Y130-F193 AromaticContact CD1-CD2 3.52Å; Y130-F193 HydrophobicContact CD1-CD2 3.52Å; Y130-F193 AromaticContact CD1-CE2 3.38Å; Y130-F193 HydrophobicContact CD1-CE2 3.38Å; Y130-F193 HydrophobicContact CD1-CG 4.31Å; Y130-F193 HydrophobicContact CD1-CZ 4.06Å; Y130-F193 HydrophobicContact CE1-CD2 4.15Å; Y130-F193 AromaticContact CE1-CE2 3.51Å; Y130-F193 HydrophobicContact CE1-CE2 3.51Å; Y130-F193 AromaticContact CE1-CZ 3.99Å; Y130-F193 HydrophobicContact CE1-CZ 3.99Å; Y130-F193 HydrophobicContact CG-CD2 4.44Å; Y130-L194 PolarHBondContact O-N 2.85Å |
| 131 | M | 97.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 119.1 | 171.8 | 174.6 | 176.8 | -72.6 | 0 | 0 | 112.9 | V51 T52 L61 L194 Y196 M199 | V51-M131 PolarHBondContact O-N 3.36Å; V51-M131 VanDerWaalsContact O-N 3.08Å; T52-M131 HydrophobicContact CG2-CB 3.97Å; L61-M131 HydrophobicContact CB-CE 3.56Å; L61-M131 HydrophobicContact CB-SD 3.81Å; L61-M131 HydrophobicContact CD1-CE 3.54Å; L61-M131 HydrophobicContact CD2-CB 3.63Å; L61-M131 HydrophobicContact CD2-CE 3.76Å; L61-M131 HydrophobicContact CD2-CG 4.5Å; L61-M131 HydrophobicContact CD2-SD 4.11Å; L61-M131 HydrophobicContact CG-CE 3.77Å; L61-M131 HydrophobicContact CG-SD 4.41Å; M131-L194 WeakPolarHBondContact CA-O 3.41Å; M131-L194 HydrophobicContact CE-CB 4.45Å; M131-Y196 HydrophobicContact SD-CD2 4.11Å; M131-M199 HydrophobicContact CE-CG 4.3Å; M131-M199 HydrophobicContact CE-SD 3.31Å; M131-M199 WeakPolarHBondContact CE-SD 3.01Å; M131-M199 HydrophobicContact SD-SD 4.01Å |
| 132 | A | 97.5 | Very high | 95.4 | Very high | 9 Ų | 9 | 42 Ų | 42 | 7% | 0.074 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 154.6 | 169 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y130 V179 F193 L194 K195 Y196 | Y130-A132 HydrophobicContact CE1-CB 4Å; A132-V179 HydrophobicContact CB-CG2 3.87Å; A132-F193 HydrophobicContact CB-CE1 3.85Å; A132-F193 HydrophobicContact CB-CZ 3.57Å; A132-L194 PolarHBondContact N-O 2.94Å; A132-K195 CarbonylContact O-C 3.58Å; A132-K195 WeakPolarHBondContact O-CA 3.47Å; A132-Y196 WeakPolarHBondContact O-CB 3.4Å; A132-Y196 PolarHBondContact O-N 2.97Å |
| 133 | R | 96.9 | Very high | 95.2 | Very high | 45 Ų | 45 | 40.1 Ų | 40.1 | 17% | 0.17 | 21% | 0.213 | C | C | . | . | trans | -139.9 | 149.6 | 169.6 | -174 | 176.1 | -173.6 | 175.4 | 10.2 | 109 | K55 L138 W175 Y196 E197 | K55-R133 PolarHBondContact O-NH1 3.31Å; R133-L138 HydrophobicContact CB-CD1 4.49Å; R133-W175 WeakPolarHBondContact O-CZ2 3.17Å; R133-Y196 HydrophobicContact CB-CG 4.49Å; R133-Y196 HydrophobicContact CG-CD1 3.99Å; R133-Y196 HydrophobicContact CG-CG 4.04Å; R133-E197 WeakPolarHBondContact CG-OE1 3.35Å | ||
| 134 | N | 97 | Very high | 95 | Very high | 57 Ų | 57 | 38.6 Ų | 38.6 | 31% | 0.305 | 20% | 0.202 | S | C | . | . | trans | -48.3 | 125.9 | 171.9 | 170 | 28.2 | 0 | 0 | 0 | 110.6 | K136 D137 L138 E197 | N134-K136 PolarHBondContact O-N 3.11Å; N134-K136 VanDerWaalsContact O-N 3.12Å; N134-K136 PolarHBondContact OD1-N 2.78Å; N134-D137 PolarHBondContact ND2-OD2 2.81Å; N134-D137 PolarHBondContact O-N 2.81Å; N134-L138 WeakPolarHBondContact O-CB 3.29Å; N134-L138 PolarHBondContact O-N 3.23Å; N134-E197 WeakPolarHBondContact CB-OE1 3.17Å; N134-E197 PolarHBondContact N-OE1 2.92Å | ||
| 135 | P | 96.8 | Very high | 94.7 | Very high | 29 Ų | 29 | 39.7 Ų | 39.7 | 19% | 0.188 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.1 | -26 | -172.2 | 23.3 | -34.5 | 0 | 0 | 0 | 113.1 | V139 F165 W175 | P135-V139 WeakPolarHBondContact O-CB 3.32Å; P135-V139 WeakPolarHBondContact O-CG1 3Å; P135-V139 PolarHBondContact O-N 2.93Å; P135-F165 HydrophobicContact CB-CE1 4.09Å; P135-F165 HydrophobicContact CB-CZ 3.82Å; P135-W175 HydrophobicContact CB-CD2 3.88Å; P135-W175 HydrophobicContact CB-CE3 3.73Å; P135-W175 HydrophobicContact CB-CH2 3.76Å; P135-W175 HydrophobicContact CB-CZ2 3.88Å; P135-W175 HydrophobicContact CB-CZ3 3.67Å; P135-W175 VanDerWaalsContact CD-CH2 3.41Å; P135-W175 HydrophobicContact CG-CE3 4.19Å; P135-W175 HydrophobicContact CG-CH2 3.48Å; P135-W175 VanDerWaalsContact CG-CH2 3.48Å; P135-W175 HydrophobicContact CG-CZ2 3.97Å; P135-W175 HydrophobicContact CG-CZ3 3.6Å |
| 136 | K | 95.6 | Very high | 94.1 | Very high | 157 Ų | 157 | 35.1 Ų | 35.1 | 68% | 0.683 | 18% | 0.175 | S | C | * | . | H | α-helix | trans | -69 | -44 | 178.9 | -61.1 | -178.6 | -177.8 | 177.7 | 0 | 112.1 | N134 V139 V140 | N134-K136 PolarHBondContact O-N 3.11Å; N134-K136 VanDerWaalsContact O-N 3.12Å; N134-K136 PolarHBondContact OD1-N 2.78Å; K136-V139 WeakPolarHBondContact O-CG1 3.19Å; K136-V140 WeakPolarHBondContact O-CG2 3.24Å |
| 137 | D | 94.3 | Very high | 93.3 | Very high | 78 Ų | 78 | 41.3 Ų | 41.3 | 42% | 0.417 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -74.9 | -36.9 | 177.8 | -61.1 | -45.8 | 0 | 0 | 0 | 110.8 | N134 V140 S141 | N134-D137 PolarHBondContact ND2-OD2 2.81Å; N134-D137 PolarHBondContact O-N 2.81Å; D137-V140 PolarHBondContact O-N 3.2Å; D137-S141 PolarHBondContact O-N 3.03Å |
| 138 | L | 94.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -58.6 | -50.6 | 175.6 | -175.6 | 162.6 | 0 | 0 | 0 | 111.7 | Y53 S56 R133 N134 V140 S141 Y142 F165 W175 | Y53-L138 HydrophobicContact CD1-CD1 3.94Å; Y53-L138 HydrophobicContact CD1-CD2 3.89Å; Y53-L138 HydrophobicContact CD1-CG 4.47Å; Y53-L138 HydrophobicContact CE1-CD2 4.03Å; S56-L138 WeakPolarHBondContact OG-CD1 3.48Å; R133-L138 HydrophobicContact CB-CD1 4.49Å; N134-L138 WeakPolarHBondContact O-CB 3.29Å; N134-L138 PolarHBondContact O-N 3.23Å; L138-V140 VanDerWaalsContact C-N 3.26Å; L138-V140 PolarHBondContact O-N 3.33Å; L138-S141 PolarHBondContact O-N 3.2Å; L138-S141 VanDerWaalsContact O-N 3.14Å; L138-Y142 HydrophobicContact CD2-CD1 4.42Å; L138-Y142 WeakPolarHBondContact O-CB 3.31Å; L138-Y142 PolarHBondContact O-N 2.91Å; L138-F165 HydrophobicContact CD2-CE2 3.97Å; L138-W175 VanDerWaalsContact CD1-CD1 3.46Å |
| 139 | V | 94.4 | Very high | 90.8 | Very high | 7 Ų | 7 | 45.5 Ų | 45.5 | 4% | 0.042 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.4 | -32.6 | -177.3 | 69.8 | 0 | 0 | 0 | 0 | 112.2 | P135 K136 Y142 Y143 F158 F161 F165 | P135-V139 WeakPolarHBondContact O-CB 3.32Å; P135-V139 WeakPolarHBondContact O-CG1 3Å; P135-V139 PolarHBondContact O-N 2.93Å; K136-V139 WeakPolarHBondContact O-CG1 3.19Å; V139-Y142 PolarHBondContact O-N 3.46Å; V139-Y143 WeakPolarHBondContact O-CB 3.42Å; V139-Y143 PolarHBondContact O-N 3.28Å; V139-F158 HydrophobicContact CG1-CE2 4.28Å; V139-F158 HydrophobicContact CG1-CZ 4.16Å; V139-F158 HydrophobicContact CG2-CE2 4.43Å; V139-F161 HydrophobicContact CG2-CD1 3.85Å; V139-F161 HydrophobicContact CG2-CE1 4.03Å; V139-F165 HydrophobicContact CB-CD1 4.32Å; V139-F165 HydrophobicContact CB-CD2 4.33Å; V139-F165 HydrophobicContact CB-CG 4.18Å; V139-F165 HydrophobicContact CG2-CB 3.73Å; V139-F165 HydrophobicContact CG2-CD1 4.19Å; V139-F165 HydrophobicContact CG2-CD2 4.17Å; V139-F165 HydrophobicContact CG2-CG 3.77Å |
| 140 | V | 93.4 | Very high | 88.9 | Confident | 65 Ų | 65 | 56.1 Ų | 56.1 | 39% | 0.394 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -64.6 | -49.9 | 172.5 | 174.2 | 0 | 0 | 0 | 0 | 110.4 | K136 D137 L138 Y142 Y143 Q144 F158 | K136-V140 WeakPolarHBondContact O-CG2 3.24Å; D137-V140 PolarHBondContact O-N 3.2Å; L138-V140 VanDerWaalsContact C-N 3.26Å; L138-V140 PolarHBondContact O-N 3.33Å; V140-Y142 VanDerWaalsContact C-N 3.27Å; V140-Y142 PolarHBondContact O-N 3.1Å; V140-Y143 PolarHBondContact O-N 2.99Å; V140-Q144 WeakPolarHBondContact O-CG 3.32Å; V140-Q144 PolarHBondContact O-N 3.47Å; V140-F158 HydrophobicContact CB-CE2 4.49Å; V140-F158 HydrophobicContact CG2-CE2 3.88Å; V140-F158 HydrophobicContact CG2-CZ 3.65Å |
| 141 | S | 91.1 | Very high | 86.9 | Confident | 33 Ų | 33 | 61.5 Ų | 61.5 | 23% | 0.231 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -59.6 | -39.8 | 176.9 | -173 | 0 | 0 | 0 | 0 | 111.8 | K55 D137 L138 Q144 F145 | K55-S141 WeakPolarHBondContact CE-OG 3.47Å; D137-S141 PolarHBondContact O-N 3.03Å; L138-S141 PolarHBondContact O-N 3.2Å; L138-S141 VanDerWaalsContact O-N 3.14Å; S141-Q144 PolarHBondContact O-N 3.34Å; S141-F145 WeakPolarHBondContact O-CB 3.34Å; S141-F145 PolarHBondContact O-N 3.37Å |
| 142 | Y | 91.8 | Very high | 85.2 | Confident | 8 Ų | 8 | 64 Ų | 64 | 3% | 0.031 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -71.5 | -35.2 | -178.4 | -157 | -178.5 | 0 | 0 | 0 | 113.5 | Y53 P54 K55 L138 V139 V140 F145 H146 F161 L170 | Y53-Y142 HydrophobicContact CE1-CD1 4.14Å; Y53-Y142 AromaticContact CE1-CE1 3.92Å; Y53-Y142 HydrophobicContact CE1-CE1 3.92Å; P54-Y142 HydrophobicContact CB-CE1 3.96Å; P54-Y142 HydrophobicContact CB-CE2 3.99Å; P54-Y142 HydrophobicContact CG-CE1 4.35Å; K55-Y142 HydrophobicContact CB-CG 4.48Å; K55-Y142 HydrophobicContact CG-CD2 3.69Å; K55-Y142 HydrophobicContact CG-CE2 4.36Å; K55-Y142 HydrophobicContact CG-CG 3.99Å; L138-Y142 HydrophobicContact CD2-CD1 4.42Å; L138-Y142 WeakPolarHBondContact O-CB 3.31Å; L138-Y142 PolarHBondContact O-N 2.91Å; V139-Y142 PolarHBondContact O-N 3.46Å; V140-Y142 VanDerWaalsContact C-N 3.27Å; V140-Y142 PolarHBondContact O-N 3.1Å; Y142-F145 HydrophobicContact CD2-CD1 4.11Å; Y142-F145 HydrophobicContact CE2-CD1 4.13Å; Y142-H146 AromaticContact CD2-CE1 3.41Å; Y142-H146 VanDerWaalsContact CD2-CE1 3.41Å; Y142-H146 WeakPolarHBondContact CD2-CE1 3.31Å; Y142-H146 AromaticContact CD2-ND1 3.23Å; Y142-H146 WeakPolarHBondContact CD2-ND1 3.35Å; Y142-H146 AromaticContact CE2-CE1 3.01Å; Y142-H146 WeakPolarHBondContact CE2-CE1 3.48Å; Y142-H146 AromaticContact CE2-ND1 3.32Å; Y142-H146 VanDerWaalsContact CE2-ND1 3.32Å; Y142-H146 WeakPolarHBondContact CE2-ND1 3.41Å; Y142-H146 AromaticContact CZ-CE1 3.51Å; Y142-H146 PolarHBondContact O-N 2.91Å; Y142-H146 VanDerWaalsContact O-N 3.07Å; Y142-H146 PolarHBondContact O-ND1 3.35Å; Y142-F161 HydrophobicContact CD1-CE1 4.47Å; Y142-F161 HydrophobicContact CD1-CZ 4.23Å; Y142-F161 HydrophobicContact CD2-CZ 4.28Å; Y142-F161 HydrophobicContact CG-CE1 4.22Å; Y142-F161 AromaticContact CG-CZ 3.91Å; Y142-F161 HydrophobicContact CG-CZ 3.91Å; Y142-L170 HydrophobicContact CD1-CD1 3.76Å; Y142-L170 HydrophobicContact CE1-CB 4.3Å; Y142-L170 HydrophobicContact CE1-CD1 3.81Å |
| 143 | Y | 90.4 | Very high | 83.7 | Confident | 27 Ų | 27 | 65.2 Ų | 65.2 | 11% | 0.106 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63.2 | -47.1 | 169.9 | 171.5 | -110.7 | 0 | 0 | 0 | 111.8 | V139 V140 F145 H146 R147 Y154 F158 F161 | V139-Y143 WeakPolarHBondContact O-CB 3.42Å; V139-Y143 PolarHBondContact O-N 3.28Å; V140-Y143 PolarHBondContact O-N 2.99Å; Y143-F145 VanDerWaalsContact C-N 3.33Å; Y143-F145 PolarHBondContact O-N 3.31Å; Y143-H146 PolarHBondContact O-N 3.24Å; Y143-R147 HydrophobicContact CE2-CG 4.23Å; Y143-R147 WeakPolarHBondContact O-CG 3.47Å; Y143-R147 PolarHBondContact O-N 3.31Å; Y143-R147 VanDerWaalsContact O-N 3.17Å; Y143-Y154 HydrophobicContact CD2-CD1 4.17Å; Y143-Y154 HydrophobicContact CD2-CE1 4.07Å; Y143-Y154 HydrophobicContact CE2-CD1 4.05Å; Y143-Y154 AromaticContact CE2-CE1 3.9Å; Y143-Y154 HydrophobicContact CE2-CE1 3.9Å; Y143-F158 HydrophobicContact CD1-CB 4.1Å; Y143-F158 AromaticContact CD1-CD2 3.73Å; Y143-F158 HydrophobicContact CD1-CD2 3.73Å; Y143-F158 HydrophobicContact CD1-CG 4.32Å; Y143-F158 HydrophobicContact CD2-CB 4.47Å; Y143-F158 HydrophobicContact CD2-CD2 4.33Å; Y143-F158 HydrophobicContact CE1-CB 3.81Å; Y143-F158 HydrophobicContact CE1-CD2 4.33Å; Y143-F158 HydrophobicContact CE1-CG 4.49Å; Y143-F158 HydrophobicContact CE2-CB 4.21Å; Y143-F158 HydrophobicContact CG-CB 4.39Å; Y143-F158 AromaticContact CG-CD2 3.71Å; Y143-F158 HydrophobicContact CG-CD2 3.71Å; Y143-F158 PolarHBondContact OH-N 3.16Å; Y143-F161 HydrophobicContact CD2-CB 3.71Å; Y143-F161 HydrophobicContact CD2-CD1 4.38Å; Y143-F161 HydrophobicContact CD2-CD2 4.19Å; Y143-F161 AromaticContact CD2-CG 3.84Å; Y143-F161 HydrophobicContact CD2-CG 3.84Å; Y143-F161 HydrophobicContact CE2-CB 4.39Å; Y143-F161 HydrophobicContact CG-CB 4.49Å; Y143-F161 HydrophobicContact CG-CG 4.42Å |
| 144 | Q | 88.8 | Confident | 82.7 | Confident | 99 Ų | 99 | 63.8 Ų | 63.8 | 46% | 0.463 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.5 | -41.6 | 179.3 | -65.6 | -66 | 4.3 | 0 | 0 | 111.7 | V140 S141 H146 R147 S148 | V140-Q144 WeakPolarHBondContact O-CG 3.32Å; V140-Q144 PolarHBondContact O-N 3.47Å; S141-Q144 PolarHBondContact O-N 3.34Å; Q144-H146 PolarHBondContact O-N 3.39Å; Q144-R147 PolarHBondContact O-N 3.12Å; Q144-R147 VanDerWaalsContact O-N 3.11Å; Q144-S148 PolarHBondContact O-N 2.88Å; Q144-S148 PolarHBondContact O-OG 3.26Å |
| 145 | F | 85.5 | Confident | 81.9 | Confident | 58 Ų | 58 | 70.9 Ų | 70.9 | 25% | 0.254 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -60.2 | -42.7 | 175.2 | 178.7 | -105.5 | 0 | 0 | 0 | 113.1 | K55 S141 Y142 Y143 R147 S148 L149 | K55-F145 HydrophobicContact CD-CB 3.9Å; K55-F145 HydrophobicContact CD-CD1 4.03Å; K55-F145 HydrophobicContact CD-CD2 3.89Å; K55-F145 HydrophobicContact CD-CE1 4.44Å; K55-F145 HydrophobicContact CD-CE2 4.32Å; K55-F145 HydrophobicContact CD-CG 3.68Å; K55-F145 HydrophobicContact CG-CB 4.21Å; K55-F145 HydrophobicContact CG-CD1 4.39Å; K55-F145 HydrophobicContact CG-CG 4.31Å; S141-F145 WeakPolarHBondContact O-CB 3.34Å; S141-F145 PolarHBondContact O-N 3.37Å; Y142-F145 HydrophobicContact CD2-CD1 4.11Å; Y142-F145 HydrophobicContact CE2-CD1 4.13Å; Y143-F145 VanDerWaalsContact C-N 3.33Å; Y143-F145 PolarHBondContact O-N 3.31Å; F145-R147 PolarHBondContact O-N 3.18Å; F145-S148 PolarHBondContact O-N 3.29Å; F145-S148 PolarHBondContact O-OG 3.25Å; F145-L149 HydrophobicContact CD1-CD1 3.88Å; F145-L149 HydrophobicContact CD2-CD1 4Å; F145-L149 HydrophobicContact CD2-CG 4.29Å; F145-L149 HydrophobicContact CE1-CD1 3.33Å; F145-L149 HydrophobicContact CE2-CD1 3.47Å; F145-L149 VanDerWaalsContact CE2-CD1 3.47Å; F145-L149 HydrophobicContact CE2-CG 4.01Å; F145-L149 HydrophobicContact CG-CD1 4.21Å; F145-L149 HydrophobicContact CZ-CD1 3.13Å; F145-L149 HydrophobicContact CZ-CG 4.16Å; F145-L149 WeakPolarHBondContact O-CB 3.42Å; F145-L149 PolarHBondContact O-N 3.38Å; F145-L149 VanDerWaalsContact O-N 3.09Å |
| 146 | H | 82.1 | Confident | 81.3 | Confident | 1 Ų | 1 | 70.4 Ų | 70.4 | 1% | 0.005 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -65.1 | -24.8 | 175.8 | -88.2 | 85 | 0 | 0 | 0 | 113.4 | F15 Y142 Y143 Q144 M152 Y154 F161 | F15-H146 AromaticContact CZ-CD2 3.82Å; F15-H146 AromaticContact CZ-NE2 3.69Å; Y142-H146 AromaticContact CD2-CE1 3.41Å; Y142-H146 VanDerWaalsContact CD2-CE1 3.41Å; Y142-H146 WeakPolarHBondContact CD2-CE1 3.31Å; Y142-H146 AromaticContact CD2-ND1 3.23Å; Y142-H146 WeakPolarHBondContact CD2-ND1 3.35Å; Y142-H146 AromaticContact CE2-CE1 3.01Å; Y142-H146 WeakPolarHBondContact CE2-CE1 3.48Å; Y142-H146 AromaticContact CE2-ND1 3.32Å; Y142-H146 VanDerWaalsContact CE2-ND1 3.32Å; Y142-H146 WeakPolarHBondContact CE2-ND1 3.41Å; Y142-H146 AromaticContact CZ-CE1 3.51Å; Y142-H146 PolarHBondContact O-N 2.91Å; Y142-H146 VanDerWaalsContact O-N 3.07Å; Y142-H146 PolarHBondContact O-ND1 3.35Å; Y143-H146 PolarHBondContact O-N 3.24Å; Q144-H146 PolarHBondContact O-N 3.39Å; H146-M152 HydrophobicContact CB-CG 4.35Å; H146-M152 WeakPolarHBondContact CD2-CG 3.5Å; H146-Y154 HydrophobicContact CB-CG 4.43Å; H146-Y154 PolarHBondContact O-N 2.74Å; H146-F161 HydrophobicContact CB-CE2 4.09Å; H146-F161 AromaticContact CD2-CE2 3.96Å; H146-F161 AromaticContact CE1-CE2 3.74Å; H146-F161 AromaticContact CE1-CZ 3.73Å; H146-F161 AromaticContact CG-CE2 3.66Å; H146-F161 AromaticContact ND1-CE2 3.53Å; H146-F161 AromaticContact ND1-CZ 3.51Å |
| 147 | R | 79.1 | Confident | 81.1 | Confident | 139 Ų | 139 | 66.6 Ų | 66.6 | 53% | 0.525 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -85 | -36.9 | 176 | -70.4 | -173.8 | 67.7 | -159.5 | 4.1 | 113 | Y143 Q144 F145 | Y143-R147 HydrophobicContact CE2-CG 4.23Å; Y143-R147 WeakPolarHBondContact O-CG 3.47Å; Y143-R147 PolarHBondContact O-N 3.31Å; Y143-R147 VanDerWaalsContact O-N 3.17Å; Q144-R147 PolarHBondContact O-N 3.12Å; Q144-R147 VanDerWaalsContact O-N 3.11Å; F145-R147 PolarHBondContact O-N 3.18Å |
| 148 | S | 74.3 | Confident | 80.9 | Confident | 88 Ų | 88 | 66 Ų | 66 | 62% | 0.615 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -78 | -31.9 | -177.3 | 63.2 | 0 | 0 | 0 | 0 | 112.9 | Q144 F145 R150 | Q144-S148 PolarHBondContact O-N 2.88Å; Q144-S148 PolarHBondContact O-OG 3.26Å; F145-S148 PolarHBondContact O-N 3.29Å; F145-S148 PolarHBondContact O-OG 3.25Å; S148-R150 PolarHBondContact O-N 3.37Å |
| 149 | L | 68 | Low | 81 | Confident | 56 Ų | 56 | 71.4 Ų | 71.4 | 29% | 0.293 | 35% | 0.348 | S | S | . | . | trans | -74.1 | 113 | 177.3 | -82 | 176.2 | 0 | 0 | 0 | 111.9 | F145 T151 M152 S153 | F145-L149 HydrophobicContact CD1-CD1 3.88Å; F145-L149 HydrophobicContact CD2-CD1 4Å; F145-L149 HydrophobicContact CD2-CG 4.29Å; F145-L149 HydrophobicContact CE1-CD1 3.33Å; F145-L149 HydrophobicContact CE2-CD1 3.47Å; F145-L149 VanDerWaalsContact CE2-CD1 3.47Å; F145-L149 HydrophobicContact CE2-CG 4.01Å; F145-L149 HydrophobicContact CG-CD1 4.21Å; F145-L149 HydrophobicContact CZ-CD1 3.13Å; F145-L149 HydrophobicContact CZ-CG 4.16Å; F145-L149 WeakPolarHBondContact O-CB 3.42Å; F145-L149 PolarHBondContact O-N 3.38Å; F145-L149 VanDerWaalsContact O-N 3.09Å; L149-T151 PolarHBondContact O-N 3.27Å; L149-T151 VanDerWaalsContact O-N 3.17Å; L149-M152 HydrophobicContact CB-CB 3.96Å; L149-M152 PolarHBondContact O-N 2.78Å; L149-S153 PolarHBondContact O-N 2.99Å | ||
| 150 | R | 58.5 | Low | 80.8 | Confident | 223 Ų | 223 | 74.4 Ų | 74.4 | 84% | 0.842 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | -35.5 | 173.6 | -75.3 | -175.3 | 161.1 | -161.9 | -4.6 | 113.3 | T8 S148 M152 S153 | T8-R150 WeakPolarHBondContact CG2-O 3.24Å; S148-R150 PolarHBondContact O-N 3.37Å; R150-M152 VanDerWaalsContact C-N 3.29Å; R150-M152 PolarHBondContact O-N 3.12Å; R150-S153 PolarHBondContact O-OG 3.32Å |
| 151 | T | 57.1 | Low | 80.7 | Confident | 113 Ų | 113 | 71.3 Ų | 71.3 | 69% | 0.693 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -22.8 | 179.1 | 51.1 | 0 | 0 | 0 | 0 | 113.5 | L149 | L149-T151 PolarHBondContact O-N 3.27Å; L149-T151 VanDerWaalsContact O-N 3.17Å |
| 152 | M | 62.4 | Low | 80.9 | Confident | 52 Ų | 52 | 71.2 Ų | 71.2 | 26% | 0.256 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | -37.2 | -178.9 | -153.7 | 70.3 | 79.2 | 0 | 0 | 111.8 | F15 H146 L149 R150 Y154 | F15-M152 HydrophobicContact CE2-CG 4.01Å; F15-M152 HydrophobicContact CE2-SD 3.5Å; F15-M152 VanDerWaalsContact CE2-SD 3.5Å; F15-M152 HydrophobicContact CZ-CG 4.11Å; F15-M152 HydrophobicContact CZ-SD 3.58Å; F15-M152 VanDerWaalsContact CZ-SD 3.58Å; H146-M152 HydrophobicContact CB-CG 4.35Å; H146-M152 WeakPolarHBondContact CD2-CG 3.5Å; L149-M152 HydrophobicContact CB-CB 3.96Å; L149-M152 PolarHBondContact O-N 2.78Å; R150-M152 VanDerWaalsContact C-N 3.29Å; R150-M152 PolarHBondContact O-N 3.12Å; M152-Y154 PolarHBondContact O-N 3.16Å |
| 153 | S | 65.8 | Low | 81 | Confident | 34 Ų | 34 | 76.8 Ų | 76.8 | 24% | 0.238 | 36% | 0.362 | C | S | . | . | trans | 40.3 | 41.6 | 172 | -74.6 | 0 | 0 | 0 | 0 | 114.7 | L149 R150 R155 | L149-S153 PolarHBondContact O-N 2.99Å; R150-S153 PolarHBondContact O-OG 3.32Å; S153-R155 PolarHBondContact O-N 3.08Å | ||
| 154 | Y | 76 | Confident | 81.1 | Confident | 15 Ų | 15 | 76 Ų | 76 | 6% | 0.059 | 36% | 0.36 | C | S | . | . | trans | -66.6 | 122.1 | -178 | -178.2 | -107.6 | 0 | 0 | 0 | 110.6 | Y143 H146 M152 G156 F161 | Y143-Y154 HydrophobicContact CD2-CD1 4.17Å; Y143-Y154 HydrophobicContact CD2-CE1 4.07Å; Y143-Y154 HydrophobicContact CE2-CD1 4.05Å; Y143-Y154 AromaticContact CE2-CE1 3.9Å; Y143-Y154 HydrophobicContact CE2-CE1 3.9Å; H146-Y154 HydrophobicContact CB-CG 4.43Å; H146-Y154 PolarHBondContact O-N 2.74Å; M152-Y154 PolarHBondContact O-N 3.16Å; Y154-G156 WeakPolarHBondContact CE1-O 3.35Å; Y154-G156 VanDerWaalsContact CZ-CA 3.49Å; Y154-F161 HydrophobicContact CD1-CD2 4.04Å; Y154-F161 HydrophobicContact CE1-CB 3.93Å; Y154-F161 AromaticContact CE1-CD2 3.72Å; Y154-F161 HydrophobicContact CE1-CD2 3.72Å; Y154-F161 HydrophobicContact CE1-CG 4.28Å; Y154-F161 PolarHBondContact OH-N 3.2Å | ||
| 155 | R | 80.2 | Confident | 81.3 | Confident | 207 Ų | 207 | 71.8 Ų | 71.8 | 78% | 0.781 | 34% | 0.34 | S | S | * | . | trans | -105.6 | 1.1 | -178.8 | -65.9 | -175.1 | 176.6 | -178.1 | -0.3 | 114.4 | S153 | S153-R155 PolarHBondContact O-N 3.08Š| ||
| 156 | G | 83.3 | Confident | 81.8 | Confident | 18 Ų | 18 | 73.9 Ų | 73.9 | 19% | 0.186 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -74.2 | 167.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y154 | Y154-G156 WeakPolarHBondContact CE1-O 3.35Å; Y154-G156 VanDerWaalsContact CZ-CA 3.49Å |
| 157 | T | 91.2 | Very high | 82.3 | Confident | 77 Ų | 77 | 78.5 Ų | 78.5 | 47% | 0.472 | 38% | 0.376 | S | S | . | . | trans | -76.2 | 161.9 | 177.7 | 66.9 | 0 | 0 | 0 | 0 | 111.8 | Q159 E160 F161 | T157-Q159 VanDerWaalsContact C-N 3.3Å; T157-Q159 PolarHBondContact O-N 2.95Å; T157-E160 PolarHBondContact O-N 3.45Å; T157-E160 PolarHBondContact OG1-N 2.87Å; T157-F161 PolarHBondContact O-N 3.18Å | ||
| 158 | F | 91.9 | Very high | 83 | Confident | 66 Ų | 66 | 75 Ų | 75 | 29% | 0.289 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -60.3 | -39.6 | 173.6 | 175.6 | -114.2 | 0 | 0 | 0 | 112.1 | V139 V140 Y143 E160 F161 C162 | V139-F158 HydrophobicContact CG1-CE2 4.28Å; V139-F158 HydrophobicContact CG1-CZ 4.16Å; V139-F158 HydrophobicContact CG2-CE2 4.43Å; V140-F158 HydrophobicContact CB-CE2 4.49Å; V140-F158 HydrophobicContact CG2-CE2 3.88Å; V140-F158 HydrophobicContact CG2-CZ 3.65Å; Y143-F158 HydrophobicContact CD1-CB 4.1Å; Y143-F158 AromaticContact CD1-CD2 3.73Å; Y143-F158 HydrophobicContact CD1-CD2 3.73Å; Y143-F158 HydrophobicContact CD1-CG 4.32Å; Y143-F158 HydrophobicContact CD2-CB 4.47Å; Y143-F158 HydrophobicContact CD2-CD2 4.33Å; Y143-F158 HydrophobicContact CE1-CB 3.81Å; Y143-F158 HydrophobicContact CE1-CD2 4.33Å; Y143-F158 HydrophobicContact CE1-CG 4.49Å; Y143-F158 HydrophobicContact CE2-CB 4.21Å; Y143-F158 HydrophobicContact CG-CB 4.39Å; Y143-F158 AromaticContact CG-CD2 3.71Å; Y143-F158 HydrophobicContact CG-CD2 3.71Å; Y143-F158 PolarHBondContact OH-N 3.16Å; F158-E160 VanDerWaalsContact C-N 3.28Å; F158-E160 PolarHBondContact O-N 2.73Å; F158-F161 PolarHBondContact O-N 3.03Å; F158-C162 WeakPolarHBondContact O-CB 3.49Å; F158-C162 PolarHBondContact O-N 3.47Å |
| 159 | Q | 94.8 | Very high | 83.8 | Confident | 114 Ų | 114 | 75.2 Ų | 75.2 | 53% | 0.533 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -60.7 | -40.9 | 178.2 | -65.6 | 80.8 | 0.5 | 0 | 0 | 111.1 | T157 C162 R163 | T157-Q159 VanDerWaalsContact C-N 3.3Å; T157-Q159 PolarHBondContact O-N 2.95Å; Q159-C162 PolarHBondContact O-N 3.48Å; Q159-R163 WeakPolarHBondContact O-CG 3.47Å; Q159-R163 PolarHBondContact O-N 3.48Å |
| 160 | E | 91.6 | Very high | 84.9 | Confident | 70 Ų | 70 | 72.6 Ų | 72.6 | 33% | 0.327 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -68.9 | -41.7 | 176.8 | -168.6 | 52.6 | -145 | 0 | 0 | 111.8 | T157 F158 C162 R163 R164 | T157-E160 PolarHBondContact O-N 3.45Å; T157-E160 PolarHBondContact OG1-N 2.87Å; F158-E160 VanDerWaalsContact C-N 3.28Å; F158-E160 PolarHBondContact O-N 2.73Å; E160-C162 VanDerWaalsContact C-N 3.3Å; E160-C162 PolarHBondContact O-N 3.27Å; E160-R163 PolarHBondContact O-N 3.19Å; E160-R163 IonicContact OE2-NH1 3.09Å; E160-R163 PolarHBondContact OE2-NH1 2.85Å; E160-R163 VanDerWaalsContact OE2-NH1 3.09Å; E160-R164 WeakPolarHBondContact O-CG 3.4Å; E160-R164 PolarHBondContact O-N 2.83Å |
| 161 | F | 91.1 | Very high | 86.4 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.1 | -41.3 | 174.4 | -166.9 | -89.2 | 0 | 0 | 0 | 112.1 | V139 Y142 Y143 H146 Y154 T157 F158 R164 F165 L170 | V139-F161 HydrophobicContact CG2-CD1 3.85Å; V139-F161 HydrophobicContact CG2-CE1 4.03Å; Y142-F161 HydrophobicContact CD1-CE1 4.47Å; Y142-F161 HydrophobicContact CD1-CZ 4.23Å; Y142-F161 HydrophobicContact CD2-CZ 4.28Å; Y142-F161 HydrophobicContact CG-CE1 4.22Å; Y142-F161 AromaticContact CG-CZ 3.91Å; Y142-F161 HydrophobicContact CG-CZ 3.91Å; Y143-F161 HydrophobicContact CD2-CB 3.71Å; Y143-F161 HydrophobicContact CD2-CD1 4.38Å; Y143-F161 HydrophobicContact CD2-CD2 4.19Å; Y143-F161 AromaticContact CD2-CG 3.84Å; Y143-F161 HydrophobicContact CD2-CG 3.84Å; Y143-F161 HydrophobicContact CE2-CB 4.39Å; Y143-F161 HydrophobicContact CG-CB 4.49Å; Y143-F161 HydrophobicContact CG-CG 4.42Å; H146-F161 HydrophobicContact CB-CE2 4.09Å; H146-F161 AromaticContact CD2-CE2 3.96Å; H146-F161 AromaticContact CE1-CE2 3.74Å; H146-F161 AromaticContact CE1-CZ 3.73Å; H146-F161 AromaticContact CG-CE2 3.66Å; H146-F161 AromaticContact ND1-CE2 3.53Å; H146-F161 AromaticContact ND1-CZ 3.51Å; Y154-F161 HydrophobicContact CD1-CD2 4.04Å; Y154-F161 HydrophobicContact CE1-CB 3.93Å; Y154-F161 AromaticContact CE1-CD2 3.72Å; Y154-F161 HydrophobicContact CE1-CD2 3.72Å; Y154-F161 HydrophobicContact CE1-CG 4.28Å; Y154-F161 PolarHBondContact OH-N 3.2Å; T157-F161 PolarHBondContact O-N 3.18Å; F158-F161 PolarHBondContact O-N 3.03Å; F161-R164 WeakPolarHBondContact O-CB 3.45Å; F161-R164 PolarHBondContact O-N 3.42Å; F161-F165 PolarHBondContact O-N 2.87Å; F161-L170 HydrophobicContact CD2-CD2 4.43Å; F161-L170 HydrophobicContact CE1-CD1 3.76Å; F161-L170 HydrophobicContact CE1-CD2 4.46Å; F161-L170 HydrophobicContact CE2-CD2 3.89Å; F161-L170 HydrophobicContact CZ-CD1 3.71Å; F161-L170 HydrophobicContact CZ-CD2 3.91Å |
| 162 | C | 94.3 | Very high | 88.2 | Confident | 30 Ų | 30 | 57.3 Ų | 57.3 | 20% | 0.203 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.3 | -39.9 | 176.8 | -170 | 0 | 0 | 0 | 0 | 112 | F158 Q159 E160 R164 F165 M166 | F158-C162 WeakPolarHBondContact O-CB 3.49Å; F158-C162 PolarHBondContact O-N 3.47Å; Q159-C162 PolarHBondContact O-N 3.48Å; E160-C162 VanDerWaalsContact C-N 3.3Å; E160-C162 PolarHBondContact O-N 3.27Å; C162-R164 VanDerWaalsContact C-N 3.33Å; C162-R164 PolarHBondContact O-N 3.41Å; C162-F165 WeakPolarHBondContact O-CB 3.39Å; C162-F165 PolarHBondContact O-N 3.48Å; C162-M166 WeakPolarHBondContact O-CG 3.27Å; C162-M166 PolarHBondContact O-N 3.41Å |
| 163 | R | 94.3 | Very high | 89.8 | Confident | 125 Ų | 125 | 55.1 Ų | 55.1 | 47% | 0.472 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61 | -43.1 | 171.5 | -71.9 | -177 | -166.5 | 105.8 | 4.9 | 111.8 | Q159 E160 F165 M166 N167 | Q159-R163 WeakPolarHBondContact O-CG 3.47Å; Q159-R163 PolarHBondContact O-N 3.48Å; E160-R163 PolarHBondContact O-N 3.19Å; E160-R163 IonicContact OE2-NH1 3.09Å; E160-R163 PolarHBondContact OE2-NH1 2.85Å; E160-R163 VanDerWaalsContact OE2-NH1 3.09Å; R163-F165 VanDerWaalsContact C-N 3.32Å; R163-F165 PolarHBondContact O-N 3.27Å; R163-M166 HydrophobicContact CG-CE 4.32Å; R163-M166 PolarHBondContact O-N 3.16Å; R163-N167 VanDerWaalsContact O-CB 3.31Å; R163-N167 WeakPolarHBondContact O-CB 3.27Å; R163-N167 PolarHBondContact O-N 3.43Å; R163-N167 PolarHBondContact O-ND2 3.09Å |
| 164 | R | 91.9 | Very high | 91.3 | Very high | 12 Ų | 12 | 54 Ų | 54 | 5% | 0.045 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.2 | -39.4 | 175.6 | -68.3 | 179.2 | 63.2 | -148.4 | -12.5 | 112.2 | E160 F161 C162 N167 D168 K169 L170 | E160-R164 WeakPolarHBondContact O-CG 3.4Å; E160-R164 PolarHBondContact O-N 2.83Å; F161-R164 WeakPolarHBondContact O-CB 3.45Å; F161-R164 PolarHBondContact O-N 3.42Å; C162-R164 VanDerWaalsContact C-N 3.33Å; C162-R164 PolarHBondContact O-N 3.41Å; R164-N167 PolarHBondContact O-N 3.13Å; R164-D168 PolarHBondContact O-N 2.99Å; R164-K169 HydrophobicContact CB-CB 4.12Å; R164-K169 HydrophobicContact CG-CB 4.45Å; R164-K169 PolarHBondContact NH2-O 3.34Å; R164-K169 PolarHBondContact O-N 3.32Å; R164-L170 HydrophobicContact CB-CD2 3.99Å |
| 165 | F | 94.4 | Very high | 92.3 | Very high | 10 Ų | 10 | 54.5 Ų | 54.5 | 4% | 0.044 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.9 | -49.6 | 172.8 | 174.2 | -95.7 | 0 | 0 | 0 | 112 | Y53 P135 L138 V139 F161 C162 R163 N167 D168 L170 W175 F176 | Y53-F165 HydrophobicContact CE1-CE2 4.46Å; P135-F165 HydrophobicContact CB-CE1 4.09Å; P135-F165 HydrophobicContact CB-CZ 3.82Å; L138-F165 HydrophobicContact CD2-CE2 3.97Å; V139-F165 HydrophobicContact CB-CD1 4.32Å; V139-F165 HydrophobicContact CB-CD2 4.33Å; V139-F165 HydrophobicContact CB-CG 4.18Å; V139-F165 HydrophobicContact CG2-CB 3.73Å; V139-F165 HydrophobicContact CG2-CD1 4.19Å; V139-F165 HydrophobicContact CG2-CD2 4.17Å; V139-F165 HydrophobicContact CG2-CG 3.77Å; F161-F165 PolarHBondContact O-N 2.87Å; C162-F165 WeakPolarHBondContact O-CB 3.39Å; C162-F165 PolarHBondContact O-N 3.48Å; R163-F165 VanDerWaalsContact C-N 3.32Å; R163-F165 PolarHBondContact O-N 3.27Å; F165-N167 PolarHBondContact O-N 3.47Å; F165-D168 PolarHBondContact O-N 3.49Å; F165-L170 HydrophobicContact CB-CD1 3.86Å; F165-L170 HydrophobicContact CB-CG 4.45Å; F165-L170 HydrophobicContact CD2-CD1 3.9Å; F165-L170 HydrophobicContact CG-CD1 4.39Å; F165-W175 HydrophobicContact CE2-CB 3.48Å; F165-W175 VanDerWaalsContact CE2-CB 3.48Å; F165-W175 AromaticContact CE2-CG 3.96Å; F165-W175 HydrophobicContact CE2-CG 3.96Å; F165-W175 HydrophobicContact CZ-CB 3.58Å; F165-W175 HydrophobicContact CZ-CD2 4.09Å; F165-W175 HydrophobicContact CZ-CE3 4.3Å; F165-W175 AromaticContact CZ-CG 3.78Å; F165-W175 HydrophobicContact CZ-CG 3.78Å; F165-F176 HydrophobicContact CE1-CE2 4.43Å; F165-F176 HydrophobicContact CE1-CZ 4.48Å |
| 166 | M | 95.1 | Very high | 93.2 | Very high | 102 Ų | 102 | 48.6 Ų | 48.6 | 50% | 0.502 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -68.9 | -20.9 | -179.1 | -67.8 | -177.5 | -64.7 | 0 | 0 | 114 | C162 R163 | C162-M166 WeakPolarHBondContact O-CG 3.27Å; C162-M166 PolarHBondContact O-N 3.41Å; R163-M166 HydrophobicContact CG-CE 4.32Å; R163-M166 PolarHBondContact O-N 3.16Å |
| 167 | N | 94 | Very high | 93.9 | Very high | 98 Ų | 98 | 52.6 Ų | 52.6 | 52% | 0.524 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.3 | 18.2 | -179.8 | -63.7 | -34.6 | 0 | 0 | 0 | 112.6 | R163 R164 F165 K169 | R163-N167 VanDerWaalsContact O-CB 3.31Å; R163-N167 WeakPolarHBondContact O-CB 3.27Å; R163-N167 PolarHBondContact O-N 3.43Å; R163-N167 PolarHBondContact O-ND2 3.09Å; R164-N167 PolarHBondContact O-N 3.13Å; F165-N167 PolarHBondContact O-N 3.47Å; N167-K169 VanDerWaalsContact C-N 3.25Å; N167-K169 HydrophobicContact CB-CG 4.17Å; N167-K169 WeakPolarHBondContact O-CD 3.42Å; N167-K169 WeakPolarHBondContact O-CE 3.26Å; N167-K169 VanDerWaalsContact O-CG 3.32Å; N167-K169 WeakPolarHBondContact O-CG 2.93Å; N167-K169 PolarHBondContact O-N 3.41Å |
| 168 | D | 93.1 | Very high | 94.2 | Very high | 66 Ų | 66 | 49.1 Ų | 49.1 | 35% | 0.353 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.1 | 32.1 | 175.4 | -45.5 | -46.6 | 0 | 0 | 0 | 114.2 | R164 F165 S174 | R164-D168 PolarHBondContact O-N 2.99Å; F165-D168 PolarHBondContact O-N 3.49Å; D168-S174 VanDerWaalsContact CG-CB 3.47Å; D168-S174 VanDerWaalsContact OD1-CA 3.3Å; D168-S174 WeakPolarHBondContact OD1-CA 3.41Å; D168-S174 WeakPolarHBondContact OD1-CB 3.4Å; D168-S174 PolarHBondContact OD1-OG 3.08Å |
| 169 | K | 90.6 | Very high | 94.6 | Very high | 92 Ų | 92 | 46.9 Ų | 46.9 | 40% | 0.4 | 22% | 0.224 | S | C | . | . | trans | -98.9 | 10.9 | -176.8 | -57.4 | -52.2 | 179.5 | -174.2 | 0 | 114.4 | R26 R164 N167 | R26-K169 PolarHBondContact NH1-O 3.45Å; R26-K169 VanDerWaalsContact NH1-O 3.08Å; R164-K169 HydrophobicContact CB-CB 4.12Å; R164-K169 HydrophobicContact CG-CB 4.45Å; R164-K169 PolarHBondContact NH2-O 3.34Å; R164-K169 PolarHBondContact O-N 3.32Å; N167-K169 VanDerWaalsContact C-N 3.25Å; N167-K169 HydrophobicContact CB-CG 4.17Å; N167-K169 WeakPolarHBondContact O-CD 3.42Å; N167-K169 WeakPolarHBondContact O-CE 3.26Å; N167-K169 VanDerWaalsContact O-CG 3.32Å; N167-K169 WeakPolarHBondContact O-CG 2.93Å; N167-K169 PolarHBondContact O-N 3.41Å | ||
| 170 | L | 90.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -94.4 | 169.7 | 175 | -60.7 | -170.6 | 0 | 0 | 0 | 111.6 | R26 Y142 F161 R164 F165 G173 | R26-L170 WeakPolarHBondContact CD-O 3.36Å; Y142-L170 HydrophobicContact CD1-CD1 3.76Å; Y142-L170 HydrophobicContact CE1-CB 4.3Å; Y142-L170 HydrophobicContact CE1-CD1 3.81Å; F161-L170 HydrophobicContact CD2-CD2 4.43Å; F161-L170 HydrophobicContact CE1-CD1 3.76Å; F161-L170 HydrophobicContact CE1-CD2 4.46Å; F161-L170 HydrophobicContact CE2-CD2 3.89Å; F161-L170 HydrophobicContact CZ-CD1 3.71Å; F161-L170 HydrophobicContact CZ-CD2 3.91Å; R164-L170 HydrophobicContact CB-CD2 3.99Å; F165-L170 HydrophobicContact CB-CD1 3.86Å; F165-L170 HydrophobicContact CB-CG 4.45Å; F165-L170 HydrophobicContact CD2-CD1 3.9Å; F165-L170 HydrophobicContact CG-CD1 4.39Å; L170-G173 PolarHBondContact O-N 2.69Å |
| 171 | A | 90.8 | Very high | 95 | Very high | 8 Ų | 8 | 44.9 Ų | 44.9 | 7% | 0.066 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | 147.2 | 173 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y19 R26 P28 Y53 G173 | Y19-A171 HydrophobicContact CE1-CB 3.74Å; R26-A171 CarbonylContact O-C 3.5Å; P28-A171 HydrophobicContact CG-CB 4.14Å; Y53-A171 PolarHBondContact OH-O 3.34Å; A171-G173 PolarHBondContact O-N 3.17Å |
| 172 | Y | 95.4 | Very high | 95.4 | Very high | 8 Ų | 8 | 44.9 Ų | 44.9 | 3% | 0.031 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.5 | 14.9 | -174.5 | -50.7 | -84.6 | 0 | 0 | 0 | 114.7 | R26 L27 P28 P54 E90 H111 L112 | R26-Y172 WeakPolarHBondContact O-CA 3.4Å; R26-Y172 PolarHBondContact O-N 3.49Å; L27-Y172 HydrophobicContact CD2-CD1 3.96Å; P28-Y172 HydrophobicContact CG-CD2 4.42Å; P28-Y172 HydrophobicContact CG-CE1 4.14Å; P28-Y172 HydrophobicContact CG-CE2 3.74Å; P54-Y172 HydrophobicContact CG-CD2 3.29Å; P54-Y172 HydrophobicContact CG-CE2 3.7Å; P54-Y172 HydrophobicContact CG-CG 4.12Å; E90-Y172 HydrophobicContact CG-CE1 4.27Å; E90-Y172 WeakPolarHBondContact OE1-CE1 3.46Å; E90-Y172 PolarHBondContact OE1-OH 3.4Å; H111-Y172 HydrophobicContact CB-CD1 3.75Å; H111-Y172 HydrophobicContact CB-CD2 4.05Å; H111-Y172 HydrophobicContact CB-CE1 3.49Å; H111-Y172 VanDerWaalsContact CB-CE1 3.49Å; H111-Y172 HydrophobicContact CB-CE2 3.77Å; H111-Y172 HydrophobicContact CB-CG 4Å; H111-Y172 VanDerWaalsContact CB-CZ 3.47Å; H111-Y172 WeakPolarHBondContact O-CD1 3.32Å; L112-Y172 HydrophobicContact CD2-CD1 4.24Å; L112-Y172 HydrophobicContact CD2-CE1 4.1Å |
| 173 | G | 95.1 | Very high | 95.6 | Very high | 6 Ų | 6 | 48.7 Ų | 48.7 | 6% | 0.062 | 23% | 0.225 | C | C | . | . | S | Bend | trans | 76.7 | -146.3 | 169.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | R26 Y53 L170 A171 | R26-G173 PolarHBondContact O-N 3.1Å; Y53-G173 PolarHBondContact OH-O 3.28Å; L170-G173 PolarHBondContact O-N 2.69Å; A171-G173 PolarHBondContact O-N 3.17Å |
| 174 | S | 97.6 | Very high | 95.8 | Very high | 9 Ų | 9 | 49.4 Ų | 49.4 | 6% | 0.063 | 23% | 0.233 | C | C | . | . | trans | -75.1 | 125.2 | -179.8 | -170.6 | 0 | 0 | 0 | 0 | 110.9 | D168 F176 H178 | D168-S174 VanDerWaalsContact CG-CB 3.47Å; D168-S174 VanDerWaalsContact OD1-CA 3.3Å; D168-S174 WeakPolarHBondContact OD1-CA 3.41Å; D168-S174 WeakPolarHBondContact OD1-CB 3.4Å; D168-S174 PolarHBondContact OD1-OG 3.08Å; S174-F176 PolarHBondContact O-N 3.2Å; S174-F176 PolarHBondContact OG-N 3.24Å; S174-H178 VanDerWaalsContact O-CB 3.24Å; S174-H178 WeakPolarHBondContact O-CB 3.34Å; S174-H178 PolarHBondContact O-N 3.18Å | ||
| 175 | W | 97.9 | Very high | 96 | Very high | 26 Ų | 26 | 51.3 Ų | 51.3 | 10% | 0.098 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59.3 | -35.3 | 169.4 | 171.9 | 84.6 | 0 | 0 | 0 | 111.9 | Y53 R133 P135 L138 F165 H178 V179 | Y53-W175 HydrophobicContact CD1-CB 4.46Å; Y53-W175 AromaticContact CD1-CD1 3.79Å; Y53-W175 HydrophobicContact CD2-CB 4.28Å; Y53-W175 HydrophobicContact CE1-CB 4.21Å; Y53-W175 HydrophobicContact CE2-CB 4.03Å; Y53-W175 HydrophobicContact CG-CB 4.47Å; Y53-W175 AromaticContact CG-CD1 3.69Å; Y53-W175 HydrophobicContact CG-CG 4.49Å; R133-W175 WeakPolarHBondContact O-CZ2 3.17Å; P135-W175 HydrophobicContact CB-CD2 3.88Å; P135-W175 HydrophobicContact CB-CE3 3.73Å; P135-W175 HydrophobicContact CB-CH2 3.76Å; P135-W175 HydrophobicContact CB-CZ2 3.88Å; P135-W175 HydrophobicContact CB-CZ3 3.67Å; P135-W175 VanDerWaalsContact CD-CH2 3.41Å; P135-W175 HydrophobicContact CG-CE3 4.19Å; P135-W175 HydrophobicContact CG-CH2 3.48Å; P135-W175 VanDerWaalsContact CG-CH2 3.48Å; P135-W175 HydrophobicContact CG-CZ2 3.97Å; P135-W175 HydrophobicContact CG-CZ3 3.6Å; L138-W175 VanDerWaalsContact CD1-CD1 3.46Å; F165-W175 HydrophobicContact CE2-CB 3.48Å; F165-W175 VanDerWaalsContact CE2-CB 3.48Å; F165-W175 AromaticContact CE2-CG 3.96Å; F165-W175 HydrophobicContact CE2-CG 3.96Å; F165-W175 HydrophobicContact CZ-CB 3.58Å; F165-W175 HydrophobicContact CZ-CD2 4.09Å; F165-W175 HydrophobicContact CZ-CE3 4.3Å; F165-W175 AromaticContact CZ-CG 3.78Å; F165-W175 HydrophobicContact CZ-CG 3.78Å; W175-H178 PolarHBondContact O-N 2.99Å; W175-V179 HydrophobicContact CD2-CG1 4.35Å; W175-V179 HydrophobicContact CE3-CG1 4.34Å; W175-V179 HydrophobicContact CH2-CG1 3.92Å; W175-V179 HydrophobicContact CZ2-CB 4.3Å; W175-V179 HydrophobicContact CZ2-CG1 3.94Å; W175-V179 HydrophobicContact CZ2-CG2 4.43Å; W175-V179 HydrophobicContact CZ3-CG1 4.13Å; W175-V179 WeakPolarHBondContact O-CG1 3.4Å; W175-V179 PolarHBondContact O-N 3.12Å |
| 176 | F | 97.8 | Very high | 96.2 | Very high | 84 Ų | 84 | 55.1 Ų | 55.1 | 37% | 0.368 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -67.1 | -48 | -177 | -60.4 | -82.2 | 0 | 0 | 0 | 111.3 | F165 S174 V179 Q180 | F165-F176 HydrophobicContact CE1-CE2 4.43Å; F165-F176 HydrophobicContact CE1-CZ 4.48Å; S174-F176 PolarHBondContact O-N 3.2Å; S174-F176 PolarHBondContact OG-N 3.24Å; F176-V179 WeakPolarHBondContact O-CG1 3.2Å; F176-Q180 VanDerWaalsContact O-CB 3.3Å; F176-Q180 WeakPolarHBondContact O-CB 3.47Å; F176-Q180 VanDerWaalsContact O-CD 3.31Å; F176-Q180 WeakPolarHBondContact O-CG 3.43Å; F176-Q180 PolarHBondContact O-N 2.97Å; F176-Q180 VanDerWaalsContact O-N 3.1Å |
| 177 | E | 98.2 | Very high | 96.3 | Very high | 102 Ų | 102 | 57 Ų | 57 | 48% | 0.477 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -63.9 | -44.6 | 174.9 | -62.6 | -179.5 | 165.5 | 0 | 0 | 110.6 | V179 Q180 E181 | E177-V179 PolarHBondContact O-N 3.01Å; E177-Q180 PolarHBondContact O-N 3Å; E177-E181 WeakPolarHBondContact O-CB 3.45Å; E177-E181 PolarHBondContact O-N 2.97Å |
| 178 | H | 98.5 | Very high | 96.5 | Very high | 3 Ų | 3 | 55.1 Ų | 55.1 | 1% | 0.014 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -57.5 | -50.1 | -179.1 | -164.2 | -66.6 | 0 | 0 | 0 | 111.8 | Y53 H111 L112 Y130 S174 W175 F182 | Y53-H178 HydrophobicContact CD2-CB 3.84Å; Y53-H178 AromaticContact CD2-CD2 3.75Å; Y53-H178 AromaticContact CD2-CG 3.7Å; Y53-H178 HydrophobicContact CE2-CB 4.39Å; H111-H178 PolarHBondContact O-NE2 3.21Å; H111-H178 VanDerWaalsContact O-NE2 3.14Å; L112-H178 PolarHBondContact O-NE2 3.47Å; Y130-H178 AromaticContact CE2-CE1 3.66Å; Y130-H178 AromaticContact CE2-ND1 3.66Å; Y130-H178 AromaticContact CZ-ND1 3.84Å; Y130-H178 PolarHBondContact OH-ND1 3.4Å; S174-H178 VanDerWaalsContact O-CB 3.24Å; S174-H178 WeakPolarHBondContact O-CB 3.34Å; S174-H178 PolarHBondContact O-N 3.18Å; W175-H178 PolarHBondContact O-N 2.99Å; H178-F182 AromaticContact CE1-CD2 3.94Å; H178-F182 AromaticContact CE1-CE2 3.49Å; H178-F182 VanDerWaalsContact CE1-CE2 3.49Å; H178-F182 WeakPolarHBondContact CE1-CE2 3.28Å; H178-F182 AromaticContact ND1-CD2 3.82Å; H178-F182 AromaticContact ND1-CE2 3.82Å; H178-F182 WeakPolarHBondContact O-CD2 3.25Å; H178-F182 PolarHBondContact O-N 3.06Å |
| 179 | V | 98.4 | Very high | 96.6 | Very high | 19 Ų | 19 | 57.4 Ų | 57.4 | 12% | 0.115 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -69.8 | -34.4 | 179.7 | 71.4 | 0 | 0 | 0 | 0 | 112.6 | Y130 A132 W175 F176 E177 W183 F193 | Y130-V179 HydrophobicContact CE1-CG2 4.19Å; Y130-V179 WeakPolarHBondContact OH-CA 3.47Å; A132-V179 HydrophobicContact CB-CG2 3.87Å; W175-V179 HydrophobicContact CD2-CG1 4.35Å; W175-V179 HydrophobicContact CE3-CG1 4.34Å; W175-V179 HydrophobicContact CH2-CG1 3.92Å; W175-V179 HydrophobicContact CZ2-CB 4.3Å; W175-V179 HydrophobicContact CZ2-CG1 3.94Å; W175-V179 HydrophobicContact CZ2-CG2 4.43Å; W175-V179 HydrophobicContact CZ3-CG1 4.13Å; W175-V179 WeakPolarHBondContact O-CG1 3.4Å; W175-V179 PolarHBondContact O-N 3.12Å; F176-V179 WeakPolarHBondContact O-CG1 3.2Å; E177-V179 PolarHBondContact O-N 3.01Å; V179-W183 VanDerWaalsContact O-CB 3.24Å; V179-W183 WeakPolarHBondContact O-CB 3.3Å; V179-W183 PolarHBondContact O-N 3.43Å; V179-F193 HydrophobicContact CG2-CE2 4.32Å; V179-F193 HydrophobicContact CG2-CZ 3.98Å |
| 180 | Q | 98.4 | Very high | 97 | Very high | 111 Ų | 111 | 53.3 Ų | 53.3 | 52% | 0.519 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -66.4 | -42.5 | 179.1 | -76.6 | 169.8 | 17.8 | 0 | 0 | 111.5 | F176 E177 W183 E184 | F176-Q180 VanDerWaalsContact O-CB 3.3Å; F176-Q180 WeakPolarHBondContact O-CB 3.47Å; F176-Q180 VanDerWaalsContact O-CD 3.31Å; F176-Q180 WeakPolarHBondContact O-CG 3.43Å; F176-Q180 PolarHBondContact O-N 2.97Å; F176-Q180 VanDerWaalsContact O-N 3.1Å; E177-Q180 PolarHBondContact O-N 3Å; Q180-W183 CarbonylContact O-C 3.52Å; Q180-W183 WeakPolarHBondContact O-CA 3.43Å; Q180-W183 WeakPolarHBondContact O-CB 3.31Å; Q180-W183 PolarHBondContact O-N 3.03Å; Q180-W183 VanDerWaalsContact O-N 3.1Å; Q180-E184 WeakPolarHBondContact O-CG 3.2Å; Q180-E184 PolarHBondContact O-N 3.2Å |
| 181 | E | 97.9 | Very high | 97.3 | Very high | 31 Ų | 31 | 53.7 Ų | 53.7 | 15% | 0.145 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.5 | -52.6 | 179.1 | -163.3 | -175.9 | -165.8 | 0 | 0 | 111.1 | P113 Y114 R115 E177 W183 E184 H185 | P113-E181 VanDerWaalsContact CB-OE2 3.31Å; P113-E181 WeakPolarHBondContact CB-OE2 3.5Å; Y114-E181 PolarHBondContact N-OE2 3.21Å; R115-E181 WeakPolarHBondContact CA-OE1 3.32Å; R115-E181 WeakPolarHBondContact CB-OE1 3.3Å; R115-E181 WeakPolarHBondContact CG-OE1 2.82Å; R115-E181 PolarHBondContact N-OE1 3.46Å; E177-E181 WeakPolarHBondContact O-CB 3.45Å; E177-E181 PolarHBondContact O-N 2.97Å; E181-W183 PolarHBondContact O-N 3.25Å; E181-E184 PolarHBondContact O-N 3.44Å; E181-E184 VanDerWaalsContact O-N 3.15Å; E181-H185 PolarHBondContact O-CD2 3.37Å; E181-H185 VanDerWaalsContact O-CD2 3.29Å; E181-H185 PolarHBondContact O-N 2.96Å |
| 182 | F | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64 | -29.6 | 174.9 | -77.9 | -85.6 | 0 | 0 | 0 | 113.1 | V51 Y114 L117 V128 Y130 H178 H185 R186 F193 | V51-F182 HydrophobicContact CB-CE1 4.07Å; V51-F182 HydrophobicContact CB-CZ 4.04Å; V51-F182 HydrophobicContact CG1-CE1 3.95Å; V51-F182 HydrophobicContact CG1-CE2 4.03Å; V51-F182 HydrophobicContact CG1-CZ 3.38Å; V51-F182 HydrophobicContact CG2-CE1 4.49Å; Y114-F182 AromaticContact CD2-CD1 3.89Å; Y114-F182 HydrophobicContact CD2-CD1 3.89Å; Y114-F182 AromaticContact CD2-CE1 3.64Å; Y114-F182 HydrophobicContact CD2-CE1 3.64Å; Y114-F182 HydrophobicContact CD2-CZ 4.2Å; Y114-F182 HydrophobicContact CG-CE1 4.3Å; Y114-F182 HydrophobicContact CG-CZ 4.45Å; L117-F182 HydrophobicContact CD1-CE1 3.99Å; L117-F182 HydrophobicContact CD1-CZ 3.92Å; V128-F182 HydrophobicContact CG1-CE1 4.17Å; Y130-F182 HydrophobicContact CD1-CB 3.59Å; Y130-F182 HydrophobicContact CD1-CD1 4.45Å; Y130-F182 HydrophobicContact CD1-CG 4.01Å; Y130-F182 HydrophobicContact CD2-CB 3.81Å; Y130-F182 AromaticContact CD2-CD1 3.38Å; Y130-F182 HydrophobicContact CD2-CD1 3.38Å; Y130-F182 AromaticContact CD2-CD2 3.45Å; Y130-F182 HydrophobicContact CD2-CD2 3.45Å; Y130-F182 VanDerWaalsContact CD2-CD2 3.45Å; Y130-F182 AromaticContact CD2-CE1 3.73Å; Y130-F182 HydrophobicContact CD2-CE1 3.73Å; Y130-F182 AromaticContact CD2-CE2 3.81Å; Y130-F182 HydrophobicContact CD2-CE2 3.81Å; Y130-F182 AromaticContact CD2-CG 3.24Å; Y130-F182 HydrophobicContact CD2-CG 3.24Å; Y130-F182 AromaticContact CD2-CZ 3.96Å; Y130-F182 HydrophobicContact CD2-CZ 3.96Å; Y130-F182 HydrophobicContact CE1-CB 3.77Å; Y130-F182 HydrophobicContact CE1-CD2 4.48Å; Y130-F182 HydrophobicContact CE1-CG 4.22Å; Y130-F182 HydrophobicContact CE2-CB 4.02Å; Y130-F182 HydrophobicContact CE2-CD1 4.13Å; Y130-F182 AromaticContact CE2-CD2 3.28Å; Y130-F182 HydrophobicContact CE2-CD2 3.28Å; Y130-F182 HydrophobicContact CE2-CE1 4.46Å; Y130-F182 AromaticContact CE2-CE2 3.71Å; Y130-F182 HydrophobicContact CE2-CE2 3.71Å; Y130-F182 AromaticContact CE2-CG 3.54Å; Y130-F182 HydrophobicContact CE2-CG 3.54Å; Y130-F182 HydrophobicContact CE2-CZ 4.29Å; Y130-F182 HydrophobicContact CG-CB 3.58Å; Y130-F182 AromaticContact CG-CD1 3.56Å; Y130-F182 HydrophobicContact CG-CD1 3.56Å; Y130-F182 HydrophobicContact CG-CD2 4.15Å; Y130-F182 HydrophobicContact CG-CE1 4.28Å; Y130-F182 AromaticContact CG-CG 3.49Å; Y130-F182 HydrophobicContact CG-CG 3.49Å; Y130-F182 VanDerWaalsContact CG-CG 3.49Å; Y130-F182 AromaticContact CZ-CD2 3.83Å; H178-F182 AromaticContact CE1-CD2 3.94Å; H178-F182 AromaticContact CE1-CE2 3.49Å; H178-F182 VanDerWaalsContact CE1-CE2 3.49Å; H178-F182 WeakPolarHBondContact CE1-CE2 3.28Å; H178-F182 AromaticContact ND1-CD2 3.82Å; H178-F182 AromaticContact ND1-CE2 3.82Å; H178-F182 WeakPolarHBondContact O-CD2 3.25Å; H178-F182 PolarHBondContact O-N 3.06Å; F182-H185 PolarHBondContact O-N 2.91Å; F182-R186 PolarHBondContact O-N 2.87Å; F182-F193 HydrophobicContact CB-CD2 4.26Å; F182-F193 HydrophobicContact CB-CE2 4.23Å |
| 183 | W | 98.4 | Very high | 97.8 | Very high | 110 Ų | 110 | 55.7 Ų | 55.7 | 42% | 0.417 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -68 | -37.7 | 175.3 | -179.6 | -101.1 | 0 | 0 | 0 | 111.9 | V179 Q180 E181 H185 R186 F193 | V179-W183 VanDerWaalsContact O-CB 3.24Å; V179-W183 WeakPolarHBondContact O-CB 3.3Å; V179-W183 PolarHBondContact O-N 3.43Å; Q180-W183 CarbonylContact O-C 3.52Å; Q180-W183 WeakPolarHBondContact O-CA 3.43Å; Q180-W183 WeakPolarHBondContact O-CB 3.31Å; Q180-W183 PolarHBondContact O-N 3.03Å; Q180-W183 VanDerWaalsContact O-N 3.1Å; E181-W183 PolarHBondContact O-N 3.25Å; W183-H185 VanDerWaalsContact C-N 3.27Å; W183-H185 PolarHBondContact O-N 3.24Å; W183-R186 VanDerWaalsContact CD2-CD 3.48Å; W183-R186 VanDerWaalsContact CE3-CD 3.46Å; W183-R186 WeakPolarHBondContact O-CB 3.01Å; W183-R186 WeakPolarHBondContact O-CD 3.45Å; W183-R186 WeakPolarHBondContact O-CG 3.42Å; W183-R186 PolarHBondContact O-N 3.13Å; W183-R186 PolarHBondContact O-NH1 3.08Å; W183-F193 HydrophobicContact CB-CE2 4Å; W183-F193 AromaticContact CE3-CD1 3.83Å; W183-F193 HydrophobicContact CE3-CD1 3.83Å; W183-F193 HydrophobicContact CE3-CD2 4.1Å; W183-F193 AromaticContact CE3-CE1 3.65Å; W183-F193 HydrophobicContact CE3-CE1 3.65Å; W183-F193 AromaticContact CE3-CE2 3.9Å; W183-F193 HydrophobicContact CE3-CE2 3.9Å; W183-F193 HydrophobicContact CE3-CG 4.07Å; W183-F193 AromaticContact CE3-CZ 3.67Å; W183-F193 HydrophobicContact CE3-CZ 3.67Å; W183-F193 AromaticContact CZ3-CD1 3.89Å; W183-F193 HydrophobicContact CZ3-CD1 3.89Å; W183-F193 AromaticContact CZ3-CE1 3.88Å; W183-F193 HydrophobicContact CZ3-CE1 3.88Å; W183-F193 HydrophobicContact CZ3-CG 4.42Å; W183-F193 HydrophobicContact CZ3-CZ 4.37Å |
| 184 | E | 98.3 | Very high | 97.9 | Very high | 140 Ų | 140 | 55.9 Ų | 55.9 | 65% | 0.654 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -61.9 | -37.5 | 175.5 | -72.3 | 177.5 | 170.9 | 0 | 0 | 111.6 | Q180 E181 R186 | Q180-E184 WeakPolarHBondContact O-CG 3.2Å; Q180-E184 PolarHBondContact O-N 3.2Å; E181-E184 PolarHBondContact O-N 3.44Å; E181-E184 VanDerWaalsContact O-N 3.15Å; E184-R186 PolarHBondContact O-N 2.79Å |
| 185 | H | 97.9 | Very high | 97.8 | Very high | 53 Ų | 53 | 59.6 Ų | 59.6 | 25% | 0.245 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | 1.2 | 178.3 | -72.3 | -78.9 | 0 | 0 | 0 | 114.9 | Y114 E181 F182 W183 L187 D188 V191 | Y114-H185 AromaticContact CD1-CD2 3.51Å; Y114-H185 AromaticContact CD1-NE2 3.53Å; Y114-H185 HydrophobicContact CD2-CB 4.45Å; Y114-H185 AromaticContact CE1-CD2 3.5Å; Y114-H185 AromaticContact CE1-CE1 3.35Å; Y114-H185 WeakPolarHBondContact CE1-CE1 3.32Å; Y114-H185 AromaticContact CE1-CG 3.67Å; Y114-H185 AromaticContact CE1-ND1 3.57Å; Y114-H185 AromaticContact CE1-NE2 3.32Å; Y114-H185 VanDerWaalsContact CE1-NE2 3.32Å; Y114-H185 WeakPolarHBondContact CE1-NE2 3.27Å; Y114-H185 HydrophobicContact CE2-CB 4.06Å; Y114-H185 AromaticContact CE2-CG 3.97Å; Y114-H185 AromaticContact CG-CD2 3.97Å; Y114-H185 AromaticContact CZ-CD2 3.92Å; Y114-H185 AromaticContact CZ-CE1 3.8Å; Y114-H185 AromaticContact CZ-CG 3.6Å; Y114-H185 AromaticContact CZ-ND1 3.52Å; Y114-H185 PolarHBondContact OH-ND1 3.39Å; E181-H185 PolarHBondContact O-CD2 3.37Å; E181-H185 VanDerWaalsContact O-CD2 3.29Å; E181-H185 PolarHBondContact O-N 2.96Å; F182-H185 PolarHBondContact O-N 2.91Å; W183-H185 VanDerWaalsContact C-N 3.27Å; W183-H185 PolarHBondContact O-N 3.24Å; H185-L187 PolarHBondContact O-N 3.01Å; H185-D188 IonicContact CE1-OD2 3.83Å; H185-D188 IonicContact CG-OD2 3.13Å; H185-D188 IonicContact ND1-OD2 3.52Å; H185-D188 PolarHBondContact ND1-OD2 3.1Å; H185-D188 VanDerWaalsContact O-CB 3.29Å; H185-D188 WeakPolarHBondContact O-CB 3.44Å; H185-D188 PolarHBondContact O-N 2.95Å; H185-V191 HydrophobicContact CB-CG2 4.37Å; H185-V191 WeakPolarHBondContact O-CB 3.31Å |
| 186 | R | 97.4 | Very high | 97.7 | Very high | 89 Ų | 89 | 60 Ų | 60 | 34% | 0.336 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -14.5 | -174.8 | 78.3 | -169.1 | 178.4 | -75.2 | -3.2 | 115.6 | F182 W183 E184 F193 | F182-R186 PolarHBondContact O-N 2.87Å; W183-R186 VanDerWaalsContact CD2-CD 3.48Å; W183-R186 VanDerWaalsContact CE3-CD 3.46Å; W183-R186 WeakPolarHBondContact O-CB 3.01Å; W183-R186 WeakPolarHBondContact O-CD 3.45Å; W183-R186 WeakPolarHBondContact O-CG 3.42Å; W183-R186 PolarHBondContact O-N 3.13Å; W183-R186 PolarHBondContact O-NH1 3.08Å; E184-R186 PolarHBondContact O-N 2.79Å; R186-F193 HydrophobicContact CB-CB 3.75Å; R186-F193 HydrophobicContact CB-CD2 4.46Å; R186-F193 HydrophobicContact CB-CG 4.32Å |
| 187 | L | 97 | Very high | 97.5 | Very high | 142 Ų | 142 | 59 Ų | 59 | 74% | 0.743 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.5 | -4.7 | 179 | -62.9 | -178.8 | 0 | 0 | 0 | 112.2 | H185 | H185-L187 PolarHBondContact O-N 3.01Š|
| 188 | D | 97.8 | Very high | 97.2 | Very high | 59 Ų | 59 | 57 Ų | 57 | 32% | 0.316 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -67.9 | 141.3 | 175.3 | -64.3 | -8.4 | 0 | 0 | 0 | 109.5 | H185 N190 V191 | H185-D188 IonicContact CE1-OD2 3.83Å; H185-D188 IonicContact CG-OD2 3.13Å; H185-D188 IonicContact ND1-OD2 3.52Å; H185-D188 PolarHBondContact ND1-OD2 3.1Å; H185-D188 VanDerWaalsContact O-CB 3.29Å; H185-D188 WeakPolarHBondContact O-CB 3.44Å; H185-D188 PolarHBondContact O-N 2.95Å; D188-N190 PolarHBondContact O-N 3.3Å; D188-N190 VanDerWaalsContact O-N 3.11Å; D188-V191 HydrophobicContact CB-CB 4.28Å; D188-V191 HydrophobicContact CB-CG2 3.99Å; D188-V191 PolarHBondContact O-N 2.87Å |
| 189 | S | 96.7 | Very high | 96.7 | Very high | 113 Ų | 113 | 57.1 Ų | 57.1 | 79% | 0.79 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -21.8 | -173.7 | 53.8 | 0 | 0 | 0 | 0 | 114 | ||
| 190 | N | 97.9 | Very high | 96.3 | Very high | 6 Ų | 6 | 61 Ų | 61 | 3% | 0.032 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | 10.7 | 178 | 71.5 | -34.4 | 0 | 0 | 0 | 113.6 | M121 G124 E125 A126 V128 D188 F213 | M121-N190 PolarHBondContact O-ND2 3.12Å; G124-N190 WeakPolarHBondContact CA-ND2 3.45Å; E125-N190 PolarHBondContact O-ND2 2.86Å; A126-N190 VanDerWaalsContact O-CB 3.26Å; A126-N190 WeakPolarHBondContact O-CB 3.41Å; V128-N190 PolarHBondContact N-O 3.49Å; D188-N190 PolarHBondContact O-N 3.3Å; D188-N190 VanDerWaalsContact O-N 3.11Å; N190-F213 WeakPolarHBondContact O-CZ 3.41Å |
| 191 | V | 98.4 | Very high | 96 | Very high | 8 Ų | 8 | 64 Ų | 64 | 5% | 0.048 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 123.6 | 179.6 | -179 | 0 | 0 | 0 | 0 | 110.8 | Y114 V128 H185 D188 | Y114-V191 HydrophobicContact CE2-CG2 4.1Å; V128-V191 HydrophobicContact CB-CG2 4.31Å; V128-V191 CarbonylContact O-C 3.58Å; V128-V191 VanDerWaalsContact O-CA 3.32Å; V128-V191 WeakPolarHBondContact O-CA 3.37Å; H185-V191 HydrophobicContact CB-CG2 4.37Å; H185-V191 WeakPolarHBondContact O-CB 3.31Å; D188-V191 HydrophobicContact CB-CB 4.28Å; D188-V191 HydrophobicContact CB-CG2 3.99Å; D188-V191 PolarHBondContact O-N 2.87Å |
| 192 | L | 98.3 | Very high | 95.8 | Very high | 24 Ų | 24 | 66.3 Ų | 66.3 | 13% | 0.126 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 111 | 169.3 | -178.7 | 66.3 | 0 | 0 | 0 | 109.5 | V128 I129 Y130 L194 L210 F213 | V128-L192 PolarHBondContact O-N 3.04Å; I129-L192 WeakPolarHBondContact CA-O 3.48Å; I129-L192 HydrophobicContact CG1-CB 4.43Å; I129-L192 HydrophobicContact CG1-CD2 4.48Å; Y130-L192 PolarHBondContact N-O 3.3Å; L192-L194 HydrophobicContact CD1-CD2 4.17Å; L192-L194 HydrophobicContact CD2-CD1 4.2Å; L192-L194 HydrophobicContact CD2-CD2 4.01Å; L192-L194 HydrophobicContact CD2-CG 4.18Å; L192-L194 HydrophobicContact CG-CD2 3.86Å; L192-L194 HydrophobicContact CG-CG 4.04Å; L192-L210 HydrophobicContact CD2-CB 4.34Å; L192-L210 HydrophobicContact CD2-CD1 3.81Å; L192-F213 HydrophobicContact CB-CD1 3.63Å; L192-F213 HydrophobicContact CB-CD2 3.94Å; L192-F213 HydrophobicContact CB-CE1 3.63Å; L192-F213 HydrophobicContact CB-CE2 3.95Å; L192-F213 HydrophobicContact CB-CG 3.77Å; L192-F213 HydrophobicContact CB-CZ 3.8Å; L192-F213 HydrophobicContact CD2-CB 3.93Å; L192-F213 HydrophobicContact CD2-CD1 3.84Å; L192-F213 HydrophobicContact CD2-CG 3.98Å; L192-F213 HydrophobicContact CG-CD1 4.33Å; L192-F213 HydrophobicContact CG-CG 4.31Å |
| 193 | F | 98.2 | Very high | 95.4 | Very high | 34 Ų | 34 | 67.1 Ų | 67.1 | 15% | 0.149 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 116 | 176.4 | -170 | -74 | 0 | 0 | 0 | 110.8 | Y130 A132 V179 F182 W183 R186 K195 | Y130-F193 AromaticContact CD1-CD2 3.52Å; Y130-F193 HydrophobicContact CD1-CD2 3.52Å; Y130-F193 AromaticContact CD1-CE2 3.38Å; Y130-F193 HydrophobicContact CD1-CE2 3.38Å; Y130-F193 HydrophobicContact CD1-CG 4.31Å; Y130-F193 HydrophobicContact CD1-CZ 4.06Å; Y130-F193 HydrophobicContact CE1-CD2 4.15Å; Y130-F193 AromaticContact CE1-CE2 3.51Å; Y130-F193 HydrophobicContact CE1-CE2 3.51Å; Y130-F193 AromaticContact CE1-CZ 3.99Å; Y130-F193 HydrophobicContact CE1-CZ 3.99Å; Y130-F193 HydrophobicContact CG-CD2 4.44Å; A132-F193 HydrophobicContact CB-CE1 3.85Å; A132-F193 HydrophobicContact CB-CZ 3.57Å; V179-F193 HydrophobicContact CG2-CE2 4.32Å; V179-F193 HydrophobicContact CG2-CZ 3.98Å; F182-F193 HydrophobicContact CB-CD2 4.26Å; F182-F193 HydrophobicContact CB-CE2 4.23Å; W183-F193 HydrophobicContact CB-CE2 4Å; W183-F193 AromaticContact CE3-CD1 3.83Å; W183-F193 HydrophobicContact CE3-CD1 3.83Å; W183-F193 HydrophobicContact CE3-CD2 4.1Å; W183-F193 AromaticContact CE3-CE1 3.65Å; W183-F193 HydrophobicContact CE3-CE1 3.65Å; W183-F193 AromaticContact CE3-CE2 3.9Å; W183-F193 HydrophobicContact CE3-CE2 3.9Å; W183-F193 HydrophobicContact CE3-CG 4.07Å; W183-F193 AromaticContact CE3-CZ 3.67Å; W183-F193 HydrophobicContact CE3-CZ 3.67Å; W183-F193 AromaticContact CZ3-CD1 3.89Å; W183-F193 HydrophobicContact CZ3-CD1 3.89Å; W183-F193 AromaticContact CZ3-CE1 3.88Å; W183-F193 HydrophobicContact CZ3-CE1 3.88Å; W183-F193 HydrophobicContact CZ3-CG 4.42Å; W183-F193 HydrophobicContact CZ3-CZ 4.37Å; R186-F193 HydrophobicContact CB-CB 3.75Å; R186-F193 HydrophobicContact CB-CD2 4.46Å; R186-F193 HydrophobicContact CB-CG 4.32Å; F193-K195 HydrophobicContact CE1-CG 4.09Å |
| 194 | L | 96.9 | Very high | 95.1 | Very high | 11 Ų | 11 | 63 Ų | 63 | 6% | 0.058 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 159.6 | 178.3 | -58.9 | -178.6 | 0 | 0 | 0 | 111.4 | L61 I129 Y130 M131 A132 L192 M206 | L61-L194 HydrophobicContact CD1-CD1 4.04Å; I129-L194 HydrophobicContact CG2-CD1 3.74Å; I129-L194 HydrophobicContact CG2-CG 4.3Å; Y130-L194 PolarHBondContact O-N 2.85Å; M131-L194 WeakPolarHBondContact CA-O 3.41Å; M131-L194 HydrophobicContact CE-CB 4.45Å; A132-L194 PolarHBondContact N-O 2.94Å; L192-L194 HydrophobicContact CD1-CD2 4.17Å; L192-L194 HydrophobicContact CD2-CD1 4.2Å; L192-L194 HydrophobicContact CD2-CD2 4.01Å; L192-L194 HydrophobicContact CD2-CG 4.18Å; L192-L194 HydrophobicContact CG-CD2 3.86Å; L192-L194 HydrophobicContact CG-CG 4.04Å; L194-M206 HydrophobicContact CD1-CG 4.38Å; L194-M206 HydrophobicContact CD1-SD 4.32Å; L194-M206 HydrophobicContact CD2-CG 4.17Å |
| 195 | K | 95.9 | Very high | 94.9 | Very high | 86 Ų | 86 | 59 Ų | 59 | 37% | 0.374 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 131.3 | 172.4 | -61.8 | 174.6 | -174.3 | 167.6 | 0 | 109.2 | A132 F193 E197 D198 M206 | A132-K195 CarbonylContact O-C 3.58Å; A132-K195 WeakPolarHBondContact O-CA 3.47Å; F193-K195 HydrophobicContact CE1-CG 4.09Å; K195-E197 PolarHBondContact O-N 2.84Å; K195-D198 HydrophobicContact CB-CB 4.41Å; K195-D198 PolarHBondContact O-N 2.82Å; K195-M206 WeakPolarHBondContact O-CE 3.42Å |
| 196 | Y | 94.3 | Very high | 94.8 | Very high | 35 Ų | 35 | 57 Ų | 57 | 14% | 0.137 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -53 | -39.7 | 178 | 178.2 | -93.8 | 0 | 0 | 0 | 112.1 | M131 A132 R133 D198 M199 F200 | M131-Y196 HydrophobicContact SD-CD2 4.11Å; A132-Y196 WeakPolarHBondContact O-CB 3.4Å; A132-Y196 PolarHBondContact O-N 2.97Å; R133-Y196 HydrophobicContact CB-CG 4.49Å; R133-Y196 HydrophobicContact CG-CD1 3.99Å; R133-Y196 HydrophobicContact CG-CG 4.04Å; Y196-D198 VanDerWaalsContact C-N 3.26Å; Y196-D198 PolarHBondContact O-N 3.07Å; Y196-M199 HydrophobicContact CD2-SD 4.1Å; Y196-M199 HydrophobicContact CE2-CE 4.43Å; Y196-M199 VanDerWaalsContact O-CB 3.32Å; Y196-M199 WeakPolarHBondContact O-CB 3.45Å; Y196-M199 PolarHBondContact O-N 3.04Å; Y196-F200 HydrophobicContact CD1-CD2 4.49Å; Y196-F200 HydrophobicContact CD1-CE2 4.06Å; Y196-F200 HydrophobicContact CD2-CE2 4.44Å; Y196-F200 HydrophobicContact CE1-CD2 4.1Å; Y196-F200 AromaticContact CE1-CE2 3.42Å; Y196-F200 HydrophobicContact CE1-CE2 3.42Å; Y196-F200 VanDerWaalsContact CE1-CE2 3.42Å; Y196-F200 HydrophobicContact CE1-CZ 4.22Å; Y196-F200 AromaticContact CE2-CE2 3.89Å; Y196-F200 HydrophobicContact CE2-CE2 3.89Å; Y196-F200 HydrophobicContact CE2-CZ 4.38Å; Y196-F200 AromaticContact CZ-CE2 3.33Å; Y196-F200 AromaticContact CZ-CZ 3.78Å; Y196-F200 WeakPolarHBondContact O-CD2 3.4Å; Y196-F200 WeakPolarHBondContact OH-CE2 3.4Å; Y196-F200 WeakPolarHBondContact OH-CZ 3.46Å |
| 197 | E | 94.1 | Very high | 94.5 | Very high | 64 Ų | 64 | 52.7 Ų | 52.7 | 30% | 0.299 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -65.8 | -30.2 | -178.5 | -60.7 | 73.4 | -157 | 0 | 0 | 112.5 | R133 N134 K195 M199 F200 K201 | R133-E197 WeakPolarHBondContact CG-OE1 3.35Å; N134-E197 WeakPolarHBondContact CB-OE1 3.17Å; N134-E197 PolarHBondContact N-OE1 2.92Å; K195-E197 PolarHBondContact O-N 2.84Å; E197-M199 PolarHBondContact O-N 3.31Å; E197-F200 PolarHBondContact O-N 3.46Å; E197-K201 WeakPolarHBondContact O-CB 3.45Å; E197-K201 PolarHBondContact O-N 2.89Å |
| 198 | D | 92.3 | Very high | 94.3 | Very high | 59 Ų | 59 | 50.7 Ų | 50.7 | 32% | 0.316 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -70.9 | -22.4 | 179.7 | -68.2 | -27.1 | 0 | 0 | 0 | 111.5 | K195 Y196 F200 K201 D202 M206 | K195-D198 HydrophobicContact CB-CB 4.41Å; K195-D198 PolarHBondContact O-N 2.82Å; Y196-D198 VanDerWaalsContact C-N 3.26Å; Y196-D198 PolarHBondContact O-N 3.07Å; D198-F200 PolarHBondContact O-N 2.93Å; D198-K201 PolarHBondContact O-N 3.26Å; D198-D202 CarbonylContact O-C 3.3Å; D198-D202 VanDerWaalsContact O-C 3.3Å; D198-D202 PolarHBondContact O-N 3.23Å; D198-M206 HydrophobicContact CB-CE 3.63Å |
| 199 | M | 88.6 | Confident | 94.2 | Very high | 5 Ų | 5 | 52.2 Ų | 52.2 | 3% | 0.025 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61 | -32.7 | 173.4 | -69.6 | 166.1 | 43.9 | 0 | 0 | 112.5 | L60 M131 Y196 E197 L203 M206 | L60-M199 HydrophobicContact CB-CE 3.9Å; L60-M199 HydrophobicContact CD2-CE 3.16Å; L60-M199 HydrophobicContact CG-CE 3.32Å; M131-M199 HydrophobicContact CE-CG 4.3Å; M131-M199 HydrophobicContact CE-SD 3.31Å; M131-M199 WeakPolarHBondContact CE-SD 3.01Å; M131-M199 HydrophobicContact SD-SD 4.01Å; Y196-M199 HydrophobicContact CD2-SD 4.1Å; Y196-M199 HydrophobicContact CE2-CE 4.43Å; Y196-M199 VanDerWaalsContact O-CB 3.32Å; Y196-M199 WeakPolarHBondContact O-CB 3.45Å; Y196-M199 PolarHBondContact O-N 3.04Å; E197-M199 PolarHBondContact O-N 3.31Å; M199-L203 WeakPolarHBondContact O-CB 3.22Å; M199-M206 HydrophobicContact CB-CE 4.23Å; M199-M206 HydrophobicContact CB-SD 4.22Å; M199-M206 HydrophobicContact CG-CE 3.52Å; M199-M206 HydrophobicContact CG-SD 3.23Å; M199-M206 WeakPolarHBondContact CG-SD 3.37Å; M199-M206 VanDerWaalsContact N-CE 3.27Å; M199-M206 HydrophobicContact SD-SD 4.46Å |
| 200 | F | 88.7 | Confident | 94.1 | Very high | 101 Ų | 101 | 46.9 Ų | 46.9 | 44% | 0.443 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -96.7 | -19.5 | -178.4 | -59.8 | -87.2 | 0 | 0 | 0 | 112.2 | L60 Y196 E197 D198 I234 | L60-F200 HydrophobicContact CD2-CZ 3.87Å; Y196-F200 HydrophobicContact CD1-CD2 4.49Å; Y196-F200 HydrophobicContact CD1-CE2 4.06Å; Y196-F200 HydrophobicContact CD2-CE2 4.44Å; Y196-F200 HydrophobicContact CE1-CD2 4.1Å; Y196-F200 AromaticContact CE1-CE2 3.42Å; Y196-F200 HydrophobicContact CE1-CE2 3.42Å; Y196-F200 VanDerWaalsContact CE1-CE2 3.42Å; Y196-F200 HydrophobicContact CE1-CZ 4.22Å; Y196-F200 AromaticContact CE2-CE2 3.89Å; Y196-F200 HydrophobicContact CE2-CE2 3.89Å; Y196-F200 HydrophobicContact CE2-CZ 4.38Å; Y196-F200 AromaticContact CZ-CE2 3.33Å; Y196-F200 AromaticContact CZ-CZ 3.78Å; Y196-F200 WeakPolarHBondContact O-CD2 3.4Å; Y196-F200 WeakPolarHBondContact OH-CE2 3.4Å; Y196-F200 WeakPolarHBondContact OH-CZ 3.46Å; E197-F200 PolarHBondContact O-N 3.46Å; D198-F200 PolarHBondContact O-N 2.93Å; F200-I234 HydrophobicContact CD1-CG2 4.3Å; F200-I234 HydrophobicContact CE1-CG2 3.61Å; F200-I234 HydrophobicContact CZ-CG2 4.2Å |
| 201 | K | 92.7 | Very high | 93.8 | Very high | 174 Ų | 174 | 46.8 Ų | 46.8 | 76% | 0.757 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -90.3 | -43.5 | -178 | -174.6 | -177.2 | 173.6 | -169.7 | 0 | 112.3 | E197 D198 | E197-K201 WeakPolarHBondContact O-CB 3.45Å; E197-K201 PolarHBondContact O-N 2.89Å; D198-K201 PolarHBondContact O-N 3.26Å |
| 202 | D | 92.6 | Very high | 93.6 | Very high | 80 Ų | 80 | 53.5 Ų | 53.5 | 43% | 0.428 | 26% | 0.26 | S | S | . | . | trans | -153.3 | 72.8 | -176.5 | -171.4 | -0.3 | 0 | 0 | 0 | 110.5 | D198 G204 T205 M206 | D198-D202 CarbonylContact O-C 3.3Å; D198-D202 VanDerWaalsContact O-C 3.3Å; D198-D202 PolarHBondContact O-N 3.23Å; D202-G204 VanDerWaalsContact C-N 3.26Å; D202-G204 PolarHBondContact O-N 2.96Å; D202-T205 PolarHBondContact OD1-N 3.48Å; D202-T205 PolarHBondContact OD1-OG1 3.36Å; D202-T205 VanDerWaalsContact OD2-CB 3.31Å; D202-T205 WeakPolarHBondContact OD2-CB 3.29Å; D202-T205 PolarHBondContact OD2-OG1 3.47Å; D202-M206 PolarHBondContact O-N 2.82Å | ||
| 203 | L | 91.5 | Very high | 93.5 | Very high | 17 Ų | 17 | 54 Ų | 54 | 9% | 0.089 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.8 | -36.2 | 180 | -174.4 | 62.1 | 0 | 0 | 0 | 112.2 | M199 M206 V207 C230 N231 I234 | M199-L203 WeakPolarHBondContact O-CB 3.22Å; L203-M206 PolarHBondContact O-N 3.47Å; L203-V207 HydrophobicContact CD1-CG2 3.92Å; L203-V207 HydrophobicContact CG-CG2 4.04Å; L203-V207 WeakPolarHBondContact O-CB 3.28Å; L203-V207 VanDerWaalsContact O-CG2 3.32Å; L203-V207 WeakPolarHBondContact O-CG2 3.39Å; L203-V207 PolarHBondContact O-N 3.01Å; L203-C230 HydrophobicContact CD1-CB 4.45Å; L203-C230 HydrophobicContact CD2-CB 4.01Å; L203-C230 HydrophobicContact CG-CB 4.49Å; L203-N231 HydrophobicContact CD2-CB 3.76Å; L203-I234 HydrophobicContact CD1-CD1 3.62Å; L203-I234 HydrophobicContact CD2-CD1 3.73Å; L203-I234 HydrophobicContact CG-CD1 4.31Å |
| 204 | G | 92.6 | Very high | 93.2 | Very high | 24 Ų | 24 | 53.3 Ų | 53.3 | 25% | 0.247 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58.5 | -54.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112 | D202 M206 V207 E208 | D202-G204 VanDerWaalsContact C-N 3.26Å; D202-G204 PolarHBondContact O-N 2.96Å; G204-M206 VanDerWaalsContact C-N 3.3Å; G204-M206 PolarHBondContact O-N 3.47Å; G204-V207 PolarHBondContact O-N 3.14Å; G204-E208 WeakPolarHBondContact O-CB 3.01Å; G204-E208 PolarHBondContact O-N 3.03Å |
| 205 | T | 93.8 | Very high | 92.9 | Very high | 55 Ų | 55 | 55.4 Ų | 55.4 | 34% | 0.337 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61.2 | -38.8 | 177.6 | -59.7 | 0 | 0 | 0 | 0 | 111.8 | D202 H209 | D202-T205 PolarHBondContact OD1-N 3.48Å; D202-T205 PolarHBondContact OD1-OG1 3.36Å; D202-T205 VanDerWaalsContact OD2-CB 3.31Å; D202-T205 WeakPolarHBondContact OD2-CB 3.29Å; D202-T205 PolarHBondContact OD2-OG1 3.47Å; T205-H209 VanDerWaalsContact CG2-CE1 3.49Å; T205-H209 WeakPolarHBondContact CG2-CE1 3.32Å; T205-H209 VanDerWaalsContact O-CG 3.32Å; T205-H209 PolarHBondContact O-N 3.38Å; T205-H209 PolarHBondContact O-ND1 3.31Å |
| 206 | M | 94.3 | Very high | 92.5 | Very high | 10 Ų | 10 | 53.4 Ų | 53.4 | 5% | 0.049 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64 | -48.1 | 177.6 | 178.9 | 177.5 | -62.4 | 0 | 0 | 112.4 | L194 K195 D198 M199 D202 L203 G204 E208 H209 L210 | L194-M206 HydrophobicContact CD1-CG 4.38Å; L194-M206 HydrophobicContact CD1-SD 4.32Å; L194-M206 HydrophobicContact CD2-CG 4.17Å; K195-M206 WeakPolarHBondContact O-CE 3.42Å; D198-M206 HydrophobicContact CB-CE 3.63Å; M199-M206 HydrophobicContact CB-CE 4.23Å; M199-M206 HydrophobicContact CB-SD 4.22Å; M199-M206 HydrophobicContact CG-CE 3.52Å; M199-M206 HydrophobicContact CG-SD 3.23Å; M199-M206 WeakPolarHBondContact CG-SD 3.37Å; M199-M206 VanDerWaalsContact N-CE 3.27Å; M199-M206 HydrophobicContact SD-SD 4.46Å; D202-M206 PolarHBondContact O-N 2.82Å; L203-M206 PolarHBondContact O-N 3.47Å; G204-M206 VanDerWaalsContact C-N 3.3Å; G204-M206 PolarHBondContact O-N 3.47Å; M206-E208 VanDerWaalsContact C-N 3.31Å; M206-E208 PolarHBondContact O-N 3.31Å; M206-H209 PolarHBondContact O-N 2.95Å; M206-L210 VanDerWaalsContact O-CB 3.32Å; M206-L210 WeakPolarHBondContact O-CB 3.41Å; M206-L210 PolarHBondContact O-N 3.4Å |
| 207 | V | 92.7 | Very high | 92 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64.7 | -38.6 | -179.5 | 169.6 | 0 | 0 | 0 | 0 | 110.5 | V68 L203 G204 L210 A211 L223 L226 V227 C230 | V68-V207 HydrophobicContact CG2-CG1 4.24Å; L203-V207 HydrophobicContact CD1-CG2 3.92Å; L203-V207 HydrophobicContact CG-CG2 4.04Å; L203-V207 WeakPolarHBondContact O-CB 3.28Å; L203-V207 VanDerWaalsContact O-CG2 3.32Å; L203-V207 WeakPolarHBondContact O-CG2 3.39Å; L203-V207 PolarHBondContact O-N 3.01Å; G204-V207 PolarHBondContact O-N 3.14Å; V207-L210 PolarHBondContact O-N 3.47Å; V207-A211 WeakPolarHBondContact O-CB 3.23Å; V207-A211 PolarHBondContact O-N 2.96Å; V207-L223 HydrophobicContact CG1-CD1 4.1Å; V207-L226 HydrophobicContact CG1-CB 4.41Å; V207-L226 HydrophobicContact CG1-CD2 3.66Å; V207-L226 HydrophobicContact CG1-CG 3.74Å; V207-V227 HydrophobicContact CB-CG2 3.88Å; V207-V227 HydrophobicContact CG1-CG2 3.86Å; V207-V227 HydrophobicContact CG2-CG2 4.41Å; V207-C230 HydrophobicContact CG2-CB 4.13Å |
| 208 | E | 92.8 | Very high | 91.4 | Very high | 100 Ų | 100 | 56.5 Ų | 56.5 | 47% | 0.467 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -60.6 | -51.3 | 174.4 | -175.1 | 175.7 | -165 | 0 | 0 | 111.8 | G204 M206 L210 A211 Q212 L223 | G204-E208 WeakPolarHBondContact O-CB 3.01Å; G204-E208 PolarHBondContact O-N 3.03Å; M206-E208 VanDerWaalsContact C-N 3.31Å; M206-E208 PolarHBondContact O-N 3.31Å; E208-L210 VanDerWaalsContact C-N 3.28Å; E208-L210 PolarHBondContact O-N 2.95Å; E208-A211 PolarHBondContact O-N 3.4Å; E208-Q212 WeakPolarHBondContact O-CB 3.42Å; E208-Q212 PolarHBondContact O-N 3.31Å; E208-L223 HydrophobicContact CB-CD1 4.25Å; E208-L223 HydrophobicContact CB-CD2 4.04Å; E208-L223 HydrophobicContact CG-CD2 3.91Å |
| 209 | H | 94.1 | Very high | 91.2 | Very high | 90 Ų | 90 | 57.9 Ų | 57.9 | 42% | 0.417 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60.1 | -39.7 | 176.4 | -70.7 | 159.9 | 0 | 0 | 0 | 112.1 | T205 M206 F213 | T205-H209 VanDerWaalsContact CG2-CE1 3.49Å; T205-H209 WeakPolarHBondContact CG2-CE1 3.32Å; T205-H209 VanDerWaalsContact O-CG 3.32Å; T205-H209 PolarHBondContact O-N 3.38Å; T205-H209 PolarHBondContact O-ND1 3.31Å; M206-H209 PolarHBondContact O-N 2.95Å; H209-F213 WeakPolarHBondContact O-CB 3.31Å; H209-F213 PolarHBondContact O-N 3.13Å |
| 210 | L | 94.7 | Very high | 91.2 | Very high | 1 Ų | 1 | 65.1 Ų | 65.1 | 1% | 0.005 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -65.6 | -46.7 | 177.9 | -179.9 | 59.7 | 0 | 0 | 0 | 111.6 | V64 V65 V68 I129 L192 M206 V207 E208 Q212 F213 L214 | V64-L210 HydrophobicContact CG1-CD2 3.83Å; V65-L210 HydrophobicContact CG2-CD1 4.17Å; V65-L210 HydrophobicContact CG2-CD2 3.98Å; V68-L210 HydrophobicContact CB-CD2 4.22Å; V68-L210 HydrophobicContact CB-CG 4.43Å; V68-L210 HydrophobicContact CG1-CD2 4.5Å; V68-L210 HydrophobicContact CG1-CG 4.19Å; V68-L210 HydrophobicContact CG2-CD2 3.97Å; V68-L210 HydrophobicContact CG2-CG 4.49Å; I129-L210 HydrophobicContact CD1-CD1 3.51Å; I129-L210 HydrophobicContact CG1-CD1 4.28Å; L192-L210 HydrophobicContact CD2-CB 4.34Å; L192-L210 HydrophobicContact CD2-CD1 3.81Å; M206-L210 VanDerWaalsContact O-CB 3.32Å; M206-L210 WeakPolarHBondContact O-CB 3.41Å; M206-L210 PolarHBondContact O-N 3.4Å; V207-L210 PolarHBondContact O-N 3.47Å; E208-L210 VanDerWaalsContact C-N 3.28Å; E208-L210 PolarHBondContact O-N 2.95Å; L210-Q212 PolarHBondContact O-N 3.18Å; L210-F213 PolarHBondContact O-N 3.02Å; L210-L214 HydrophobicContact CD1-CD1 3.82Å; L210-L214 HydrophobicContact CD1-CG 4.02Å; L210-L214 HydrophobicContact CG-CD1 4.01Å; L210-L214 WeakPolarHBondContact O-CB 3.4Å; L210-L214 VanDerWaalsContact O-CG 3.26Å; L210-L214 WeakPolarHBondContact O-CG 3.44Å; L210-L214 PolarHBondContact O-N 3.16Å |
| 211 | A | 92.8 | Very high | 91.2 | Very high | 4 Ų | 4 | 64.3 Ų | 64.3 | 3% | 0.033 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -60.6 | -46.2 | 177 | 0 | 0 | 0 | 0 | 0 | 111.2 | V68 V207 E208 F213 L214 G215 V216 L226 | V68-A211 HydrophobicContact CG1-CB 3.96Å; V207-A211 WeakPolarHBondContact O-CB 3.23Å; V207-A211 PolarHBondContact O-N 2.96Å; E208-A211 PolarHBondContact O-N 3.4Å; A211-F213 PolarHBondContact O-N 3.25Å; A211-L214 CarbonylContact O-C 3.48Å; A211-L214 PolarHBondContact O-N 2.94Å; A211-G215 PolarHBondContact O-N 3.26Å; A211-V216 HydrophobicContact CB-CB 4.35Å; A211-V216 PolarHBondContact O-N 3.46Å; A211-L226 HydrophobicContact CB-CD2 4.47Å |
| 212 | Q | 93.6 | Very high | 90.9 | Very high | 150 Ų | 150 | 60.7 Ų | 60.7 | 70% | 0.701 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -60.4 | -47.2 | 176.6 | -174.2 | -178.6 | 6.9 | 0 | 0 | 111.7 | E208 L210 L214 G215 | E208-Q212 WeakPolarHBondContact O-CB 3.42Å; E208-Q212 PolarHBondContact O-N 3.31Å; L210-Q212 PolarHBondContact O-N 3.18Å; Q212-L214 VanDerWaalsContact C-N 3.33Å; Q212-L214 PolarHBondContact O-N 3.46Å; Q212-G215 PolarHBondContact O-N 3.07Å |
| 213 | F | 95.8 | Very high | 90.7 | Very high | 35 Ų | 35 | 58.5 Ų | 58.5 | 15% | 0.154 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.5 | -40.4 | 178.3 | 180 | -107.4 | 0 | 0 | 0 | 112 | K127 I129 N190 L192 H209 L210 A211 G215 | K127-F213 HydrophobicContact CB-CE1 3.74Å; K127-F213 HydrophobicContact CB-CZ 3.94Å; K127-F213 HydrophobicContact CD-CE1 4.36Å; K127-F213 WeakPolarHBondContact CD-O 3.41Å; K127-F213 WeakPolarHBondContact CE-O 3.48Å; K127-F213 HydrophobicContact CG-CE1 4.29Å; K127-F213 HydrophobicContact CG-CZ 4.3Å; K127-F213 PolarHBondContact NZ-O 3.46Å; I129-F213 HydrophobicContact CG1-CD1 4.09Å; I129-F213 HydrophobicContact CG1-CE1 3.75Å; N190-F213 WeakPolarHBondContact O-CZ 3.41Å; L192-F213 HydrophobicContact CB-CD1 3.63Å; L192-F213 HydrophobicContact CB-CD2 3.94Å; L192-F213 HydrophobicContact CB-CE1 3.63Å; L192-F213 HydrophobicContact CB-CE2 3.95Å; L192-F213 HydrophobicContact CB-CG 3.77Å; L192-F213 HydrophobicContact CB-CZ 3.8Å; L192-F213 HydrophobicContact CD2-CB 3.93Å; L192-F213 HydrophobicContact CD2-CD1 3.84Å; L192-F213 HydrophobicContact CD2-CG 3.98Å; L192-F213 HydrophobicContact CG-CD1 4.33Å; L192-F213 HydrophobicContact CG-CG 4.31Å; H209-F213 WeakPolarHBondContact O-CB 3.31Å; H209-F213 PolarHBondContact O-N 3.13Å; L210-F213 PolarHBondContact O-N 3.02Å; A211-F213 PolarHBondContact O-N 3.25Å; F213-G215 PolarHBondContact O-N 3.26Å |
| 214 | L | 93.2 | Very high | 90.7 | Very high | 19 Ų | 19 | 62.8 Ų | 62.8 | 10% | 0.099 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -73.2 | -11.2 | 175.8 | -68.1 | -179.7 | 0 | 0 | 0 | 113.3 | I48 V65 V68 K127 I129 L210 A211 Q212 V216 | I48-L214 HydrophobicContact CB-CD2 4.49Å; I48-L214 HydrophobicContact CD1-CD2 3.61Å; I48-L214 HydrophobicContact CG1-CD2 3.78Å; I48-L214 HydrophobicContact CG2-CD2 3.87Å; V65-L214 HydrophobicContact CG1-CD1 4.41Å; V68-L214 HydrophobicContact CB-CD1 4.37Å; V68-L214 HydrophobicContact CG1-CD1 3.95Å; K127-L214 HydrophobicContact CD-CD2 4.19Å; K127-L214 PolarHBondContact NZ-O 3.3Å; I129-L214 HydrophobicContact CD1-CD2 4.15Å; L210-L214 HydrophobicContact CD1-CD1 3.82Å; L210-L214 HydrophobicContact CD1-CG 4.02Å; L210-L214 HydrophobicContact CG-CD1 4.01Å; L210-L214 WeakPolarHBondContact O-CB 3.4Å; L210-L214 VanDerWaalsContact O-CG 3.26Å; L210-L214 WeakPolarHBondContact O-CG 3.44Å; L210-L214 PolarHBondContact O-N 3.16Å; A211-L214 CarbonylContact O-C 3.48Å; A211-L214 PolarHBondContact O-N 2.94Å; Q212-L214 VanDerWaalsContact C-N 3.33Å; Q212-L214 PolarHBondContact O-N 3.46Å; L214-V216 VanDerWaalsContact C-N 3.29Å; L214-V216 HydrophobicContact CB-CG2 3.9Å |
| 215 | G | 90.6 | Very high | 90.5 | Very high | 54 Ų | 54 | 66.1 Ų | 66.1 | 56% | 0.557 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.7 | 21.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | A211 Q212 F213 S217 | A211-G215 PolarHBondContact O-N 3.26Å; Q212-G215 PolarHBondContact O-N 3.07Å; F213-G215 PolarHBondContact O-N 3.26Å; G215-S217 PolarHBondContact O-N 3.09Å |
| 216 | V | 87.9 | Confident | 90.2 | Very high | 45 Ų | 45 | 64.1 Ų | 64.1 | 27% | 0.273 | 35% | 0.345 | S | S | . | . | trans | -82 | 114.1 | 177.4 | -176.5 | 0 | 0 | 0 | 0 | 107.6 | A211 L214 C218 | A211-V216 HydrophobicContact CB-CB 4.35Å; A211-V216 PolarHBondContact O-N 3.46Å; L214-V216 VanDerWaalsContact C-N 3.29Å; L214-V216 HydrophobicContact CB-CG2 3.9Å; V216-C218 PolarHBondContact O-N 3Å | ||
| 217 | S | 83.6 | Confident | 90 | Very high | 117 Ų | 117 | 65.3 Ų | 65.3 | 82% | 0.818 | 35% | 0.353 | S | S | * | . | trans | -82.7 | 109.4 | 178 | -62.5 | 0 | 0 | 0 | 0 | 109.4 | G215 | G215-S217 PolarHBondContact O-N 3.09Š| ||
| 218 | C | 81.6 | Confident | 89.9 | Confident | 47 Ų | 47 | 69.7 Ų | 69.7 | 32% | 0.318 | 37% | 0.373 | S | S | . | . | trans | -115.8 | 134.7 | 173.8 | -61.4 | 0 | 0 | 0 | 0 | 109.5 | V216 Q222 L223 | V216-C218 PolarHBondContact O-N 3Å; C218-Q222 HydrophobicContact CB-CB 3.95Å; C218-L223 HydrophobicContact CB-CB 4.24Å | ||
| 219 | D | 87.3 | Confident | 89.6 | Confident | 87 Ų | 87 | 66.5 Ų | 66.5 | 47% | 0.465 | 36% | 0.359 | S | S | . | . | trans | -72.2 | 173.1 | 160.4 | 71.3 | 42.6 | 0 | 0 | 0 | 110.8 | T221 Q222 L223 | D219-T221 VanDerWaalsContact C-N 3.27Å; D219-T221 PolarHBondContact O-N 3.21Å; D219-T221 WeakPolarHBondContact OD1-CA 3.39Å; D219-T221 WeakPolarHBondContact OD1-CB 3.32Å; D219-T221 PolarHBondContact OD1-N 3.23Å; D219-Q222 PolarHBondContact O-N 3.39Å; D219-Q222 WeakPolarHBondContact OD1-CG 3.45Å; D219-Q222 PolarHBondContact OD1-N 3.35Å; D219-L223 WeakPolarHBondContact O-CB 3.28Å; D219-L223 PolarHBondContact O-N 3.34Å | ||
| 220 | K | 88 | Confident | 89.3 | Confident | 157 Ų | 157 | 62.2 Ų | 62.2 | 68% | 0.683 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -57.4 | -40.1 | -177.5 | -173.6 | 179.5 | 176.9 | -173.3 | 0 | 112.6 | L223 E224 | K220-L223 PolarHBondContact O-N 2.96Å; K220-E224 WeakPolarHBondContact CE-OE1 3.48Å; K220-E224 VanDerWaalsContact O-CG 3.29Å; K220-E224 WeakPolarHBondContact O-CG 3.23Å; K220-E224 PolarHBondContact O-N 2.96Å |
| 221 | T | 88.6 | Confident | 89 | Confident | 85 Ų | 85 | 65.1 Ų | 65.1 | 52% | 0.521 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -72.2 | -40.7 | -178.7 | -61.1 | 0 | 0 | 0 | 0 | 111 | D219 L223 E224 I225 | D219-T221 VanDerWaalsContact C-N 3.27Å; D219-T221 PolarHBondContact O-N 3.21Å; D219-T221 WeakPolarHBondContact OD1-CA 3.39Å; D219-T221 WeakPolarHBondContact OD1-CB 3.32Å; D219-T221 PolarHBondContact OD1-N 3.23Å; T221-L223 VanDerWaalsContact C-N 3.33Å; T221-E224 PolarHBondContact O-N 3.43Å; T221-I225 HydrophobicContact CG2-CD1 4.14Å; T221-I225 VanDerWaalsContact O-CG1 3.32Å; T221-I225 WeakPolarHBondContact O-CG1 3.28Å; T221-I225 PolarHBondContact O-N 3.38Å |
| 222 | Q | 86.4 | Confident | 88.6 | Confident | 98 Ų | 98 | 68.5 Ų | 68.5 | 46% | 0.458 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62.9 | -40.7 | 174.3 | -68.9 | 175 | -41.4 | 0 | 0 | 111.6 | C218 D219 I225 L226 | C218-Q222 HydrophobicContact CB-CB 3.95Å; D219-Q222 PolarHBondContact O-N 3.39Å; D219-Q222 WeakPolarHBondContact OD1-CG 3.45Å; D219-Q222 PolarHBondContact OD1-N 3.35Å; Q222-I225 PolarHBondContact O-N 3.07Å; Q222-L226 VanDerWaalsContact O-CB 3.27Å; Q222-L226 WeakPolarHBondContact O-CB 3.18Å; Q222-L226 PolarHBondContact O-N 3.43Å |
| 223 | L | 88.8 | Confident | 88.1 | Confident | 34 Ų | 34 | 61.3 Ų | 61.3 | 18% | 0.178 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -65.5 | -42.6 | 176 | -178 | 62.6 | 0 | 0 | 0 | 111.5 | V207 E208 C218 D219 K220 T221 I225 L226 V227 | V207-L223 HydrophobicContact CG1-CD1 4.1Å; E208-L223 HydrophobicContact CB-CD1 4.25Å; E208-L223 HydrophobicContact CB-CD2 4.04Å; E208-L223 HydrophobicContact CG-CD2 3.91Å; C218-L223 HydrophobicContact CB-CB 4.24Å; D219-L223 WeakPolarHBondContact O-CB 3.28Å; D219-L223 PolarHBondContact O-N 3.34Å; K220-L223 PolarHBondContact O-N 2.96Å; T221-L223 VanDerWaalsContact C-N 3.33Å; L223-I225 VanDerWaalsContact C-N 3.35Å; L223-I225 PolarHBondContact O-N 3.43Å; L223-L226 HydrophobicContact CD1-CD2 4.49Å; L223-L226 WeakPolarHBondContact O-CB 3.24Å; L223-L226 PolarHBondContact O-N 3.36Å; L223-V227 HydrophobicContact CD1-CG2 4.37Å; L223-V227 VanDerWaalsContact O-CG2 3.25Å; L223-V227 WeakPolarHBondContact O-CG2 3.41Å; L223-V227 PolarHBondContact O-N 3.44Å |
| 224 | E | 90.6 | Very high | 87.5 | Confident | 107 Ų | 107 | 60 Ų | 60 | 50% | 0.5 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -59.3 | -44.6 | 175.1 | -76.1 | 168.7 | -178.6 | 0 | 0 | 111.7 | K220 T221 V227 E228 | K220-E224 WeakPolarHBondContact CE-OE1 3.48Å; K220-E224 VanDerWaalsContact O-CG 3.29Å; K220-E224 WeakPolarHBondContact O-CG 3.23Å; K220-E224 PolarHBondContact O-N 2.96Å; T221-E224 PolarHBondContact O-N 3.43Å; E224-V227 PolarHBondContact O-N 3.07Å; E224-E228 WeakPolarHBondContact O-CB 3.44Å; E224-E228 PolarHBondContact O-N 2.82Å |
| 225 | I | 88.9 | Confident | 87.1 | Confident | 93 Ų | 93 | 63.6 Ų | 63.6 | 48% | 0.477 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.9 | -44.1 | 175.2 | -67.7 | 165 | 0 | 0 | 0 | 110.7 | T221 Q222 L223 V227 E228 N229 | T221-I225 HydrophobicContact CG2-CD1 4.14Å; T221-I225 VanDerWaalsContact O-CG1 3.32Å; T221-I225 WeakPolarHBondContact O-CG1 3.28Å; T221-I225 PolarHBondContact O-N 3.38Å; Q222-I225 PolarHBondContact O-N 3.07Å; L223-I225 VanDerWaalsContact C-N 3.35Å; L223-I225 PolarHBondContact O-N 3.43Å; I225-V227 VanDerWaalsContact C-N 3.33Å; I225-V227 PolarHBondContact O-N 2.93Å; I225-E228 PolarHBondContact O-N 3.3Å; I225-N229 VanDerWaalsContact O-CB 3.24Å; I225-N229 WeakPolarHBondContact O-CB 2.8Å; I225-N229 PolarHBondContact O-N 3.28Å; I225-N229 PolarHBondContact O-OD1 3.26Å |
| 226 | L | 87 | Confident | 86.6 | Confident | 14 Ų | 14 | 64.8 Ų | 64.8 | 7% | 0.073 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62.3 | -40.8 | -179.8 | -174.3 | 66.8 | 0 | 0 | 0 | 112.1 | L67 V68 V207 A211 Q222 L223 N229 C230 | L67-L226 HydrophobicContact CD2-CD1 3.22Å; L67-L226 HydrophobicContact CD2-CG 4.42Å; V68-L226 HydrophobicContact CG1-CD2 4.2Å; V68-L226 HydrophobicContact CG2-CD1 4.11Å; V68-L226 HydrophobicContact CG2-CD2 4Å; V68-L226 HydrophobicContact CG2-CG 4.16Å; V207-L226 HydrophobicContact CG1-CB 4.41Å; V207-L226 HydrophobicContact CG1-CD2 3.66Å; V207-L226 HydrophobicContact CG1-CG 3.74Å; A211-L226 HydrophobicContact CB-CD2 4.47Å; Q222-L226 VanDerWaalsContact O-CB 3.27Å; Q222-L226 WeakPolarHBondContact O-CB 3.18Å; Q222-L226 PolarHBondContact O-N 3.43Å; L223-L226 HydrophobicContact CD1-CD2 4.49Å; L223-L226 WeakPolarHBondContact O-CB 3.24Å; L223-L226 PolarHBondContact O-N 3.36Å; L226-N229 WeakPolarHBondContact O-CB 3.2Å; L226-C230 WeakPolarHBondContact O-CB 3.44Å; L226-C230 PolarHBondContact O-N 3.2Å; L226-C230 PolarHBondContact O-SG 3.3Å |
| 227 | V | 90.6 | Very high | 85.9 | Confident | 34 Ų | 34 | 64 Ų | 64 | 21% | 0.206 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -65.1 | -44.6 | 175.7 | 172 | 0 | 0 | 0 | 0 | 111 | V207 L223 E224 I225 C230 N231 | V207-V227 HydrophobicContact CB-CG2 3.88Å; V207-V227 HydrophobicContact CG1-CG2 3.86Å; V207-V227 HydrophobicContact CG2-CG2 4.41Å; L223-V227 HydrophobicContact CD1-CG2 4.37Å; L223-V227 VanDerWaalsContact O-CG2 3.25Å; L223-V227 WeakPolarHBondContact O-CG2 3.41Å; L223-V227 PolarHBondContact O-N 3.44Å; E224-V227 PolarHBondContact O-N 3.07Å; I225-V227 VanDerWaalsContact C-N 3.33Å; I225-V227 PolarHBondContact O-N 2.93Å; V227-C230 PolarHBondContact O-N 2.85Å; V227-N231 WeakPolarHBondContact O-CB 3.35Å; V227-N231 PolarHBondContact O-N 3.38Å |
| 228 | E | 90.6 | Very high | 85.5 | Confident | 92 Ų | 92 | 61 Ų | 61 | 43% | 0.43 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.6 | -45 | 177.4 | -180 | 56.9 | -153.3 | 0 | 0 | 111.4 | E224 I225 C230 N231 Q232 | E224-E228 WeakPolarHBondContact O-CB 3.44Å; E224-E228 PolarHBondContact O-N 2.82Å; I225-E228 PolarHBondContact O-N 3.3Å; E228-C230 PolarHBondContact O-N 3.46Å; E228-N231 WeakPolarHBondContact O-CB 3.45Å; E228-N231 PolarHBondContact O-N 3.34Å; E228-N231 VanDerWaalsContact O-N 3.1Å; E228-Q232 WeakPolarHBondContact O-CG 3.24Å; E228-Q232 PolarHBondContact O-N 2.99Å; E228-Q232 PolarHBondContact OE1-NE2 3.38Å |
| 229 | N | 87.4 | Confident | 85 | Confident | 34 Ų | 34 | 64.5 Ų | 64.5 | 18% | 0.182 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -56.7 | -48.2 | 174.7 | -80.9 | 5.6 | 0 | 0 | 0 | 112.3 | L67 P74 I225 L226 N231 Q232 L233 | L67-N229 HydrophobicContact CD1-CB 4.19Å; L67-N229 HydrophobicContact CD2-CB 4.14Å; P74-N229 WeakPolarHBondContact CD-ND2 3.49Å; P74-N229 HydrophobicContact CG-CB 3.41Å; P74-N229 VanDerWaalsContact CG-CB 3.41Å; P74-N229 WeakPolarHBondContact CG-ND2 3.49Å; P74-N229 WeakPolarHBondContact CG-OD1 3.48Å; I225-N229 VanDerWaalsContact O-CB 3.24Å; I225-N229 WeakPolarHBondContact O-CB 2.8Å; I225-N229 PolarHBondContact O-N 3.28Å; I225-N229 PolarHBondContact O-OD1 3.26Å; L226-N229 WeakPolarHBondContact O-CB 3.2Å; N229-N231 VanDerWaalsContact C-N 3.32Å; N229-N231 PolarHBondContact O-N 3.21Å; N229-Q232 PolarHBondContact O-N 2.92Å; N229-L233 WeakPolarHBondContact O-CB 3.39Å; N229-L233 PolarHBondContact O-N 3.45Å |
| 230 | C | 86.7 | Confident | 84 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61.9 | -39 | 174.2 | -72.7 | 0 | 0 | 0 | 0 | 112 | L203 V207 L226 V227 E228 L233 I234 | L203-C230 HydrophobicContact CD1-CB 4.45Å; L203-C230 HydrophobicContact CD2-CB 4.01Å; L203-C230 HydrophobicContact CG-CB 4.49Å; V207-C230 HydrophobicContact CG2-CB 4.13Å; L226-C230 WeakPolarHBondContact O-CB 3.44Å; L226-C230 PolarHBondContact O-N 3.2Å; L226-C230 PolarHBondContact O-SG 3.3Å; V227-C230 PolarHBondContact O-N 2.85Å; E228-C230 PolarHBondContact O-N 3.46Å; C230-L233 PolarHBondContact O-N 2.96Å; C230-I234 WeakPolarHBondContact O-CD1 3.28Å; C230-I234 WeakPolarHBondContact O-CG1 3.4Å; C230-I234 PolarHBondContact O-N 2.87Å |
| 231 | N | 88.4 | Confident | 82.7 | Confident | 62 Ų | 62 | 62.1 Ų | 62.1 | 33% | 0.332 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -65.4 | -44.8 | 179.4 | -167 | 33.8 | 0 | 0 | 0 | 111.4 | L203 V227 E228 N229 L233 I234 E235 | L203-N231 HydrophobicContact CD2-CB 3.76Å; V227-N231 WeakPolarHBondContact O-CB 3.35Å; V227-N231 PolarHBondContact O-N 3.38Å; E228-N231 WeakPolarHBondContact O-CB 3.45Å; E228-N231 PolarHBondContact O-N 3.34Å; E228-N231 VanDerWaalsContact O-N 3.1Å; N229-N231 VanDerWaalsContact C-N 3.32Å; N229-N231 PolarHBondContact O-N 3.21Å; N231-L233 VanDerWaalsContact C-N 3.35Å; N231-L233 PolarHBondContact O-N 3.17Å; N231-I234 PolarHBondContact O-N 3.31Å; N231-E235 PolarHBondContact O-N 3.43Å |
| 232 | Q | 85.6 | Confident | 81.1 | Confident | 74 Ų | 74 | 60.9 Ų | 60.9 | 35% | 0.346 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60.2 | -44.4 | 176 | -70.3 | 176.3 | 13.8 | 0 | 0 | 111.8 | E228 N229 E235 Q236 | E228-Q232 WeakPolarHBondContact O-CG 3.24Å; E228-Q232 PolarHBondContact O-N 2.99Å; E228-Q232 PolarHBondContact OE1-NE2 3.38Å; N229-Q232 PolarHBondContact O-N 2.92Å; Q232-E235 PolarHBondContact O-N 2.98Å; Q232-Q236 VanDerWaalsContact O-CG 3.28Å; Q232-Q236 WeakPolarHBondContact O-CG 3.36Å; Q232-Q236 PolarHBondContact O-N 3.11Å |
| 233 | L | 82.7 | Confident | 79 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -58.8 | -47.6 | 174.7 | 177.6 | 67.7 | 0 | 0 | 0 | 111.7 | E63 V64 L67 I77 N229 C230 N231 E235 Q236 C237 | E63-L233 HydrophobicContact CB-CD1 4.33Å; E63-L233 HydrophobicContact CB-CD2 3.47Å; E63-L233 VanDerWaalsContact CB-CD2 3.47Å; E63-L233 HydrophobicContact CB-CG 4.24Å; E63-L233 WeakPolarHBondContact OE2-CD1 3.43Å; V64-L233 HydrophobicContact CG2-CD2 4.41Å; L67-L233 HydrophobicContact CD1-CD2 4.03Å; I77-L233 HydrophobicContact CG2-CD1 4.31Å; N229-L233 WeakPolarHBondContact O-CB 3.39Å; N229-L233 PolarHBondContact O-N 3.45Å; C230-L233 PolarHBondContact O-N 2.96Å; N231-L233 VanDerWaalsContact C-N 3.35Å; N231-L233 PolarHBondContact O-N 3.17Å; L233-E235 VanDerWaalsContact C-N 3.33Å; L233-E235 PolarHBondContact O-N 3.03Å; L233-Q236 PolarHBondContact O-N 3.17Å; L233-C237 PolarHBondContact O-N 2.92Å; L233-C237 PolarHBondContact O-SG 3.42Å |
| 234 | I | 83.1 | Confident | 77.1 | Confident | 8 Ų | 8 | 63 Ų | 63 | 4% | 0.041 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -58.1 | -45.7 | 176.8 | -67.3 | 164.5 | 0 | 0 | 0 | 111 | L60 F200 L203 C230 N231 Q236 C237 C238 | L60-I234 HydrophobicContact CD1-CB 4.28Å; L60-I234 HydrophobicContact CD1-CG1 3.72Å; L60-I234 HydrophobicContact CD2-CB 4.36Å; L60-I234 HydrophobicContact CD2-CG1 3.91Å; L60-I234 HydrophobicContact CD2-CG2 3.98Å; L60-I234 HydrophobicContact CG-CG1 4Å; F200-I234 HydrophobicContact CD1-CG2 4.3Å; F200-I234 HydrophobicContact CE1-CG2 3.61Å; F200-I234 HydrophobicContact CZ-CG2 4.2Å; L203-I234 HydrophobicContact CD1-CD1 3.62Å; L203-I234 HydrophobicContact CD2-CD1 3.73Å; L203-I234 HydrophobicContact CG-CD1 4.31Å; C230-I234 WeakPolarHBondContact O-CD1 3.28Å; C230-I234 WeakPolarHBondContact O-CG1 3.4Å; C230-I234 PolarHBondContact O-N 2.87Å; N231-I234 PolarHBondContact O-N 3.31Å; I234-Q236 PolarHBondContact O-N 3.23Å; I234-C237 PolarHBondContact O-N 3.39Å; I234-C238 WeakPolarHBondContact O-CB 3.35Å; I234-C238 PolarHBondContact O-N 3.05Å; I234-C238 PolarHBondContact O-SG 3.09Å |
| 235 | E | 84.3 | Confident | 74.8 | Confident | 93 Ų | 93 | 63.3 Ų | 63.3 | 44% | 0.435 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62.3 | -41.3 | 177.1 | -74 | -167.7 | -169.4 | 0 | 0 | 113 | N231 Q232 L233 K239 | N231-E235 PolarHBondContact O-N 3.43Å; Q232-E235 PolarHBondContact O-N 2.98Å; L233-E235 VanDerWaalsContact C-N 3.33Å; L233-E235 PolarHBondContact O-N 3.03Å; E235-K239 WeakPolarHBondContact O-CB 3.38Å; E235-K239 WeakPolarHBondContact O-CD 3.33Å; E235-K239 VanDerWaalsContact O-CG 3.23Å; E235-K239 WeakPolarHBondContact O-CG 3.49Å; E235-K239 PolarHBondContact O-N 3.26Å; E235-K239 IonicContact OE2-NZ 3.92Å; E235-K239 PolarHBondContact OE2-NZ 3.11Å; E235-K239 VanDerWaalsContact OE2-NZ 3.13Å |
| 236 | Q | 80.1 | Confident | 72.2 | Confident | 79 Ų | 79 | 62.3 Ų | 62.3 | 37% | 0.369 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -62.6 | -46.4 | 177.7 | -72.4 | 175.1 | 10.2 | 0 | 0 | 111 | Q232 L233 I234 K239 S240 | Q232-Q236 VanDerWaalsContact O-CG 3.28Å; Q232-Q236 WeakPolarHBondContact O-CG 3.36Å; Q232-Q236 PolarHBondContact O-N 3.11Å; L233-Q236 PolarHBondContact O-N 3.17Å; I234-Q236 PolarHBondContact O-N 3.23Å; Q236-K239 PolarHBondContact O-N 3.3Å; Q236-S240 PolarHBondContact O-N 3.24Å |
| 237 | C | 74.4 | Confident | 69.7 | Low | 30 Ų | 30 | 66 Ų | 66 | 20% | 0.203 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -65 | -42.2 | 178.8 | -69.8 | 0 | 0 | 0 | 0 | 112 | L60 E63 L233 I234 K239 S240 E241 | L60-C237 HydrophobicContact CD1-CB 4.09Å; E63-C237 PolarHBondContact OE2-SG 3Å; L233-C237 PolarHBondContact O-N 2.92Å; L233-C237 PolarHBondContact O-SG 3.42Å; I234-C237 PolarHBondContact O-N 3.39Å; C237-K239 VanDerWaalsContact C-N 3.31Å; C237-K239 PolarHBondContact O-N 3.45Å; C237-S240 PolarHBondContact O-N 3.37Å; C237-E241 PolarHBondContact O-N 2.92Å |
| 238 | C | 74.7 | Confident | 67 | Low | 53 Ų | 53 | 71.3 Ų | 71.3 | 36% | 0.358 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -61.2 | -37.8 | 173.6 | -71.5 | 0 | 0 | 0 | 0 | 112.8 | I234 A242 | I234-C238 WeakPolarHBondContact O-CB 3.35Å; I234-C238 PolarHBondContact O-N 3.05Å; I234-C238 PolarHBondContact O-SG 3.09Å; C238-A242 WeakPolarHBondContact O-CB 3.32Å; C238-A242 PolarHBondContact O-N 2.92Å; C238-A242 VanDerWaalsContact O-N 3.07Å |
| 239 | K | 70.9 | Confident | 64.1 | Low | 120 Ų | 120 | 76.8 Ų | 76.8 | 52% | 0.522 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -68.6 | -42.4 | 176.2 | -72.3 | 164.8 | -167.7 | 159.5 | 0 | 111.5 | E235 Q236 C237 A242 L243 | E235-K239 WeakPolarHBondContact O-CB 3.38Å; E235-K239 WeakPolarHBondContact O-CD 3.33Å; E235-K239 VanDerWaalsContact O-CG 3.23Å; E235-K239 WeakPolarHBondContact O-CG 3.49Å; E235-K239 PolarHBondContact O-N 3.26Å; E235-K239 IonicContact OE2-NZ 3.92Å; E235-K239 PolarHBondContact OE2-NZ 3.11Å; E235-K239 VanDerWaalsContact OE2-NZ 3.13Å; Q236-K239 PolarHBondContact O-N 3.3Å; C237-K239 VanDerWaalsContact C-N 3.31Å; C237-K239 PolarHBondContact O-N 3.45Å; K239-A242 PolarHBondContact O-N 3.19Å; K239-L243 VanDerWaalsContact O-CG 3.28Å; K239-L243 WeakPolarHBondContact O-CG 3.49Å; K239-L243 PolarHBondContact O-N 2.69Å |
| 240 | S | 66.5 | Low | 62.9 | Low | 78 Ų | 78 | 79 Ų | 79 | 55% | 0.545 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -62.8 | -46.1 | 176.9 | -175.6 | 0 | 0 | 0 | 0 | 112 | Q236 C237 A242 L243 S244 | Q236-S240 PolarHBondContact O-N 3.24Å; C237-S240 PolarHBondContact O-N 3.37Å; S240-A242 PolarHBondContact O-N 2.83Å; S240-L243 PolarHBondContact O-N 3.31Å; S240-S244 PolarHBondContact O-N 3.33Å |
| 241 | E | 60.1 | Low | 61.7 | Low | 116 Ų | 116 | 83.1 Ų | 83.1 | 54% | 0.542 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -60.3 | -44.2 | 175 | -74.8 | -169.6 | 160.2 | 0 | 0 | 111.4 | C237 L243 S244 I245 | C237-E241 PolarHBondContact O-N 2.92Å; E241-L243 VanDerWaalsContact C-N 3.34Å; E241-L243 PolarHBondContact O-N 3.42Å; E241-S244 PolarHBondContact O-N 3.48Å; E241-S244 PolarHBondContact O-OG 3.22Å; E241-I245 VanDerWaalsContact O-CG1 3.32Å; E241-I245 WeakPolarHBondContact O-CG1 3.4Å; E241-I245 PolarHBondContact O-N 3.39Å |
| 242 | A | 55.2 | Low | 60.2 | Low | 59 Ų | 59 | 84.3 Ų | 84.3 | 49% | 0.488 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.2 | -40.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | C238 K239 S240 I245 S246 | C238-A242 WeakPolarHBondContact O-CB 3.32Å; C238-A242 PolarHBondContact O-N 2.92Å; C238-A242 VanDerWaalsContact O-N 3.07Å; K239-A242 PolarHBondContact O-N 3.19Å; S240-A242 PolarHBondContact O-N 2.83Å; A242-I245 PolarHBondContact O-N 3.04Å; A242-S246 PolarHBondContact O-N 3.29Å |
| 243 | L | 43.2 | Very low | 58.7 | Low | 117 Ų | 117 | 84.9 Ų | 84.9 | 61% | 0.613 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -66.9 | -39.2 | 176.3 | -70.9 | 168.7 | 0 | 0 | 0 | 111.8 | K239 S240 E241 I245 S246 S247 | K239-L243 VanDerWaalsContact O-CG 3.28Å; K239-L243 WeakPolarHBondContact O-CG 3.49Å; K239-L243 PolarHBondContact O-N 2.69Å; S240-L243 PolarHBondContact O-N 3.31Å; E241-L243 VanDerWaalsContact C-N 3.34Å; E241-L243 PolarHBondContact O-N 3.42Å; L243-I245 VanDerWaalsContact C-N 3.31Å; L243-I245 PolarHBondContact O-N 3.44Å; L243-S246 WeakPolarHBondContact CA-OG 3.46Å; L243-S246 PolarHBondContact O-N 3.24Å; L243-S246 PolarHBondContact O-OG 2.87Å; L243-S247 PolarHBondContact O-N 2.89Å; L243-S247 PolarHBondContact O-OG 2.87Å |
| 244 | S | 47.9 | Very low | 57.2 | Low | 61 Ų | 61 | 90.2 Ų | 90.2 | 43% | 0.427 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.1 | -33.7 | 175.5 | 78.8 | 0 | 0 | 0 | 0 | 112.9 | S240 E241 S247 L248 | S240-S244 PolarHBondContact O-N 3.33Å; E241-S244 PolarHBondContact O-N 3.48Å; E241-S244 PolarHBondContact O-OG 3.22Å; S244-S247 PolarHBondContact O-OG 2.68Å; S244-S247 VanDerWaalsContact O-OG 3.11Å; S244-L248 WeakPolarHBondContact O-CD1 3.39Å; S244-L248 WeakPolarHBondContact O-CG 3.48Å |
| 245 | I | 42.6 | Very low | 55.5 | Low | 112 Ų | 112 | 95.7 Ų | 95.7 | 57% | 0.574 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -75.3 | -37.8 | 176.8 | -65.6 | 164.4 | 0 | 0 | 0 | 110.7 | E241 A242 L243 S247 L248 | E241-I245 VanDerWaalsContact O-CG1 3.32Å; E241-I245 WeakPolarHBondContact O-CG1 3.4Å; E241-I245 PolarHBondContact O-N 3.39Å; A242-I245 PolarHBondContact O-N 3.04Å; L243-I245 VanDerWaalsContact C-N 3.31Å; L243-I245 PolarHBondContact O-N 3.44Å; I245-S247 VanDerWaalsContact C-N 3.32Å; I245-S247 PolarHBondContact O-N 3.21Å; I245-L248 PolarHBondContact O-N 3.38Å |
| 246 | S | 34.7 | Very low | 53.4 | Low | 73 Ų | 73 | 95.9 Ų | 95.9 | 51% | 0.51 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -69.6 | -25.4 | -179.9 | 70.4 | 0 | 0 | 0 | 0 | 114.4 | A242 L243 L248 | A242-S246 PolarHBondContact O-N 3.29Å; L243-S246 WeakPolarHBondContact CA-OG 3.46Å; L243-S246 PolarHBondContact O-N 3.24Å; L243-S246 PolarHBondContact O-OG 2.87Å; S246-L248 VanDerWaalsContact C-N 3.32Å |
| 247 | S | 33.7 | Very low | 51.4 | Low | 92 Ų | 92 | 97.2 Ų | 97.2 | 64% | 0.643 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.6 | -2.1 | 179.2 | 46 | 0 | 0 | 0 | 0 | 113.9 | L243 S244 I245 | L243-S247 PolarHBondContact O-N 2.89Å; L243-S247 PolarHBondContact O-OG 2.87Å; S244-S247 PolarHBondContact O-OG 2.68Å; S244-S247 VanDerWaalsContact O-OG 3.11Å; I245-S247 VanDerWaalsContact C-N 3.32Å; I245-S247 PolarHBondContact O-N 3.21Å |
| 248 | L | 35.2 | Very low | 49.4 | Very low | 144 Ų | 144 | 102.8 Ų | 102.8 | 75% | 0.754 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100 | 7.2 | 176.4 | -72.2 | 166.9 | 0 | 0 | 0 | 113.5 | S244 I245 S246 | S244-L248 WeakPolarHBondContact O-CD1 3.39Å; S244-L248 WeakPolarHBondContact O-CG 3.48Å; I245-L248 PolarHBondContact O-N 3.38Å; S246-L248 VanDerWaalsContact C-N 3.32Å |
| 249 | N | 28.7 | Very low | 47.2 | Very low | 208 Ų | 208 | 107.3 Ų | 107.3 | 100% | 1.112 | 61% | 0.612 | S | S | * | * | trans | -102.9 | 0 | 175 | -77 | -24.2 | 0 | 0 | 0 | 112.3 |
Retrieved 249 of 249 residues in 178.5 ms
(Link to these results)