| 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 | 38.6 | Very low | 69.2 | Low | 241 Ų | 241 | 104.2 Ų | 104.2 | 100% | 1.187 | 58% | 0.578 | S | S | * | * | 0 | 106.6 | 0 | -65.6 | 175.5 | -167.2 | 0 | 0 | 106.9 | S3 | M1-S3 PolarHBondContact O-N 3.29Š| |||
| 2 | S | 37.3 | Very low | 71.7 | Confident | 124 Ų | 124 | 96.1 Ų | 96.1 | 87% | 0.867 | 53% | 0.532 | S | S | * | . | trans | -70.4 | 106.2 | -179.4 | 173.2 | 0 | 0 | 0 | 0 | 108.6 | S4 | S2-S4 PolarHBondContact O-N 3.47Š| ||
| 3 | S | 43.8 | Very low | 73.7 | Confident | 91 Ų | 91 | 95.1 Ų | 95.1 | 64% | 0.636 | 52% | 0.521 | S | S | * | . | trans | -70 | 106.3 | 166.3 | 57.6 | 0 | 0 | 0 | 0 | 107.1 | M1 H5 | M1-S3 PolarHBondContact O-N 3.29Å; S3-H5 PolarHBondContact O-N 3.31Å | ||
| 4 | S | 50.8 | Low | 75.5 | Confident | 111 Ų | 111 | 89.1 Ų | 89.1 | 78% | 0.776 | 49% | 0.487 | S | S | * | . | trans | -55 | 111.3 | 167.5 | 42.3 | 0 | 0 | 0 | 0 | 108.1 | S2 K6 | S2-S4 PolarHBondContact O-N 3.47Å; S4-K6 VanDerWaalsContact C-N 3.35Å; S4-K6 PolarHBondContact O-N 3.05Å | ||
| 5 | H | 58.4 | Low | 77 | Confident | 174 Ų | 174 | 88.7 Ų | 88.7 | 81% | 0.806 | 49% | 0.489 | S | S | * | . | trans | -63.5 | 100.9 | 169.9 | -77.6 | -16.5 | 0 | 0 | 0 | 107.3 | S3 S7 | S3-H5 PolarHBondContact O-N 3.31Å; H5-S7 PolarHBondContact O-N 3.44Å | ||
| 6 | K | 65.4 | Low | 78.4 | Confident | 153 Ų | 153 | 83.5 Ų | 83.5 | 67% | 0.665 | 46% | 0.46 | S | S | * | . | trans | -59.6 | 105.4 | 171.5 | -170.9 | 173.8 | -177.6 | 180 | 0 | 107.2 | S4 W8 | S4-K6 VanDerWaalsContact C-N 3.35Å; S4-K6 PolarHBondContact O-N 3.05Å; K6-W8 PolarHBondContact O-N 3.33Å | ||
| 7 | S | 83.9 | Confident | 79.5 | Confident | 85 Ų | 85 | 84 Ų | 84 | 59% | 0.594 | 46% | 0.457 | S | S | * | . | trans | -83.8 | 108.5 | 175 | 72.3 | 0 | 0 | 0 | 0 | 108.5 | H5 | H5-S7 PolarHBondContact O-N 3.44Š| ||
| 8 | W | 91.5 | Very high | 80.6 | Confident | 59 Ų | 59 | 81.1 Ų | 81.1 | 22% | 0.223 | 44% | 0.441 | C | S | . | . | trans | -77.2 | 133.1 | 171.4 | -59.8 | -53.3 | 0 | 0 | 0 | 110.1 | K6 F14 D113 K116 F117 | K6-W8 PolarHBondContact O-N 3.33Å; W8-F14 HydrophobicContact CB-CE2 4.1Å; W8-F14 HydrophobicContact CB-CZ 3.69Å; W8-F14 AromaticContact CD1-CZ 3.78Å; W8-F14 AromaticContact CD2-CE1 3.55Å; W8-F14 HydrophobicContact CD2-CE1 3.55Å; W8-F14 HydrophobicContact CD2-CE2 4.47Å; W8-F14 AromaticContact CD2-CZ 3.33Å; W8-F14 HydrophobicContact CD2-CZ 3.33Å; W8-F14 AromaticContact CE2-CE1 3.52Å; W8-F14 AromaticContact CE2-CZ 3.8Å; W8-F14 AromaticContact CE3-CE1 3.88Å; W8-F14 HydrophobicContact CE3-CE1 3.88Å; W8-F14 AromaticContact CE3-CZ 3.68Å; W8-F14 HydrophobicContact CE3-CZ 3.68Å; W8-F14 AromaticContact CG-CE1 3.95Å; W8-F14 HydrophobicContact CG-CE1 3.95Å; W8-F14 HydrophobicContact CG-CE2 4.11Å; W8-F14 AromaticContact CG-CZ 3.35Å; W8-F14 HydrophobicContact CG-CZ 3.35Å; W8-F14 HydrophobicContact CH2-CE1 4.17Å; W8-F14 AromaticContact CZ2-CE1 3.86Å; W8-F14 HydrophobicContact CZ2-CE1 3.86Å; W8-F14 HydrophobicContact CZ3-CE1 4.17Å; W8-F14 HydrophobicContact CZ3-CZ 4.37Å; W8-F14 AromaticContact NE1-CE1 3.84Å; W8-D113 HydrophobicContact CH2-CB 3.4Å; W8-D113 VanDerWaalsContact CH2-CG 3.41Å; W8-D113 HydrophobicContact CZ2-CB 3.6Å; W8-D113 HydrophobicContact CZ3-CB 4.3Å; W8-K116 HydrophobicContact CZ3-CB 4.3Å; W8-F117 HydrophobicContact CB-CD2 3.6Å; W8-F117 HydrophobicContact CB-CE2 3.88Å; W8-F117 HydrophobicContact CB-CG 4.28Å; W8-F117 HydrophobicContact CE3-CB 3.78Å; W8-F117 HydrophobicContact CE3-CD2 4.35Å; W8-F117 HydrophobicContact CE3-CG 4.46Å; W8-F117 HydrophobicContact CZ3-CB 4.27Å; W8-F117 VanDerWaalsContact O-CE2 3.31Å; W8-F117 WeakPolarHBondContact O-CE2 3.47Å | ||
| 9 | N | 95.3 | Very high | 81.6 | Confident | 95 Ų | 95 | 77.5 Ų | 77.5 | 51% | 0.508 | 42% | 0.421 | S | S | . | . | trans | -106.5 | -33.1 | -179.9 | -65.3 | -64.9 | 0 | 0 | 0 | 112 | E13 R121 Q144 | N9-E13 WeakPolarHBondContact CA-OE2 3.5Å; N9-E13 WeakPolarHBondContact CB-OE2 3.4Å; N9-E13 PolarHBondContact N-OE2 3.11Å; N9-R121 PolarHBondContact O-NH1 2.55Å; N9-Q144 VanDerWaalsContact O-CD 3.28Å; N9-Q144 PolarHBondContact O-NE2 3.02Å; N9-Q144 PolarHBondContact O-OE1 3.29Å | ||
| 10 | S | 98.1 | Very high | 82.4 | Confident | 13 Ų | 13 | 78.3 Ų | 78.3 | 9% | 0.091 | 43% | 0.425 | C | S | . | . | S | Bend | trans | -143.7 | 163.2 | 180 | 83.9 | 0 | 0 | 0 | 0 | 112.7 | Y12 E13 F14 G143 | S10-Y12 PolarHBondContact O-N 3.15Å; S10-Y12 VanDerWaalsContact O-N 3.13Å; S10-Y12 WeakPolarHBondContact OG-CB 3.36Å; S10-Y12 WeakPolarHBondContact OG-CD2 3.39Å; S10-Y12 PolarHBondContact OG-N 2.7Å; S10-Y12 VanDerWaalsContact OG-N 3.09Å; S10-E13 PolarHBondContact N-OE2 2.71Å; S10-E13 PolarHBondContact O-N 2.7Å; S10-F14 VanDerWaalsContact O-CE2 3.28Å; S10-F14 WeakPolarHBondContact O-CE2 2.97Å; S10-G143 CarbonylContact C-O 3.56Å; S10-G143 WeakPolarHBondContact CA-O 3.2Å; S10-G143 WeakPolarHBondContact CB-O 3.43Å |
| 11 | I | 98.6 | Very high | 83.2 | Confident | 0 Ų | 0 | 76.3 Ų | 76.3 | 0% | 0 | 42% | 0.423 | C | S | . | . | G | 310 helix | trans | -61.7 | -18.3 | 172.7 | 68.3 | 158.6 | 0 | 0 | 0 | 113 | E13 F14 L26 C34 I36 L114 F117 L118 V139 G143 P145 | I11-E13 PolarHBondContact O-N 3.16Å; I11-F14 WeakPolarHBondContact O-CD2 3.42Å; I11-F14 PolarHBondContact O-N 3.13Å; I11-L26 HydrophobicContact CB-CD1 4.38Å; I11-L26 WeakPolarHBondContact O-CB 3.27Å; I11-C34 HydrophobicContact CD1-CB 4.38Å; I11-I36 HydrophobicContact CD1-CD1 4.43Å; I11-I36 HydrophobicContact CG2-CD1 4.38Å; I11-L114 HydrophobicContact CB-CD1 4.17Å; I11-L114 HydrophobicContact CG2-CD1 4Å; I11-F117 HydrophobicContact CG2-CD1 4.25Å; I11-F117 HydrophobicContact CG2-CE1 3.88Å; I11-L118 HydrophobicContact CG2-CD2 4.16Å; I11-V139 HydrophobicContact CD1-CB 4.44Å; I11-V139 HydrophobicContact CD1-CG1 3.8Å; I11-V139 HydrophobicContact CG1-CG1 3.94Å; I11-V139 HydrophobicContact CG2-CG1 4.08Å; I11-V139 HydrophobicContact CG2-CG2 4.16Å; I11-G143 PolarHBondContact N-O 2.95Å; I11-P145 HydrophobicContact CG2-CG 4.4Å |
| 12 | Y | 98.3 | Very high | 86 | Confident | 7 Ų | 7 | 69 Ų | 69 | 3% | 0.027 | 39% | 0.391 | C | S | . | . | G | 310 helix | trans | -70.8 | -15.4 | -176.2 | -53.2 | -38.8 | 0 | 0 | 0 | 113.4 | S10 F14 L26 E27 R30 G31 R141 Q142 G143 | S10-Y12 PolarHBondContact O-N 3.15Å; S10-Y12 VanDerWaalsContact O-N 3.13Å; S10-Y12 WeakPolarHBondContact OG-CB 3.36Å; S10-Y12 WeakPolarHBondContact OG-CD2 3.39Å; S10-Y12 PolarHBondContact OG-N 2.7Å; S10-Y12 VanDerWaalsContact OG-N 3.09Å; Y12-F14 VanDerWaalsContact C-N 3.26Å; Y12-F14 PolarHBondContact O-N 2.93Å; Y12-L26 WeakPolarHBondContact CD1-O 3.4Å; Y12-E27 WeakPolarHBondContact CB-OE2 3.46Å; Y12-R30 HydrophobicContact CE1-CB 4.37Å; Y12-R30 HydrophobicContact CE2-CB 4.35Å; Y12-R30 HydrophobicContact CE2-CG 4.18Å; Y12-R30 VanDerWaalsContact CZ-CA 3.49Å; Y12-R30 WeakPolarHBondContact OH-CA 3.23Å; Y12-G31 PolarHBondContact OH-N 3.45Å; Y12-R141 VanDerWaalsContact OH-C 3.23Å; Y12-R141 PolarHBondContact OH-O 2.74Å; Y12-Q142 VanDerWaalsContact CE2-C 3.42Å; Y12-G143 VanDerWaalsContact CZ-N 3.34Å; Y12-G143 PolarHBondContact OH-N 3.48Å; Y12-G143 VanDerWaalsContact OH-N 3.15Å |
| 13 | E | 98 | Very high | 89 | Confident | 83 Ų | 83 | 67.8 Ų | 67.8 | 39% | 0.388 | 38% | 0.375 | S | S | . | . | G | 310 helix | trans | -83.6 | 0.3 | 179.3 | -63.5 | 171.4 | 76.6 | 0 | 0 | 113.5 | N9 S10 I11 | N9-E13 WeakPolarHBondContact CA-OE2 3.5Å; N9-E13 WeakPolarHBondContact CB-OE2 3.4Å; N9-E13 PolarHBondContact N-OE2 3.11Å; S10-E13 PolarHBondContact N-OE2 2.71Å; S10-E13 PolarHBondContact O-N 2.7Å; I11-E13 PolarHBondContact O-N 3.16Å |
| 14 | F | 98.5 | Very high | 91.6 | Very high | 11 Ų | 11 | 64.6 Ų | 64.6 | 5% | 0.048 | 35% | 0.352 | C | S | . | . | trans | -104.7 | 146.7 | -178.2 | -59.2 | -93.6 | 0 | 0 | 0 | 111.4 | W8 S10 I11 Y12 L26 D113 L114 F117 | W8-F14 HydrophobicContact CB-CE2 4.1Å; W8-F14 HydrophobicContact CB-CZ 3.69Å; W8-F14 AromaticContact CD1-CZ 3.78Å; W8-F14 AromaticContact CD2-CE1 3.55Å; W8-F14 HydrophobicContact CD2-CE1 3.55Å; W8-F14 HydrophobicContact CD2-CE2 4.47Å; W8-F14 AromaticContact CD2-CZ 3.33Å; W8-F14 HydrophobicContact CD2-CZ 3.33Å; W8-F14 AromaticContact CE2-CE1 3.52Å; W8-F14 AromaticContact CE2-CZ 3.8Å; W8-F14 AromaticContact CE3-CE1 3.88Å; W8-F14 HydrophobicContact CE3-CE1 3.88Å; W8-F14 AromaticContact CE3-CZ 3.68Å; W8-F14 HydrophobicContact CE3-CZ 3.68Å; W8-F14 AromaticContact CG-CE1 3.95Å; W8-F14 HydrophobicContact CG-CE1 3.95Å; W8-F14 HydrophobicContact CG-CE2 4.11Å; W8-F14 AromaticContact CG-CZ 3.35Å; W8-F14 HydrophobicContact CG-CZ 3.35Å; W8-F14 HydrophobicContact CH2-CE1 4.17Å; W8-F14 AromaticContact CZ2-CE1 3.86Å; W8-F14 HydrophobicContact CZ2-CE1 3.86Å; W8-F14 HydrophobicContact CZ3-CE1 4.17Å; W8-F14 HydrophobicContact CZ3-CZ 4.37Å; W8-F14 AromaticContact NE1-CE1 3.84Å; S10-F14 VanDerWaalsContact O-CE2 3.28Å; S10-F14 WeakPolarHBondContact O-CE2 2.97Å; I11-F14 WeakPolarHBondContact O-CD2 3.42Å; I11-F14 PolarHBondContact O-N 3.13Å; Y12-F14 VanDerWaalsContact C-N 3.26Å; Y12-F14 PolarHBondContact O-N 2.93Å; F14-L26 HydrophobicContact CB-CD1 4.13Å; F14-L26 HydrophobicContact CB-CG 4.47Å; F14-L26 WeakPolarHBondContact O-CB 3.48Å; F14-L26 PolarHBondContact O-N 2.7Å; F14-D113 HydrophobicContact CD1-CB 4.19Å; F14-D113 VanDerWaalsContact CE1-C 3.42Å; F14-D113 HydrophobicContact CE1-CB 4Å; F14-D113 WeakPolarHBondContact CE1-O 3.49Å; F14-L114 HydrophobicContact CD1-CB 4.18Å; F14-L114 HydrophobicContact CD2-CD1 4.13Å; F14-L114 HydrophobicContact CG-CB 4.32Å; F14-L114 HydrophobicContact CG-CD1 4.24Å; F14-F117 HydrophobicContact CE1-CB 4.11Å; F14-F117 HydrophobicContact CE2-CB 4.02Å; F14-F117 AromaticContact CE2-CD1 3.61Å; F14-F117 HydrophobicContact CE2-CD1 3.61Å; F14-F117 HydrophobicContact CE2-CD2 4.45Å; F14-F117 HydrophobicContact CE2-CE1 4.16Å; F14-F117 AromaticContact CE2-CG 3.77Å; F14-F117 HydrophobicContact CE2-CG 3.77Å; F14-F117 HydrophobicContact CZ-CB 3.36Å; F14-F117 AromaticContact CZ-CD1 3.89Å; F14-F117 HydrophobicContact CZ-CD1 3.89Å; F14-F117 HydrophobicContact CZ-CD2 4.22Å; F14-F117 AromaticContact CZ-CG 3.57Å; F14-F117 HydrophobicContact CZ-CG 3.57Å | ||
| 15 | T | 98.5 | Very high | 93.8 | Very high | 84 Ų | 84 | 62 Ų | 62 | 52% | 0.515 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 132.1 | 168.7 | -63.9 | 0 | 0 | 0 | 0 | 107.7 | D23 V24 | T15-D23 HydrophobicContact CG2-CB 3.84Å; T15-V24 WeakPolarHBondContact CA-O 3.2Å |
| 16 | V | 98.7 | Very high | 95.8 | Very high | 5 Ų | 5 | 53.7 Ų | 53.7 | 3% | 0.03 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 160.1 | -179.7 | -67.6 | 0 | 0 | 0 | 0 | 109.2 | V24 L26 F70 F101 L114 | V16-V24 PolarHBondContact N-O 3.27Å; V16-V24 PolarHBondContact O-N 2.76Å; V16-L26 HydrophobicContact CG2-CD2 3.61Å; V16-L26 HydrophobicContact CG2-CG 4.17Å; V16-F70 HydrophobicContact CB-CE1 4.06Å; V16-F70 HydrophobicContact CG1-CE1 4.02Å; V16-F70 HydrophobicContact CG1-CZ 4.36Å; V16-F70 HydrophobicContact CG2-CE1 4.08Å; V16-F70 HydrophobicContact CG2-CZ 4.15Å; V16-F101 HydrophobicContact CB-CD1 4.19Å; V16-F101 HydrophobicContact CG2-CD1 3.35Å; V16-F101 HydrophobicContact CG2-CE1 3.28Å; V16-F101 HydrophobicContact CG2-CG 4.44Å; V16-F101 HydrophobicContact CG2-CZ 4.33Å; V16-L114 HydrophobicContact CG1-CD2 4.28Å |
| 17 | K | 98.7 | Very high | 97.4 | Very high | 92 Ų | 92 | 50.1 Ų | 50.1 | 40% | 0.4 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 130.9 | 174.9 | -69.4 | -173.2 | 179.3 | -57.1 | 0 | 110.8 | V22 D23 F101 S102 | K17-V22 CarbonylContact C-O 3.52Å; K17-V22 WeakPolarHBondContact CA-O 3.34Å; K17-D23 VanDerWaalsContact CG-OD1 3.31Å; K17-D23 WeakPolarHBondContact CG-OD1 3.48Å; K17-D23 IonicContact NZ-OD1 2.68Å; K17-D23 PolarHBondContact NZ-OD1 2.68Å; K17-D23 IonicContact NZ-OD2 2.76Å; K17-D23 PolarHBondContact NZ-OD2 2.98Å; K17-F101 WeakPolarHBondContact O-CA 3.34Å; K17-F101 WeakPolarHBondContact O-CB 3.45Å; K17-F101 WeakPolarHBondContact O-CD1 3.35Å; K17-S102 PolarHBondContact O-N 2.88Å |
| 18 | D | 98.7 | Very high | 98.1 | Very high | 31 Ų | 31 | 51.8 Ų | 51.8 | 17% | 0.166 | 28% | 0.277 | C | S | . | . | B | Isolated β-bridge | trans | -65 | 173.9 | 168.4 | 82.2 | -9.3 | 0 | 0 | 0 | 110.6 | N20 G21 V22 V24 S102 | D18-N20 PolarHBondContact O-N 3.01Å; D18-N20 VanDerWaalsContact O-N 3.08Å; D18-N20 VanDerWaalsContact OD1-C 3.25Å; D18-N20 VanDerWaalsContact OD1-CA 3.25Å; D18-N20 WeakPolarHBondContact OD1-CA 3.3Å; D18-N20 WeakPolarHBondContact OD1-CB 3.46Å; D18-N20 PolarHBondContact OD1-N 3.13Å; D18-N20 PolarHBondContact OD2-ND2 3.06Å; D18-G21 PolarHBondContact O-N 3.33Å; D18-G21 PolarHBondContact OD1-N 3.06Å; D18-V22 PolarHBondContact N-O 2.86Å; D18-V22 PolarHBondContact OD1-N 3.19Å; D18-V24 HydrophobicContact CB-CG2 3.88Å; D18-S102 PolarHBondContact O-N 3.46Å; D18-S102 PolarHBondContact O-OG 3.12Å |
| 19 | I | 98.7 | Very high | 98.4 | Very high | 13 Ų | 13 | 49.1 Ų | 49.1 | 7% | 0.067 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -8.7 | 179.4 | -161.4 | 158.5 | 0 | 0 | 0 | 113.5 | E83 I86 K87 M100 | I19-E83 HydrophobicContact CG1-CB 3.91Å; I19-E83 HydrophobicContact CG1-CG 4.33Å; I19-E83 WeakPolarHBondContact CG1-O 3.31Å; I19-E83 WeakPolarHBondContact O-CB 3.33Å; I19-I86 HydrophobicContact CD1-CB 4.25Å; I19-I86 HydrophobicContact CD1-CG2 3.91Å; I19-K87 HydrophobicContact CD1-CB 3.66Å; I19-K87 HydrophobicContact CD1-CG 4.43Å; I19-K87 HydrophobicContact CG1-CB 4.06Å; I19-K87 HydrophobicContact CG2-CB 4.45Å; I19-K87 HydrophobicContact CG2-CD 3.91Å; I19-K87 HydrophobicContact CG2-CG 4.23Å; I19-M100 HydrophobicContact CB-CB 3.87Å; I19-M100 WeakPolarHBondContact CB-O 3.47Å; I19-M100 HydrophobicContact CD1-CB 3.77Å; I19-M100 HydrophobicContact CD1-CE 4.1Å; I19-M100 HydrophobicContact CD1-CG 4.47Å; I19-M100 HydrophobicContact CG1-CB 4.44Å; I19-M100 HydrophobicContact CG2-CB 3.83Å; I19-M100 PolarHBondContact N-O 3.39Å |
| 20 | N | 98.5 | Very high | 98.5 | Very high | 93 Ų | 93 | 51 Ų | 51 | 50% | 0.497 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | 2.9 | 175.8 | -45.1 | -67.1 | 0 | 0 | 0 | 112.2 | D18 V22 K87 | D18-N20 PolarHBondContact O-N 3.01Å; D18-N20 VanDerWaalsContact O-N 3.08Å; D18-N20 VanDerWaalsContact OD1-C 3.25Å; D18-N20 VanDerWaalsContact OD1-CA 3.25Å; D18-N20 WeakPolarHBondContact OD1-CA 3.3Å; D18-N20 WeakPolarHBondContact OD1-CB 3.46Å; D18-N20 PolarHBondContact OD1-N 3.13Å; D18-N20 PolarHBondContact OD2-ND2 3.06Å; N20-V22 HydrophobicContact CB-CG2 4.47Å; N20-K87 PolarHBondContact OD1-NZ 2.94Å |
| 21 | G | 98.3 | Very high | 98.5 | Very high | 37 Ų | 37 | 51.9 Ų | 51.9 | 38% | 0.381 | 28% | 0.279 | S | S | . | . | S | Bend | trans | 84.2 | 6.4 | -180 | 0 | 0 | 0 | 0 | 0 | 115 | D18 | D18-G21 PolarHBondContact O-N 3.33Å; D18-G21 PolarHBondContact OD1-N 3.06Å |
| 22 | V | 98.6 | Very high | 98.5 | Very high | 87 Ų | 87 | 54.1 Ų | 54.1 | 53% | 0.527 | 29% | 0.289 | S | S | . | . | trans | -83.9 | 132.8 | -179.8 | -177.4 | 0 | 0 | 0 | 0 | 109.8 | K17 D18 N20 V24 | K17-V22 CarbonylContact C-O 3.52Å; K17-V22 WeakPolarHBondContact CA-O 3.34Å; D18-V22 PolarHBondContact N-O 2.86Å; D18-V22 PolarHBondContact OD1-N 3.19Å; N20-V22 HydrophobicContact CB-CG2 4.47Å; V22-V24 PolarHBondContact O-N 3.22Å | ||
| 23 | D | 98.7 | Very high | 98.6 | Very high | 100 Ų | 100 | 53.8 Ų | 53.8 | 54% | 0.535 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 124.9 | 175.2 | -69.4 | -52.8 | 0 | 0 | 0 | 111 | T15 K17 | T15-D23 HydrophobicContact CG2-CB 3.84Å; K17-D23 VanDerWaalsContact CG-OD1 3.31Å; K17-D23 WeakPolarHBondContact CG-OD1 3.48Å; K17-D23 IonicContact NZ-OD1 2.68Å; K17-D23 PolarHBondContact NZ-OD1 2.68Å; K17-D23 IonicContact NZ-OD2 2.76Å; K17-D23 PolarHBondContact NZ-OD2 2.98Å |
| 24 | V | 98.8 | Very high | 98.6 | Very high | 24 Ų | 24 | 49.9 Ų | 49.9 | 15% | 0.145 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 113.3 | 179.7 | 178.3 | 0 | 0 | 0 | 0 | 108.6 | T15 V16 D18 V22 L26 K28 F101 | T15-V24 WeakPolarHBondContact CA-O 3.2Å; V16-V24 PolarHBondContact N-O 3.27Å; V16-V24 PolarHBondContact O-N 2.76Å; D18-V24 HydrophobicContact CB-CG2 3.88Å; V22-V24 PolarHBondContact O-N 3.22Å; V24-L26 PolarHBondContact O-N 3.46Å; V24-K28 HydrophobicContact CG1-CD 4.13Å; V24-F101 HydrophobicContact CB-CE1 4.46Å |
| 25 | S | 98.6 | Very high | 98.6 | Very high | 55 Ų | 55 | 49.3 Ų | 49.3 | 39% | 0.385 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 128.5 | 166.3 | 179.5 | 0 | 0 | 0 | 0 | 109.4 | E27 K28 | S25-E27 PolarHBondContact O-N 3.49Å; S25-E27 VanDerWaalsContact OG-CB 3.25Å; S25-E27 WeakPolarHBondContact OG-CB 3.43Å; S25-E27 PolarHBondContact OG-N 3.39Å; S25-K28 VanDerWaalsContact O-CB 3.31Å; S25-K28 WeakPolarHBondContact O-CB 3.26Å; S25-K28 PolarHBondContact O-N 3.18Å; S25-K28 VanDerWaalsContact O-N 3.15Å |
| 26 | L | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -70.8 | -8.3 | 177.6 | -64.5 | -167.6 | 0 | 0 | 0 | 112.9 | I11 Y12 F14 V16 V24 K28 Y29 L68 F101 L114 | I11-L26 HydrophobicContact CB-CD1 4.38Å; I11-L26 WeakPolarHBondContact O-CB 3.27Å; Y12-L26 WeakPolarHBondContact CD1-O 3.4Å; F14-L26 HydrophobicContact CB-CD1 4.13Å; F14-L26 HydrophobicContact CB-CG 4.47Å; F14-L26 WeakPolarHBondContact O-CB 3.48Å; F14-L26 PolarHBondContact O-N 2.7Å; V16-L26 HydrophobicContact CG2-CD2 3.61Å; V16-L26 HydrophobicContact CG2-CG 4.17Å; V24-L26 PolarHBondContact O-N 3.46Å; L26-K28 PolarHBondContact O-N 3.39Å; L26-K28 VanDerWaalsContact O-N 3.1Å; L26-Y29 HydrophobicContact CB-CD2 4.23Å; L26-Y29 HydrophobicContact CD2-CD2 3.8Å; L26-Y29 HydrophobicContact CD2-CE2 3.58Å; L26-Y29 WeakPolarHBondContact O-CB 3.46Å; L26-Y29 WeakPolarHBondContact O-CD2 3.29Å; L26-Y29 PolarHBondContact O-N 2.88Å; L26-L68 HydrophobicContact CD2-CD2 3.92Å; L26-F101 HydrophobicContact CD2-CE1 4.31Å; L26-F101 HydrophobicContact CD2-CZ 4.34Å; L26-L114 HydrophobicContact CD1-CD1 3.82Å; L26-L114 HydrophobicContact CD1-CD2 3.83Å; L26-L114 HydrophobicContact CD1-CG 4.41Å |
| 27 | E | 98.6 | Very high | 98.7 | Very high | 79 Ų | 79 | 45.1 Ų | 45.1 | 37% | 0.369 | 24% | 0.241 | S | C | . | . | G | 310 helix | trans | -47.9 | -31.3 | 162.9 | -177.8 | 63.3 | -161.4 | 0 | 0 | 112.3 | Y12 S25 Y29 R30 | Y12-E27 WeakPolarHBondContact CB-OE2 3.46Å; S25-E27 PolarHBondContact O-N 3.49Å; S25-E27 VanDerWaalsContact OG-CB 3.25Å; S25-E27 WeakPolarHBondContact OG-CB 3.43Å; S25-E27 PolarHBondContact OG-N 3.39Å; E27-Y29 PolarHBondContact O-N 3.04Å; E27-R30 VanDerWaalsContact CD-NH2 3.31Å; E27-R30 WeakPolarHBondContact O-CB 3.45Å; E27-R30 PolarHBondContact O-N 3.36Å; E27-R30 IonicContact OE1-CZ 3.16Å; E27-R30 VanDerWaalsContact OE1-CZ 3.32Å; E27-R30 IonicContact OE1-NE 2.7Å; E27-R30 PolarHBondContact OE1-NE 2.73Å; E27-R30 IonicContact OE1-NH2 2.7Å; E27-R30 PolarHBondContact OE1-NH2 3.36Å; E27-R30 VanDerWaalsContact OE1-NH2 3.15Å; E27-R30 IonicContact OE2-CZ 3.6Å; E27-R30 IonicContact OE2-NE 3.81Å; E27-R30 PolarHBondContact OE2-NE 3.04Å; E27-R30 IonicContact OE2-NH2 3.13Å; E27-R30 PolarHBondContact OE2-NH2 3.03Å |
| 28 | K | 98.6 | Very high | 98.7 | Very high | 120 Ų | 120 | 40.7 Ų | 40.7 | 52% | 0.522 | 22% | 0.222 | S | C | . | . | G | 310 helix | trans | -47.8 | -30.6 | 171.9 | 178.9 | -171.3 | 172 | -163 | 0 | 113 | V24 S25 L26 D99 | V24-K28 HydrophobicContact CG1-CD 4.13Å; S25-K28 VanDerWaalsContact O-CB 3.31Å; S25-K28 WeakPolarHBondContact O-CB 3.26Å; S25-K28 PolarHBondContact O-N 3.18Å; S25-K28 VanDerWaalsContact O-N 3.15Å; L26-K28 PolarHBondContact O-N 3.39Å; L26-K28 VanDerWaalsContact O-N 3.1Å; K28-D99 IonicContact NZ-OD1 2.85Å; K28-D99 PolarHBondContact NZ-OD1 3.05Å; K28-D99 IonicContact NZ-OD2 2.65Å |
| 29 | Y | 98.7 | Very high | 98.7 | Very high | 3 Ų | 3 | 39.2 Ų | 39.2 | 1% | 0.012 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -93 | 5.6 | -175.9 | -59.2 | -71.4 | 0 | 0 | 0 | 113.9 | L26 E27 G31 H32 R66 L68 D99 F101 | L26-Y29 HydrophobicContact CB-CD2 4.23Å; L26-Y29 HydrophobicContact CD2-CD2 3.8Å; L26-Y29 HydrophobicContact CD2-CE2 3.58Å; L26-Y29 WeakPolarHBondContact O-CB 3.46Å; L26-Y29 WeakPolarHBondContact O-CD2 3.29Å; L26-Y29 PolarHBondContact O-N 2.88Å; E27-Y29 PolarHBondContact O-N 3.04Å; Y29-G31 PolarHBondContact O-N 2.93Å; Y29-H32 VanDerWaalsContact O-CB 3.3Å; Y29-H32 WeakPolarHBondContact O-CB 3.27Å; Y29-H32 PolarHBondContact O-N 3.48Å; Y29-H32 PolarHBondContact O-ND1 3.27Å; Y29-R66 HydrophobicContact CD1-CB 3.78Å; Y29-R66 HydrophobicContact CD1-CG 3.84Å; Y29-R66 HydrophobicContact CE1-CB 4.07Å; Y29-R66 HydrophobicContact CE1-CG 4.28Å; Y29-L68 HydrophobicContact CD1-CD1 4.15Å; Y29-L68 HydrophobicContact CD2-CD2 3.92Å; Y29-L68 HydrophobicContact CE1-CD1 3.95Å; Y29-L68 HydrophobicContact CE1-CG 4.3Å; Y29-L68 HydrophobicContact CE2-CD1 4.47Å; Y29-L68 HydrophobicContact CE2-CD2 3.64Å; Y29-L68 HydrophobicContact CE2-CG 4.15Å; Y29-L68 HydrophobicContact CG-CD1 4.48Å; Y29-D99 WeakPolarHBondContact CE1-OD2 3.43Å; Y29-D99 VanDerWaalsContact CZ-OD2 3.27Å; Y29-D99 WeakPolarHBondContact OH-CB 3.39Å; Y29-D99 PolarHBondContact OH-OD2 2.81Å; Y29-F101 HydrophobicContact CE2-CZ 4.2Å; Y29-F101 WeakPolarHBondContact OH-CZ 3.28Å |
| 30 | R | 98.4 | Very high | 98.7 | Very high | 134 Ų | 134 | 38.6 Ų | 38.6 | 51% | 0.506 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.5 | 134.9 | 178.1 | -175.7 | 174.7 | -65.2 | -79.9 | -2.4 | 111.8 | Y12 E27 H32 | Y12-R30 HydrophobicContact CE1-CB 4.37Å; Y12-R30 HydrophobicContact CE2-CB 4.35Å; Y12-R30 HydrophobicContact CE2-CG 4.18Å; Y12-R30 VanDerWaalsContact CZ-CA 3.49Å; Y12-R30 WeakPolarHBondContact OH-CA 3.23Å; E27-R30 VanDerWaalsContact CD-NH2 3.31Å; E27-R30 WeakPolarHBondContact O-CB 3.45Å; E27-R30 PolarHBondContact O-N 3.36Å; E27-R30 IonicContact OE1-CZ 3.16Å; E27-R30 VanDerWaalsContact OE1-CZ 3.32Å; E27-R30 IonicContact OE1-NE 2.7Å; E27-R30 PolarHBondContact OE1-NE 2.73Å; E27-R30 IonicContact OE1-NH2 2.7Å; E27-R30 PolarHBondContact OE1-NH2 3.36Å; E27-R30 VanDerWaalsContact OE1-NH2 3.15Å; E27-R30 IonicContact OE2-CZ 3.6Å; E27-R30 IonicContact OE2-NE 3.81Å; E27-R30 PolarHBondContact OE2-NE 3.04Å; E27-R30 IonicContact OE2-NH2 3.13Å; E27-R30 PolarHBondContact OE2-NH2 3.03Å; R30-H32 PolarHBondContact O-N 3.43Å; R30-H32 PolarHBondContact O-ND1 3.34Å |
| 31 | G | 98.1 | Very high | 98.7 | Very high | 32 Ų | 32 | 34.6 Ų | 34.6 | 33% | 0.33 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.7 | -0 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y12 Y29 R141 | Y12-G31 PolarHBondContact OH-N 3.45Å; Y29-G31 PolarHBondContact O-N 2.93Å; G31-R141 WeakPolarHBondContact CA-O 3.45Å; G31-R141 PolarHBondContact N-O 3.43Å; G31-R141 WeakPolarHBondContact O-CD 3.36Å; G31-R141 WeakPolarHBondContact O-CG 3.21Å; G31-R141 PolarHBondContact O-NH1 3.17Å |
| 32 | H | 98.6 | Very high | 98.6 | Very high | 47 Ų | 47 | 38.1 Ų | 38.1 | 22% | 0.218 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -102.7 | 151.9 | 177.7 | -62.3 | 88.9 | 0 | 0 | 0 | 111.4 | Y29 R30 G64 R66 | Y29-H32 VanDerWaalsContact O-CB 3.3Å; Y29-H32 WeakPolarHBondContact O-CB 3.27Å; Y29-H32 PolarHBondContact O-N 3.48Å; Y29-H32 PolarHBondContact O-ND1 3.27Å; R30-H32 PolarHBondContact O-N 3.43Å; R30-H32 PolarHBondContact O-ND1 3.34Å; H32-G64 WeakPolarHBondContact CB-O 3.48Å; H32-R66 HydrophobicContact CB-CB 4.49Å; H32-R66 HydrophobicContact CB-CG 3.68Å; H32-R66 PolarHBondContact CD2-NH2 2.86Å; H32-R66 PolarHBondContact NE2-NH2 2.87Å |
| 33 | V | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 124.7 | 167.6 | 175.6 | 0 | 0 | 0 | 0 | 107.6 | G64 L65 R66 L138 V139 R141 L165 L166 | V33-G64 PolarHBondContact N-O 3.1Å; V33-L65 HydrophobicContact CG1-CD1 4.38Å; V33-L65 CarbonylContact O-C 3.54Å; V33-L65 WeakPolarHBondContact O-CA 3.49Å; V33-R66 PolarHBondContact O-N 3.24Å; V33-L138 HydrophobicContact CG1-CD1 3.6Å; V33-V139 WeakPolarHBondContact CA-O 3.16Å; V33-R141 HydrophobicContact CG2-CG 3.99Å; V33-L165 HydrophobicContact CG1-CB 4.08Å; V33-L165 HydrophobicContact CG1-CD1 4.1Å; V33-L165 HydrophobicContact CG2-CB 3.6Å; V33-L166 HydrophobicContact CB-CD2 3.85Å; V33-L166 HydrophobicContact CB-CG 4.43Å; V33-L166 HydrophobicContact CG2-CD2 3.71Å; V33-L166 HydrophobicContact CG2-CG 4.17Å |
| 34 | C | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 132.1 | -177.8 | -59 | 0 | 0 | 0 | 0 | 111.9 | I11 R66 L68 V139 | I11-C34 HydrophobicContact CD1-CB 4.38Å; C34-R66 CarbonylContact C-O 3.53Å; C34-R66 VanDerWaalsContact CA-O 3.24Å; C34-R66 WeakPolarHBondContact CA-O 3.2Å; C34-L68 HydrophobicContact CB-CD1 4.03Å; C34-V139 HydrophobicContact CB-CB 4.06Å; C34-V139 PolarHBondContact N-O 2.96Å; C34-V139 PolarHBondContact O-N 3.22Å |
| 35 | L | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 107.1 | 166.9 | -174.2 | 69.7 | 0 | 0 | 0 | 108.7 | V37 L53 L65 R66 I67 L68 K136 I158 I162 | L35-V37 HydrophobicContact CD2-CG2 4.29Å; L35-V37 HydrophobicContact CG-CG2 3.98Å; L35-L53 HydrophobicContact CD2-CD2 3.57Å; L35-L65 HydrophobicContact CB-CD1 4.33Å; L35-R66 PolarHBondContact N-O 2.87Å; L35-I67 HydrophobicContact CB-CG1 4.34Å; L35-I67 WeakPolarHBondContact O-CA 3.12Å; L35-L68 PolarHBondContact O-N 3.1Å; L35-K136 HydrophobicContact CD1-CB 3.96Å; L35-K136 HydrophobicContact CD1-CG 4.47Å; L35-I158 HydrophobicContact CD1-CD1 4.42Å; L35-I158 HydrophobicContact CD1-CG2 4.23Å; L35-I162 HydrophobicContact CD2-CD1 4.31Å |
| 36 | I | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 126.4 | -179.6 | -58.5 | 174.7 | 0 | 0 | 0 | 109 | I11 L68 F70 L114 Y115 L118 K136 F137 V139 | I11-I36 HydrophobicContact CD1-CD1 4.43Å; I11-I36 HydrophobicContact CG2-CD1 4.38Å; I36-L68 WeakPolarHBondContact CA-O 3.47Å; I36-L68 HydrophobicContact CG1-CB 4.26Å; I36-L68 HydrophobicContact CG1-CD2 4.4Å; I36-F70 HydrophobicContact CG2-CD2 3.8Å; I36-F70 HydrophobicContact CG2-CE2 3.75Å; I36-L114 HydrophobicContact CD1-CD1 4.49Å; I36-Y115 HydrophobicContact CG2-CE2 4.31Å; I36-L118 HydrophobicContact CB-CD1 4.31Å; I36-L118 HydrophobicContact CD1-CD1 3.93Å; I36-L118 HydrophobicContact CD1-CD2 4.08Å; I36-L118 HydrophobicContact CG2-CD1 3.87Å; I36-K136 CarbonylContact O-C 3.59Å; I36-K136 WeakPolarHBondContact O-CA 3.29Å; I36-F137 HydrophobicContact CB-CB 4.48Å; I36-F137 PolarHBondContact N-O 2.85Å; I36-F137 PolarHBondContact O-N 3.29Å; I36-V139 HydrophobicContact CD1-CG2 3.86Å; I36-V139 HydrophobicContact CG1-CG2 4.41Å |
| 37 | V | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 131.8 | -173.2 | -170 | 0 | 0 | 0 | 0 | 110.8 | L35 V39 L53 L68 A69 F70 Y115 F134 S135 K136 | L35-V37 HydrophobicContact CD2-CG2 4.29Å; L35-V37 HydrophobicContact CG-CG2 3.98Å; V37-V39 HydrophobicContact CB-CG1 4.3Å; V37-V39 HydrophobicContact CG1-CG1 3.93Å; V37-L53 HydrophobicContact CG1-CD1 4.46Å; V37-L53 HydrophobicContact CG2-CD1 4.42Å; V37-L53 HydrophobicContact CG2-CD2 4.2Å; V37-L68 PolarHBondContact N-O 3.3Å; V37-A69 WeakPolarHBondContact O-CA 3.3Å; V37-F70 PolarHBondContact O-N 3.23Å; V37-Y115 VanDerWaalsContact C-OH 3.31Å; V37-F134 HydrophobicContact CG1-CD1 4.14Å; V37-S135 WeakPolarHBondContact CA-O 3.41Å; V37-K136 HydrophobicContact CB-CG 4.43Å; V37-K136 HydrophobicContact CG1-CG 4.07Å; V37-K136 HydrophobicContact CG2-CB 4.39Å; V37-K136 HydrophobicContact CG2-CG 3.77Å |
| 38 | N | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 127.7 | 167.7 | 69.5 | -69.7 | 0 | 0 | 0 | 109.5 | F70 C72 F75 V106 Y115 W132 N133 F134 S135 | N38-F70 CarbonylContact C-O 3.56Å; N38-F70 VanDerWaalsContact CA-O 3.28Å; N38-F70 WeakPolarHBondContact CA-O 3.43Å; N38-C72 HydrophobicContact CB-CB 4.44Å; N38-F75 WeakPolarHBondContact ND2-CE2 3.43Å; N38-V106 HydrophobicContact CB-CG1 4.14Å; N38-Y115 WeakPolarHBondContact CA-OH 3.34Å; N38-Y115 HydrophobicContact CB-CE1 4.16Å; N38-Y115 WeakPolarHBondContact CB-OH 3.49Å; N38-Y115 PolarHBondContact N-OH 3.36Å; N38-Y115 VanDerWaalsContact N-OH 3.09Å; N38-W132 PolarHBondContact ND2-O 3.48Å; N38-N133 WeakPolarHBondContact ND2-CA 3.3Å; N38-F134 WeakPolarHBondContact O-CA 3.37Å; N38-F134 PolarHBondContact O-N 2.85Å; N38-S135 PolarHBondContact N-O 2.75Å; N38-S135 WeakPolarHBondContact OD1-CA 3.49Å; N38-S135 VanDerWaalsContact OD1-CB 3.25Å; N38-S135 WeakPolarHBondContact OD1-CB 3.41Å; N38-S135 PolarHBondContact OD1-N 2.89Å; N38-S135 PolarHBondContact OD1-O 3.03Å |
| 39 | V | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 161.1 | -169.3 | -60.4 | 0 | 0 | 0 | 0 | 113 | V37 Y50 A69 F70 P71 C72 M100 F134 | V37-V39 HydrophobicContact CB-CG1 4.3Å; V37-V39 HydrophobicContact CG1-CG1 3.93Å; V39-Y50 HydrophobicContact CB-CE2 4.42Å; V39-Y50 VanDerWaalsContact CB-OH 3.3Å; V39-Y50 WeakPolarHBondContact CB-OH 3.32Å; V39-Y50 WeakPolarHBondContact CG2-OH 3.46Å; V39-A69 HydrophobicContact CG1-CB 3.93Å; V39-A69 HydrophobicContact CG2-CB 4.24Å; V39-F70 PolarHBondContact N-O 3Å; V39-P71 HydrophobicContact CG2-CB 4.32Å; V39-P71 HydrophobicContact CG2-CG 4.11Å; V39-C72 PolarHBondContact O-N 3.28Å; V39-M100 HydrophobicContact CG2-CE 4.37Å; V39-F134 HydrophobicContact CB-CD1 4.48Å; V39-F134 HydrophobicContact CB-CE1 3.92Å; V39-F134 HydrophobicContact CB-CZ 4.45Å; V39-F134 HydrophobicContact CG1-CD1 4.08Å; V39-F134 HydrophobicContact CG1-CE1 3.81Å |
| 40 | A | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 18% | 0.175 | C | C | . | . | trans | -145.6 | 136.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | U43 T46 Q78 E79 N133 F134 | A40-C43 HydrophobicContact CB-CB 4.01Å; A40-T46 WeakPolarHBondContact O-CG2 3.48Å; A40-T46 PolarHBondContact O-OG1 3.16Å; A40-Q78 HydrophobicContact CB-CB 3.93Å; A40-E79 VanDerWaalsContact C-OE2 3.32Å; A40-E79 VanDerWaalsContact CA-CD 3.48Å; A40-E79 WeakPolarHBondContact CA-OE2 3.48Å; A40-E79 HydrophobicContact CB-CB 4.34Å; A40-E79 PolarHBondContact N-OE2 3.19Å; A40-N133 HydrophobicContact CB-CB 3.92Å; A40-N133 WeakPolarHBondContact CB-ND2 3.45Å; A40-N133 WeakPolarHBondContact CB-OD1 3.34Å; A40-F134 HydrophobicContact CB-CE2 4.48Å; A40-F134 VanDerWaalsContact O-CZ 3.28Å; A40-F134 WeakPolarHBondContact O-CZ 3.46Å | ||
| 41 | C | 98.4 | Very high | 98.3 | Very high | 8 Ų | 8 | 30.3 Ų | 30.3 | 5% | 0.054 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -82 | -25.7 | 177.1 | -68.5 | 0 | 0 | 0 | 0 | 114 | T46 Q78 E79 W81 F89 | C41-T46 WeakPolarHBondContact O-CG2 3.35Å; C41-Q78 PolarHBondContact N-O 3.35Å; C41-E79 WeakPolarHBondContact CB-OE1 3.48Å; C41-E79 PolarHBondContact N-OE1 3.25Å; C41-E79 PolarHBondContact N-OE2 3.19Å; C41-E79 VanDerWaalsContact N-OE2 3.15Å; C41-E79 PolarHBondContact SG-OE1 3.05Å; C41-W81 HydrophobicContact CB-CE3 3.73Å; C41-W81 HydrophobicContact CB-CH2 4.33Å; C41-W81 HydrophobicContact CB-CZ3 3.37Å; C41-F89 HydrophobicContact CB-CD1 3.74Å; C41-F89 HydrophobicContact CB-CE1 3.63Å; C41-F89 HydrophobicContact CB-CG 4.41Å; C41-F89 HydrophobicContact CB-CZ 4.24Å; C41-F89 WeakPolarHBondContact SG-CD1 3.18Å |
| 42 | K | 97.7 | Very high | 98.4 | Very high | 112 Ų | 112 | 30.2 Ų | 30.2 | 49% | 0.487 | 17% | 0.165 | S | C | . | . | S | Bend | trans | -110.6 | 39 | -176.2 | -60.4 | -171 | 174.6 | -174.3 | 0 | 113.3 | Q78 P80 W81 | K42-Q78 HydrophobicContact CB-CB 4.37Å; K42-Q78 WeakPolarHBondContact CB-O 3.46Å; K42-Q78 PolarHBondContact N-O 2.91Å; K42-Q78 VanDerWaalsContact O-CG 3.29Å; K42-Q78 WeakPolarHBondContact O-CG 3.43Å; K42-P80 HydrophobicContact CD-CG 4.05Å; K42-W81 HydrophobicContact CD-CZ2 4.4Å; K42-W81 VanDerWaalsContact CE-CE2 3.42Å; K42-W81 HydrophobicContact CG-CH2 4.37Å; K42-W81 HydrophobicContact CG-CZ2 4.44Å |
| 43 | U | 95.7 | Very high | 98.4 | Very high | 16 Ų | 16 | 28 Ų | 28 | 11% | 0.108 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -107.9 | 146.1 | 177.8 | -173.7 | 0 | 0 | 0 | 0 | 110.7 | A40 A45 T46 Q78 N133 F134 | A40-C43 HydrophobicContact CB-CB 4.01Å; C43-A45 PolarHBondContact O-N 3.14Å; C43-T46 WeakPolarHBondContact CA-OG1 3.37Å; C43-T46 VanDerWaalsContact CB-OG1 3.3Å; C43-T46 WeakPolarHBondContact CB-OG1 3.41Å; C43-T46 PolarHBondContact N-OG1 2.81Å; C43-T46 WeakPolarHBondContact O-CB 3.33Å; C43-T46 PolarHBondContact O-N 2.92Å; C43-T46 PolarHBondContact O-OG1 3.36Å; C43-Q78 HydrophobicContact CB-CB 4.42Å; C43-Q78 PolarHBondContact SG-OE1 3.48Å; C43-N133 HydrophobicContact CB-CB 4.49Å; C43-F134 HydrophobicContact CB-CE2 3.96Å |
| 44 | G | 96.7 | Very high | 98.4 | Very high | 86 Ų | 86 | 28.9 Ų | 28.9 | 89% | 0.887 | 16% | 0.159 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -19.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 45 | A | 97.3 | Very high | 98.4 | Very high | 33 Ų | 33 | 32 Ų | 32 | 27% | 0.273 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | -6.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114 | U43 D47 N49 F134 | C43-A45 PolarHBondContact O-N 3.14Å; A45-D47 PolarHBondContact O-N 3.05Å; A45-N49 PolarHBondContact O-N 2.92Å; A45-N49 VanDerWaalsContact O-N 3.12Å; A45-N49 PolarHBondContact O-ND2 3.26Å; A45-F134 HydrophobicContact CB-CD2 3.95Å; A45-F134 HydrophobicContact CB-CE2 4.28Å |
| 46 | T | 98.3 | Very high | 98.3 | Very high | 2 Ų | 2 | 32 Ų | 32 | 1% | 0.012 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -57.2 | -54.2 | -172.8 | -63.1 | 0 | 0 | 0 | 0 | 111.7 | A40 C41 U43 K48 N49 Y50 F89 Y94 F134 | A40-T46 WeakPolarHBondContact O-CG2 3.48Å; A40-T46 PolarHBondContact O-OG1 3.16Å; C41-T46 WeakPolarHBondContact O-CG2 3.35Å; C43-T46 WeakPolarHBondContact CA-OG1 3.37Å; C43-T46 VanDerWaalsContact CB-OG1 3.3Å; C43-T46 WeakPolarHBondContact CB-OG1 3.41Å; C43-T46 PolarHBondContact N-OG1 2.81Å; C43-T46 WeakPolarHBondContact O-CB 3.33Å; C43-T46 PolarHBondContact O-N 2.92Å; C43-T46 PolarHBondContact O-OG1 3.36Å; T46-K48 PolarHBondContact O-N 2.77Å; T46-N49 PolarHBondContact O-N 3.12Å; T46-Y50 HydrophobicContact CG2-CD2 3.51Å; T46-Y50 HydrophobicContact CG2-CE2 3.71Å; T46-Y50 WeakPolarHBondContact O-CD2 3.16Å; T46-Y50 PolarHBondContact O-N 3.24Å; T46-F89 HydrophobicContact CG2-CE1 4.19Å; T46-Y94 HydrophobicContact CG2-CE2 4.24Å; T46-Y94 VanDerWaalsContact CG2-OH 3.3Å; T46-Y94 WeakPolarHBondContact CG2-OH 3.42Å; T46-F134 HydrophobicContact CG2-CZ 4.46Å |
| 47 | D | 98.4 | Very high | 98.3 | Very high | 55 Ų | 55 | 33 Ų | 33 | 29% | 0.294 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -59.4 | -43.4 | -174.3 | -99.1 | 50.5 | 0 | 0 | 0 | 113.1 | A45 R51 K93 Y94 | A45-D47 PolarHBondContact O-N 3.05Å; D47-R51 VanDerWaalsContact CB-NH1 3.25Å; D47-R51 VanDerWaalsContact CG-NH1 3.31Å; D47-R51 WeakPolarHBondContact O-CB 3.3Å; D47-R51 WeakPolarHBondContact O-CG 3.41Å; D47-R51 PolarHBondContact O-N 3.36Å; D47-R51 PolarHBondContact O-NH1 3.29Å; D47-R51 IonicContact OD2-CZ 3.15Å; D47-R51 VanDerWaalsContact OD2-CZ 3.29Å; D47-R51 IonicContact OD2-NH1 2.7Å; D47-R51 PolarHBondContact OD2-NH1 3.02Å; D47-R51 IonicContact OD2-NH2 3.15Å; D47-R51 PolarHBondContact OD2-NH2 3.24Å; D47-K93 IonicContact OD1-NZ 3.62Å; D47-K93 PolarHBondContact OD1-NZ 3.32Å; D47-K93 IonicContact OD2-NZ 2.67Å; D47-Y94 PolarHBondContact OD1-OH 3.37Å |
| 48 | K | 98.5 | Very high | 98.3 | Very high | 109 Ų | 109 | 37.4 Ų | 37.4 | 47% | 0.474 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -66.9 | -48.2 | 177.6 | 179.8 | -179.7 | 175.7 | -177.7 | 0 | 110.9 | T46 Q52 | T46-K48 PolarHBondContact O-N 2.77Å; K48-Q52 WeakPolarHBondContact O-CG 3.41Å; K48-Q52 PolarHBondContact O-N 3Å |
| 49 | N | 98.8 | Very high | 98.3 | Very high | 6 Ų | 6 | 42 Ų | 42 | 3% | 0.032 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -67.2 | -49.6 | -174 | -79.1 | -91.3 | 0 | 0 | 0 | 111.6 | A45 T46 R51 Q52 L53 F134 K136 P155 | A45-N49 PolarHBondContact O-N 2.92Å; A45-N49 VanDerWaalsContact O-N 3.12Å; A45-N49 PolarHBondContact O-ND2 3.26Å; T46-N49 PolarHBondContact O-N 3.12Å; N49-R51 PolarHBondContact O-N 2.83Å; N49-Q52 PolarHBondContact O-N 2.78Å; N49-L53 WeakPolarHBondContact O-CB 3.39Å; N49-L53 WeakPolarHBondContact O-CD1 3.44Å; N49-L53 WeakPolarHBondContact O-CG 3.38Å; N49-L53 PolarHBondContact O-N 3.43Å; N49-F134 HydrophobicContact CB-CB 4.48Å; N49-F134 HydrophobicContact CB-CD1 3.41Å; N49-F134 VanDerWaalsContact CB-CD1 3.41Å; N49-F134 HydrophobicContact CB-CD2 4.49Å; N49-F134 HydrophobicContact CB-CE1 3.63Å; N49-F134 HydrophobicContact CB-CG 3.89Å; N49-F134 HydrophobicContact CB-CZ 4.27Å; N49-K136 VanDerWaalsContact OD1-CE 3.3Å; N49-K136 WeakPolarHBondContact OD1-CE 3.35Å; N49-K136 PolarHBondContact OD1-NZ 3.48Å; N49-P155 HydrophobicContact CB-CG 4.49Å |
| 50 | Y | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.1 | -42.7 | -177.5 | -84.4 | -75 | 0 | 0 | 0 | 112.9 | V39 T46 L53 Q54 V90 Y94 V96 F98 M100 F134 | V39-Y50 HydrophobicContact CB-CE2 4.42Å; V39-Y50 VanDerWaalsContact CB-OH 3.3Å; V39-Y50 WeakPolarHBondContact CB-OH 3.32Å; V39-Y50 WeakPolarHBondContact CG2-OH 3.46Å; T46-Y50 HydrophobicContact CG2-CD2 3.51Å; T46-Y50 HydrophobicContact CG2-CE2 3.71Å; T46-Y50 WeakPolarHBondContact O-CD2 3.16Å; T46-Y50 PolarHBondContact O-N 3.24Å; Y50-L53 PolarHBondContact O-N 3.45Å; Y50-Q54 WeakPolarHBondContact O-CB 3.37Å; Y50-Q54 PolarHBondContact O-N 2.98Å; Y50-V90 HydrophobicContact CD1-CG1 4.33Å; Y50-V90 HydrophobicContact CE1-CB 4.15Å; Y50-V90 HydrophobicContact CE1-CG1 3.62Å; Y50-V90 HydrophobicContact CE2-CG1 4.23Å; Y50-V90 WeakPolarHBondContact OH-CG1 3.34Å; Y50-Y94 VanDerWaalsContact CB-CD2 3.46Å; Y50-Y94 HydrophobicContact CD1-CD2 4.08Å; Y50-Y94 HydrophobicContact CD1-CE2 4.49Å; Y50-Y94 HydrophobicContact CD2-CD2 4.12Å; Y50-Y94 AromaticContact CD2-CE2 3.72Å; Y50-Y94 HydrophobicContact CD2-CE2 3.72Å; Y50-Y94 HydrophobicContact CE2-CE2 4.44Å; Y50-Y94 AromaticContact CG-CD2 3.64Å; Y50-Y94 HydrophobicContact CG-CD2 3.64Å; Y50-Y94 AromaticContact CG-CE2 3.74Å; Y50-Y94 HydrophobicContact CG-CE2 3.74Å; Y50-Y94 HydrophobicContact CG-CG 4.27Å; Y50-V96 HydrophobicContact CD1-CG2 3.87Å; Y50-V96 HydrophobicContact CE1-CG2 4.28Å; Y50-F98 AromaticContact CD1-CZ 3.9Å; Y50-F98 HydrophobicContact CD1-CZ 3.9Å; Y50-F98 HydrophobicContact CE1-CE2 4.49Å; Y50-F98 HydrophobicContact CE1-CZ 4.15Å; Y50-M100 HydrophobicContact CE1-SD 4.49Å; Y50-F134 HydrophobicContact CD2-CE1 4.15Å; Y50-F134 HydrophobicContact CD2-CZ 4.2Å; Y50-F134 AromaticContact CE2-CE1 3.95Å; Y50-F134 HydrophobicContact CE2-CE1 3.95Å; Y50-F134 AromaticContact CE2-CZ 3.93Å; Y50-F134 HydrophobicContact CE2-CZ 3.93Å |
| 51 | R | 98.7 | Very high | 98.3 | Very high | 131 Ų | 131 | 44.3 Ų | 44.3 | 49% | 0.494 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -61.9 | -46.3 | 178.1 | -71.5 | -172.1 | -173.7 | 97.5 | 1.3 | 112 | D47 N49 Q54 E55 Y94 | D47-R51 VanDerWaalsContact CB-NH1 3.25Å; D47-R51 VanDerWaalsContact CG-NH1 3.31Å; D47-R51 WeakPolarHBondContact O-CB 3.3Å; D47-R51 WeakPolarHBondContact O-CG 3.41Å; D47-R51 PolarHBondContact O-N 3.36Å; D47-R51 PolarHBondContact O-NH1 3.29Å; D47-R51 IonicContact OD2-CZ 3.15Å; D47-R51 VanDerWaalsContact OD2-CZ 3.29Å; D47-R51 IonicContact OD2-NH1 2.7Å; D47-R51 PolarHBondContact OD2-NH1 3.02Å; D47-R51 IonicContact OD2-NH2 3.15Å; D47-R51 PolarHBondContact OD2-NH2 3.24Å; N49-R51 PolarHBondContact O-N 2.83Å; R51-Q54 PolarHBondContact O-N 3.03Å; R51-E55 WeakPolarHBondContact O-CB 3.45Å; R51-E55 PolarHBondContact O-N 2.93Å; R51-Y94 HydrophobicContact CG-CD1 3.98Å; R51-Y94 HydrophobicContact CG-CE1 4.45Å |
| 52 | Q | 98.8 | Very high | 98.2 | Very high | 30 Ų | 30 | 47.8 Ų | 47.8 | 14% | 0.14 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -68.4 | -42.1 | 179.5 | -65.2 | -171.7 | -1.5 | 0 | 0 | 112.1 | K48 N49 Q54 E55 M56 P155 Y156 | K48-Q52 WeakPolarHBondContact O-CG 3.41Å; K48-Q52 PolarHBondContact O-N 3Å; N49-Q52 PolarHBondContact O-N 2.78Å; Q52-Q54 VanDerWaalsContact C-N 3.34Å; Q52-Q54 PolarHBondContact O-N 3.37Å; Q52-E55 PolarHBondContact O-N 3.47Å; Q52-M56 WeakPolarHBondContact O-CB 3.19Å; Q52-M56 VanDerWaalsContact O-CG 3.26Å; Q52-M56 WeakPolarHBondContact O-CG 3.46Å; Q52-M56 PolarHBondContact O-N 2.91Å; Q52-P155 HydrophobicContact CB-CB 3.8Å; Q52-P155 HydrophobicContact CB-CG 3.96Å; Q52-P155 VanDerWaalsContact OE1-CD 3.25Å; Q52-Y156 HydrophobicContact CB-CD1 4.08Å; Q52-Y156 HydrophobicContact CB-CD2 4.39Å; Q52-Y156 HydrophobicContact CB-CE1 3.9Å; Q52-Y156 HydrophobicContact CB-CE2 4.23Å; Q52-Y156 HydrophobicContact CB-CG 4.32Å; Q52-Y156 HydrophobicContact CG-CD1 4.32Å; Q52-Y156 HydrophobicContact CG-CD2 3.73Å; Q52-Y156 HydrophobicContact CG-CE1 4.14Å; Q52-Y156 HydrophobicContact CG-CE2 3.53Å; Q52-Y156 HydrophobicContact CG-CG 4.12Å |
| 53 | L | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.2 | -43.9 | 175.8 | -71.2 | 167.5 | 0 | 0 | 0 | 111.6 | L35 V37 N49 Y50 H57 I67 F98 P155 | L35-L53 HydrophobicContact CD2-CD2 3.57Å; V37-L53 HydrophobicContact CG1-CD1 4.46Å; V37-L53 HydrophobicContact CG2-CD1 4.42Å; V37-L53 HydrophobicContact CG2-CD2 4.2Å; N49-L53 WeakPolarHBondContact O-CB 3.39Å; N49-L53 WeakPolarHBondContact O-CD1 3.44Å; N49-L53 WeakPolarHBondContact O-CG 3.38Å; N49-L53 PolarHBondContact O-N 3.43Å; Y50-L53 PolarHBondContact O-N 3.45Å; L53-H57 WeakPolarHBondContact O-CB 3.38Å; L53-H57 PolarHBondContact O-N 3.38Å; L53-I67 HydrophobicContact CB-CD1 4.09Å; L53-I67 HydrophobicContact CD2-CD1 3.95Å; L53-I67 HydrophobicContact CD2-CG2 4.18Å; L53-I67 WeakPolarHBondContact O-CD1 3.35Å; L53-F98 HydrophobicContact CB-CE1 3.87Å; L53-F98 HydrophobicContact CB-CZ 4.18Å; L53-P155 HydrophobicContact CD2-CB 3.92Å; L53-P155 HydrophobicContact CD2-CG 3.97Å; L53-P155 HydrophobicContact CG-CB 4.12Å; L53-P155 HydrophobicContact CG-CG 3.8Å |
| 54 | Q | 98.8 | Very high | 98.3 | Very high | 18 Ų | 18 | 48.1 Ų | 48.1 | 8% | 0.084 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.8 | -43.5 | 178.7 | 178.7 | 53.2 | 42.6 | 0 | 0 | 111.8 | Y50 R51 Q52 H57 T58 V96 F98 | Y50-Q54 WeakPolarHBondContact O-CB 3.37Å; Y50-Q54 PolarHBondContact O-N 2.98Å; R51-Q54 PolarHBondContact O-N 3.03Å; Q52-Q54 VanDerWaalsContact C-N 3.34Å; Q52-Q54 PolarHBondContact O-N 3.37Å; Q54-H57 WeakPolarHBondContact O-CB 3.11Å; Q54-H57 PolarHBondContact O-N 3.44Å; Q54-T58 PolarHBondContact NE2-OG1 3.24Å; Q54-T58 PolarHBondContact O-N 2.97Å; Q54-T58 PolarHBondContact O-OG1 3.12Å; Q54-V96 VanDerWaalsContact OE1-CA 3.27Å; Q54-F98 HydrophobicContact CB-CE1 4.22Å |
| 55 | E | 98.7 | Very high | 98.4 | Very high | 65 Ų | 65 | 44 Ų | 44 | 30% | 0.304 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -60.9 | -47.4 | 177.3 | -167.2 | -72.9 | 142.3 | 0 | 0 | 111.3 | R51 Q52 H57 T58 R59 Y156 | R51-E55 WeakPolarHBondContact O-CB 3.45Å; R51-E55 PolarHBondContact O-N 2.93Å; Q52-E55 PolarHBondContact O-N 3.47Å; E55-H57 VanDerWaalsContact C-N 3.34Å; E55-H57 PolarHBondContact O-N 3.03Å; E55-T58 PolarHBondContact O-N 2.91Å; E55-R59 VanDerWaalsContact CD-NE 3.27Å; E55-R59 PolarHBondContact O-N 3.4Å; E55-R59 VanDerWaalsContact O-N 3.1Å; E55-R59 WeakPolarHBondContact OE1-CD 2.94Å; E55-R59 WeakPolarHBondContact OE1-CG 3.37Å; E55-R59 IonicContact OE1-CZ 3.51Å; E55-R59 IonicContact OE1-NE 3.41Å; E55-R59 PolarHBondContact OE1-NE 3.38Å; E55-R59 IonicContact OE2-CZ 3.66Å; E55-R59 IonicContact OE2-NE 3.79Å; E55-R59 PolarHBondContact OE2-NE 2.88Å; E55-R59 VanDerWaalsContact OE2-NE 3.13Å; E55-R59 IonicContact OE2-NH2 2.71Å; E55-R59 PolarHBondContact OE2-NH2 3.41Å; E55-R59 VanDerWaalsContact OE2-NH2 3.16Å; E55-Y156 WeakPolarHBondContact CB-OH 3.36Å; E55-Y156 VanDerWaalsContact CG-OH 3.29Å; E55-Y156 WeakPolarHBondContact CG-OH 3.25Å; E55-Y156 WeakPolarHBondContact OE2-CE1 3.44Å; E55-Y156 PolarHBondContact OE2-OH 2.86Å; E55-Y156 VanDerWaalsContact OE2-OH 3.04Å |
| 56 | M | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.3 | -43 | 174.7 | -70.4 | 175.1 | 74.6 | 0 | 0 | 111.9 | Q52 R59 L60 L65 P155 Y156 E159 I162 | Q52-M56 WeakPolarHBondContact O-CB 3.19Å; Q52-M56 VanDerWaalsContact O-CG 3.26Å; Q52-M56 WeakPolarHBondContact O-CG 3.46Å; Q52-M56 PolarHBondContact O-N 2.91Å; M56-R59 PolarHBondContact O-N 2.99Å; M56-L60 VanDerWaalsContact O-CB 3.27Å; M56-L60 WeakPolarHBondContact O-CB 3.3Å; M56-L60 WeakPolarHBondContact O-CG 3.14Å; M56-L60 PolarHBondContact O-N 3.04Å; M56-L65 HydrophobicContact CB-CD2 4.47Å; M56-P155 HydrophobicContact SD-CB 3.69Å; M56-Y156 HydrophobicContact CG-CD1 3.76Å; M56-Y156 HydrophobicContact CG-CE1 3.73Å; M56-Y156 HydrophobicContact SD-CD1 3.88Å; M56-Y156 HydrophobicContact SD-CE1 4.38Å; M56-E159 HydrophobicContact CE-CB 4.06Å; M56-E159 HydrophobicContact CE-CG 4.47Å; M56-I162 HydrophobicContact CE-CD1 3.44Å; M56-I162 VanDerWaalsContact CE-CD1 3.44Å |
| 57 | H | 98.7 | Very high | 98.5 | Very high | 21 Ų | 21 | 45.2 Ų | 45.2 | 10% | 0.097 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -57.2 | -52 | 175.5 | 174.5 | 82.1 | 0 | 0 | 0 | 110.4 | L53 Q54 E55 R59 L60 V61 I67 F98 | L53-H57 WeakPolarHBondContact O-CB 3.38Å; L53-H57 PolarHBondContact O-N 3.38Å; Q54-H57 WeakPolarHBondContact O-CB 3.11Å; Q54-H57 PolarHBondContact O-N 3.44Å; E55-H57 VanDerWaalsContact C-N 3.34Å; E55-H57 PolarHBondContact O-N 3.03Å; H57-R59 VanDerWaalsContact C-N 3.28Å; H57-R59 PolarHBondContact O-N 2.83Å; H57-L60 PolarHBondContact O-N 3.21Å; H57-V61 WeakPolarHBondContact O-CB 3.34Å; H57-V61 WeakPolarHBondContact O-CG1 3.25Å; H57-V61 PolarHBondContact O-N 2.86Å; H57-I67 HydrophobicContact CB-CD1 3.94Å; H57-F98 HydrophobicContact CB-CB 4.43Å; H57-F98 HydrophobicContact CB-CD1 4.13Å |
| 58 | T | 98.6 | Very high | 98.6 | Very high | 93 Ų | 93 | 42.6 Ų | 42.6 | 57% | 0.571 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -54.4 | -43.1 | 179.5 | -66.3 | 0 | 0 | 0 | 0 | 112.1 | Q54 E55 | Q54-T58 PolarHBondContact NE2-OG1 3.24Å; Q54-T58 PolarHBondContact O-N 2.97Å; Q54-T58 PolarHBondContact O-OG1 3.12Å; E55-T58 PolarHBondContact O-N 2.91Å |
| 59 | R | 98.5 | Very high | 98.6 | Very high | 97 Ų | 97 | 37.4 Ų | 37.4 | 37% | 0.366 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -76.2 | -38.4 | 179.9 | -70.7 | -169.2 | -61.9 | 115.1 | 4.5 | 114.5 | E55 M56 H57 E159 | E55-R59 VanDerWaalsContact CD-NE 3.27Å; E55-R59 PolarHBondContact O-N 3.4Å; E55-R59 VanDerWaalsContact O-N 3.1Å; E55-R59 WeakPolarHBondContact OE1-CD 2.94Å; E55-R59 WeakPolarHBondContact OE1-CG 3.37Å; E55-R59 IonicContact OE1-CZ 3.51Å; E55-R59 IonicContact OE1-NE 3.41Å; E55-R59 PolarHBondContact OE1-NE 3.38Å; E55-R59 IonicContact OE2-CZ 3.66Å; E55-R59 IonicContact OE2-NE 3.79Å; E55-R59 PolarHBondContact OE2-NE 2.88Å; E55-R59 VanDerWaalsContact OE2-NE 3.13Å; E55-R59 IonicContact OE2-NH2 2.71Å; E55-R59 PolarHBondContact OE2-NH2 3.41Å; E55-R59 VanDerWaalsContact OE2-NH2 3.16Å; M56-R59 PolarHBondContact O-N 2.99Å; H57-R59 VanDerWaalsContact C-N 3.28Å; H57-R59 PolarHBondContact O-N 2.83Å; R59-E159 IonicContact CZ-OE1 3.49Å; R59-E159 IonicContact CZ-OE2 2.78Å; R59-E159 IonicContact NH1-OE1 2.64Å; R59-E159 PolarHBondContact NH1-OE1 2.84Å; R59-E159 IonicContact NH1-OE2 2.91Å; R59-E159 IonicContact NH2-OE1 2.66Å; R59-E159 PolarHBondContact NH2-OE1 2.97Å; R59-E159 VanDerWaalsContact NH2-OE1 3.15Å; R59-E159 IonicContact NH2-OE2 3.69Å; R59-E159 PolarHBondContact NH2-OE2 2.83Å |
| 60 | L | 98.4 | Very high | 98.6 | Very high | 4 Ų | 4 | 37.1 Ų | 37.1 | 2% | 0.021 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -108.8 | -9 | -163.9 | -56.7 | 177.8 | 0 | 0 | 0 | 113.7 | M56 H57 G62 K63 G64 L65 E159 I162 M163 L166 | M56-L60 VanDerWaalsContact O-CB 3.27Å; M56-L60 WeakPolarHBondContact O-CB 3.3Å; M56-L60 WeakPolarHBondContact O-CG 3.14Å; M56-L60 PolarHBondContact O-N 3.04Å; H57-L60 PolarHBondContact O-N 3.21Å; L60-G62 VanDerWaalsContact C-N 3.27Å; L60-G62 PolarHBondContact O-N 2.86Å; L60-K63 HydrophobicContact CD2-CD 4Å; L60-K63 PolarHBondContact O-N 2.81Å; L60-G64 PolarHBondContact O-N 3.39Å; L60-L65 HydrophobicContact CB-CB 3.72Å; L60-L65 HydrophobicContact CB-CD2 3.74Å; L60-L65 HydrophobicContact CB-CG 4.39Å; L60-L65 HydrophobicContact CD1-CD2 3.99Å; L60-L65 HydrophobicContact CG-CD2 4.47Å; L60-L65 WeakPolarHBondContact O-CB 3.45Å; L60-L65 PolarHBondContact O-N 2.72Å; L60-L65 VanDerWaalsContact O-N 3.1Å; L60-E159 HydrophobicContact CD1-CG 4.41Å; L60-I162 HydrophobicContact CD1-CG2 4.03Å; L60-M163 HydrophobicContact CD2-SD 3.79Å; L60-L166 HydrophobicContact CB-CD1 4.39Å; L60-L166 HydrophobicContact CD2-CD1 4.49Å |
| 61 | V | 98.2 | Very high | 98.6 | Very high | 45 Ų | 45 | 37.1 Ų | 37.1 | 27% | 0.273 | 19% | 0.192 | S | C | . | . | G | 310 helix | trans | -57.6 | -40.5 | 178.5 | 66 | 0 | 0 | 0 | 0 | 112 | H57 K63 G64 R66 | H57-V61 WeakPolarHBondContact O-CB 3.34Å; H57-V61 WeakPolarHBondContact O-CG1 3.25Å; H57-V61 PolarHBondContact O-N 2.86Å; V61-K63 VanDerWaalsContact C-N 3.25Å; V61-K63 PolarHBondContact O-N 3.35Å; V61-G64 PolarHBondContact O-N 2.88Å; V61-R66 VanDerWaalsContact CG2-NH1 3.3Å; V61-R66 PolarHBondContact O-NH1 3.15Å |
| 62 | G | 97.6 | Very high | 98.6 | Very high | 81 Ų | 81 | 30.9 Ų | 30.9 | 84% | 0.835 | 17% | 0.169 | S | C | * | . | G | 310 helix | trans | -69.3 | -19.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | L60 | L60-G62 VanDerWaalsContact C-N 3.27Å; L60-G62 PolarHBondContact O-N 2.86Å |
| 63 | K | 97.6 | Very high | 98.6 | Very high | 127 Ų | 127 | 32.3 Ų | 32.3 | 55% | 0.552 | 18% | 0.178 | S | C | * | . | G | 310 helix | trans | -90.1 | -10.6 | 175.4 | -64.4 | 178.9 | -178.8 | -77.4 | 0 | 112.8 | L60 V61 R141 L166 | L60-K63 HydrophobicContact CD2-CD 4Å; L60-K63 PolarHBondContact O-N 2.81Å; V61-K63 VanDerWaalsContact C-N 3.25Å; V61-K63 PolarHBondContact O-N 3.35Å; K63-R141 PolarHBondContact O-NH2 3.36Å; K63-L166 HydrophobicContact CB-CD1 4.17Å; K63-L166 WeakPolarHBondContact O-CD2 3.33Å |
| 64 | G | 98.1 | Very high | 98.6 | Very high | 7 Ų | 7 | 35.9 Ų | 35.9 | 7% | 0.072 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 114.5 | 10.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | H32 V33 L60 V61 | H32-G64 WeakPolarHBondContact CB-O 3.48Å; V33-G64 PolarHBondContact N-O 3.1Å; L60-G64 PolarHBondContact O-N 3.39Å; V61-G64 PolarHBondContact O-N 2.88Å |
| 65 | L | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 136.7 | 171.4 | -179.7 | 64.5 | 0 | 0 | 0 | 110.6 | V33 L35 M56 L60 I67 I162 | V33-L65 HydrophobicContact CG1-CD1 4.38Å; V33-L65 CarbonylContact O-C 3.54Å; V33-L65 WeakPolarHBondContact O-CA 3.49Å; L35-L65 HydrophobicContact CB-CD1 4.33Å; M56-L65 HydrophobicContact CB-CD2 4.47Å; L60-L65 HydrophobicContact CB-CB 3.72Å; L60-L65 HydrophobicContact CB-CD2 3.74Å; L60-L65 HydrophobicContact CB-CG 4.39Å; L60-L65 HydrophobicContact CD1-CD2 3.99Å; L60-L65 HydrophobicContact CG-CD2 4.47Å; L60-L65 WeakPolarHBondContact O-CB 3.45Å; L60-L65 PolarHBondContact O-N 2.72Å; L60-L65 VanDerWaalsContact O-N 3.1Å; L65-I67 HydrophobicContact CD2-CD1 4.3Å; L65-I67 HydrophobicContact CD2-CG1 4.19Å; L65-I67 HydrophobicContact CG-CG1 4.24Å; L65-I162 HydrophobicContact CD1-CD1 4.19Å; L65-I162 HydrophobicContact CD1-CG1 4.33Å; L65-I162 HydrophobicContact CD1-CG2 3.99Å; L65-I162 HydrophobicContact CD2-CG2 4.4Å |
| 66 | R | 98.9 | Very high | 98.5 | Very high | 59 Ų | 59 | 35.5 Ų | 35.5 | 22% | 0.223 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 125.7 | 170.6 | -62.6 | -70.9 | 179.1 | -88.2 | 2.4 | 108.7 | Y29 H32 V33 C34 L35 V61 L68 | Y29-R66 HydrophobicContact CD1-CB 3.78Å; Y29-R66 HydrophobicContact CD1-CG 3.84Å; Y29-R66 HydrophobicContact CE1-CB 4.07Å; Y29-R66 HydrophobicContact CE1-CG 4.28Å; H32-R66 HydrophobicContact CB-CB 4.49Å; H32-R66 HydrophobicContact CB-CG 3.68Å; H32-R66 PolarHBondContact CD2-NH2 2.86Å; H32-R66 PolarHBondContact NE2-NH2 2.87Å; V33-R66 PolarHBondContact O-N 3.24Å; C34-R66 CarbonylContact C-O 3.53Å; C34-R66 VanDerWaalsContact CA-O 3.24Å; C34-R66 WeakPolarHBondContact CA-O 3.2Å; L35-R66 PolarHBondContact N-O 2.87Å; V61-R66 VanDerWaalsContact CG2-NH1 3.3Å; V61-R66 PolarHBondContact O-NH1 3.15Å; R66-L68 HydrophobicContact CB-CD1 4.04Å |
| 67 | I | 98.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 128 | 176.7 | -58.5 | -178.2 | 0 | 0 | 0 | 107.2 | L35 L53 H57 L65 F98 D99 | L35-I67 HydrophobicContact CB-CG1 4.34Å; L35-I67 WeakPolarHBondContact O-CA 3.12Å; L53-I67 HydrophobicContact CB-CD1 4.09Å; L53-I67 HydrophobicContact CD2-CD1 3.95Å; L53-I67 HydrophobicContact CD2-CG2 4.18Å; L53-I67 WeakPolarHBondContact O-CD1 3.35Å; H57-I67 HydrophobicContact CB-CD1 3.94Å; L65-I67 HydrophobicContact CD2-CD1 4.3Å; L65-I67 HydrophobicContact CD2-CG1 4.19Å; L65-I67 HydrophobicContact CG-CG1 4.24Å; I67-F98 HydrophobicContact CB-CB 3.77Å; I67-F98 HydrophobicContact CB-CD1 4.42Å; I67-F98 HydrophobicContact CB-CD2 4.29Å; I67-F98 HydrophobicContact CB-CG 3.93Å; I67-F98 HydrophobicContact CD1-CD1 4.47Å; I67-F98 HydrophobicContact CG2-CB 4.33Å; I67-F98 HydrophobicContact CG2-CD1 4.37Å; I67-F98 HydrophobicContact CG2-CD2 3.9Å; I67-F98 HydrophobicContact CG2-CE2 4.28Å; I67-F98 HydrophobicContact CG2-CG 3.95Å; I67-D99 PolarHBondContact O-N 2.83Å |
| 68 | L | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 111.9 | -179.7 | -70.2 | 70.4 | 0 | 0 | 0 | 108.5 | L26 Y29 C34 L35 I36 V37 R66 F70 F101 | L26-L68 HydrophobicContact CD2-CD2 3.92Å; Y29-L68 HydrophobicContact CD1-CD1 4.15Å; Y29-L68 HydrophobicContact CD2-CD2 3.92Å; Y29-L68 HydrophobicContact CE1-CD1 3.95Å; Y29-L68 HydrophobicContact CE1-CG 4.3Å; Y29-L68 HydrophobicContact CE2-CD1 4.47Å; Y29-L68 HydrophobicContact CE2-CD2 3.64Å; Y29-L68 HydrophobicContact CE2-CG 4.15Å; Y29-L68 HydrophobicContact CG-CD1 4.48Å; C34-L68 HydrophobicContact CB-CD1 4.03Å; L35-L68 PolarHBondContact O-N 3.1Å; I36-L68 WeakPolarHBondContact CA-O 3.47Å; I36-L68 HydrophobicContact CG1-CB 4.26Å; I36-L68 HydrophobicContact CG1-CD2 4.4Å; V37-L68 PolarHBondContact N-O 3.3Å; R66-L68 HydrophobicContact CB-CD1 4.04Å; L68-F70 HydrophobicContact CB-CE2 3.82Å; L68-F70 HydrophobicContact CD2-CE2 4.43Å; L68-F101 HydrophobicContact CB-CD2 4.23Å; L68-F101 HydrophobicContact CB-CE2 3.54Å; L68-F101 HydrophobicContact CB-CZ 4.32Å; L68-F101 HydrophobicContact CD2-CE2 3.97Å; L68-F101 HydrophobicContact CD2-CZ 3.89Å; L68-F101 HydrophobicContact CG-CE2 3.61Å; L68-F101 HydrophobicContact CG-CZ 3.94Å |
| 69 | A | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 120.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | V37 V39 P71 F98 D99 M100 F101 | V37-A69 WeakPolarHBondContact O-CA 3.3Å; V39-A69 HydrophobicContact CG1-CB 3.93Å; V39-A69 HydrophobicContact CG2-CB 4.24Å; A69-P71 WeakPolarHBondContact O-CD 3.21Å; A69-F98 HydrophobicContact CB-CD2 4.13Å; A69-F98 HydrophobicContact CB-CE2 3.67Å; A69-D99 PolarHBondContact N-O 3.41Å; A69-M100 HydrophobicContact CB-CE 4.26Å; A69-M100 HydrophobicContact CB-SD 3.52Å; A69-M100 VanDerWaalsContact CB-SD 3.52Å; A69-F101 PolarHBondContact O-N 2.97Å |
| 70 | F | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 104.5 | -176.8 | -70.3 | -89.9 | 0 | 0 | 0 | 110.5 | V16 I36 V37 N38 V39 L68 C72 F101 I104 L114 Y115 | V16-F70 HydrophobicContact CB-CE1 4.06Å; V16-F70 HydrophobicContact CG1-CE1 4.02Å; V16-F70 HydrophobicContact CG1-CZ 4.36Å; V16-F70 HydrophobicContact CG2-CE1 4.08Å; V16-F70 HydrophobicContact CG2-CZ 4.15Å; I36-F70 HydrophobicContact CG2-CD2 3.8Å; I36-F70 HydrophobicContact CG2-CE2 3.75Å; V37-F70 PolarHBondContact O-N 3.23Å; N38-F70 CarbonylContact C-O 3.56Å; N38-F70 VanDerWaalsContact CA-O 3.28Å; N38-F70 WeakPolarHBondContact CA-O 3.43Å; V39-F70 PolarHBondContact N-O 3Å; L68-F70 HydrophobicContact CB-CE2 3.82Å; L68-F70 HydrophobicContact CD2-CE2 4.43Å; F70-C72 PolarHBondContact O-N 3.1Å; F70-F101 HydrophobicContact CD1-CB 3.49Å; F70-F101 VanDerWaalsContact CD1-CB 3.49Å; F70-F101 HydrophobicContact CD1-CD2 4.35Å; F70-F101 AromaticContact CD1-CG 3.93Å; F70-F101 HydrophobicContact CD1-CG 3.93Å; F70-F101 HydrophobicContact CD2-CD2 4.34Å; F70-F101 HydrophobicContact CE1-CB 3.51Å; F70-F101 AromaticContact CE1-CD1 3.83Å; F70-F101 HydrophobicContact CE1-CD1 3.83Å; F70-F101 AromaticContact CE1-CD2 3.96Å; F70-F101 HydrophobicContact CE1-CD2 3.96Å; F70-F101 AromaticContact CE1-CG 3.46Å; F70-F101 HydrophobicContact CE1-CG 3.46Å; F70-F101 VanDerWaalsContact CE1-CG 3.46Å; F70-F101 AromaticContact CE2-CD2 3.94Å; F70-F101 HydrophobicContact CE2-CD2 3.94Å; F70-F101 HydrophobicContact CE2-CE2 4.28Å; F70-F101 HydrophobicContact CE2-CG 4.31Å; F70-F101 HydrophobicContact CG-CB 4.17Å; F70-F101 HydrophobicContact CZ-CB 4.2Å; F70-F101 AromaticContact CZ-CD1 3.99Å; F70-F101 HydrophobicContact CZ-CD1 3.99Å; F70-F101 AromaticContact CZ-CD2 3.74Å; F70-F101 HydrophobicContact CZ-CD2 3.74Å; F70-F101 HydrophobicContact CZ-CE1 4.32Å; F70-F101 HydrophobicContact CZ-CE2 4.1Å; F70-F101 AromaticContact CZ-CG 3.68Å; F70-F101 HydrophobicContact CZ-CG 3.68Å; F70-F101 HydrophobicContact CZ-CZ 4.36Å; F70-I104 HydrophobicContact CB-CD1 3.87Å; F70-I104 HydrophobicContact CB-CG1 4.05Å; F70-I104 HydrophobicContact CD1-CD1 3.62Å; F70-I104 HydrophobicContact CD1-CG1 4.19Å; F70-I104 HydrophobicContact CE1-CD1 4.45Å; F70-I104 HydrophobicContact CG-CD1 3.95Å; F70-L114 HydrophobicContact CE1-CD2 4.23Å; F70-L114 HydrophobicContact CE2-CD2 3.92Å; F70-L114 HydrophobicContact CZ-CD2 3.58Å; F70-Y115 HydrophobicContact CB-CE2 4.05Å; F70-Y115 HydrophobicContact CD2-CE2 4.01Å; F70-Y115 AromaticContact CG-CE2 3.96Å; F70-Y115 HydrophobicContact CG-CE2 3.96Å |
| 71 | P | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.1 | 137.2 | 175.7 | -23.2 | 33.8 | 0 | 0 | 0 | 111.5 | V39 A69 E79 I86 M100 F101 K103 I104 | V39-P71 HydrophobicContact CG2-CB 4.32Å; V39-P71 HydrophobicContact CG2-CG 4.11Å; A69-P71 WeakPolarHBondContact O-CD 3.21Å; P71-E79 HydrophobicContact CB-CG 3.68Å; P71-I86 HydrophobicContact CB-CD1 3.9Å; P71-I86 HydrophobicContact CG-CD1 4.26Å; P71-I86 HydrophobicContact CG-CG2 4Å; P71-M100 HydrophobicContact CG-CE 4.32Å; P71-F101 WeakPolarHBondContact CD-O 3.4Å; P71-F101 WeakPolarHBondContact CG-O 3.46Å; P71-K103 HydrophobicContact CB-CB 4.23Å; P71-K103 HydrophobicContact CB-CG 4.3Å; P71-K103 VanDerWaalsContact O-CA 3.31Å; P71-K103 WeakPolarHBondContact O-CA 3.28Å; P71-K103 WeakPolarHBondContact O-CG 3.48Å; P71-I104 PolarHBondContact O-N 2.88Å |
| 72 | C | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 23% | 0.227 | C | C | . | . | trans | -144.9 | 125 | -179.9 | -172.2 | 0 | 0 | 0 | 0 | 112.1 | N38 V39 F70 F75 E79 I104 V106 | N38-C72 HydrophobicContact CB-CB 4.44Å; V39-C72 PolarHBondContact O-N 3.28Å; F70-C72 PolarHBondContact O-N 3.1Å; C72-F75 HydrophobicContact CB-CE2 4.46Å; C72-E79 WeakPolarHBondContact O-CB 3.24Å; C72-I104 PolarHBondContact SG-O 3.45Å; C72-V106 HydrophobicContact CB-CG1 4.28Å | ||
| 73 | N | 98.7 | Very high | 98.5 | Very high | 61 Ų | 61 | 35 Ų | 35 | 33% | 0.326 | 20% | 0.2 | S | C | . | . | trans | -96.6 | 10.5 | -177.1 | -157.9 | 33.9 | 0 | 0 | 0 | 114.3 | F75 G77 Q78 E79 K103 | N73-F75 PolarHBondContact O-N 3Å; N73-G77 WeakPolarHBondContact OD1-CA 3.49Å; N73-G77 PolarHBondContact OD1-O 2.98Å; N73-Q78 PolarHBondContact OD1-N 2.91Å; N73-E79 HydrophobicContact CB-CB 4.23Å; N73-E79 WeakPolarHBondContact CB-O 3.48Å; N73-E79 VanDerWaalsContact CG-O 3.25Å; N73-E79 WeakPolarHBondContact OD1-CA 3.3Å; N73-E79 PolarHBondContact OD1-N 2.94Å; N73-E79 PolarHBondContact OD1-O 2.85Å; N73-K103 HydrophobicContact CB-CD 4.21Å | ||
| 74 | Q | 98.7 | Very high | 98.5 | Very high | 74 Ų | 74 | 32.3 Ų | 32.3 | 35% | 0.346 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -11.4 | -175.3 | -68 | -173.1 | -71.1 | 0 | 0 | 114.1 | K105 N107 | Q74-K105 HydrophobicContact CG-CG 4.29Å; Q74-N107 PolarHBondContact NE2-O 3.07Å |
| 75 | F | 98.5 | Very high | 98.6 | Very high | 13 Ų | 13 | 36.6 Ų | 36.6 | 6% | 0.057 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.8 | 97.2 | -171 | -50.9 | -73.1 | 0 | 0 | 0 | 110.1 | N38 C72 N73 G77 Q78 V106 I130 W132 N133 | N38-F75 WeakPolarHBondContact ND2-CE2 3.43Å; C72-F75 HydrophobicContact CB-CE2 4.46Å; N73-F75 PolarHBondContact O-N 3Å; F75-G77 PolarHBondContact O-N 3.15Å; F75-Q78 WeakPolarHBondContact O-CG 3.41Å; F75-Q78 PolarHBondContact O-N 2.95Å; F75-V106 HydrophobicContact CE2-CG2 3.65Å; F75-V106 HydrophobicContact CZ-CG2 3.57Å; F75-I130 HydrophobicContact CE1-CG2 4.37Å; F75-I130 WeakPolarHBondContact CE1-O 3.25Å; F75-I130 HydrophobicContact CE2-CG2 4.09Å; F75-I130 HydrophobicContact CZ-CB 3.86Å; F75-I130 HydrophobicContact CZ-CG2 3.57Å; F75-W132 HydrophobicContact CB-CD2 3.95Å; F75-W132 HydrophobicContact CB-CE3 3.75Å; F75-W132 HydrophobicContact CB-CH2 4.18Å; F75-W132 HydrophobicContact CB-CZ2 4.37Å; F75-W132 HydrophobicContact CB-CZ3 3.87Å; F75-W132 AromaticContact CD1-CE3 3.98Å; F75-W132 HydrophobicContact CD1-CE3 3.98Å; F75-W132 HydrophobicContact CD1-CZ3 4.49Å; F75-W132 HydrophobicContact CG-CE3 4.25Å; F75-N133 WeakPolarHBondContact CD2-OD1 3.4Å; F75-N133 PolarHBondContact O-ND2 3.15Å |
| 76 | G | 97.5 | Very high | 98.6 | Very high | 62 Ų | 62 | 36.6 Ų | 36.6 | 64% | 0.639 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.5 | 16.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q78 | G76-Q78 PolarHBondContact O-N 2.82Š|
| 77 | G | 97.8 | Very high | 98.5 | Very high | 39 Ų | 39 | 37.8 Ų | 37.8 | 40% | 0.402 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.3 | 27.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | N73 F75 E79 P80 | N73-G77 WeakPolarHBondContact OD1-CA 3.49Å; N73-G77 PolarHBondContact OD1-O 2.98Å; F75-G77 PolarHBondContact O-N 3.15Å; G77-E79 VanDerWaalsContact C-N 3.29Å; G77-E79 PolarHBondContact O-N 3.06Å; G77-P80 WeakPolarHBondContact O-CD 3.15Å |
| 78 | Q | 98.1 | Very high | 98.5 | Very high | 42 Ų | 42 | 43.2 Ų | 43.2 | 20% | 0.196 | 25% | 0.25 | C | S | . | . | trans | -84.2 | 5.5 | -170.2 | -65.9 | -176.6 | -24.4 | 0 | 0 | 114.7 | A40 C41 K42 U43 N73 F75 G76 P80 N133 | A40-Q78 HydrophobicContact CB-CB 3.93Å; C41-Q78 PolarHBondContact N-O 3.35Å; K42-Q78 HydrophobicContact CB-CB 4.37Å; K42-Q78 WeakPolarHBondContact CB-O 3.46Å; K42-Q78 PolarHBondContact N-O 2.91Å; K42-Q78 VanDerWaalsContact O-CG 3.29Å; K42-Q78 WeakPolarHBondContact O-CG 3.43Å; C43-Q78 HydrophobicContact CB-CB 4.42Å; C43-Q78 PolarHBondContact SG-OE1 3.48Å; N73-Q78 PolarHBondContact OD1-N 2.91Å; F75-Q78 WeakPolarHBondContact O-CG 3.41Å; F75-Q78 PolarHBondContact O-N 2.95Å; G76-Q78 PolarHBondContact O-N 2.82Å; Q78-P80 VanDerWaalsContact C-CD 3.49Å; Q78-N133 PolarHBondContact OE1-ND2 2.92Å | ||
| 79 | E | 98.4 | Very high | 98.5 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 26% | 0.259 | C | S | . | . | trans | -134 | 58.3 | 173.8 | -162 | 69.8 | -63.3 | 0 | 0 | 111.4 | A40 C41 P71 C72 N73 G77 I86 K103 | A40-E79 VanDerWaalsContact C-OE2 3.32Å; A40-E79 VanDerWaalsContact CA-CD 3.48Å; A40-E79 WeakPolarHBondContact CA-OE2 3.48Å; A40-E79 HydrophobicContact CB-CB 4.34Å; A40-E79 PolarHBondContact N-OE2 3.19Å; C41-E79 WeakPolarHBondContact CB-OE1 3.48Å; C41-E79 PolarHBondContact N-OE1 3.25Å; C41-E79 PolarHBondContact N-OE2 3.19Å; C41-E79 VanDerWaalsContact N-OE2 3.15Å; C41-E79 PolarHBondContact SG-OE1 3.05Å; P71-E79 HydrophobicContact CB-CG 3.68Å; C72-E79 WeakPolarHBondContact O-CB 3.24Å; N73-E79 HydrophobicContact CB-CB 4.23Å; N73-E79 WeakPolarHBondContact CB-O 3.48Å; N73-E79 VanDerWaalsContact CG-O 3.25Å; N73-E79 WeakPolarHBondContact OD1-CA 3.3Å; N73-E79 PolarHBondContact OD1-N 2.94Å; N73-E79 PolarHBondContact OD1-O 2.85Å; G77-E79 VanDerWaalsContact C-N 3.29Å; G77-E79 PolarHBondContact O-N 3.06Å; E79-I86 HydrophobicContact CG-CD1 3.87Å; E79-K103 WeakPolarHBondContact O-CE 3.32Å; E79-K103 PolarHBondContact O-NZ 2.87Å | ||
| 80 | P | 98.3 | Very high | 98.5 | Very high | 59 Ų | 59 | 45.2 Ų | 45.2 | 38% | 0.383 | 26% | 0.259 | S | S | . | . | trans | -77.9 | -24.5 | -168.4 | 32.2 | -36 | 0 | 0 | 0 | 113.3 | K42 G77 Q78 K103 | K42-P80 HydrophobicContact CD-CG 4.05Å; G77-P80 WeakPolarHBondContact O-CD 3.15Å; Q78-P80 VanDerWaalsContact C-CD 3.49Å; P80-K103 PolarHBondContact O-NZ 2.9Å | ||
| 81 | W | 98.6 | Very high | 98.5 | Very high | 79 Ų | 79 | 48.1 Ų | 48.1 | 30% | 0.299 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -70.7 | 156.7 | -171.4 | -61.5 | -40.3 | 0 | 0 | 0 | 113.6 | C41 K42 E85 I86 F89 K103 | C41-W81 HydrophobicContact CB-CE3 3.73Å; C41-W81 HydrophobicContact CB-CH2 4.33Å; C41-W81 HydrophobicContact CB-CZ3 3.37Å; K42-W81 HydrophobicContact CD-CZ2 4.4Å; K42-W81 VanDerWaalsContact CE-CE2 3.42Å; K42-W81 HydrophobicContact CG-CH2 4.37Å; K42-W81 HydrophobicContact CG-CZ2 4.44Å; W81-E85 HydrophobicContact CB-CB 3.92Å; W81-E85 HydrophobicContact CG-CB 4.31Å; W81-I86 HydrophobicContact CB-CG1 4.05Å; W81-I86 WeakPolarHBondContact O-CD1 3.45Å; W81-F89 AromaticContact CH2-CD2 3.86Å; W81-F89 HydrophobicContact CH2-CD2 3.86Å; W81-F89 HydrophobicContact CH2-CE2 4.13Å; W81-F89 HydrophobicContact CH2-CG 4.32Å; W81-F89 HydrophobicContact CZ3-CB 3.93Å; W81-F89 HydrophobicContact CZ3-CD1 4.19Å; W81-F89 AromaticContact CZ3-CD2 3.7Å; W81-F89 HydrophobicContact CZ3-CD2 3.7Å; W81-F89 HydrophobicContact CZ3-CE2 4.2Å; W81-F89 AromaticContact CZ3-CG 3.68Å; W81-F89 HydrophobicContact CZ3-CG 3.68Å; W81-K103 VanDerWaalsContact O-CE 3.3Å; W81-K103 WeakPolarHBondContact O-CE 3.46Å; W81-K103 PolarHBondContact O-NZ 2.87Å |
| 82 | A | 98.4 | Very high | 98.5 | Very high | 51 Ų | 51 | 54.4 Ų | 54.4 | 42% | 0.421 | 31% | 0.306 | S | S | . | . | trans | -72.2 | 166.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | A84 E85 I86 | A82-A84 VanDerWaalsContact C-N 3.26Å; A82-A84 PolarHBondContact O-N 2.85Å; A82-E85 WeakPolarHBondContact CB-OE2 3.18Å; A82-E85 PolarHBondContact O-N 3.18Å; A82-I86 WeakPolarHBondContact O-CG1 3.49Å; A82-I86 PolarHBondContact O-N 3.35Å | ||
| 83 | E | 98.7 | Very high | 98.4 | Very high | 60 Ų | 60 | 59 Ų | 59 | 28% | 0.28 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -56.6 | -37.9 | -172.6 | -76 | 73.7 | -168 | 0 | 0 | 112.8 | I19 I86 K87 K103 | I19-E83 HydrophobicContact CG1-CB 3.91Å; I19-E83 HydrophobicContact CG1-CG 4.33Å; I19-E83 WeakPolarHBondContact CG1-O 3.31Å; I19-E83 WeakPolarHBondContact O-CB 3.33Å; E83-I86 PolarHBondContact O-N 3.49Å; E83-K87 WeakPolarHBondContact O-CB 3.31Å; E83-K87 PolarHBondContact O-N 2.64Å; E83-K103 WeakPolarHBondContact OE1-CB 3.3Å; E83-K103 PolarHBondContact OE1-N 2.95Å; E83-K103 VanDerWaalsContact OE1-N 3.08Å |
| 84 | A | 98.5 | Very high | 98.4 | Very high | 71 Ų | 71 | 57.1 Ų | 57.1 | 59% | 0.587 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -64 | -44 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | A82 K87 K88 | A82-A84 VanDerWaalsContact C-N 3.26Å; A82-A84 PolarHBondContact O-N 2.85Å; A84-K87 PolarHBondContact O-N 3.22Å; A84-K88 WeakPolarHBondContact O-CB 3.25Å; A84-K88 PolarHBondContact O-N 2.99Å |
| 85 | E | 98.7 | Very high | 98.4 | Very high | 98 Ų | 98 | 55.1 Ų | 55.1 | 46% | 0.458 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -71.5 | -36.8 | 176.8 | -66.4 | 84.1 | 172.5 | 0 | 0 | 112 | W81 A82 K88 F89 | W81-E85 HydrophobicContact CB-CB 3.92Å; W81-E85 HydrophobicContact CG-CB 4.31Å; A82-E85 WeakPolarHBondContact CB-OE2 3.18Å; A82-E85 PolarHBondContact O-N 3.18Å; E85-K88 PolarHBondContact O-N 2.67Å; E85-F89 VanDerWaalsContact O-CB 3.3Å; E85-F89 WeakPolarHBondContact O-CB 3.27Å; E85-F89 PolarHBondContact O-N 3.32Å |
| 86 | I | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -59.1 | -50.7 | 172.4 | -67.3 | 165.3 | 0 | 0 | 0 | 109.3 | I19 P71 E79 W81 A82 E83 K88 F89 V90 M100 | I19-I86 HydrophobicContact CD1-CB 4.25Å; I19-I86 HydrophobicContact CD1-CG2 3.91Å; P71-I86 HydrophobicContact CB-CD1 3.9Å; P71-I86 HydrophobicContact CG-CD1 4.26Å; P71-I86 HydrophobicContact CG-CG2 4Å; E79-I86 HydrophobicContact CG-CD1 3.87Å; W81-I86 HydrophobicContact CB-CG1 4.05Å; W81-I86 WeakPolarHBondContact O-CD1 3.45Å; A82-I86 WeakPolarHBondContact O-CG1 3.49Å; A82-I86 PolarHBondContact O-N 3.35Å; E83-I86 PolarHBondContact O-N 3.49Å; I86-K88 PolarHBondContact O-N 2.66Å; I86-F89 PolarHBondContact O-N 2.85Å; I86-V90 WeakPolarHBondContact O-CG2 3.32Å; I86-V90 PolarHBondContact O-N 3.42Å; I86-M100 HydrophobicContact CG2-CE 4.09Å |
| 87 | K | 98.7 | Very high | 98.5 | Very high | 83 Ų | 83 | 58.4 Ų | 58.4 | 36% | 0.361 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -55.1 | -53.5 | 177.9 | -174.4 | 179.2 | -178.2 | -179.3 | 0 | 110.4 | I19 N20 E83 A84 F89 V90 T91 | I19-K87 HydrophobicContact CD1-CB 3.66Å; I19-K87 HydrophobicContact CD1-CG 4.43Å; I19-K87 HydrophobicContact CG1-CB 4.06Å; I19-K87 HydrophobicContact CG2-CB 4.45Å; I19-K87 HydrophobicContact CG2-CD 3.91Å; I19-K87 HydrophobicContact CG2-CG 4.23Å; N20-K87 PolarHBondContact OD1-NZ 2.94Å; E83-K87 WeakPolarHBondContact O-CB 3.31Å; E83-K87 PolarHBondContact O-N 2.64Å; A84-K87 PolarHBondContact O-N 3.22Å; K87-F89 PolarHBondContact O-N 3.14Å; K87-V90 WeakPolarHBondContact O-CG2 3.45Å; K87-V90 PolarHBondContact O-N 2.99Å; K87-T91 HydrophobicContact CG-CG2 4.42Å; K87-T91 WeakPolarHBondContact O-CB 3.39Å; K87-T91 WeakPolarHBondContact O-CG2 3.4Å; K87-T91 PolarHBondContact O-N 2.91Å; K87-T91 PolarHBondContact O-OG1 3.46Å |
| 88 | K | 98.6 | Very high | 98.5 | Very high | 115 Ų | 115 | 57 Ų | 57 | 50% | 0.5 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -54.8 | -49.7 | 178.4 | -178.1 | -178 | 171.8 | 73.7 | 0 | 111.6 | A84 E85 I86 V90 T91 E92 | A84-K88 WeakPolarHBondContact O-CB 3.25Å; A84-K88 PolarHBondContact O-N 2.99Å; E85-K88 PolarHBondContact O-N 2.67Å; I86-K88 PolarHBondContact O-N 2.66Å; K88-V90 PolarHBondContact O-N 3.33Å; K88-T91 PolarHBondContact O-N 3Å; K88-T91 PolarHBondContact O-OG1 2.92Å; K88-E92 WeakPolarHBondContact CE-OE1 3.45Å; K88-E92 WeakPolarHBondContact CE-OE2 3.37Å; K88-E92 HydrophobicContact CG-CG 4.29Å; K88-E92 WeakPolarHBondContact CG-OE1 3.22Å; K88-E92 IonicContact NZ-OE1 2.77Å; K88-E92 PolarHBondContact NZ-OE1 3.22Å; K88-E92 IonicContact NZ-OE2 2.97Å; K88-E92 VanDerWaalsContact O-CB 3.31Å; K88-E92 WeakPolarHBondContact O-CB 3.34Å; K88-E92 VanDerWaalsContact O-CG 3.31Å; K88-E92 WeakPolarHBondContact O-CG 3.41Å; K88-E92 PolarHBondContact O-N 2.74Å |
| 89 | F | 98.7 | Very high | 98.6 | Very high | 43 Ų | 43 | 57.2 Ų | 57.2 | 19% | 0.189 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -58.9 | -49.5 | -179 | 173.5 | -94.8 | 0 | 0 | 0 | 112.2 | C41 T46 W81 E85 I86 K87 K93 Y94 | C41-F89 HydrophobicContact CB-CD1 3.74Å; C41-F89 HydrophobicContact CB-CE1 3.63Å; C41-F89 HydrophobicContact CB-CG 4.41Å; C41-F89 HydrophobicContact CB-CZ 4.24Å; C41-F89 WeakPolarHBondContact SG-CD1 3.18Å; T46-F89 HydrophobicContact CG2-CE1 4.19Å; W81-F89 AromaticContact CH2-CD2 3.86Å; W81-F89 HydrophobicContact CH2-CD2 3.86Å; W81-F89 HydrophobicContact CH2-CE2 4.13Å; W81-F89 HydrophobicContact CH2-CG 4.32Å; W81-F89 HydrophobicContact CZ3-CB 3.93Å; W81-F89 HydrophobicContact CZ3-CD1 4.19Å; W81-F89 AromaticContact CZ3-CD2 3.7Å; W81-F89 HydrophobicContact CZ3-CD2 3.7Å; W81-F89 HydrophobicContact CZ3-CE2 4.2Å; W81-F89 AromaticContact CZ3-CG 3.68Å; W81-F89 HydrophobicContact CZ3-CG 3.68Å; E85-F89 VanDerWaalsContact O-CB 3.3Å; E85-F89 WeakPolarHBondContact O-CB 3.27Å; E85-F89 PolarHBondContact O-N 3.32Å; I86-F89 PolarHBondContact O-N 2.85Å; K87-F89 PolarHBondContact O-N 3.14Å; F89-K93 HydrophobicContact CE1-CD 4.45Å; F89-K93 HydrophobicContact CE2-CD 3.8Å; F89-K93 HydrophobicContact CZ-CD 3.72Å; F89-K93 WeakPolarHBondContact O-CB 3.25Å; F89-K93 PolarHBondContact O-N 3.37Å; F89-Y94 HydrophobicContact CD1-CE2 4.28Å; F89-Y94 AromaticContact CE1-CE2 3.65Å; F89-Y94 HydrophobicContact CE1-CE2 3.65Å; F89-Y94 HydrophobicContact CZ-CE2 4.26Å |
| 90 | V | 98.6 | Very high | 98.6 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -72.4 | -33.4 | -175.3 | -58.2 | 0 | 0 | 0 | 0 | 112.2 | Y50 I86 K87 K88 Y94 G95 V96 M100 | Y50-V90 HydrophobicContact CD1-CG1 4.33Å; Y50-V90 HydrophobicContact CE1-CB 4.15Å; Y50-V90 HydrophobicContact CE1-CG1 3.62Å; Y50-V90 HydrophobicContact CE2-CG1 4.23Å; Y50-V90 WeakPolarHBondContact OH-CG1 3.34Å; I86-V90 WeakPolarHBondContact O-CG2 3.32Å; I86-V90 PolarHBondContact O-N 3.42Å; K87-V90 WeakPolarHBondContact O-CG2 3.45Å; K87-V90 PolarHBondContact O-N 2.99Å; K88-V90 PolarHBondContact O-N 3.33Å; V90-Y94 HydrophobicContact CB-CD2 4.38Å; V90-Y94 PolarHBondContact O-N 2.89Å; V90-Y94 VanDerWaalsContact O-N 3.14Å; V90-G95 PolarHBondContact O-N 3.2Å; V90-V96 HydrophobicContact CB-CB 4.28Å; V90-V96 HydrophobicContact CB-CG2 3.8Å; V90-V96 HydrophobicContact CG2-CB 4.09Å; V90-V96 HydrophobicContact CG2-CG1 4.46Å; V90-V96 HydrophobicContact CG2-CG2 4.14Å; V90-V96 PolarHBondContact O-N 3.41Å; V90-M100 HydrophobicContact CG1-CE 4.31Å; V90-M100 HydrophobicContact CG2-CE 4Å; V90-M100 HydrophobicContact CG2-CG 4.27Å; V90-M100 HydrophobicContact CG2-SD 4.17Å |
| 91 | T | 98.2 | Very high | 98.6 | Very high | 61 Ų | 61 | 55.3 Ų | 55.3 | 37% | 0.374 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -70.5 | -46.2 | 175.5 | 54.7 | 0 | 0 | 0 | 0 | 111.5 | K87 K88 G95 | K87-T91 HydrophobicContact CG-CG2 4.42Å; K87-T91 WeakPolarHBondContact O-CB 3.39Å; K87-T91 WeakPolarHBondContact O-CG2 3.4Å; K87-T91 PolarHBondContact O-N 2.91Å; K87-T91 PolarHBondContact O-OG1 3.46Å; K88-T91 PolarHBondContact O-N 3Å; K88-T91 PolarHBondContact O-OG1 2.92Å; T91-G95 WeakPolarHBondContact O-CA 3.45Å; T91-G95 PolarHBondContact O-N 2.93Å |
| 92 | E | 98.6 | Very high | 98.6 | Very high | 131 Ų | 131 | 52.4 Ų | 52.4 | 61% | 0.612 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -71.7 | -39 | -176.8 | -71.4 | 178.9 | 174 | 0 | 0 | 112.1 | K88 | K88-E92 WeakPolarHBondContact CE-OE1 3.45Å; K88-E92 WeakPolarHBondContact CE-OE2 3.37Å; K88-E92 HydrophobicContact CG-CG 4.29Å; K88-E92 WeakPolarHBondContact CG-OE1 3.22Å; K88-E92 IonicContact NZ-OE1 2.77Å; K88-E92 PolarHBondContact NZ-OE1 3.22Å; K88-E92 IonicContact NZ-OE2 2.97Å; K88-E92 VanDerWaalsContact O-CB 3.31Å; K88-E92 WeakPolarHBondContact O-CB 3.34Å; K88-E92 VanDerWaalsContact O-CG 3.31Å; K88-E92 WeakPolarHBondContact O-CG 3.41Å; K88-E92 PolarHBondContact O-N 2.74Å |
| 93 | K | 98.5 | Very high | 98.7 | Very high | 98 Ų | 98 | 52.8 Ų | 52.8 | 43% | 0.426 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -86.2 | -34.4 | -174.1 | -167 | 173.5 | 178.2 | -163.1 | 0 | 113.9 | D47 F89 | D47-K93 IonicContact OD1-NZ 3.62Å; D47-K93 PolarHBondContact OD1-NZ 3.32Å; D47-K93 IonicContact OD2-NZ 2.67Å; F89-K93 HydrophobicContact CE1-CD 4.45Å; F89-K93 HydrophobicContact CE2-CD 3.8Å; F89-K93 HydrophobicContact CZ-CD 3.72Å; F89-K93 WeakPolarHBondContact O-CB 3.25Å; F89-K93 PolarHBondContact O-N 3.37Å |
| 94 | Y | 98.6 | Very high | 98.7 | Very high | 20 Ų | 20 | 51.3 Ų | 51.3 | 8% | 0.078 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -123.7 | -5.7 | -173.3 | -46.4 | -66.5 | 0 | 0 | 0 | 113.9 | T46 D47 Y50 R51 F89 V90 V96 | T46-Y94 HydrophobicContact CG2-CE2 4.24Å; T46-Y94 VanDerWaalsContact CG2-OH 3.3Å; T46-Y94 WeakPolarHBondContact CG2-OH 3.42Å; D47-Y94 PolarHBondContact OD1-OH 3.37Å; Y50-Y94 VanDerWaalsContact CB-CD2 3.46Å; Y50-Y94 HydrophobicContact CD1-CD2 4.08Å; Y50-Y94 HydrophobicContact CD1-CE2 4.49Å; Y50-Y94 HydrophobicContact CD2-CD2 4.12Å; Y50-Y94 AromaticContact CD2-CE2 3.72Å; Y50-Y94 HydrophobicContact CD2-CE2 3.72Å; Y50-Y94 HydrophobicContact CE2-CE2 4.44Å; Y50-Y94 AromaticContact CG-CD2 3.64Å; Y50-Y94 HydrophobicContact CG-CD2 3.64Å; Y50-Y94 AromaticContact CG-CE2 3.74Å; Y50-Y94 HydrophobicContact CG-CE2 3.74Å; Y50-Y94 HydrophobicContact CG-CG 4.27Å; R51-Y94 HydrophobicContact CG-CD1 3.98Å; R51-Y94 HydrophobicContact CG-CE1 4.45Å; F89-Y94 HydrophobicContact CD1-CE2 4.28Å; F89-Y94 AromaticContact CE1-CE2 3.65Å; F89-Y94 HydrophobicContact CE1-CE2 3.65Å; F89-Y94 HydrophobicContact CZ-CE2 4.26Å; V90-Y94 HydrophobicContact CB-CD2 4.38Å; V90-Y94 PolarHBondContact O-N 2.89Å; V90-Y94 VanDerWaalsContact O-N 3.14Å; Y94-V96 VanDerWaalsContact C-N 3.29Å; Y94-V96 PolarHBondContact O-N 2.73Å |
| 95 | G | 98.6 | Very high | 98.7 | Very high | 32 Ų | 32 | 52.4 Ų | 52.4 | 33% | 0.33 | 25% | 0.254 | S | S | . | . | trans | 65.6 | 30.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | V90 T91 Q97 | V90-G95 PolarHBondContact O-N 3.2Å; T91-G95 WeakPolarHBondContact O-CA 3.45Å; T91-G95 PolarHBondContact O-N 2.93Å; G95-Q97 WeakPolarHBondContact O-CG 3.29Å; G95-Q97 PolarHBondContact O-N 3.47Å; G95-Q97 PolarHBondContact O-NE2 3.18Å | ||
| 96 | V | 98.7 | Very high | 98.7 | Very high | 9 Ų | 9 | 47.8 Ų | 47.8 | 6% | 0.055 | 23% | 0.233 | C | C | . | . | trans | -51.2 | 122.8 | -175 | 170 | 0 | 0 | 0 | 0 | 111.9 | Y50 Q54 V90 Y94 F98 M100 | Y50-V96 HydrophobicContact CD1-CG2 3.87Å; Y50-V96 HydrophobicContact CE1-CG2 4.28Å; Q54-V96 VanDerWaalsContact OE1-CA 3.27Å; V90-V96 HydrophobicContact CB-CB 4.28Å; V90-V96 HydrophobicContact CB-CG2 3.8Å; V90-V96 HydrophobicContact CG2-CB 4.09Å; V90-V96 HydrophobicContact CG2-CG1 4.46Å; V90-V96 HydrophobicContact CG2-CG2 4.14Å; V90-V96 PolarHBondContact O-N 3.41Å; Y94-V96 VanDerWaalsContact C-N 3.29Å; Y94-V96 PolarHBondContact O-N 2.73Å; V96-F98 HydrophobicContact CB-CE1 4.39Å; V96-F98 HydrophobicContact CB-CZ 4.3Å; V96-F98 HydrophobicContact CG1-CD1 3.96Å; V96-F98 HydrophobicContact CG1-CD2 3.65Å; V96-F98 HydrophobicContact CG1-CE1 3.85Å; V96-F98 HydrophobicContact CG1-CE2 3.51Å; V96-F98 HydrophobicContact CG1-CG 3.87Å; V96-F98 HydrophobicContact CG1-CZ 3.63Å; V96-F98 HydrophobicContact CG2-CE1 3.92Å; V96-F98 HydrophobicContact CG2-CE2 4.31Å; V96-F98 HydrophobicContact CG2-CZ 3.68Å; V96-M100 HydrophobicContact CG1-CG 3.96Å; V96-M100 HydrophobicContact CG1-SD 4.04Å | ||
| 97 | Q | 98.6 | Very high | 98.7 | Very high | 135 Ų | 135 | 48.8 Ų | 48.8 | 63% | 0.631 | 24% | 0.238 | S | C | * | . | trans | -112.8 | -10.8 | 175.5 | -59.2 | -55 | -57.9 | 0 | 0 | 113 | G95 | G95-Q97 WeakPolarHBondContact O-CG 3.29Å; G95-Q97 PolarHBondContact O-N 3.47Å; G95-Q97 PolarHBondContact O-NE2 3.18Å | ||
| 98 | F | 98.8 | Very high | 98.6 | Very high | 9 Ų | 9 | 47.3 Ų | 47.3 | 4% | 0.039 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -79.5 | 167.9 | 175.2 | 55.3 | -103.5 | 0 | 0 | 0 | 112.5 | Y50 L53 Q54 H57 I67 A69 V96 M100 | Y50-F98 AromaticContact CD1-CZ 3.9Å; Y50-F98 HydrophobicContact CD1-CZ 3.9Å; Y50-F98 HydrophobicContact CE1-CE2 4.49Å; Y50-F98 HydrophobicContact CE1-CZ 4.15Å; L53-F98 HydrophobicContact CB-CE1 3.87Å; L53-F98 HydrophobicContact CB-CZ 4.18Å; Q54-F98 HydrophobicContact CB-CE1 4.22Å; H57-F98 HydrophobicContact CB-CB 4.43Å; H57-F98 HydrophobicContact CB-CD1 4.13Å; I67-F98 HydrophobicContact CB-CB 3.77Å; I67-F98 HydrophobicContact CB-CD1 4.42Å; I67-F98 HydrophobicContact CB-CD2 4.29Å; I67-F98 HydrophobicContact CB-CG 3.93Å; I67-F98 HydrophobicContact CD1-CD1 4.47Å; I67-F98 HydrophobicContact CG2-CB 4.33Å; I67-F98 HydrophobicContact CG2-CD1 4.37Å; I67-F98 HydrophobicContact CG2-CD2 3.9Å; I67-F98 HydrophobicContact CG2-CE2 4.28Å; I67-F98 HydrophobicContact CG2-CG 3.95Å; A69-F98 HydrophobicContact CB-CD2 4.13Å; A69-F98 HydrophobicContact CB-CE2 3.67Å; V96-F98 HydrophobicContact CB-CE1 4.39Å; V96-F98 HydrophobicContact CB-CZ 4.3Å; V96-F98 HydrophobicContact CG1-CD1 3.96Å; V96-F98 HydrophobicContact CG1-CD2 3.65Å; V96-F98 HydrophobicContact CG1-CE1 3.85Å; V96-F98 HydrophobicContact CG1-CE2 3.51Å; V96-F98 HydrophobicContact CG1-CG 3.87Å; V96-F98 HydrophobicContact CG1-CZ 3.63Å; V96-F98 HydrophobicContact CG2-CE1 3.92Å; V96-F98 HydrophobicContact CG2-CE2 4.31Å; V96-F98 HydrophobicContact CG2-CZ 3.68Å; F98-M100 HydrophobicContact CD2-SD 4.26Å; F98-M100 HydrophobicContact CE2-SD 3.73Å; F98-M100 PolarHBondContact O-N 3.39Å |
| 99 | D | 98.8 | Very high | 98.5 | Very high | 47 Ų | 47 | 46.5 Ų | 46.5 | 25% | 0.251 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 119.9 | -171.4 | -67.7 | -49.8 | 0 | 0 | 0 | 111.4 | K28 Y29 I67 A69 F101 | K28-D99 IonicContact NZ-OD1 2.85Å; K28-D99 PolarHBondContact NZ-OD1 3.05Å; K28-D99 IonicContact NZ-OD2 2.65Å; Y29-D99 WeakPolarHBondContact CE1-OD2 3.43Å; Y29-D99 VanDerWaalsContact CZ-OD2 3.27Å; Y29-D99 WeakPolarHBondContact OH-CB 3.39Å; Y29-D99 PolarHBondContact OH-OD2 2.81Å; I67-D99 PolarHBondContact O-N 2.83Å; A69-D99 PolarHBondContact N-O 3.41Å; D99-F101 HydrophobicContact CB-CE2 3.81Å; D99-F101 HydrophobicContact CB-CZ 4.18Å |
| 100 | M | 98.9 | Very high | 98.5 | Very high | 17 Ų | 17 | 49.3 Ų | 49.3 | 8% | 0.084 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 137.8 | 174.9 | -65.4 | -67.3 | -59.5 | 0 | 0 | 110 | I19 V39 Y50 A69 P71 I86 V90 V96 F98 | I19-M100 HydrophobicContact CB-CB 3.87Å; I19-M100 WeakPolarHBondContact CB-O 3.47Å; I19-M100 HydrophobicContact CD1-CB 3.77Å; I19-M100 HydrophobicContact CD1-CE 4.1Å; I19-M100 HydrophobicContact CD1-CG 4.47Å; I19-M100 HydrophobicContact CG1-CB 4.44Å; I19-M100 HydrophobicContact CG2-CB 3.83Å; I19-M100 PolarHBondContact N-O 3.39Å; V39-M100 HydrophobicContact CG2-CE 4.37Å; Y50-M100 HydrophobicContact CE1-SD 4.49Å; A69-M100 HydrophobicContact CB-CE 4.26Å; A69-M100 HydrophobicContact CB-SD 3.52Å; A69-M100 VanDerWaalsContact CB-SD 3.52Å; P71-M100 HydrophobicContact CG-CE 4.32Å; I86-M100 HydrophobicContact CG2-CE 4.09Å; V90-M100 HydrophobicContact CG1-CE 4.31Å; V90-M100 HydrophobicContact CG2-CE 4Å; V90-M100 HydrophobicContact CG2-CG 4.27Å; V90-M100 HydrophobicContact CG2-SD 4.17Å; V96-M100 HydrophobicContact CG1-CG 3.96Å; V96-M100 HydrophobicContact CG1-SD 4.04Å; F98-M100 HydrophobicContact CD2-SD 4.26Å; F98-M100 HydrophobicContact CE2-SD 3.73Å; F98-M100 PolarHBondContact O-N 3.39Å |
| 101 | F | 98.9 | Very high | 98.5 | Very high | 2 Ų | 2 | 49.4 Ų | 49.4 | 1% | 0.009 | 27% | 0.273 | C | S | . | . | B | Isolated β-bridge | trans | -112.3 | 167.4 | -178.8 | -66.3 | -91.9 | 0 | 0 | 0 | 112 | V16 K17 V24 L26 Y29 L68 A69 F70 P71 D99 | V16-F101 HydrophobicContact CB-CD1 4.19Å; V16-F101 HydrophobicContact CG2-CD1 3.35Å; V16-F101 HydrophobicContact CG2-CE1 3.28Å; V16-F101 HydrophobicContact CG2-CG 4.44Å; V16-F101 HydrophobicContact CG2-CZ 4.33Å; K17-F101 WeakPolarHBondContact O-CA 3.34Å; K17-F101 WeakPolarHBondContact O-CB 3.45Å; K17-F101 WeakPolarHBondContact O-CD1 3.35Å; V24-F101 HydrophobicContact CB-CE1 4.46Å; L26-F101 HydrophobicContact CD2-CE1 4.31Å; L26-F101 HydrophobicContact CD2-CZ 4.34Å; Y29-F101 HydrophobicContact CE2-CZ 4.2Å; Y29-F101 WeakPolarHBondContact OH-CZ 3.28Å; L68-F101 HydrophobicContact CB-CD2 4.23Å; L68-F101 HydrophobicContact CB-CE2 3.54Å; L68-F101 HydrophobicContact CB-CZ 4.32Å; L68-F101 HydrophobicContact CD2-CE2 3.97Å; L68-F101 HydrophobicContact CD2-CZ 3.89Å; L68-F101 HydrophobicContact CG-CE2 3.61Å; L68-F101 HydrophobicContact CG-CZ 3.94Å; A69-F101 PolarHBondContact O-N 2.97Å; F70-F101 HydrophobicContact CD1-CB 3.49Å; F70-F101 VanDerWaalsContact CD1-CB 3.49Å; F70-F101 HydrophobicContact CD1-CD2 4.35Å; F70-F101 AromaticContact CD1-CG 3.93Å; F70-F101 HydrophobicContact CD1-CG 3.93Å; F70-F101 HydrophobicContact CD2-CD2 4.34Å; F70-F101 HydrophobicContact CE1-CB 3.51Å; F70-F101 AromaticContact CE1-CD1 3.83Å; F70-F101 HydrophobicContact CE1-CD1 3.83Å; F70-F101 AromaticContact CE1-CD2 3.96Å; F70-F101 HydrophobicContact CE1-CD2 3.96Å; F70-F101 AromaticContact CE1-CG 3.46Å; F70-F101 HydrophobicContact CE1-CG 3.46Å; F70-F101 VanDerWaalsContact CE1-CG 3.46Å; F70-F101 AromaticContact CE2-CD2 3.94Å; F70-F101 HydrophobicContact CE2-CD2 3.94Å; F70-F101 HydrophobicContact CE2-CE2 4.28Å; F70-F101 HydrophobicContact CE2-CG 4.31Å; F70-F101 HydrophobicContact CG-CB 4.17Å; F70-F101 HydrophobicContact CZ-CB 4.2Å; F70-F101 AromaticContact CZ-CD1 3.99Å; F70-F101 HydrophobicContact CZ-CD1 3.99Å; F70-F101 AromaticContact CZ-CD2 3.74Å; F70-F101 HydrophobicContact CZ-CD2 3.74Å; F70-F101 HydrophobicContact CZ-CE1 4.32Å; F70-F101 HydrophobicContact CZ-CE2 4.1Å; F70-F101 AromaticContact CZ-CG 3.68Å; F70-F101 HydrophobicContact CZ-CG 3.68Å; F70-F101 HydrophobicContact CZ-CZ 4.36Å; P71-F101 WeakPolarHBondContact CD-O 3.4Å; P71-F101 WeakPolarHBondContact CG-O 3.46Å; D99-F101 HydrophobicContact CB-CE2 3.81Å; D99-F101 HydrophobicContact CB-CZ 4.18Å |
| 102 | S | 98.8 | Very high | 98.5 | Very high | 18 Ų | 18 | 48.6 Ų | 48.6 | 13% | 0.126 | 27% | 0.267 | C | S | . | . | trans | -63.5 | 158.5 | 170.5 | -72.9 | 0 | 0 | 0 | 0 | 111.2 | K17 D18 | K17-S102 PolarHBondContact O-N 2.88Å; D18-S102 PolarHBondContact O-N 3.46Å; D18-S102 PolarHBondContact O-OG 3.12Å | ||
| 103 | K | 98.8 | Very high | 98.5 | Very high | 59 Ų | 59 | 45.7 Ų | 45.7 | 26% | 0.257 | 26% | 0.255 | S | S | . | . | trans | -67.3 | 137 | -179.9 | -171.4 | -173.9 | -55.8 | -174.6 | 0 | 111.1 | P71 N73 E79 P80 W81 E83 | P71-K103 HydrophobicContact CB-CB 4.23Å; P71-K103 HydrophobicContact CB-CG 4.3Å; P71-K103 VanDerWaalsContact O-CA 3.31Å; P71-K103 WeakPolarHBondContact O-CA 3.28Å; P71-K103 WeakPolarHBondContact O-CG 3.48Å; N73-K103 HydrophobicContact CB-CD 4.21Å; E79-K103 WeakPolarHBondContact O-CE 3.32Å; E79-K103 PolarHBondContact O-NZ 2.87Å; P80-K103 PolarHBondContact O-NZ 2.9Å; W81-K103 VanDerWaalsContact O-CE 3.3Å; W81-K103 WeakPolarHBondContact O-CE 3.46Å; W81-K103 PolarHBondContact O-NZ 2.87Å; E83-K103 WeakPolarHBondContact OE1-CB 3.3Å; E83-K103 PolarHBondContact OE1-N 2.95Å; E83-K103 VanDerWaalsContact OE1-N 3.08Å | ||
| 104 | I | 98.9 | Very high | 98.5 | Very high | 29 Ų | 29 | 41 Ų | 41 | 15% | 0.149 | 24% | 0.235 | C | C | . | . | trans | -134.1 | 165.8 | 179.6 | 60.9 | 166.2 | 0 | 0 | 0 | 112.5 | F70 P71 C72 V106 D112 Y115 | F70-I104 HydrophobicContact CB-CD1 3.87Å; F70-I104 HydrophobicContact CB-CG1 4.05Å; F70-I104 HydrophobicContact CD1-CD1 3.62Å; F70-I104 HydrophobicContact CD1-CG1 4.19Å; F70-I104 HydrophobicContact CE1-CD1 4.45Å; F70-I104 HydrophobicContact CG-CD1 3.95Å; P71-I104 PolarHBondContact O-N 2.88Å; C72-I104 PolarHBondContact SG-O 3.45Å; I104-V106 HydrophobicContact CD1-CG1 4.18Å; I104-V106 HydrophobicContact CG1-CG1 4.29Å; I104-D112 HydrophobicContact CB-CB 4.17Å; I104-D112 HydrophobicContact CD1-CB 3.74Å; I104-D112 HydrophobicContact CG2-CB 4.33Å; I104-Y115 HydrophobicContact CD1-CD2 3.43Å; I104-Y115 VanDerWaalsContact CD1-CD2 3.43Å; I104-Y115 HydrophobicContact CD1-CE2 3.51Å; I104-Y115 HydrophobicContact CD1-CG 4.44Å | ||
| 105 | K | 98.8 | Very high | 98.5 | Very high | 95 Ų | 95 | 40 Ų | 40 | 41% | 0.413 | 23% | 0.231 | S | C | . | . | trans | -88.9 | 140.2 | 160.2 | -69.7 | 176.5 | -177.9 | -178.5 | 0 | 108.8 | Q74 D110 A111 D112 | Q74-K105 HydrophobicContact CG-CG 4.29Å; K105-D110 HydrophobicContact CD-CB 3.65Å; K105-D110 IonicContact NZ-OD2 3.29Å; K105-D110 PolarHBondContact NZ-OD2 3.24Å; K105-A111 CarbonylContact O-C 3.57Å; K105-A111 VanDerWaalsContact O-CA 3.31Å; K105-A111 WeakPolarHBondContact O-CA 3.49Å; K105-D112 PolarHBondContact O-N 3.09Å | ||
| 106 | V | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.23 | C | C | . | . | trans | -110.5 | -13.7 | 177.1 | -57.4 | 0 | 0 | 0 | 0 | 112.4 | N38 C72 F75 I104 Y115 K119 I130 | N38-V106 HydrophobicContact CB-CG1 4.14Å; C72-V106 HydrophobicContact CB-CG1 4.28Å; F75-V106 HydrophobicContact CE2-CG2 3.65Å; F75-V106 HydrophobicContact CZ-CG2 3.57Å; I104-V106 HydrophobicContact CD1-CG1 4.18Å; I104-V106 HydrophobicContact CG1-CG1 4.29Å; V106-Y115 HydrophobicContact CB-CD1 3.49Å; V106-Y115 VanDerWaalsContact CB-CD1 3.49Å; V106-Y115 HydrophobicContact CB-CE1 3.9Å; V106-Y115 HydrophobicContact CB-CG 3.85Å; V106-Y115 HydrophobicContact CG1-CD1 3.48Å; V106-Y115 VanDerWaalsContact CG1-CD1 3.48Å; V106-Y115 HydrophobicContact CG1-CD2 3.94Å; V106-Y115 HydrophobicContact CG1-CE1 3.49Å; V106-Y115 VanDerWaalsContact CG1-CE1 3.49Å; V106-Y115 HydrophobicContact CG1-CE2 3.97Å; V106-Y115 HydrophobicContact CG1-CG 3.69Å; V106-K119 WeakPolarHBondContact O-CE 3.34Å; V106-K119 PolarHBondContact O-NZ 3.15Å; V106-I130 HydrophobicContact CB-CG1 3.89Å; V106-I130 HydrophobicContact CG2-CB 3.75Å; V106-I130 HydrophobicContact CG2-CG1 3.69Å; V106-I130 HydrophobicContact CG2-CG2 4.03Å | ||
| 107 | N | 98.5 | Very high | 98.4 | Very high | 21 Ų | 21 | 41.5 Ų | 41.5 | 11% | 0.112 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -127.3 | 159.2 | 176.9 | -70.1 | -30.5 | 0 | 0 | 0 | 111.3 | Q74 N129 I130 | Q74-N107 PolarHBondContact NE2-O 3.07Å; N107-N129 WeakPolarHBondContact OD1-CA 3.45Å; N107-I130 PolarHBondContact ND2-O 2.65Å; N107-I130 PolarHBondContact OD1-N 2.72Å |
| 108 | G | 97.5 | Very high | 98.4 | Very high | 53 Ų | 53 | 35 Ų | 35 | 55% | 0.546 | 20% | 0.198 | S | C | . | . | S | Bend | trans | 87.8 | 177.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | D110 A111 | G108-D110 PolarHBondContact O-N 2.85Å; G108-A111 VanDerWaalsContact O-CB 3.26Å; G108-A111 WeakPolarHBondContact O-CB 3.29Å; G108-A111 PolarHBondContact O-N 2.74Å |
| 109 | S | 96.7 | Very high | 98.3 | Very high | 97 Ų | 97 | 35.6 Ų | 35.6 | 68% | 0.678 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59 | -37.6 | 176 | 49.4 | 0 | 0 | 0 | 0 | 112.2 | A111 K116 | S109-A111 PolarHBondContact O-N 3Å; S109-K116 WeakPolarHBondContact O-CE 3.28Å; S109-K116 PolarHBondContact O-NZ 2.88Å |
| 110 | D | 97.8 | Very high | 98.2 | Very high | 102 Ų | 102 | 36.4 Ų | 36.4 | 55% | 0.545 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | 9.3 | -177.8 | -49.5 | -12.9 | 0 | 0 | 0 | 112.5 | K105 G108 | K105-D110 HydrophobicContact CD-CB 3.65Å; K105-D110 IonicContact NZ-OD2 3.29Å; K105-D110 PolarHBondContact NZ-OD2 3.24Å; G108-D110 PolarHBondContact O-N 2.85Å |
| 111 | A | 98.4 | Very high | 98.1 | Very high | 3 Ų | 3 | 40.2 Ų | 40.2 | 3% | 0.025 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -59.3 | 144.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | K105 G108 S109 D113 K116 | K105-A111 CarbonylContact O-C 3.57Å; K105-A111 VanDerWaalsContact O-CA 3.31Å; K105-A111 WeakPolarHBondContact O-CA 3.49Å; G108-A111 VanDerWaalsContact O-CB 3.26Å; G108-A111 WeakPolarHBondContact O-CB 3.29Å; G108-A111 PolarHBondContact O-N 2.74Å; S109-A111 PolarHBondContact O-N 3Å; A111-D113 PolarHBondContact O-N 3.37Å; A111-K116 HydrophobicContact CB-CG 4.07Å; A111-K116 WeakPolarHBondContact O-CE 3.4Å; A111-K116 PolarHBondContact O-NZ 2.9Å; A111-K116 VanDerWaalsContact O-NZ 3.09Å |
| 112 | D | 98.5 | Very high | 98 | Very high | 43 Ų | 43 | 42.3 Ų | 42.3 | 23% | 0.23 | 23% | 0.233 | C | C | . | . | trans | -56.8 | 138.9 | 171.9 | -167.4 | -79.8 | 0 | 0 | 0 | 109.9 | I104 K105 L114 Y115 K116 | I104-D112 HydrophobicContact CB-CB 4.17Å; I104-D112 HydrophobicContact CD1-CB 3.74Å; I104-D112 HydrophobicContact CG2-CB 4.33Å; K105-D112 PolarHBondContact O-N 3.09Å; D112-L114 PolarHBondContact O-N 2.87Å; D112-L114 WeakPolarHBondContact OD1-CB 3.01Å; D112-L114 PolarHBondContact OD1-N 3.08Å; D112-Y115 PolarHBondContact O-N 2.81Å; D112-K116 PolarHBondContact O-N 2.99Å | ||
| 113 | D | 97.9 | Very high | 97.8 | Very high | 70 Ų | 70 | 47.4 Ų | 47.4 | 37% | 0.374 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -60.5 | -31.6 | -176.3 | -81.3 | -5.1 | 0 | 0 | 0 | 111.9 | W8 F14 A111 Y115 K116 F117 | W8-D113 HydrophobicContact CH2-CB 3.4Å; W8-D113 VanDerWaalsContact CH2-CG 3.41Å; W8-D113 HydrophobicContact CZ2-CB 3.6Å; W8-D113 HydrophobicContact CZ3-CB 4.3Å; F14-D113 HydrophobicContact CD1-CB 4.19Å; F14-D113 VanDerWaalsContact CE1-C 3.42Å; F14-D113 HydrophobicContact CE1-CB 4Å; F14-D113 WeakPolarHBondContact CE1-O 3.49Å; A111-D113 PolarHBondContact O-N 3.37Å; D113-Y115 PolarHBondContact O-N 3.05Å; D113-K116 PolarHBondContact O-N 2.9Å; D113-K116 IonicContact OD1-NZ 2.74Å; D113-K116 PolarHBondContact OD1-NZ 3.13Å; D113-F117 PolarHBondContact O-N 3.32Å |
| 114 | L | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58 | -49.1 | 170.2 | 175.5 | 65.1 | 0 | 0 | 0 | 111 | I11 F14 V16 L26 I36 F70 D112 K116 F117 L118 | I11-L114 HydrophobicContact CB-CD1 4.17Å; I11-L114 HydrophobicContact CG2-CD1 4Å; F14-L114 HydrophobicContact CD1-CB 4.18Å; F14-L114 HydrophobicContact CD2-CD1 4.13Å; F14-L114 HydrophobicContact CG-CB 4.32Å; F14-L114 HydrophobicContact CG-CD1 4.24Å; V16-L114 HydrophobicContact CG1-CD2 4.28Å; L26-L114 HydrophobicContact CD1-CD1 3.82Å; L26-L114 HydrophobicContact CD1-CD2 3.83Å; L26-L114 HydrophobicContact CD1-CG 4.41Å; I36-L114 HydrophobicContact CD1-CD1 4.49Å; F70-L114 HydrophobicContact CE1-CD2 4.23Å; F70-L114 HydrophobicContact CE2-CD2 3.92Å; F70-L114 HydrophobicContact CZ-CD2 3.58Å; D112-L114 PolarHBondContact O-N 2.87Å; D112-L114 WeakPolarHBondContact OD1-CB 3.01Å; D112-L114 PolarHBondContact OD1-N 3.08Å; L114-K116 VanDerWaalsContact C-N 3.34Å; L114-K116 PolarHBondContact O-N 3.09Å; L114-F117 WeakPolarHBondContact O-CB 3.4Å; L114-F117 PolarHBondContact O-N 3.24Å; L114-L118 HydrophobicContact CD1-CD1 4.32Å; L114-L118 HydrophobicContact CD1-CG 4.26Å; L114-L118 HydrophobicContact CG-CD1 4.04Å; L114-L118 HydrophobicContact CG-CG 4.37Å; L114-L118 VanDerWaalsContact O-CG 3.29Å; L114-L118 WeakPolarHBondContact O-CG 3.18Å; L114-L118 PolarHBondContact O-N 2.67Å |
| 115 | Y | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -70.7 | -30.2 | -179.4 | -91.8 | -97.4 | 0 | 0 | 0 | 112.5 | I36 V37 N38 F70 I104 V106 D112 D113 F117 K119 I130 F137 | I36-Y115 HydrophobicContact CG2-CE2 4.31Å; V37-Y115 VanDerWaalsContact C-OH 3.31Å; N38-Y115 WeakPolarHBondContact CA-OH 3.34Å; N38-Y115 HydrophobicContact CB-CE1 4.16Å; N38-Y115 WeakPolarHBondContact CB-OH 3.49Å; N38-Y115 PolarHBondContact N-OH 3.36Å; N38-Y115 VanDerWaalsContact N-OH 3.09Å; F70-Y115 HydrophobicContact CB-CE2 4.05Å; F70-Y115 HydrophobicContact CD2-CE2 4.01Å; F70-Y115 AromaticContact CG-CE2 3.96Å; F70-Y115 HydrophobicContact CG-CE2 3.96Å; I104-Y115 HydrophobicContact CD1-CD2 3.43Å; I104-Y115 VanDerWaalsContact CD1-CD2 3.43Å; I104-Y115 HydrophobicContact CD1-CE2 3.51Å; I104-Y115 HydrophobicContact CD1-CG 4.44Å; V106-Y115 HydrophobicContact CB-CD1 3.49Å; V106-Y115 VanDerWaalsContact CB-CD1 3.49Å; V106-Y115 HydrophobicContact CB-CE1 3.9Å; V106-Y115 HydrophobicContact CB-CG 3.85Å; V106-Y115 HydrophobicContact CG1-CD1 3.48Å; V106-Y115 VanDerWaalsContact CG1-CD1 3.48Å; V106-Y115 HydrophobicContact CG1-CD2 3.94Å; V106-Y115 HydrophobicContact CG1-CE1 3.49Å; V106-Y115 VanDerWaalsContact CG1-CE1 3.49Å; V106-Y115 HydrophobicContact CG1-CE2 3.97Å; V106-Y115 HydrophobicContact CG1-CG 3.69Å; D112-Y115 PolarHBondContact O-N 2.81Å; D113-Y115 PolarHBondContact O-N 3.05Å; Y115-F117 VanDerWaalsContact C-N 3.35Å; Y115-K119 WeakPolarHBondContact O-CB 3.48Å; Y115-K119 WeakPolarHBondContact O-CE 3.33Å; Y115-K119 WeakPolarHBondContact O-CG 3.39Å; Y115-K119 PolarHBondContact O-N 2.66Å; Y115-K119 VanDerWaalsContact O-N 3.09Å; Y115-I130 HydrophobicContact CD1-CD1 4.24Å; Y115-I130 HydrophobicContact CD1-CG1 4.1Å; Y115-I130 HydrophobicContact CE1-CD1 4.42Å; Y115-I130 HydrophobicContact CE1-CG1 4.37Å; Y115-F137 HydrophobicContact CE1-CE2 4.32Å |
| 116 | K | 97.7 | Very high | 96.4 | Very high | 69 Ų | 69 | 54.3 Ų | 54.3 | 30% | 0.3 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60.6 | -46.5 | 169.3 | -67.1 | 177.8 | -171.8 | 146.2 | 0 | 110.6 | W8 S109 A111 D112 D113 L114 K119 S120 | W8-K116 HydrophobicContact CZ3-CB 4.3Å; S109-K116 WeakPolarHBondContact O-CE 3.28Å; S109-K116 PolarHBondContact O-NZ 2.88Å; A111-K116 HydrophobicContact CB-CG 4.07Å; A111-K116 WeakPolarHBondContact O-CE 3.4Å; A111-K116 PolarHBondContact O-NZ 2.9Å; A111-K116 VanDerWaalsContact O-NZ 3.09Å; D112-K116 PolarHBondContact O-N 2.99Å; D113-K116 PolarHBondContact O-N 2.9Å; D113-K116 IonicContact OD1-NZ 2.74Å; D113-K116 PolarHBondContact OD1-NZ 3.13Å; L114-K116 VanDerWaalsContact C-N 3.34Å; L114-K116 PolarHBondContact O-N 3.09Å; K116-K119 PolarHBondContact O-N 2.86Å; K116-S120 PolarHBondContact O-N 2.79Å |
| 117 | F | 97.9 | Very high | 96.2 | Very high | 2 Ų | 2 | 57.2 Ų | 57.2 | 1% | 0.009 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63.2 | -48.7 | 176.4 | 173.1 | -109.6 | 0 | 0 | 0 | 113.2 | W8 I11 F14 D113 L114 Y115 K119 S120 R121 P145 | W8-F117 HydrophobicContact CB-CD2 3.6Å; W8-F117 HydrophobicContact CB-CE2 3.88Å; W8-F117 HydrophobicContact CB-CG 4.28Å; W8-F117 HydrophobicContact CE3-CB 3.78Å; W8-F117 HydrophobicContact CE3-CD2 4.35Å; W8-F117 HydrophobicContact CE3-CG 4.46Å; W8-F117 HydrophobicContact CZ3-CB 4.27Å; W8-F117 VanDerWaalsContact O-CE2 3.31Å; W8-F117 WeakPolarHBondContact O-CE2 3.47Å; I11-F117 HydrophobicContact CG2-CD1 4.25Å; I11-F117 HydrophobicContact CG2-CE1 3.88Å; F14-F117 HydrophobicContact CE1-CB 4.11Å; F14-F117 HydrophobicContact CE2-CB 4.02Å; F14-F117 AromaticContact CE2-CD1 3.61Å; F14-F117 HydrophobicContact CE2-CD1 3.61Å; F14-F117 HydrophobicContact CE2-CD2 4.45Å; F14-F117 HydrophobicContact CE2-CE1 4.16Å; F14-F117 AromaticContact CE2-CG 3.77Å; F14-F117 HydrophobicContact CE2-CG 3.77Å; F14-F117 HydrophobicContact CZ-CB 3.36Å; F14-F117 AromaticContact CZ-CD1 3.89Å; F14-F117 HydrophobicContact CZ-CD1 3.89Å; F14-F117 HydrophobicContact CZ-CD2 4.22Å; F14-F117 AromaticContact CZ-CG 3.57Å; F14-F117 HydrophobicContact CZ-CG 3.57Å; D113-F117 PolarHBondContact O-N 3.32Å; L114-F117 WeakPolarHBondContact O-CB 3.4Å; L114-F117 PolarHBondContact O-N 3.24Å; Y115-F117 VanDerWaalsContact C-N 3.35Å; F117-K119 VanDerWaalsContact C-N 3.28Å; F117-K119 PolarHBondContact O-N 3.13Å; F117-S120 PolarHBondContact O-N 3.34Å; F117-S120 VanDerWaalsContact O-N 3.09Å; F117-S120 PolarHBondContact O-OG 2.94Å; F117-R121 HydrophobicContact CD2-CG 3.84Å; F117-R121 HydrophobicContact CE1-CG 4.27Å; F117-R121 HydrophobicContact CE2-CG 3.45Å; F117-R121 VanDerWaalsContact CE2-CG 3.45Å; F117-R121 HydrophobicContact CG-CG 4.41Å; F117-R121 HydrophobicContact CZ-CG 3.69Å; F117-R121 WeakPolarHBondContact O-CG 3.11Å; F117-R121 PolarHBondContact O-N 2.95Å; F117-P145 HydrophobicContact CD1-CG 4.2Å; F117-P145 HydrophobicContact CE1-CG 3.6Å; F117-P145 HydrophobicContact CZ-CG 4.17Å |
| 118 | L | 98.4 | Very high | 96 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -56.3 | -44.2 | 177.8 | -68.9 | 174.5 | 0 | 0 | 0 | 111.5 | I11 I36 L114 R121 Q122 F137 V139 P145 | I11-L118 HydrophobicContact CG2-CD2 4.16Å; I36-L118 HydrophobicContact CB-CD1 4.31Å; I36-L118 HydrophobicContact CD1-CD1 3.93Å; I36-L118 HydrophobicContact CD1-CD2 4.08Å; I36-L118 HydrophobicContact CG2-CD1 3.87Å; L114-L118 HydrophobicContact CD1-CD1 4.32Å; L114-L118 HydrophobicContact CD1-CG 4.26Å; L114-L118 HydrophobicContact CG-CD1 4.04Å; L114-L118 HydrophobicContact CG-CG 4.37Å; L114-L118 VanDerWaalsContact O-CG 3.29Å; L114-L118 WeakPolarHBondContact O-CG 3.18Å; L114-L118 PolarHBondContact O-N 2.67Å; L118-R121 PolarHBondContact O-N 3.15Å; L118-Q122 PolarHBondContact O-N 3.1Å; L118-F137 HydrophobicContact CB-CD1 3.88Å; L118-F137 HydrophobicContact CB-CD2 4.23Å; L118-F137 HydrophobicContact CB-CE1 3.85Å; L118-F137 HydrophobicContact CB-CE2 4.22Å; L118-F137 HydrophobicContact CB-CG 4.06Å; L118-F137 HydrophobicContact CB-CZ 4.03Å; L118-F137 HydrophobicContact CD1-CB 4.39Å; L118-F137 HydrophobicContact CD1-CD2 4.02Å; L118-F137 HydrophobicContact CD1-CG 4.18Å; L118-F137 HydrophobicContact CD2-CB 4.15Å; L118-F137 HydrophobicContact CD2-CD1 4.45Å; L118-F137 HydrophobicContact CD2-CG 4.29Å; L118-F137 HydrophobicContact CG-CG 4.41Å; L118-F137 WeakPolarHBondContact O-CE1 3.35Å; L118-V139 HydrophobicContact CD2-CG2 4.27Å; L118-P145 HydrophobicContact CD2-CB 3.93Å; L118-P145 HydrophobicContact CD2-CG 3.57Å |
| 119 | K | 97.7 | Very high | 96 | Very high | 20 Ų | 20 | 60 Ų | 60 | 9% | 0.087 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -69.6 | -28.9 | 177.8 | -71.4 | -179 | -56.6 | -178.1 | 0 | 113.8 | V106 Y115 K116 F117 H123 N128 I130 F137 | V106-K119 WeakPolarHBondContact O-CE 3.34Å; V106-K119 PolarHBondContact O-NZ 3.15Å; Y115-K119 WeakPolarHBondContact O-CB 3.48Å; Y115-K119 WeakPolarHBondContact O-CE 3.33Å; Y115-K119 WeakPolarHBondContact O-CG 3.39Å; Y115-K119 PolarHBondContact O-N 2.66Å; Y115-K119 VanDerWaalsContact O-N 3.09Å; K116-K119 PolarHBondContact O-N 2.86Å; F117-K119 VanDerWaalsContact C-N 3.28Å; F117-K119 PolarHBondContact O-N 3.13Å; K119-H123 PolarHBondContact O-CD2 3.21Å; K119-N128 HydrophobicContact CB-CB 4.46Å; K119-N128 VanDerWaalsContact CD-O 3.29Å; K119-N128 WeakPolarHBondContact CD-O 3.4Å; K119-N128 WeakPolarHBondContact CG-O 3.46Å; K119-I130 HydrophobicContact CD-CD1 4.09Å; K119-I130 HydrophobicContact CD-CG1 4.16Å; K119-I130 HydrophobicContact CG-CD1 3.95Å; K119-F137 HydrophobicContact CG-CZ 4.25Å |
| 120 | S | 96.2 | Very high | 96.1 | Very high | 65 Ų | 65 | 55.6 Ų | 55.6 | 46% | 0.455 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -79.9 | -28.8 | 176.9 | 71.7 | 0 | 0 | 0 | 0 | 112.4 | K116 F117 H123 | K116-S120 PolarHBondContact O-N 2.79Å; F117-S120 PolarHBondContact O-N 3.34Å; F117-S120 VanDerWaalsContact O-N 3.09Å; F117-S120 PolarHBondContact O-OG 2.94Å; S120-H123 PolarHBondContact O-CD2 3.37Å; S120-H123 PolarHBondContact O-NE2 3.47Å |
| 121 | R | 96.8 | Very high | 96.1 | Very high | 96 Ų | 96 | 54.7 Ų | 54.7 | 36% | 0.362 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -83.1 | -34.1 | 174.5 | -62.1 | -60.9 | -65.9 | -86.2 | -4.5 | 112.7 | N9 F117 L118 Q144 P145 | N9-R121 PolarHBondContact O-NH1 2.55Å; F117-R121 HydrophobicContact CD2-CG 3.84Å; F117-R121 HydrophobicContact CE1-CG 4.27Å; F117-R121 HydrophobicContact CE2-CG 3.45Å; F117-R121 VanDerWaalsContact CE2-CG 3.45Å; F117-R121 HydrophobicContact CG-CG 4.41Å; F117-R121 HydrophobicContact CZ-CG 3.69Å; F117-R121 WeakPolarHBondContact O-CG 3.11Å; F117-R121 PolarHBondContact O-N 2.95Å; L118-R121 PolarHBondContact O-N 3.15Å; R121-Q144 VanDerWaalsContact CZ-OE1 3.3Å; R121-P145 HydrophobicContact CB-CB 3.96Å; R121-P145 HydrophobicContact CB-CG 3.9Å; R121-P145 HydrophobicContact CG-CG 4.15Å |
| 122 | Q | 96.4 | Very high | 96.1 | Very high | 46 Ų | 46 | 59.5 Ų | 59.5 | 22% | 0.215 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -127.8 | 93.4 | -178.3 | -65.7 | -66.4 | -33.8 | 0 | 0 | 110.3 | L118 F137 P145 V146 R148 | L118-Q122 PolarHBondContact O-N 3.1Å; Q122-F137 HydrophobicContact CB-CD1 3.91Å; Q122-F137 HydrophobicContact CB-CE1 3.85Å; Q122-F137 HydrophobicContact CG-CD1 4.43Å; Q122-P145 HydrophobicContact CG-CB 3.79Å; Q122-P145 PolarHBondContact NE2-O 3.27Å; Q122-V146 VanDerWaalsContact CD-C 3.49Å; Q122-V146 PolarHBondContact NE2-O 2.84Å; Q122-V146 VanDerWaalsContact NE2-O 3.16Å; Q122-R148 HydrophobicContact CB-CB 3.79Å; Q122-R148 VanDerWaalsContact O-CD 3.27Å; Q122-R148 WeakPolarHBondContact O-CD 3.18Å; Q122-R148 PolarHBondContact O-NH1 3.15Å |
| 123 | H | 94.9 | Very high | 96.1 | Very high | 126 Ų | 126 | 57.5 Ų | 57.5 | 58% | 0.583 | 29% | 0.294 | S | S | * | . | P | Polyproline II helix | trans | -64.5 | 152.7 | -175.7 | -70.2 | -175.6 | 0 | 0 | 0 | 112.4 | K119 S120 N128 | K119-H123 PolarHBondContact O-CD2 3.21Å; S120-H123 PolarHBondContact O-CD2 3.37Å; S120-H123 PolarHBondContact O-NE2 3.47Å; H123-N128 VanDerWaalsContact CA-OD1 3.22Å; H123-N128 WeakPolarHBondContact CA-OD1 3.3Å; H123-N128 VanDerWaalsContact CB-OD1 3.25Å; H123-N128 WeakPolarHBondContact CB-OD1 3.48Å; H123-N128 PolarHBondContact CD2-ND2 3.01Å |
| 124 | G | 90.4 | Very high | 96.1 | Very high | 22 Ų | 22 | 54.1 Ų | 54.1 | 23% | 0.227 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -93.8 | 170.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | T127 N128 | G124-T127 CarbonylContact C-O 3.59Å; G124-T127 WeakPolarHBondContact CA-O 3.5Å; G124-N128 PolarHBondContact N-OD1 3.34Å |
| 125 | T | 87.6 | Confident | 96.1 | Very high | 113 Ų | 113 | 54.2 Ų | 54.2 | 69% | 0.693 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -77 | 134.8 | 169.2 | 53.5 | 0 | 0 | 0 | 0 | 110.4 | T127 K131 | T125-T127 PolarHBondContact O-N 3.27Å; T125-K131 PolarHBondContact O-NZ 3.47Å |
| 126 | L | 90.1 | Very high | 96.1 | Very high | 192 Ų | 192 | 54.2 Ų | 54.2 | 100% | 1.005 | 28% | 0.277 | S | S | * | . | S | Bend | trans | 62.1 | -40.1 | -177.4 | -57.3 | 171.4 | 0 | 0 | 0 | 115.9 | ||
| 127 | T | 93.4 | Very high | 96.2 | Very high | 62 Ų | 62 | 51 Ų | 51 | 38% | 0.38 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -146.6 | 151.8 | 176.4 | 173.8 | 0 | 0 | 0 | 0 | 109.5 | G124 T125 N129 K131 | G124-T127 CarbonylContact C-O 3.59Å; G124-T127 WeakPolarHBondContact CA-O 3.5Å; T125-T127 PolarHBondContact O-N 3.27Å; T127-N129 VanDerWaalsContact C-N 3.25Å; T127-N129 HydrophobicContact CG2-CB 4.2Å; T127-N129 PolarHBondContact O-N 2.91Å; T127-N129 PolarHBondContact OG1-N 3.4Å; T127-K131 PolarHBondContact O-NZ 2.94Å |
| 128 | N | 95.2 | Very high | 96.2 | Very high | 57 Ų | 57 | 51 Ų | 51 | 31% | 0.305 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -75.4 | -11.2 | 177.9 | -74.9 | -15.4 | 0 | 0 | 0 | 113.8 | K119 H123 G124 I130 R148 | K119-N128 HydrophobicContact CB-CB 4.46Å; K119-N128 VanDerWaalsContact CD-O 3.29Å; K119-N128 WeakPolarHBondContact CD-O 3.4Å; K119-N128 WeakPolarHBondContact CG-O 3.46Å; H123-N128 VanDerWaalsContact CA-OD1 3.22Å; H123-N128 WeakPolarHBondContact CA-OD1 3.3Å; H123-N128 VanDerWaalsContact CB-OD1 3.25Å; H123-N128 WeakPolarHBondContact CB-OD1 3.48Å; H123-N128 PolarHBondContact CD2-ND2 3.01Å; G124-N128 PolarHBondContact N-OD1 3.34Å; N128-I130 PolarHBondContact O-N 3Å; N128-R148 PolarHBondContact O-NH1 2.92Å; N128-R148 PolarHBondContact O-NH2 2.96Å |
| 129 | N | 97.4 | Very high | 96.2 | Very high | 76 Ų | 76 | 51 Ų | 51 | 41% | 0.406 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -54.2 | 139 | 178.8 | -73.5 | -9.7 | 0 | 0 | 0 | 112.4 | N107 T127 K131 R148 | N107-N129 WeakPolarHBondContact OD1-CA 3.45Å; T127-N129 VanDerWaalsContact C-N 3.25Å; T127-N129 HydrophobicContact CG2-CB 4.2Å; T127-N129 PolarHBondContact O-N 2.91Å; T127-N129 PolarHBondContact OG1-N 3.4Å; N129-K131 PolarHBondContact O-N 3.37Å; N129-K131 PolarHBondContact O-NZ 2.96Å; N129-R148 PolarHBondContact O-NH2 2.97Å |
| 130 | I | 98.3 | Very high | 96.3 | Very high | 3 Ų | 3 | 51.1 Ų | 51.1 | 2% | 0.015 | 27% | 0.265 | C | S | . | . | trans | -59.9 | 127.4 | 165.1 | -57.2 | -48.8 | 0 | 0 | 0 | 107.2 | F75 V106 N107 Y115 K119 N128 W132 S135 F137 | F75-I130 HydrophobicContact CE1-CG2 4.37Å; F75-I130 WeakPolarHBondContact CE1-O 3.25Å; F75-I130 HydrophobicContact CE2-CG2 4.09Å; F75-I130 HydrophobicContact CZ-CB 3.86Å; F75-I130 HydrophobicContact CZ-CG2 3.57Å; V106-I130 HydrophobicContact CB-CG1 3.89Å; V106-I130 HydrophobicContact CG2-CB 3.75Å; V106-I130 HydrophobicContact CG2-CG1 3.69Å; V106-I130 HydrophobicContact CG2-CG2 4.03Å; N107-I130 PolarHBondContact ND2-O 2.65Å; N107-I130 PolarHBondContact OD1-N 2.72Å; Y115-I130 HydrophobicContact CD1-CD1 4.24Å; Y115-I130 HydrophobicContact CD1-CG1 4.1Å; Y115-I130 HydrophobicContact CE1-CD1 4.42Å; Y115-I130 HydrophobicContact CE1-CG1 4.37Å; K119-I130 HydrophobicContact CD-CD1 4.09Å; K119-I130 HydrophobicContact CD-CG1 4.16Å; K119-I130 HydrophobicContact CG-CD1 3.95Å; N128-I130 PolarHBondContact O-N 3Å; I130-W132 WeakPolarHBondContact CG2-O 3.31Å; I130-S135 WeakPolarHBondContact CG2-OG 3.36Å; I130-F137 HydrophobicContact CD1-CE2 3.59Å; I130-F137 HydrophobicContact CD1-CZ 3.68Å | ||
| 131 | K | 97.2 | Very high | 96.4 | Very high | 83 Ų | 83 | 50.2 Ų | 50.2 | 36% | 0.361 | 25% | 0.251 | S | S | . | . | trans | -85.2 | -33.5 | -169.7 | -60.3 | -59.3 | -172.8 | -62.5 | 0 | 112.7 | T125 T127 N129 P151 | T125-K131 PolarHBondContact O-NZ 3.47Å; T127-K131 PolarHBondContact O-NZ 2.94Å; N129-K131 PolarHBondContact O-N 3.37Å; N129-K131 PolarHBondContact O-NZ 2.96Å; K131-P151 HydrophobicContact CB-CG 4.36Å | ||
| 132 | W | 98.2 | Very high | 96.4 | Very high | 104 Ų | 104 | 50.5 Ų | 50.5 | 39% | 0.394 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -161.6 | -180 | -179.2 | -156.7 | -114.5 | 0 | 0 | 0 | 111.9 | N38 F75 I130 S135 P151 | N38-W132 PolarHBondContact ND2-O 3.48Å; F75-W132 HydrophobicContact CB-CD2 3.95Å; F75-W132 HydrophobicContact CB-CE3 3.75Å; F75-W132 HydrophobicContact CB-CH2 4.18Å; F75-W132 HydrophobicContact CB-CZ2 4.37Å; F75-W132 HydrophobicContact CB-CZ3 3.87Å; F75-W132 AromaticContact CD1-CE3 3.98Å; F75-W132 HydrophobicContact CD1-CE3 3.98Å; F75-W132 HydrophobicContact CD1-CZ3 4.49Å; F75-W132 HydrophobicContact CG-CE3 4.25Å; I130-W132 WeakPolarHBondContact CG2-O 3.31Å; W132-S135 PolarHBondContact O-OG 3.09Å; W132-P151 HydrophobicContact CB-CB 3.85Å; W132-P151 HydrophobicContact CB-CG 3.55Å |
| 133 | N | 98.6 | Very high | 96.5 | Very high | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | 145.6 | 167 | -63.8 | -42.5 | 0 | 0 | 0 | 111.3 | N38 A40 U43 F75 Q78 P151 | N38-N133 WeakPolarHBondContact ND2-CA 3.3Å; A40-N133 HydrophobicContact CB-CB 3.92Å; A40-N133 WeakPolarHBondContact CB-ND2 3.45Å; A40-N133 WeakPolarHBondContact CB-OD1 3.34Å; C43-N133 HydrophobicContact CB-CB 4.49Å; F75-N133 WeakPolarHBondContact CD2-OD1 3.4Å; F75-N133 PolarHBondContact O-ND2 3.15Å; Q78-N133 PolarHBondContact OE1-ND2 2.92Å; N133-P151 WeakPolarHBondContact O-CB 3.42Å |
| 134 | F | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.3 | 37.8 | 179.3 | -52.3 | -79.7 | 0 | 0 | 0 | 114.6 | V37 N38 V39 A40 U43 A45 T46 N49 Y50 K136 P151 | V37-F134 HydrophobicContact CG1-CD1 4.14Å; N38-F134 WeakPolarHBondContact O-CA 3.37Å; N38-F134 PolarHBondContact O-N 2.85Å; V39-F134 HydrophobicContact CB-CD1 4.48Å; V39-F134 HydrophobicContact CB-CE1 3.92Å; V39-F134 HydrophobicContact CB-CZ 4.45Å; V39-F134 HydrophobicContact CG1-CD1 4.08Å; V39-F134 HydrophobicContact CG1-CE1 3.81Å; A40-F134 HydrophobicContact CB-CE2 4.48Å; A40-F134 VanDerWaalsContact O-CZ 3.28Å; A40-F134 WeakPolarHBondContact O-CZ 3.46Å; C43-F134 HydrophobicContact CB-CE2 3.96Å; A45-F134 HydrophobicContact CB-CD2 3.95Å; A45-F134 HydrophobicContact CB-CE2 4.28Å; T46-F134 HydrophobicContact CG2-CZ 4.46Å; N49-F134 HydrophobicContact CB-CB 4.48Å; N49-F134 HydrophobicContact CB-CD1 3.41Å; N49-F134 VanDerWaalsContact CB-CD1 3.41Å; N49-F134 HydrophobicContact CB-CD2 4.49Å; N49-F134 HydrophobicContact CB-CE1 3.63Å; N49-F134 HydrophobicContact CB-CG 3.89Å; N49-F134 HydrophobicContact CB-CZ 4.27Å; Y50-F134 HydrophobicContact CD2-CE1 4.15Å; Y50-F134 HydrophobicContact CD2-CZ 4.2Å; Y50-F134 AromaticContact CE2-CE1 3.95Å; Y50-F134 HydrophobicContact CE2-CE1 3.95Å; Y50-F134 AromaticContact CE2-CZ 3.93Å; Y50-F134 HydrophobicContact CE2-CZ 3.93Å; F134-K136 WeakPolarHBondContact O-CD 3.49Å; F134-K136 WeakPolarHBondContact O-CE 3.41Å; F134-K136 PolarHBondContact O-NZ 3.09Å; F134-P151 WeakPolarHBondContact O-CA 3.48Å |
| 135 | S | 98.7 | Very high | 97.1 | Very high | 2 Ų | 2 | 43.6 Ų | 43.6 | 1% | 0.014 | 22% | 0.219 | C | C | . | . | trans | -73.8 | 148.7 | 158.6 | -55 | 0 | 0 | 0 | 0 | 109 | V37 N38 I130 W132 P151 | V37-S135 WeakPolarHBondContact CA-O 3.41Å; N38-S135 PolarHBondContact N-O 2.75Å; N38-S135 WeakPolarHBondContact OD1-CA 3.49Å; N38-S135 VanDerWaalsContact OD1-CB 3.25Å; N38-S135 WeakPolarHBondContact OD1-CB 3.41Å; N38-S135 PolarHBondContact OD1-N 2.89Å; N38-S135 PolarHBondContact OD1-O 3.03Å; I130-S135 WeakPolarHBondContact CG2-OG 3.36Å; W132-S135 PolarHBondContact O-OG 3.09Å; S135-P151 WeakPolarHBondContact OG-CG 3.39Å | ||
| 136 | K | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 144.6 | -176.5 | -56.6 | 90.8 | -178.8 | 174.8 | 0 | 111.3 | L35 I36 V37 N49 F134 R148 Y149 P151 T153 I158 | L35-K136 HydrophobicContact CD1-CB 3.96Å; L35-K136 HydrophobicContact CD1-CG 4.47Å; I36-K136 CarbonylContact O-C 3.59Å; I36-K136 WeakPolarHBondContact O-CA 3.29Å; V37-K136 HydrophobicContact CB-CG 4.43Å; V37-K136 HydrophobicContact CG1-CG 4.07Å; V37-K136 HydrophobicContact CG2-CB 4.39Å; V37-K136 HydrophobicContact CG2-CG 3.77Å; N49-K136 VanDerWaalsContact OD1-CE 3.3Å; N49-K136 WeakPolarHBondContact OD1-CE 3.35Å; N49-K136 PolarHBondContact OD1-NZ 3.48Å; F134-K136 WeakPolarHBondContact O-CD 3.49Å; F134-K136 WeakPolarHBondContact O-CE 3.41Å; F134-K136 PolarHBondContact O-NZ 3.09Å; K136-R148 CarbonylContact O-C 3.52Å; K136-R148 WeakPolarHBondContact O-CA 3.42Å; K136-Y149 HydrophobicContact CB-CD2 3.93Å; K136-Y149 PolarHBondContact N-O 3.43Å; K136-Y149 PolarHBondContact O-N 2.89Å; K136-P151 PolarHBondContact NZ-O 3.26Å; K136-T153 PolarHBondContact NZ-O 3.38Å; K136-I158 HydrophobicContact CB-CD1 4.01Å; K136-I158 HydrophobicContact CD-CD1 3.93Å; K136-I158 HydrophobicContact CG-CD1 3.97Å |
| 137 | F | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 132 | 166.9 | -65.6 | -96.8 | 0 | 0 | 0 | 108.9 | I36 Y115 L118 K119 Q122 I130 K147 R148 | I36-F137 HydrophobicContact CB-CB 4.48Å; I36-F137 PolarHBondContact N-O 2.85Å; I36-F137 PolarHBondContact O-N 3.29Å; Y115-F137 HydrophobicContact CE1-CE2 4.32Å; L118-F137 HydrophobicContact CB-CD1 3.88Å; L118-F137 HydrophobicContact CB-CD2 4.23Å; L118-F137 HydrophobicContact CB-CE1 3.85Å; L118-F137 HydrophobicContact CB-CE2 4.22Å; L118-F137 HydrophobicContact CB-CG 4.06Å; L118-F137 HydrophobicContact CB-CZ 4.03Å; L118-F137 HydrophobicContact CD1-CB 4.39Å; L118-F137 HydrophobicContact CD1-CD2 4.02Å; L118-F137 HydrophobicContact CD1-CG 4.18Å; L118-F137 HydrophobicContact CD2-CB 4.15Å; L118-F137 HydrophobicContact CD2-CD1 4.45Å; L118-F137 HydrophobicContact CD2-CG 4.29Å; L118-F137 HydrophobicContact CG-CG 4.41Å; L118-F137 WeakPolarHBondContact O-CE1 3.35Å; K119-F137 HydrophobicContact CG-CZ 4.25Å; Q122-F137 HydrophobicContact CB-CD1 3.91Å; Q122-F137 HydrophobicContact CB-CE1 3.85Å; Q122-F137 HydrophobicContact CG-CD1 4.43Å; I130-F137 HydrophobicContact CD1-CE2 3.59Å; I130-F137 HydrophobicContact CD1-CZ 3.68Å; F137-K147 WeakPolarHBondContact CA-O 3.2Å; F137-R148 HydrophobicContact CD1-CB 3.9Å; F137-R148 HydrophobicContact CD1-CG 4.08Å; F137-R148 HydrophobicContact CE1-CB 3.87Å; F137-R148 HydrophobicContact CE1-CG 3.69Å; F137-R148 HydrophobicContact CZ-CG 3.98Å |
| 138 | L | 98.8 | Very high | 98.2 | Very high | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.01 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 132.2 | 171.2 | -176.5 | 63.7 | 0 | 0 | 0 | 108.8 | V33 V146 K147 Y149 D161 I162 L165 | V33-L138 HydrophobicContact CG1-CD1 3.6Å; L138-V146 HydrophobicContact CB-CG2 4.38Å; L138-V146 HydrophobicContact CD2-CG2 4.43Å; L138-V146 HydrophobicContact CG-CG2 4.15Å; L138-V146 WeakPolarHBondContact O-CG2 3.31Å; L138-V146 PolarHBondContact O-N 3.22Å; L138-K147 HydrophobicContact CB-CB 4.32Å; L138-K147 PolarHBondContact N-O 3.47Å; L138-K147 PolarHBondContact O-N 3.26Å; L138-Y149 HydrophobicContact CB-CE2 3.8Å; L138-Y149 WeakPolarHBondContact CD2-OH 3.32Å; L138-D161 HydrophobicContact CD2-CB 3.7Å; L138-I162 HydrophobicContact CD1-CG1 3.63Å; L138-I162 HydrophobicContact CD2-CG1 4.38Å; L138-L165 HydrophobicContact CD1-CD1 4.06Å; L138-L165 HydrophobicContact CD2-CD1 3.49Å; L138-L165 VanDerWaalsContact CD2-CD1 3.49Å; L138-L165 HydrophobicContact CD2-CG 4.36Å; L138-L165 HydrophobicContact CG-CD1 3.52Å |
| 139 | V | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 131.9 | -177.9 | -177.5 | 0 | 0 | 0 | 0 | 108.6 | I11 V33 C34 I36 L118 Q144 | I11-V139 HydrophobicContact CD1-CB 4.44Å; I11-V139 HydrophobicContact CD1-CG1 3.8Å; I11-V139 HydrophobicContact CG1-CG1 3.94Å; I11-V139 HydrophobicContact CG2-CG1 4.08Å; I11-V139 HydrophobicContact CG2-CG2 4.16Å; V33-V139 WeakPolarHBondContact CA-O 3.16Å; C34-V139 HydrophobicContact CB-CB 4.06Å; C34-V139 PolarHBondContact N-O 2.96Å; C34-V139 PolarHBondContact O-N 3.22Å; I36-V139 HydrophobicContact CD1-CG2 3.86Å; I36-V139 HydrophobicContact CG1-CG2 4.41Å; L118-V139 HydrophobicContact CD2-CG2 4.27Å; V139-Q144 VanDerWaalsContact CA-O 3.25Å; V139-Q144 WeakPolarHBondContact CA-O 3.5Å; V139-Q144 WeakPolarHBondContact CG1-O 3.44Å |
| 140 | D | 98.6 | Very high | 98.4 | Very high | 24 Ų | 24 | 31.9 Ų | 31.9 | 13% | 0.128 | 15% | 0.149 | C | C | . | . | trans | -76.6 | 178.2 | 179.6 | 68.1 | 18.9 | 0 | 0 | 0 | 113.4 | Q142 G143 Q144 V146 L165 | D140-Q142 PolarHBondContact O-N 3.35Å; D140-Q142 VanDerWaalsContact O-N 3.15Å; D140-Q142 VanDerWaalsContact OD1-C 3.29Å; D140-Q142 WeakPolarHBondContact OD1-CA 3.31Å; D140-Q142 WeakPolarHBondContact OD1-CB 3.42Å; D140-Q142 PolarHBondContact OD1-N 3.33Å; D140-G143 PolarHBondContact O-N 2.98Å; D140-G143 PolarHBondContact OD1-N 3.31Å; D140-Q144 PolarHBondContact N-O 2.92Å; D140-Q144 WeakPolarHBondContact OD1-CB 3.37Å; D140-Q144 PolarHBondContact OD1-N 3.49Å; D140-Q144 WeakPolarHBondContact OD2-CB 3.36Å; D140-V146 HydrophobicContact CB-CG1 4.04Å; D140-V146 WeakPolarHBondContact OD2-CG1 3.46Å; D140-L165 HydrophobicContact CB-CD1 4.31Å; D140-L165 HydrophobicContact CB-CD2 4.32Å | ||
| 141 | R | 98 | Very high | 98.3 | Very high | 45 Ų | 45 | 33 Ų | 33 | 17% | 0.17 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -15.3 | -179.8 | -62.4 | -172.4 | -178.3 | -84.3 | 5.1 | 113.3 | Y12 G31 V33 K63 L166 K168 | Y12-R141 VanDerWaalsContact OH-C 3.23Å; Y12-R141 PolarHBondContact OH-O 2.74Å; G31-R141 WeakPolarHBondContact CA-O 3.45Å; G31-R141 PolarHBondContact N-O 3.43Å; G31-R141 WeakPolarHBondContact O-CD 3.36Å; G31-R141 WeakPolarHBondContact O-CG 3.21Å; G31-R141 PolarHBondContact O-NH1 3.17Å; V33-R141 HydrophobicContact CG2-CG 3.99Å; K63-R141 PolarHBondContact O-NH2 3.36Å; R141-L166 PolarHBondContact NH2-O 3.06Å; R141-K168 WeakPolarHBondContact CD-O 3.31Å; R141-K168 PolarHBondContact NE-O 3.18Å |
| 142 | Q | 97.8 | Very high | 98.3 | Very high | 102 Ų | 102 | 34.9 Ų | 34.9 | 48% | 0.477 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | 8.3 | 177.1 | -64.1 | 73.7 | 24.4 | 0 | 0 | 112 | Y12 D140 Q144 | Y12-Q142 VanDerWaalsContact CE2-C 3.42Å; D140-Q142 PolarHBondContact O-N 3.35Å; D140-Q142 VanDerWaalsContact O-N 3.15Å; D140-Q142 VanDerWaalsContact OD1-C 3.29Å; D140-Q142 WeakPolarHBondContact OD1-CA 3.31Å; D140-Q142 WeakPolarHBondContact OD1-CB 3.42Å; D140-Q142 PolarHBondContact OD1-N 3.33Å; Q142-Q144 VanDerWaalsContact C-N 3.27Å; Q142-Q144 HydrophobicContact CB-CG 4.22Å; Q142-Q144 PolarHBondContact O-N 3.25Å; Q142-Q144 PolarHBondContact O-NE2 2.91Å; Q142-Q144 VanDerWaalsContact O-NE2 3.1Å |
| 143 | G | 98.4 | Very high | 98.3 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.166 | C | C | . | . | S | Bend | trans | 74.6 | 18.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113 | S10 I11 Y12 D140 | S10-G143 CarbonylContact C-O 3.56Å; S10-G143 WeakPolarHBondContact CA-O 3.2Å; S10-G143 WeakPolarHBondContact CB-O 3.43Å; I11-G143 PolarHBondContact N-O 2.95Å; Y12-G143 VanDerWaalsContact CZ-N 3.34Å; Y12-G143 PolarHBondContact OH-N 3.48Å; Y12-G143 VanDerWaalsContact OH-N 3.15Å; D140-G143 PolarHBondContact O-N 2.98Å; D140-G143 PolarHBondContact OD1-N 3.31Å |
| 144 | Q | 98.4 | Very high | 98.3 | Very high | 46 Ų | 46 | 31.7 Ų | 31.7 | 22% | 0.215 | 17% | 0.167 | C | C | . | . | trans | -94.2 | 128 | -179.3 | -51.8 | -57.8 | -57.2 | 0 | 0 | 110.3 | N9 R121 V139 D140 Q142 V146 | N9-Q144 VanDerWaalsContact O-CD 3.28Å; N9-Q144 PolarHBondContact O-NE2 3.02Å; N9-Q144 PolarHBondContact O-OE1 3.29Å; R121-Q144 VanDerWaalsContact CZ-OE1 3.3Å; V139-Q144 VanDerWaalsContact CA-O 3.25Å; V139-Q144 WeakPolarHBondContact CA-O 3.5Å; V139-Q144 WeakPolarHBondContact CG1-O 3.44Å; D140-Q144 PolarHBondContact N-O 2.92Å; D140-Q144 WeakPolarHBondContact OD1-CB 3.37Å; D140-Q144 PolarHBondContact OD1-N 3.49Å; D140-Q144 WeakPolarHBondContact OD2-CB 3.36Å; Q142-Q144 VanDerWaalsContact C-N 3.27Å; Q142-Q144 HydrophobicContact CB-CG 4.22Å; Q142-Q144 PolarHBondContact O-N 3.25Å; Q142-Q144 PolarHBondContact O-NE2 2.91Å; Q142-Q144 VanDerWaalsContact O-NE2 3.1Å; Q144-V146 PolarHBondContact O-N 3.37Å | ||
| 145 | P | 98.5 | Very high | 98.3 | Very high | 4 Ų | 4 | 31.7 Ų | 31.7 | 3% | 0.026 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 116.9 | 170.9 | -19 | 34.1 | 0 | 0 | 0 | 109.3 | I11 F117 L118 R121 Q122 | I11-P145 HydrophobicContact CG2-CG 4.4Å; F117-P145 HydrophobicContact CD1-CG 4.2Å; F117-P145 HydrophobicContact CE1-CG 3.6Å; F117-P145 HydrophobicContact CZ-CG 4.17Å; L118-P145 HydrophobicContact CD2-CB 3.93Å; L118-P145 HydrophobicContact CD2-CG 3.57Å; R121-P145 HydrophobicContact CB-CB 3.96Å; R121-P145 HydrophobicContact CB-CG 3.9Å; R121-P145 HydrophobicContact CG-CG 4.15Å; Q122-P145 HydrophobicContact CG-CB 3.79Å; Q122-P145 PolarHBondContact NE2-O 3.27Å |
| 146 | V | 98.3 | Very high | 98.3 | Very high | 58 Ų | 58 | 36 Ų | 36 | 35% | 0.352 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | -22.8 | -173.9 | -66.5 | 0 | 0 | 0 | 0 | 113.8 | Q122 L138 D140 Q144 L165 | Q122-V146 VanDerWaalsContact CD-C 3.49Å; Q122-V146 PolarHBondContact NE2-O 2.84Å; Q122-V146 VanDerWaalsContact NE2-O 3.16Å; L138-V146 HydrophobicContact CB-CG2 4.38Å; L138-V146 HydrophobicContact CD2-CG2 4.43Å; L138-V146 HydrophobicContact CG-CG2 4.15Å; L138-V146 WeakPolarHBondContact O-CG2 3.31Å; L138-V146 PolarHBondContact O-N 3.22Å; D140-V146 HydrophobicContact CB-CG1 4.04Å; D140-V146 WeakPolarHBondContact OD2-CG1 3.46Å; Q144-V146 PolarHBondContact O-N 3.37Å; V146-L165 HydrophobicContact CG2-CD1 3.67Å |
| 147 | K | 98.4 | Very high | 98.3 | Very high | 83 Ų | 83 | 41.2 Ų | 41.2 | 36% | 0.361 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 150.1 | 178.6 | -156.6 | 156.7 | 172.9 | -168.1 | 0 | 111.8 | F137 L138 Y149 D161 | F137-K147 WeakPolarHBondContact CA-O 3.2Å; L138-K147 HydrophobicContact CB-CB 4.32Å; L138-K147 PolarHBondContact N-O 3.47Å; L138-K147 PolarHBondContact O-N 3.26Å; K147-Y149 HydrophobicContact CB-CE2 4.02Å; K147-Y149 HydrophobicContact CD-CE1 3.89Å; K147-Y149 VanDerWaalsContact CD-OH 3.3Å; K147-Y149 WeakPolarHBondContact CD-OH 3.08Å; K147-Y149 HydrophobicContact CG-CE1 3.91Å; K147-Y149 HydrophobicContact CG-CE2 4.12Å; K147-D161 WeakPolarHBondContact CE-OD2 3.14Å; K147-D161 IonicContact NZ-OD1 3.32Å; K147-D161 PolarHBondContact NZ-OD1 3.34Å; K147-D161 IonicContact NZ-OD2 3.46Å; K147-D161 PolarHBondContact NZ-OD2 2.85Å |
| 148 | R | 98.6 | Very high | 98.3 | Very high | 44 Ų | 44 | 41.2 Ų | 41.2 | 17% | 0.166 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 136 | 175.3 | 174.2 | -178 | -176.9 | 166.2 | -3.1 | 110.2 | Q122 N128 N129 K136 F137 | Q122-R148 HydrophobicContact CB-CB 3.79Å; Q122-R148 VanDerWaalsContact O-CD 3.27Å; Q122-R148 WeakPolarHBondContact O-CD 3.18Å; Q122-R148 PolarHBondContact O-NH1 3.15Å; N128-R148 PolarHBondContact O-NH1 2.92Å; N128-R148 PolarHBondContact O-NH2 2.96Å; N129-R148 PolarHBondContact O-NH2 2.97Å; K136-R148 CarbonylContact O-C 3.52Å; K136-R148 WeakPolarHBondContact O-CA 3.42Å; F137-R148 HydrophobicContact CD1-CB 3.9Å; F137-R148 HydrophobicContact CD1-CG 4.08Å; F137-R148 HydrophobicContact CE1-CB 3.87Å; F137-R148 HydrophobicContact CE1-CG 3.69Å; F137-R148 HydrophobicContact CZ-CG 3.98Å |
| 149 | Y | 98.5 | Very high | 98.3 | Very high | 17 Ų | 17 | 43.3 Ų | 43.3 | 7% | 0.067 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 144.7 | -177.6 | -48.3 | -92.7 | 0 | 0 | 0 | 111 | K136 L138 K147 T153 I158 D161 | K136-Y149 HydrophobicContact CB-CD2 3.93Å; K136-Y149 PolarHBondContact N-O 3.43Å; K136-Y149 PolarHBondContact O-N 2.89Å; L138-Y149 HydrophobicContact CB-CE2 3.8Å; L138-Y149 WeakPolarHBondContact CD2-OH 3.32Å; K147-Y149 HydrophobicContact CB-CE2 4.02Å; K147-Y149 HydrophobicContact CD-CE1 3.89Å; K147-Y149 VanDerWaalsContact CD-OH 3.3Å; K147-Y149 WeakPolarHBondContact CD-OH 3.08Å; K147-Y149 HydrophobicContact CG-CE1 3.91Å; K147-Y149 HydrophobicContact CG-CE2 4.12Å; Y149-T153 HydrophobicContact CD1-CG2 4.04Å; Y149-T153 HydrophobicContact CG-CG2 4.4Å; Y149-I158 HydrophobicContact CD1-CD1 4.12Å; Y149-I158 HydrophobicContact CD1-CG1 3.76Å; Y149-I158 HydrophobicContact CD2-CD1 3.77Å; Y149-I158 HydrophobicContact CD2-CG1 4.17Å; Y149-I158 HydrophobicContact CD2-CG2 4.27Å; Y149-I158 HydrophobicContact CE1-CB 4.36Å; Y149-I158 HydrophobicContact CE1-CG1 3.88Å; Y149-I158 HydrophobicContact CE1-CG2 3.95Å; Y149-I158 HydrophobicContact CE2-CD1 4.23Å; Y149-I158 HydrophobicContact CE2-CG1 4.3Å; Y149-I158 HydrophobicContact CE2-CG2 3.64Å; Y149-I158 HydrophobicContact CG-CD1 3.7Å; Y149-I158 HydrophobicContact CG-CG1 3.89Å; Y149-I158 VanDerWaalsContact CZ-CG2 3.42Å; Y149-I158 WeakPolarHBondContact OH-CG2 3.45Å; Y149-D161 WeakPolarHBondContact CE1-OD2 3.4Å; Y149-D161 WeakPolarHBondContact OH-CB 3.42Å; Y149-D161 PolarHBondContact OH-OD2 3.45Å |
| 150 | S | 97.5 | Very high | 98.2 | Very high | 52 Ų | 52 | 46 Ų | 46 | 36% | 0.364 | 25% | 0.248 | S | C | . | . | trans | -67.4 | 158.5 | 178.8 | 75.3 | 0 | 0 | 0 | 0 | 111.7 | T152 T153 | S150-T152 PolarHBondContact O-N 2.84Å; S150-T152 VanDerWaalsContact O-N 3.12Å; S150-T152 PolarHBondContact OG-OG1 3.01Å; S150-T152 VanDerWaalsContact OG-OG1 3.05Å; S150-T153 WeakPolarHBondContact O-CB 3.38Å; S150-T153 PolarHBondContact O-N 2.76Å; S150-T153 VanDerWaalsContact O-N 3.14Å; S150-T153 PolarHBondContact OG-N 3.03Å; S150-T153 PolarHBondContact OG-OG1 2.87Å | ||
| 151 | P | 97.5 | Very high | 98.2 | Very high | 26 Ų | 26 | 46.6 Ų | 46.6 | 17% | 0.169 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -47.8 | -36.1 | 171.7 | -33.3 | 38.4 | 0 | 0 | 0 | 115.2 | K131 W132 N133 F134 S135 K136 | K131-P151 HydrophobicContact CB-CG 4.36Å; W132-P151 HydrophobicContact CB-CB 3.85Å; W132-P151 HydrophobicContact CB-CG 3.55Å; N133-P151 WeakPolarHBondContact O-CB 3.42Å; F134-P151 WeakPolarHBondContact O-CA 3.48Å; S135-P151 WeakPolarHBondContact OG-CG 3.39Å; K136-P151 PolarHBondContact NZ-O 3.26Å |
| 152 | T | 97.1 | Very high | 98.3 | Very high | 122 Ų | 122 | 44.5 Ų | 44.5 | 75% | 0.748 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -16 | -174.5 | 50.5 | 0 | 0 | 0 | 0 | 113.6 | S150 A154 | S150-T152 PolarHBondContact O-N 2.84Å; S150-T152 VanDerWaalsContact O-N 3.12Å; S150-T152 PolarHBondContact OG-OG1 3.01Å; S150-T152 VanDerWaalsContact OG-OG1 3.05Å; T152-A154 PolarHBondContact O-N 3.45Å |
| 153 | T | 98.3 | Very high | 98.3 | Very high | 34 Ų | 34 | 42.2 Ų | 42.2 | 21% | 0.209 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -65.8 | 121.2 | 173.6 | -53.7 | 0 | 0 | 0 | 0 | 109.2 | K136 Y149 S150 D157 I158 | K136-T153 PolarHBondContact NZ-O 3.38Å; Y149-T153 HydrophobicContact CD1-CG2 4.04Å; Y149-T153 HydrophobicContact CG-CG2 4.4Å; S150-T153 WeakPolarHBondContact O-CB 3.38Å; S150-T153 PolarHBondContact O-N 2.76Å; S150-T153 VanDerWaalsContact O-N 3.14Å; S150-T153 PolarHBondContact OG-N 3.03Å; S150-T153 PolarHBondContact OG-OG1 2.87Å; T153-D157 HydrophobicContact CG2-CB 3.99Å; T153-I158 HydrophobicContact CG2-CD1 4.31Å; T153-I158 HydrophobicContact CG2-CG1 3.94Å |
| 154 | A | 98.5 | Very high | 98.2 | Very high | 4 Ų | 4 | 47.1 Ų | 47.1 | 3% | 0.033 | 26% | 0.257 | C | S | . | . | trans | -71.5 | 147.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | T152 Y156 D157 | T152-A154 PolarHBondContact O-N 3.45Å; A154-Y156 PolarHBondContact O-N 3.45Å; A154-D157 VanDerWaalsContact CB-OD2 3.23Å; A154-D157 WeakPolarHBondContact CB-OD2 3.34Å; A154-D157 PolarHBondContact N-OD2 3.04Å; A154-D157 WeakPolarHBondContact O-CB 3.26Å; A154-D157 PolarHBondContact O-N 3.48Å | ||
| 155 | P | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -50.4 | -41 | 172.6 | -29.8 | 34.4 | 0 | 0 | 0 | 113.9 | N49 Q52 L53 M56 D157 I158 | N49-P155 HydrophobicContact CB-CG 4.49Å; Q52-P155 HydrophobicContact CB-CB 3.8Å; Q52-P155 HydrophobicContact CB-CG 3.96Å; Q52-P155 VanDerWaalsContact OE1-CD 3.25Å; L53-P155 HydrophobicContact CD2-CB 3.92Å; L53-P155 HydrophobicContact CD2-CG 3.97Å; L53-P155 HydrophobicContact CG-CB 4.12Å; L53-P155 HydrophobicContact CG-CG 3.8Å; M56-P155 HydrophobicContact SD-CB 3.69Å; P155-D157 VanDerWaalsContact C-N 3.28Å; P155-D157 PolarHBondContact O-N 2.64Å; P155-I158 WeakPolarHBondContact O-CB 3.31Å; P155-I158 PolarHBondContact O-N 3.08Å |
| 156 | Y | 98.6 | Very high | 98.2 | Very high | 94 Ų | 94 | 46.4 Ų | 46.4 | 37% | 0.369 | 25% | 0.254 | S | S | . | . | G | 310 helix | trans | -62.9 | -30.7 | 176.5 | -69.4 | -25.1 | 0 | 0 | 0 | 114.4 | Q52 E55 M56 A154 I158 E159 | Q52-Y156 HydrophobicContact CB-CD1 4.08Å; Q52-Y156 HydrophobicContact CB-CD2 4.39Å; Q52-Y156 HydrophobicContact CB-CE1 3.9Å; Q52-Y156 HydrophobicContact CB-CE2 4.23Å; Q52-Y156 HydrophobicContact CB-CG 4.32Å; Q52-Y156 HydrophobicContact CG-CD1 4.32Å; Q52-Y156 HydrophobicContact CG-CD2 3.73Å; Q52-Y156 HydrophobicContact CG-CE1 4.14Å; Q52-Y156 HydrophobicContact CG-CE2 3.53Å; Q52-Y156 HydrophobicContact CG-CG 4.12Å; E55-Y156 WeakPolarHBondContact CB-OH 3.36Å; E55-Y156 VanDerWaalsContact CG-OH 3.29Å; E55-Y156 WeakPolarHBondContact CG-OH 3.25Å; E55-Y156 WeakPolarHBondContact OE2-CE1 3.44Å; E55-Y156 PolarHBondContact OE2-OH 2.86Å; E55-Y156 VanDerWaalsContact OE2-OH 3.04Å; M56-Y156 HydrophobicContact CG-CD1 3.76Å; M56-Y156 HydrophobicContact CG-CE1 3.73Å; M56-Y156 HydrophobicContact SD-CD1 3.88Å; M56-Y156 HydrophobicContact SD-CE1 4.38Å; A154-Y156 PolarHBondContact O-N 3.45Å; Y156-I158 PolarHBondContact O-N 3.24Å; Y156-I158 VanDerWaalsContact O-N 3.13Å; Y156-E159 WeakPolarHBondContact O-CB 3.49Å; Y156-E159 PolarHBondContact O-N 3.25Å; Y156-E159 VanDerWaalsContact O-N 3.12Å |
| 157 | D | 98.5 | Very high | 98.1 | Very high | 109 Ų | 109 | 50.8 Ų | 50.8 | 58% | 0.583 | 27% | 0.271 | S | S | * | . | G | 310 helix | trans | -68.3 | -13 | 177.3 | -51.9 | -26.9 | 0 | 0 | 0 | 111.8 | T153 A154 P155 | T153-D157 HydrophobicContact CG2-CB 3.99Å; A154-D157 VanDerWaalsContact CB-OD2 3.23Å; A154-D157 WeakPolarHBondContact CB-OD2 3.34Å; A154-D157 PolarHBondContact N-OD2 3.04Å; A154-D157 WeakPolarHBondContact O-CB 3.26Å; A154-D157 PolarHBondContact O-N 3.48Å; P155-D157 VanDerWaalsContact C-N 3.28Å; P155-D157 PolarHBondContact O-N 2.64Å |
| 158 | I | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -95.4 | -10 | 179.8 | -52.6 | 170.4 | 0 | 0 | 0 | 111.2 | L35 K136 Y149 T153 P155 Y156 G160 D161 I162 | L35-I158 HydrophobicContact CD1-CD1 4.42Å; L35-I158 HydrophobicContact CD1-CG2 4.23Å; K136-I158 HydrophobicContact CB-CD1 4.01Å; K136-I158 HydrophobicContact CD-CD1 3.93Å; K136-I158 HydrophobicContact CG-CD1 3.97Å; Y149-I158 HydrophobicContact CD1-CD1 4.12Å; Y149-I158 HydrophobicContact CD1-CG1 3.76Å; Y149-I158 HydrophobicContact CD2-CD1 3.77Å; Y149-I158 HydrophobicContact CD2-CG1 4.17Å; Y149-I158 HydrophobicContact CD2-CG2 4.27Å; Y149-I158 HydrophobicContact CE1-CB 4.36Å; Y149-I158 HydrophobicContact CE1-CG1 3.88Å; Y149-I158 HydrophobicContact CE1-CG2 3.95Å; Y149-I158 HydrophobicContact CE2-CD1 4.23Å; Y149-I158 HydrophobicContact CE2-CG1 4.3Å; Y149-I158 HydrophobicContact CE2-CG2 3.64Å; Y149-I158 HydrophobicContact CG-CD1 3.7Å; Y149-I158 HydrophobicContact CG-CG1 3.89Å; Y149-I158 VanDerWaalsContact CZ-CG2 3.42Å; Y149-I158 WeakPolarHBondContact OH-CG2 3.45Å; T153-I158 HydrophobicContact CG2-CD1 4.31Å; T153-I158 HydrophobicContact CG2-CG1 3.94Å; P155-I158 WeakPolarHBondContact O-CB 3.31Å; P155-I158 PolarHBondContact O-N 3.08Å; Y156-I158 PolarHBondContact O-N 3.24Å; Y156-I158 VanDerWaalsContact O-N 3.13Å; I158-G160 VanDerWaalsContact C-N 3.32Å; I158-G160 PolarHBondContact O-N 2.89Å; I158-D161 PolarHBondContact O-N 2.84Å; I158-I162 HydrophobicContact CB-CD1 4.49Å; I158-I162 HydrophobicContact CG2-CD1 3.93Å; I158-I162 HydrophobicContact CG2-CG1 4.17Å; I158-I162 PolarHBondContact O-N 3.38Å |
| 159 | E | 97.8 | Very high | 96.3 | Very high | 46 Ų | 46 | 61.4 Ų | 61.4 | 22% | 0.215 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61 | -38.4 | -172.5 | -175 | 165.6 | 162.9 | 0 | 0 | 113 | M56 R59 L60 Y156 D161 I162 M163 | M56-E159 HydrophobicContact CE-CB 4.06Å; M56-E159 HydrophobicContact CE-CG 4.47Å; R59-E159 IonicContact CZ-OE1 3.49Å; R59-E159 IonicContact CZ-OE2 2.78Å; R59-E159 IonicContact NH1-OE1 2.64Å; R59-E159 PolarHBondContact NH1-OE1 2.84Å; R59-E159 IonicContact NH1-OE2 2.91Å; R59-E159 IonicContact NH2-OE1 2.66Å; R59-E159 PolarHBondContact NH2-OE1 2.97Å; R59-E159 VanDerWaalsContact NH2-OE1 3.15Å; R59-E159 IonicContact NH2-OE2 3.69Å; R59-E159 PolarHBondContact NH2-OE2 2.83Å; L60-E159 HydrophobicContact CD1-CG 4.41Å; Y156-E159 WeakPolarHBondContact O-CB 3.49Å; Y156-E159 PolarHBondContact O-N 3.25Å; Y156-E159 VanDerWaalsContact O-N 3.12Å; E159-D161 PolarHBondContact O-N 2.92Å; E159-I162 PolarHBondContact O-N 3.09Å; E159-M163 HydrophobicContact CG-CG 4.2Å; E159-M163 WeakPolarHBondContact O-CB 3.33Å; E159-M163 VanDerWaalsContact O-CG 3.3Å; E159-M163 WeakPolarHBondContact O-CG 3.03Å; E159-M163 PolarHBondContact O-N 3.43Å |
| 160 | G | 98.1 | Very high | 96.1 | Very high | 55 Ų | 55 | 63.7 Ų | 63.7 | 57% | 0.567 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -58.7 | -46.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | I158 I162 M163 E164 | I158-G160 VanDerWaalsContact C-N 3.32Å; I158-G160 PolarHBondContact O-N 2.89Å; G160-I162 VanDerWaalsContact C-N 3.33Å; G160-I162 PolarHBondContact O-N 3.41Å; G160-M163 PolarHBondContact O-N 3.2Å; G160-E164 PolarHBondContact O-N 2.95Å |
| 161 | D | 98.6 | Very high | 96.1 | Very high | 38 Ų | 38 | 64.3 Ų | 64.3 | 20% | 0.203 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -65.6 | -37.4 | 177.4 | -63 | -51.6 | 0 | 0 | 0 | 111.6 | L138 K147 Y149 I158 E159 L165 | L138-D161 HydrophobicContact CD2-CB 3.7Å; K147-D161 WeakPolarHBondContact CE-OD2 3.14Å; K147-D161 IonicContact NZ-OD1 3.32Å; K147-D161 PolarHBondContact NZ-OD1 3.34Å; K147-D161 IonicContact NZ-OD2 3.46Å; K147-D161 PolarHBondContact NZ-OD2 2.85Å; Y149-D161 WeakPolarHBondContact CE1-OD2 3.4Å; Y149-D161 WeakPolarHBondContact OH-CB 3.42Å; Y149-D161 PolarHBondContact OH-OD2 3.45Å; I158-D161 PolarHBondContact O-N 2.84Å; E159-D161 PolarHBondContact O-N 2.92Å; D161-L165 WeakPolarHBondContact O-CG 3.18Å; D161-L165 PolarHBondContact O-N 2.87Å |
| 162 | I | 98.7 | Very high | 96 | Very high | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63.2 | -47.4 | 175.1 | -77.1 | 161.3 | 0 | 0 | 0 | 110.4 | L35 M56 L60 L65 L138 I158 E159 G160 E164 L165 L166 | L35-I162 HydrophobicContact CD2-CD1 4.31Å; M56-I162 HydrophobicContact CE-CD1 3.44Å; M56-I162 VanDerWaalsContact CE-CD1 3.44Å; L60-I162 HydrophobicContact CD1-CG2 4.03Å; L65-I162 HydrophobicContact CD1-CD1 4.19Å; L65-I162 HydrophobicContact CD1-CG1 4.33Å; L65-I162 HydrophobicContact CD1-CG2 3.99Å; L65-I162 HydrophobicContact CD2-CG2 4.4Å; L138-I162 HydrophobicContact CD1-CG1 3.63Å; L138-I162 HydrophobicContact CD2-CG1 4.38Å; I158-I162 HydrophobicContact CB-CD1 4.49Å; I158-I162 HydrophobicContact CG2-CD1 3.93Å; I158-I162 HydrophobicContact CG2-CG1 4.17Å; I158-I162 PolarHBondContact O-N 3.38Å; E159-I162 PolarHBondContact O-N 3.09Å; G160-I162 VanDerWaalsContact C-N 3.33Å; G160-I162 PolarHBondContact O-N 3.41Å; I162-E164 VanDerWaalsContact C-N 3.33Å; I162-E164 PolarHBondContact O-N 2.97Å; I162-L165 PolarHBondContact O-N 2.99Å; I162-L166 HydrophobicContact CG2-CD1 3.61Å; I162-L166 HydrophobicContact CG2-CG 4.06Å; I162-L166 VanDerWaalsContact O-CG 3.27Å; I162-L166 WeakPolarHBondContact O-CG 3.41Å; I162-L166 PolarHBondContact O-N 3.29Å |
| 163 | M | 97.9 | Very high | 95.9 | Very high | 55 Ų | 55 | 63.1 Ų | 63.1 | 27% | 0.271 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.3 | -42.3 | -179.4 | -72.3 | -61.7 | -64 | 0 | 0 | 111.5 | L60 E159 G160 L165 L166 E167 | L60-M163 HydrophobicContact CD2-SD 3.79Å; E159-M163 HydrophobicContact CG-CG 4.2Å; E159-M163 WeakPolarHBondContact O-CB 3.33Å; E159-M163 VanDerWaalsContact O-CG 3.3Å; E159-M163 WeakPolarHBondContact O-CG 3.03Å; E159-M163 PolarHBondContact O-N 3.43Å; G160-M163 PolarHBondContact O-N 3.2Å; M163-L165 VanDerWaalsContact C-N 3.3Å; M163-L165 PolarHBondContact O-N 2.8Å; M163-L166 PolarHBondContact O-N 2.68Å; M163-L166 VanDerWaalsContact O-N 3.11Å; M163-L166 HydrophobicContact SD-CD1 4.14Å; M163-E167 WeakPolarHBondContact O-CG 3.3Å; M163-E167 PolarHBondContact O-N 3.08Å |
| 164 | E | 98.2 | Very high | 95.8 | Very high | 102 Ų | 102 | 64.9 Ų | 64.9 | 48% | 0.477 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -56.5 | -43.3 | 175 | -168.7 | -163.4 | 141.3 | 0 | 0 | 112 | G160 I162 K168 | G160-E164 PolarHBondContact O-N 2.95Å; I162-E164 VanDerWaalsContact C-N 3.33Å; I162-E164 PolarHBondContact O-N 2.97Å; E164-K168 WeakPolarHBondContact O-CG 3.36Å; E164-K168 PolarHBondContact O-N 2.77Å; E164-K168 WeakPolarHBondContact OE1-CE 3.35Å; E164-K168 IonicContact OE1-NZ 3.35Å; E164-K168 PolarHBondContact OE1-NZ 3.19Å |
| 165 | L | 98.2 | Very high | 95.6 | Very high | 16 Ų | 16 | 69 Ų | 69 | 8% | 0.084 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -74.4 | -30.5 | 177.6 | -63.3 | -177.6 | 0 | 0 | 0 | 113.1 | V33 L138 D140 V146 D161 I162 M163 E167 K168 | V33-L165 HydrophobicContact CG1-CB 4.08Å; V33-L165 HydrophobicContact CG1-CD1 4.1Å; V33-L165 HydrophobicContact CG2-CB 3.6Å; L138-L165 HydrophobicContact CD1-CD1 4.06Å; L138-L165 HydrophobicContact CD2-CD1 3.49Å; L138-L165 VanDerWaalsContact CD2-CD1 3.49Å; L138-L165 HydrophobicContact CD2-CG 4.36Å; L138-L165 HydrophobicContact CG-CD1 3.52Å; D140-L165 HydrophobicContact CB-CD1 4.31Å; D140-L165 HydrophobicContact CB-CD2 4.32Å; V146-L165 HydrophobicContact CG2-CD1 3.67Å; D161-L165 WeakPolarHBondContact O-CG 3.18Å; D161-L165 PolarHBondContact O-N 2.87Å; I162-L165 PolarHBondContact O-N 2.99Å; M163-L165 VanDerWaalsContact C-N 3.3Å; M163-L165 PolarHBondContact O-N 2.8Å; L165-E167 VanDerWaalsContact C-N 3.27Å; L165-E167 PolarHBondContact O-N 2.9Å; L165-K168 HydrophobicContact CD2-CD 4.13Å; L165-K168 PolarHBondContact O-N 2.74Å |
| 166 | L | 97.5 | Very high | 95.4 | Very high | 19 Ų | 19 | 73.9 Ų | 73.9 | 10% | 0.099 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -68.9 | -29.2 | 176.6 | -71.5 | 174.9 | 0 | 0 | 0 | 111.7 | V33 L60 K63 R141 I162 M163 | V33-L166 HydrophobicContact CB-CD2 3.85Å; V33-L166 HydrophobicContact CB-CG 4.43Å; V33-L166 HydrophobicContact CG2-CD2 3.71Å; V33-L166 HydrophobicContact CG2-CG 4.17Å; L60-L166 HydrophobicContact CB-CD1 4.39Å; L60-L166 HydrophobicContact CD2-CD1 4.49Å; K63-L166 HydrophobicContact CB-CD1 4.17Å; K63-L166 WeakPolarHBondContact O-CD2 3.33Å; R141-L166 PolarHBondContact NH2-O 3.06Å; I162-L166 HydrophobicContact CG2-CD1 3.61Å; I162-L166 HydrophobicContact CG2-CG 4.06Å; I162-L166 VanDerWaalsContact O-CG 3.27Å; I162-L166 WeakPolarHBondContact O-CG 3.41Å; I162-L166 PolarHBondContact O-N 3.29Å; M163-L166 PolarHBondContact O-N 2.68Å; M163-L166 VanDerWaalsContact O-N 3.11Å; M163-L166 HydrophobicContact SD-CD1 4.14Å |
| 167 | E | 95.4 | Very high | 95.1 | Very high | 150 Ų | 150 | 72.4 Ų | 72.4 | 70% | 0.701 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -80.3 | -20.4 | 176.6 | -70.5 | 173.1 | -177.7 | 0 | 0 | 113.5 | M163 L165 | M163-E167 WeakPolarHBondContact O-CG 3.3Å; M163-E167 PolarHBondContact O-N 3.08Å; L165-E167 VanDerWaalsContact C-N 3.27Å; L165-E167 PolarHBondContact O-N 2.9Å |
| 168 | K | 89 | Confident | 94.8 | Very high | 106 Ų | 106 | 69.3 Ų | 69.3 | 46% | 0.461 | 35% | 0.345 | S | S | . | . | trans | -72 | 131.2 | 173 | -72.3 | 173.5 | -172.7 | 171.1 | 0 | 110.5 | R141 E164 L165 | R141-K168 WeakPolarHBondContact CD-O 3.31Å; R141-K168 PolarHBondContact NE-O 3.18Å; E164-K168 WeakPolarHBondContact O-CG 3.36Å; E164-K168 PolarHBondContact O-N 2.77Å; E164-K168 WeakPolarHBondContact OE1-CE 3.35Å; E164-K168 IonicContact OE1-NZ 3.35Å; E164-K168 PolarHBondContact OE1-NZ 3.19Å; L165-K168 HydrophobicContact CD2-CD 4.13Å; L165-K168 PolarHBondContact O-N 2.74Å | ||
| 169 | K | 70.1 | Confident | 94.5 | Very high | 245 Ų | 245 | 75.6 Ų | 75.6 | 100% | 1.065 | 38% | 0.377 | S | S | * | . | trans | -77.2 | 0 | 174.6 | -69.5 | -173.9 | 178.6 | 179.8 | 0 | 111.3 |
Retrieved 169 of 169 residues in 136 ms
(Link to these results)