| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 35.3 | Very low | 55.2 | Low | 243 Ų | 243 | 113.7 Ų | 113.7 | 100% | 1.197 | 64% | 0.644 | S | S | * | * | 0 | 95.5 | 0 | -70.1 | 171.1 | -173.3 | 0 | 0 | 106.4 | E3 | M1-E3 PolarHBondContact O-N 3.14Å; M1-E3 VanDerWaalsContact O-N 3.16Å | |||
| 2 | T | 41 | Very low | 57.6 | Low | 140 Ų | 140 | 117.8 Ų | 117.8 | 86% | 0.859 | 64% | 0.643 | S | S | * | * | trans | -67.4 | 104.5 | 168.9 | 26.4 | 0 | 0 | 0 | 0 | 106.7 | T4 | T2-T4 PolarHBondContact O-N 3.48Š| ||
| 3 | E | 43.8 | Very low | 59.9 | Low | 171 Ų | 171 | 112.2 Ų | 112.2 | 80% | 0.799 | 61% | 0.607 | S | S | * | * | trans | -54.4 | 107.1 | 165.9 | -77.1 | -179.9 | 153.4 | 0 | 0 | 107.1 | M1 V5 | M1-E3 PolarHBondContact O-N 3.14Å; M1-E3 VanDerWaalsContact O-N 3.16Å; E3-V5 HydrophobicContact CB-CG2 4.09Å; E3-V5 PolarHBondContact O-N 2.99Å | ||
| 4 | T | 44.3 | Very low | 61.8 | Low | 133 Ų | 133 | 114 Ų | 114 | 82% | 0.816 | 61% | 0.61 | S | S | * | * | trans | -65.2 | 76.8 | 155.9 | 47.5 | 0 | 0 | 0 | 0 | 106 | T2 N6 | T2-T4 PolarHBondContact O-N 3.48Å; T4-N6 PolarHBondContact O-N 3.22Å | ||
| 5 | V | 48.5 | Very low | 63.5 | Low | 79 Ų | 79 | 113.1 Ų | 113.1 | 48% | 0.479 | 60% | 0.598 | S | S | . | * | trans | -54.7 | 110.8 | 164.8 | 177.3 | 0 | 0 | 0 | 0 | 104.4 | E3 T7 | E3-V5 HydrophobicContact CB-CG2 4.09Å; E3-V5 PolarHBondContact O-N 2.99Å; V5-T7 PolarHBondContact O-N 3.42Å | ||
| 6 | N | 51 | Low | 65.2 | Low | 110 Ų | 110 | 109.5 Ų | 109.5 | 59% | 0.588 | 58% | 0.577 | S | S | * | * | trans | -54.9 | 106.7 | -169.4 | -145 | 0.1 | 0 | 0 | 0 | 107.6 | T4 S8 S9 | T4-N6 PolarHBondContact O-N 3.22Å; N6-S8 PolarHBondContact O-N 3Å; N6-S8 PolarHBondContact OD1-OG 3.34Å; N6-S9 PolarHBondContact O-N 2.85Å; N6-S9 PolarHBondContact O-OG 3.04Å | ||
| 7 | T | 53.9 | Low | 66.7 | Low | 96 Ų | 96 | 109.4 Ų | 109.4 | 59% | 0.589 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -56.1 | -21.5 | -173.7 | 40.7 | 0 | 0 | 0 | 0 | 112.4 | V5 C11 | V5-T7 PolarHBondContact O-N 3.42Å; T7-C11 PolarHBondContact O-N 2.89Å |
| 8 | S | 59.4 | Low | 68.2 | Low | 79 Ų | 79 | 106.4 Ų | 106.4 | 55% | 0.552 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -64.8 | -37.2 | 172.6 | 51.9 | 0 | 0 | 0 | 0 | 114.4 | N6 | N6-S8 PolarHBondContact O-N 3Å; N6-S8 PolarHBondContact OD1-OG 3.34Å |
| 9 | S | 68.4 | Low | 69.5 | Low | 79 Ų | 79 | 102.2 Ų | 102.2 | 55% | 0.552 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -76 | -31.9 | 177.3 | 63.3 | 0 | 0 | 0 | 0 | 111.9 | N6 Y12 | N6-S9 PolarHBondContact O-N 2.85Å; N6-S9 PolarHBondContact O-OG 3.04Å; S9-Y12 WeakPolarHBondContact O-CB 3.44Å; S9-Y12 PolarHBondContact O-N 3.29Å |
| 10 | Q | 75.7 | Confident | 70.8 | Confident | 81 Ų | 81 | 101.7 Ų | 101.7 | 38% | 0.379 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -73.3 | -28.3 | -176.8 | -149.3 | 177.2 | 18.2 | 0 | 0 | 113 | Y172 Q174 | Q10-Y172 HydrophobicContact CG-CD1 4.48Å; Q10-Y172 HydrophobicContact CG-CE1 4.38Å; Q10-Q174 VanDerWaalsContact OE1-NE2 3.15Å |
| 11 | C | 85.7 | Confident | 71.9 | Confident | 40 Ų | 40 | 101.3 Ų | 101.3 | 27% | 0.27 | 52% | 0.524 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | 8.6 | 176.8 | -60.8 | 0 | 0 | 0 | 0 | 114 | T7 Y13 C175 | T7-C11 PolarHBondContact O-N 2.89Å; C11-Y13 PolarHBondContact O-N 3.17Å; C11-C175 WeakPolarHBondContact CA-SG 3.44Å; C11-C175 HydrophobicContact CB-CB 3.67Å; C11-C175 WeakPolarHBondContact CB-SG 3.25Å; C11-C175 WeakPolarHBondContact SG-CA 3.45Å; C11-C175 WeakPolarHBondContact SG-CB 2.84Å; C11-C175 CovalentContact SG-SG 2.04Å; C11-C175 PolarHBondContact SG-SG 3.14Å |
| 12 | Y | 84.7 | Confident | 74.7 | Confident | 163 Ų | 163 | 90.3 Ų | 90.3 | 64% | 0.639 | 47% | 0.47 | S | S | * | . | trans | -76.7 | 122.8 | -180 | -178.8 | -104.1 | 0 | 0 | 0 | 110.4 | S9 E14 | S9-Y12 WeakPolarHBondContact O-CB 3.44Å; S9-Y12 PolarHBondContact O-N 3.29Å; Y12-E14 HydrophobicContact CD1-CB 4.38Å; Y12-E14 HydrophobicContact CE1-CB 3.78Å; Y12-E14 HydrophobicContact CE1-CG 4.19Å | ||
| 13 | Y | 87.6 | Confident | 77.3 | Confident | 45 Ų | 45 | 84.4 Ų | 84.4 | 18% | 0.176 | 43% | 0.432 | C | S | . | . | trans | -97.8 | 115.4 | 169.6 | 175.2 | -106.6 | 0 | 0 | 0 | 108.9 | C11 K15 E86 Y94 F178 | C11-Y13 PolarHBondContact O-N 3.17Å; Y13-K15 HydrophobicContact CD1-CG 4.1Å; Y13-K15 HydrophobicContact CE1-CG 3.96Å; Y13-K15 PolarHBondContact O-N 3.38Å; Y13-E86 HydrophobicContact CE1-CG 4.12Å; Y13-E86 WeakPolarHBondContact CE1-OE1 3.33Å; Y13-E86 PolarHBondContact OH-OE1 3.17Å; Y13-Y94 HydrophobicContact CE2-CE2 4.14Å; Y13-F178 HydrophobicContact CD1-CB 3.55Å; Y13-F178 HydrophobicContact CD1-CD1 4.27Å; Y13-F178 HydrophobicContact CD1-CG 4.01Å; Y13-F178 HydrophobicContact CD2-CB 3.9Å; Y13-F178 WeakPolarHBondContact CD2-O 3.16Å; Y13-F178 HydrophobicContact CE1-CB 4.09Å; Y13-F178 AromaticContact CE1-CD1 3.94Å; Y13-F178 HydrophobicContact CE1-CD1 3.94Å; Y13-F178 HydrophobicContact CE1-CG 4.11Å; Y13-F178 HydrophobicContact CE2-CB 4.44Å; Y13-F178 HydrophobicContact CE2-CD1 4.38Å; Y13-F178 HydrophobicContact CG-CB 3.42Å; Y13-F178 VanDerWaalsContact CG-CB 3.42Å; Y13-F178 HydrophobicContact CG-CG 4.32Å | ||
| 14 | E | 86.3 | Confident | 79.7 | Confident | 137 Ų | 137 | 82.3 Ų | 82.3 | 64% | 0.64 | 42% | 0.418 | S | S | * | . | trans | -80.3 | 114.6 | 174.6 | -168.7 | 170.7 | -172.9 | 0 | 0 | 109.6 | Y12 | Y12-E14 HydrophobicContact CD1-CB 4.38Å; Y12-E14 HydrophobicContact CE1-CB 3.78Å; Y12-E14 HydrophobicContact CE1-CG 4.19Å | ||
| 15 | K | 87.6 | Confident | 82 | Confident | 100 Ų | 100 | 79.1 Ų | 79.1 | 44% | 0.435 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -68 | 145.7 | 177.3 | -73 | -166.8 | 174.9 | -171.6 | 0 | 111.3 | Y13 Q17 E86 E89 | Y13-K15 HydrophobicContact CD1-CG 4.1Å; Y13-K15 HydrophobicContact CE1-CG 3.96Å; Y13-K15 PolarHBondContact O-N 3.38Å; K15-Q17 PolarHBondContact O-N 3.29Å; K15-E86 WeakPolarHBondContact CA-OE1 3.15Å; K15-E86 WeakPolarHBondContact CB-OE1 3.22Å; K15-E86 WeakPolarHBondContact CG-OE1 3.41Å; K15-E89 IonicContact NZ-OE1 2.69Å; K15-E89 PolarHBondContact NZ-OE1 3.25Å |
| 16 | H | 90.4 | Very high | 84.1 | Confident | 56 Ų | 56 | 75.4 Ų | 75.4 | 26% | 0.259 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -59.4 | 131.2 | 175 | -77 | 105.7 | 0 | 0 | 0 | 111.5 | L19 E82 Y83 E86 | H16-L19 HydrophobicContact CB-CD1 4.5Å; H16-E82 IonicContact CE1-OE1 2.67Å; H16-E82 PolarHBondContact CE1-OE1 2.9Å; H16-E82 IonicContact NE2-OE1 3.97Å; H16-Y83 HydrophobicContact CB-CE1 4.29Å; H16-Y83 AromaticContact CG-CE1 3.92Å; H16-E86 WeakPolarHBondContact CB-OE2 3.43Å; H16-E86 IonicContact CE1-OE2 3.42Å; H16-E86 IonicContact CG-OE2 3.4Å; H16-E86 PolarHBondContact N-OE1 3.37Å; H16-E86 IonicContact ND1-OE1 3.81Å; H16-E86 IonicContact ND1-OE2 3.62Å; H16-E86 PolarHBondContact ND1-OE2 3.15Å |
| 17 | Q | 90.9 | Very high | 86.2 | Confident | 108 Ų | 108 | 70.4 Ų | 70.4 | 51% | 0.505 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | 140.6 | 170.4 | -63.1 | -173.4 | -22.9 | 0 | 0 | 110.5 | K15 L19 | K15-Q17 PolarHBondContact O-N 3.29Å; Q17-L19 VanDerWaalsContact C-N 3.33Å |
| 18 | W | 93.2 | Very high | 88.1 | Confident | 56 Ų | 56 | 69.2 Ų | 69.2 | 21% | 0.212 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 58.4 | 42.3 | -176 | -51.9 | -68.6 | 0 | 0 | 0 | 112.9 | D20 E21 K22 P291 K292 A295 F296 | W18-D20 VanDerWaalsContact C-N 3.34Å; W18-D20 PolarHBondContact O-N 2.89Å; W18-E21 VanDerWaalsContact C-OE2 3.24Å; W18-E21 WeakPolarHBondContact CA-OE2 3.4Å; W18-E21 HydrophobicContact CB-CB 4.37Å; W18-E21 WeakPolarHBondContact CB-OE2 3.49Å; W18-E21 PolarHBondContact O-N 2.95Å; W18-K22 WeakPolarHBondContact O-CB 3.13Å; W18-K22 VanDerWaalsContact O-CG 3.3Å; W18-K22 WeakPolarHBondContact O-CG 3.37Å; W18-K22 PolarHBondContact O-N 3.19Å; W18-P291 HydrophobicContact CH2-CB 3.79Å; W18-P291 HydrophobicContact CH2-CG 4.2Å; W18-P291 HydrophobicContact CZ3-CB 4.29Å; W18-K292 HydrophobicContact CD2-CG 4.08Å; W18-K292 VanDerWaalsContact CE2-CG 3.49Å; W18-K292 HydrophobicContact CE3-CG 4.36Å; W18-K292 HydrophobicContact CH2-CB 4.44Å; W18-K292 HydrophobicContact CH2-CG 3.63Å; W18-K292 HydrophobicContact CZ2-CB 4.46Å; W18-K292 HydrophobicContact CZ2-CD 4.11Å; W18-K292 HydrophobicContact CZ2-CG 3.25Å; W18-K292 HydrophobicContact CZ3-CG 4.15Å; W18-K292 VanDerWaalsContact NE1-CE 3.29Å; W18-A295 HydrophobicContact CE3-CB 4.31Å; W18-A295 HydrophobicContact CZ3-CB 4.22Å; W18-F296 HydrophobicContact CB-CE2 4.01Å; W18-F296 HydrophobicContact CB-CZ 4.04Å; W18-F296 HydrophobicContact CD2-CE2 4.35Å; W18-F296 HydrophobicContact CE3-CE2 4.48Å; W18-F296 HydrophobicContact CG-CE2 4.1Å |
| 19 | L | 93.8 | Very high | 89.7 | Confident | 25 Ų | 25 | 68.6 Ų | 68.6 | 13% | 0.131 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -57.4 | -45.3 | -177.1 | 178.5 | 59.7 | 0 | 0 | 0 | 112 | H16 Q17 E21 K22 F23 Y83 E86 Y87 | H16-L19 HydrophobicContact CB-CD1 4.5Å; Q17-L19 VanDerWaalsContact C-N 3.33Å; L19-E21 PolarHBondContact O-N 3.4Å; L19-K22 PolarHBondContact O-N 2.88Å; L19-F23 WeakPolarHBondContact O-CB 3.12Å; L19-F23 PolarHBondContact O-N 2.84Å; L19-Y83 HydrophobicContact CD1-CD1 4.01Å; L19-E86 HydrophobicContact CD1-CB 4.08Å; L19-E86 HydrophobicContact CD1-CG 4.21Å; L19-E86 HydrophobicContact CD2-CB 4.28Å; L19-E86 HydrophobicContact CD2-CG 3.81Å; L19-Y87 HydrophobicContact CG-CD2 4.48Å |
| 20 | D | 95 | Very high | 90.8 | Very high | 92 Ų | 92 | 64.8 Ų | 64.8 | 49% | 0.492 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -60.4 | -49.5 | -179.6 | -66.8 | -20.6 | 0 | 0 | 0 | 110.7 | W18 K22 F23 Y24 Y87 | W18-D20 VanDerWaalsContact C-N 3.34Å; W18-D20 PolarHBondContact O-N 2.89Å; D20-K22 PolarHBondContact O-N 3.19Å; D20-F23 PolarHBondContact O-N 3.03Å; D20-Y24 WeakPolarHBondContact O-CD2 3.43Å; D20-Y24 PolarHBondContact O-N 3.23Å; D20-Y87 VanDerWaalsContact OD1-CE2 3.25Å; D20-Y87 WeakPolarHBondContact OD1-CE2 3.43Å |
| 21 | E | 93.9 | Very high | 91.6 | Very high | 94 Ų | 94 | 62.5 Ų | 62.5 | 44% | 0.439 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -64.5 | -42.9 | -179.2 | -60.2 | 96.2 | 144.5 | 0 | 0 | 111.8 | W18 L19 L25 F296 | W18-E21 VanDerWaalsContact C-OE2 3.24Å; W18-E21 WeakPolarHBondContact CA-OE2 3.4Å; W18-E21 HydrophobicContact CB-CB 4.37Å; W18-E21 WeakPolarHBondContact CB-OE2 3.49Å; W18-E21 PolarHBondContact O-N 2.95Å; L19-E21 PolarHBondContact O-N 3.4Å; E21-L25 WeakPolarHBondContact O-CB 3.35Å; E21-L25 PolarHBondContact O-N 3.36Å; E21-F296 HydrophobicContact CB-CE1 4.26Å; E21-F296 HydrophobicContact CB-CZ 3.75Å |
| 22 | K | 93.3 | Very high | 91.9 | Very high | 13 Ų | 13 | 66.9 Ų | 66.9 | 6% | 0.057 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -66.3 | -39.4 | 176.4 | -73.5 | -179.4 | 169 | -149.9 | 0 | 111.7 | W18 L19 D20 L25 I26 Y83 F296 E299 | W18-K22 WeakPolarHBondContact O-CB 3.13Å; W18-K22 VanDerWaalsContact O-CG 3.3Å; W18-K22 WeakPolarHBondContact O-CG 3.37Å; W18-K22 PolarHBondContact O-N 3.19Å; L19-K22 PolarHBondContact O-N 2.88Å; D20-K22 PolarHBondContact O-N 3.19Å; K22-L25 PolarHBondContact O-N 3.24Å; K22-I26 WeakPolarHBondContact O-CA 3.36Å; K22-I26 WeakPolarHBondContact O-CB 3.45Å; K22-I26 WeakPolarHBondContact O-CG1 3.04Å; K22-I26 PolarHBondContact O-N 2.97Å; K22-Y83 HydrophobicContact CB-CD1 4.04Å; K22-Y83 HydrophobicContact CB-CD2 4.49Å; K22-Y83 HydrophobicContact CB-CE1 3.96Å; K22-Y83 HydrophobicContact CB-CE2 4.42Å; K22-Y83 HydrophobicContact CB-CG 4.3Å; K22-Y83 HydrophobicContact CD-CD1 4.38Å; K22-Y83 HydrophobicContact CD-CE1 3.58Å; K22-Y83 HydrophobicContact CG-CE1 4.4Å; K22-Y83 PolarHBondContact NZ-OH 2.94Å; K22-F296 HydrophobicContact CG-CE1 4.44Å; K22-F296 HydrophobicContact CG-CZ 4.47Å; K22-E299 IonicContact NZ-OE1 3.19Å; K22-E299 PolarHBondContact NZ-OE1 3.39Å |
| 23 | F | 95.3 | Very high | 92.1 | Very high | 15 Ų | 15 | 61.7 Ų | 61.7 | 7% | 0.066 | 30% | 0.297 | C | S | . | . | I | π-helix | trans | -60.2 | -53.3 | 176.5 | 172 | -100.5 | 0 | 0 | 0 | 110.9 | L19 D20 L25 S27 V28 V84 Y87 F88 | L19-F23 WeakPolarHBondContact O-CB 3.12Å; L19-F23 PolarHBondContact O-N 2.84Å; D20-F23 PolarHBondContact O-N 3.03Å; F23-L25 PolarHBondContact O-N 3.21Å; F23-S27 VanDerWaalsContact O-CA 3.29Å; F23-S27 WeakPolarHBondContact O-CA 3.34Å; F23-S27 WeakPolarHBondContact O-CB 3.34Å; F23-S27 PolarHBondContact O-N 3.42Å; F23-V28 HydrophobicContact CD1-CG2 4.27Å; F23-V28 HydrophobicContact CE1-CG2 3.76Å; F23-V28 HydrophobicContact CZ-CG2 4Å; F23-V28 PolarHBondContact O-N 3.35Å; F23-V84 HydrophobicContact CE2-CG2 4.01Å; F23-Y87 HydrophobicContact CB-CD2 3.81Å; F23-Y87 HydrophobicContact CB-CE2 4.43Å; F23-Y87 HydrophobicContact CB-CG 4.22Å; F23-Y87 HydrophobicContact CD1-CD1 4.04Å; F23-Y87 AromaticContact CD1-CD2 3.76Å; F23-Y87 HydrophobicContact CD1-CD2 3.76Å; F23-Y87 HydrophobicContact CD1-CE1 4.1Å; F23-Y87 AromaticContact CD1-CE2 3.82Å; F23-Y87 HydrophobicContact CD1-CE2 3.82Å; F23-Y87 AromaticContact CD1-CG 3.87Å; F23-Y87 HydrophobicContact CD1-CG 3.87Å; F23-Y87 HydrophobicContact CD2-CD1 4.16Å; F23-Y87 HydrophobicContact CD2-CD2 4.19Å; F23-Y87 AromaticContact CD2-CG 3.73Å; F23-Y87 HydrophobicContact CD2-CG 3.73Å; F23-Y87 AromaticContact CE1-CD1 3.84Å; F23-Y87 HydrophobicContact CE1-CD1 3.84Å; F23-Y87 HydrophobicContact CE1-CD2 4.39Å; F23-Y87 AromaticContact CE1-CE1 3.81Å; F23-Y87 HydrophobicContact CE1-CE1 3.81Å; F23-Y87 HydrophobicContact CE1-CE2 4.35Å; F23-Y87 HydrophobicContact CE1-CG 4.15Å; F23-Y87 AromaticContact CE2-CD1 3.97Å; F23-Y87 HydrophobicContact CE2-CD1 3.97Å; F23-Y87 HydrophobicContact CE2-CG 4Å; F23-Y87 HydrophobicContact CG-CD1 4.19Å; F23-Y87 AromaticContact CG-CD2 3.64Å; F23-Y87 HydrophobicContact CG-CD2 3.64Å; F23-Y87 HydrophobicContact CG-CE2 4.18Å; F23-Y87 AromaticContact CG-CG 3.65Å; F23-Y87 HydrophobicContact CG-CG 3.65Å; F23-Y87 AromaticContact CZ-CD1 3.8Å; F23-Y87 HydrophobicContact CZ-CD1 3.8Å; F23-Y87 HydrophobicContact CZ-CE1 4.15Å; F23-Y87 HydrophobicContact CZ-CG 4.21Å; F23-F88 AromaticContact CE2-CE2 3.84Å; F23-F88 HydrophobicContact CE2-CE2 3.84Å; F23-F88 HydrophobicContact CE2-CZ 4.49Å; F23-F88 AromaticContact CZ-CE2 3.76Å; F23-F88 HydrophobicContact CZ-CE2 3.76Å; F23-F88 AromaticContact CZ-CZ 3.98Å; F23-F88 HydrophobicContact CZ-CZ 3.98Å |
| 24 | Y | 95.5 | Very high | 92.3 | Very high | 128 Ų | 128 | 59.6 Ų | 59.6 | 50% | 0.502 | 29% | 0.288 | S | S | . | . | I | π-helix | trans | -64.8 | -41.6 | 179.3 | -74.8 | -69.7 | 0 | 0 | 0 | 112.3 | D20 V28 C29 | D20-Y24 WeakPolarHBondContact O-CD2 3.43Å; D20-Y24 PolarHBondContact O-N 3.23Å; Y24-V28 HydrophobicContact CD1-CG2 4.05Å; Y24-V28 WeakPolarHBondContact O-CB 3.42Å; Y24-V28 PolarHBondContact O-N 3.3Å; Y24-C29 PolarHBondContact O-N 3.04Å; Y24-C29 PolarHBondContact O-SG 3.39Å |
| 25 | L | 92.4 | Very high | 92.6 | Very high | 66 Ų | 66 | 57.5 Ų | 57.5 | 35% | 0.346 | 28% | 0.281 | S | S | . | . | I | π-helix | trans | -71.7 | -50.1 | -177.5 | -177.4 | 62.5 | 0 | 0 | 0 | 112.9 | E21 K22 F23 C29 G30 F296 | E21-L25 WeakPolarHBondContact O-CB 3.35Å; E21-L25 PolarHBondContact O-N 3.36Å; K22-L25 PolarHBondContact O-N 3.24Å; F23-L25 PolarHBondContact O-N 3.21Å; L25-C29 WeakPolarHBondContact O-CB 3.49Å; L25-G30 PolarHBondContact O-N 3.44Å; L25-G30 VanDerWaalsContact O-N 3.08Å; L25-F296 HydrophobicContact CD2-CD1 4.1Å; L25-F296 HydrophobicContact CD2-CE1 4.16Å |
| 26 | I | 92.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 28% | 0.278 | C | S | . | . | I | π-helix | trans | -89.7 | -46.9 | -172.1 | -54.6 | -58.7 | 0 | 0 | 0 | 110.6 | K22 T31 S80 Y83 E299 F303 | K22-I26 WeakPolarHBondContact O-CA 3.36Å; K22-I26 WeakPolarHBondContact O-CB 3.45Å; K22-I26 WeakPolarHBondContact O-CG1 3.04Å; K22-I26 PolarHBondContact O-N 2.97Å; I26-T31 PolarHBondContact O-N 3.27Å; I26-S80 PolarHBondContact O-OG 2.92Å; I26-Y83 HydrophobicContact CB-CD2 3.96Å; I26-Y83 HydrophobicContact CB-CE2 4.05Å; I26-Y83 HydrophobicContact CG1-CD2 4.49Å; I26-Y83 HydrophobicContact CG1-CE2 4.16Å; I26-Y83 HydrophobicContact CG2-CD2 3.9Å; I26-Y83 HydrophobicContact CG2-CE2 3.87Å; I26-E299 HydrophobicContact CD1-CB 3.99Å; I26-F303 HydrophobicContact CB-CD1 4.32Å; I26-F303 HydrophobicContact CB-CE1 4.43Å; I26-F303 HydrophobicContact CD1-CD1 3.93Å; I26-F303 HydrophobicContact CG2-CD1 3.56Å; I26-F303 HydrophobicContact CG2-CE1 3.69Å; I26-F303 HydrophobicContact CG2-CG 4.19Å; I26-F303 WeakPolarHBondContact O-CE1 3.34Å |
| 27 | S | 94.3 | Very high | 92.7 | Very high | 6 Ų | 6 | 53.5 Ų | 53.5 | 4% | 0.042 | 27% | 0.266 | C | S | . | . | I | π-helix | trans | -80 | -47.2 | -175.8 | -54.7 | 0 | 0 | 0 | 0 | 112.3 | F23 T31 S80 Y83 | F23-S27 VanDerWaalsContact O-CA 3.29Å; F23-S27 WeakPolarHBondContact O-CA 3.34Å; F23-S27 WeakPolarHBondContact O-CB 3.34Å; F23-S27 PolarHBondContact O-N 3.42Å; S27-T31 WeakPolarHBondContact O-CB 3.34Å; S27-T31 PolarHBondContact O-OG1 3.36Å; S27-S80 PolarHBondContact OG-O 3.48Å; S27-Y83 WeakPolarHBondContact OG-CB 3.47Å |
| 28 | V | 95 | Very high | 92.7 | Very high | 70 Ų | 70 | 50 Ų | 50 | 42% | 0.424 | 25% | 0.25 | S | S | . | . | I | π-helix | trans | -81.2 | -65.3 | -176.7 | -176.3 | 0 | 0 | 0 | 0 | 110.6 | F23 Y24 F32 | F23-V28 HydrophobicContact CD1-CG2 4.27Å; F23-V28 HydrophobicContact CE1-CG2 3.76Å; F23-V28 HydrophobicContact CZ-CG2 4Å; F23-V28 PolarHBondContact O-N 3.35Å; Y24-V28 HydrophobicContact CD1-CG2 4.05Å; Y24-V28 WeakPolarHBondContact O-CB 3.42Å; Y24-V28 PolarHBondContact O-N 3.3Å; V28-F32 WeakPolarHBondContact O-CB 3.43Å; V28-F32 PolarHBondContact O-N 3.23Å; V28-F32 VanDerWaalsContact O-N 3.11Å |
| 29 | C | 92.1 | Very high | 92.6 | Very high | 66 Ų | 66 | 52.8 Ų | 52.8 | 45% | 0.446 | 27% | 0.267 | S | S | . | . | I | π-helix | trans | -64.6 | -46.8 | -175.3 | -68.2 | 0 | 0 | 0 | 0 | 112.1 | Y24 L25 F32 I33 | Y24-C29 PolarHBondContact O-N 3.04Å; Y24-C29 PolarHBondContact O-SG 3.39Å; L25-C29 WeakPolarHBondContact O-CB 3.49Å; C29-F32 WeakPolarHBondContact O-CB 3.29Å; C29-F32 PolarHBondContact O-N 3.25Å; C29-I33 WeakPolarHBondContact O-CG1 3.36Å; C29-I33 PolarHBondContact O-N 3.21Å |
| 30 | G | 91 | Very high | 92.2 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 27% | 0.274 | C | S | . | . | I | π-helix | trans | -74 | -30.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | L25 I33 A34 L307 | L25-G30 PolarHBondContact O-N 3.44Å; L25-G30 VanDerWaalsContact O-N 3.08Å; G30-I33 PolarHBondContact O-N 3.06Å; G30-A34 WeakPolarHBondContact O-CB 3.48Å; G30-A34 PolarHBondContact O-N 3.26Å; G30-L307 WeakPolarHBondContact O-CD1 3.44Å |
| 31 | T | 93.3 | Very high | 92 | Very high | 33 Ų | 33 | 49.2 Ų | 49.2 | 20% | 0.202 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.4 | -40.5 | 168.4 | -57.2 | 0 | 0 | 0 | 0 | 111.1 | I26 S27 I33 A34 L35 V76 S80 | I26-T31 PolarHBondContact O-N 3.27Å; S27-T31 WeakPolarHBondContact O-CB 3.34Å; S27-T31 PolarHBondContact O-OG1 3.36Å; T31-I33 PolarHBondContact O-N 3.17Å; T31-A34 WeakPolarHBondContact O-CB 3.47Å; T31-A34 PolarHBondContact O-N 2.83Å; T31-L35 HydrophobicContact CG2-CD1 4.32Å; T31-L35 HydrophobicContact CG2-CG 4.35Å; T31-L35 WeakPolarHBondContact O-CG 3.34Å; T31-L35 PolarHBondContact O-N 2.92Å; T31-V76 HydrophobicContact CG2-CG1 3.99Å; T31-V76 HydrophobicContact CG2-CG2 4.37Å; T31-S80 WeakPolarHBondContact OG1-CB 3.42Å; T31-S80 PolarHBondContact OG1-OG 2.65Å; T31-S80 VanDerWaalsContact OG1-OG 3.05Å |
| 32 | F | 91.7 | Very high | 91.9 | Very high | 131 Ų | 131 | 47.9 Ų | 47.9 | 58% | 0.575 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -59.4 | -46.6 | 176.1 | 176.8 | -103.7 | 0 | 0 | 0 | 111.9 | V28 C29 A34 L35 L36 | V28-F32 WeakPolarHBondContact O-CB 3.43Å; V28-F32 PolarHBondContact O-N 3.23Å; V28-F32 VanDerWaalsContact O-N 3.11Å; C29-F32 WeakPolarHBondContact O-CB 3.29Å; C29-F32 PolarHBondContact O-N 3.25Å; F32-A34 PolarHBondContact O-N 3.48Å; F32-L35 PolarHBondContact O-N 3.17Å; F32-L36 HydrophobicContact CD1-CD1 4.18Å; F32-L36 HydrophobicContact CE1-CD1 3.63Å; F32-L36 HydrophobicContact CE1-CG 4.35Å; F32-L36 HydrophobicContact CZ-CD1 3.96Å; F32-L36 HydrophobicContact CZ-CD2 4.47Å; F32-L36 HydrophobicContact CZ-CG 4.33Å; F32-L36 PolarHBondContact O-N 2.93Å; F32-L36 VanDerWaalsContact O-N 3.09Å |
| 33 | I | 90.1 | Very high | 91.7 | Very high | 55 Ų | 55 | 49.7 Ų | 49.7 | 28% | 0.282 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -60.2 | -45.2 | 173.9 | -68.4 | 169.9 | 0 | 0 | 0 | 110.4 | C29 G30 T31 L35 L36 G37 L307 M311 | C29-I33 WeakPolarHBondContact O-CG1 3.36Å; C29-I33 PolarHBondContact O-N 3.21Å; G30-I33 PolarHBondContact O-N 3.06Å; T31-I33 PolarHBondContact O-N 3.17Å; I33-L35 VanDerWaalsContact C-N 3.32Å; I33-L35 PolarHBondContact O-N 2.86Å; I33-L36 PolarHBondContact O-N 3.45Å; I33-G37 PolarHBondContact O-N 3.31Å; I33-L307 HydrophobicContact CB-CD1 4.03Å; I33-L307 HydrophobicContact CG2-CB 3.93Å; I33-L307 HydrophobicContact CG2-CD1 3.75Å; I33-L307 HydrophobicContact CG2-CG 4.29Å; I33-M311 HydrophobicContact CB-CE 4.12Å; I33-M311 HydrophobicContact CG2-CE 3.35Å; I33-M311 HydrophobicContact CG2-SD 3.99Å; I33-M311 WeakPolarHBondContact O-CE 3.4Å |
| 34 | A | 91.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.4 | -41.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | G30 T31 F32 G37 I38 L72 V76 L307 | G30-A34 WeakPolarHBondContact O-CB 3.48Å; G30-A34 PolarHBondContact O-N 3.26Å; T31-A34 WeakPolarHBondContact O-CB 3.47Å; T31-A34 PolarHBondContact O-N 2.83Å; F32-A34 PolarHBondContact O-N 3.48Å; A34-G37 PolarHBondContact O-N 3.08Å; A34-I38 VanDerWaalsContact O-CG1 3.27Å; A34-I38 WeakPolarHBondContact O-CG1 3.46Å; A34-I38 PolarHBondContact O-N 3.45Å; A34-L72 HydrophobicContact CB-CD2 4.07Å; A34-V76 HydrophobicContact CB-CG2 3.4Å; A34-V76 VanDerWaalsContact CB-CG2 3.4Å; A34-L307 HydrophobicContact CB-CD2 3.76Å |
| 35 | L | 92.2 | Very high | 90.9 | Very high | 93 Ų | 93 | 44.6 Ų | 44.6 | 49% | 0.487 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -62.6 | -44.9 | 176.5 | -71.2 | 172.5 | 0 | 0 | 0 | 111.7 | T31 F32 I33 G37 I38 M39 | T31-L35 HydrophobicContact CG2-CD1 4.32Å; T31-L35 HydrophobicContact CG2-CG 4.35Å; T31-L35 WeakPolarHBondContact O-CG 3.34Å; T31-L35 PolarHBondContact O-N 2.92Å; F32-L35 PolarHBondContact O-N 3.17Å; I33-L35 VanDerWaalsContact C-N 3.32Å; I33-L35 PolarHBondContact O-N 2.86Å; L35-G37 VanDerWaalsContact C-N 3.32Å; L35-G37 PolarHBondContact O-N 2.9Å; L35-I38 PolarHBondContact O-N 3.28Å; L35-M39 WeakPolarHBondContact O-CG 3.44Å; L35-M39 PolarHBondContact O-N 3.42Å |
| 36 | L | 89.8 | Confident | 90.7 | Very high | 73 Ų | 73 | 46.7 Ų | 46.7 | 38% | 0.382 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -58.3 | -45 | 173.5 | -67.4 | 176.6 | 0 | 0 | 0 | 111.4 | F32 I33 M39 A40 M311 | F32-L36 HydrophobicContact CD1-CD1 4.18Å; F32-L36 HydrophobicContact CE1-CD1 3.63Å; F32-L36 HydrophobicContact CE1-CG 4.35Å; F32-L36 HydrophobicContact CZ-CD1 3.96Å; F32-L36 HydrophobicContact CZ-CD2 4.47Å; F32-L36 HydrophobicContact CZ-CG 4.33Å; F32-L36 PolarHBondContact O-N 2.93Å; F32-L36 VanDerWaalsContact O-N 3.09Å; I33-L36 PolarHBondContact O-N 3.45Å; L36-M39 HydrophobicContact CD2-CE 3.64Å; L36-M39 HydrophobicContact CG-CE 4.47Å; L36-M39 PolarHBondContact O-N 2.99Å; L36-A40 WeakPolarHBondContact O-CB 3.28Å; L36-A40 PolarHBondContact O-N 3.15Å; L36-M311 HydrophobicContact CB-CE 3.82Å; L36-M311 HydrophobicContact CD1-CE 4.47Å |
| 37 | G | 88.8 | Confident | 90.5 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.2 | -41.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113 | I33 A34 L35 A40 N41 L72 | I33-G37 PolarHBondContact O-N 3.31Å; A34-G37 PolarHBondContact O-N 3.08Å; L35-G37 VanDerWaalsContact C-N 3.32Å; L35-G37 PolarHBondContact O-N 2.9Å; G37-A40 PolarHBondContact O-N 3.16Å; G37-N41 WeakPolarHBondContact O-CB 3.35Å; G37-N41 PolarHBondContact O-N 3.09Å; G37-N41 PolarHBondContact O-ND2 3.26Å; G37-L72 VanDerWaalsContact C-CD1 3.45Å |
| 38 | I | 91.8 | Very high | 90 | Very high | 34 Ų | 34 | 48.7 Ų | 48.7 | 17% | 0.174 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.6 | -48.2 | 176.5 | -70.6 | 163.6 | 0 | 0 | 0 | 109.9 | A34 L35 A40 N41 V42 L72 I73 | A34-I38 VanDerWaalsContact O-CG1 3.27Å; A34-I38 WeakPolarHBondContact O-CG1 3.46Å; A34-I38 PolarHBondContact O-N 3.45Å; L35-I38 PolarHBondContact O-N 3.28Å; I38-A40 VanDerWaalsContact C-N 3.32Å; I38-A40 PolarHBondContact O-N 2.94Å; I38-N41 PolarHBondContact O-N 2.92Å; I38-V42 HydrophobicContact CG2-CG2 4.15Å; I38-V42 WeakPolarHBondContact O-CB 3.45Å; I38-V42 VanDerWaalsContact O-CG2 3.28Å; I38-V42 WeakPolarHBondContact O-CG2 3.49Å; I38-V42 PolarHBondContact O-N 2.92Å; I38-L72 HydrophobicContact CD1-CB 4Å; I38-L72 HydrophobicContact CG1-CB 3.64Å; I38-L72 HydrophobicContact CG1-CD1 3.8Å; I38-L72 HydrophobicContact CG1-CG 4.37Å; I38-I73 HydrophobicContact CD1-CG1 3.78Å; I38-I73 HydrophobicContact CG1-CG1 4.49Å |
| 39 | M | 90.2 | Very high | 89.4 | Confident | 115 Ų | 115 | 52.7 Ų | 52.7 | 57% | 0.567 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -58.7 | -44.5 | 179.2 | -72.1 | -172.5 | -63 | 0 | 0 | 111.8 | L35 L36 V42 A43 | L35-M39 WeakPolarHBondContact O-CG 3.44Å; L35-M39 PolarHBondContact O-N 3.42Å; L36-M39 HydrophobicContact CD2-CE 3.64Å; L36-M39 HydrophobicContact CG-CE 4.47Å; L36-M39 PolarHBondContact O-N 2.99Å; M39-V42 PolarHBondContact O-N 3.35Å; M39-A43 WeakPolarHBondContact O-CB 3.35Å; M39-A43 PolarHBondContact O-N 3.23Å |
| 40 | A | 86.8 | Confident | 89.1 | Confident | 33 Ų | 33 | 56.1 Ų | 56.1 | 27% | 0.273 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -65.1 | -42.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L36 G37 I38 A43 T44 P312 | L36-A40 WeakPolarHBondContact O-CB 3.28Å; L36-A40 PolarHBondContact O-N 3.15Å; G37-A40 PolarHBondContact O-N 3.16Å; I38-A40 VanDerWaalsContact C-N 3.32Å; I38-A40 PolarHBondContact O-N 2.94Å; A40-A43 PolarHBondContact O-N 2.88Å; A40-T44 WeakPolarHBondContact O-CB 3.38Å; A40-T44 PolarHBondContact O-N 3.47Å; A40-T44 PolarHBondContact O-OG1 2.98Å; A40-P312 HydrophobicContact CB-CG 3.48Å; A40-P312 VanDerWaalsContact CB-CG 3.48Å |
| 41 | N | 89.8 | Confident | 88.6 | Confident | 9 Ų | 9 | 60.5 Ų | 60.5 | 5% | 0.048 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -69.4 | -39.1 | 177.1 | -80.8 | -60.7 | 0 | 0 | 0 | 112.3 | G37 I38 T44 A45 A65 C69 V310 | G37-N41 WeakPolarHBondContact O-CB 3.35Å; G37-N41 PolarHBondContact O-N 3.09Å; G37-N41 PolarHBondContact O-ND2 3.26Å; I38-N41 PolarHBondContact O-N 2.92Å; N41-T44 WeakPolarHBondContact O-CB 3.23Å; N41-T44 PolarHBondContact O-N 3Å; N41-A45 WeakPolarHBondContact O-CB 3.43Å; N41-A45 PolarHBondContact O-N 3.33Å; N41-A65 HydrophobicContact CB-CB 4.25Å; N41-C69 WeakPolarHBondContact CB-SG 3.22Å; N41-V310 PolarHBondContact ND2-O 2.84Å; N41-V310 VanDerWaalsContact ND2-O 3.11Å |
| 42 | V | 91.4 | Very high | 88 | Confident | 66 Ų | 66 | 66.4 Ų | 66.4 | 40% | 0.4 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61 | -47.5 | 173 | 169.8 | 0 | 0 | 0 | 0 | 110.7 | I38 M39 T44 A45 L46 | I38-V42 HydrophobicContact CG2-CG2 4.15Å; I38-V42 WeakPolarHBondContact O-CB 3.45Å; I38-V42 VanDerWaalsContact O-CG2 3.28Å; I38-V42 WeakPolarHBondContact O-CG2 3.49Å; I38-V42 PolarHBondContact O-N 2.92Å; M39-V42 PolarHBondContact O-N 3.35Å; V42-T44 VanDerWaalsContact C-N 3.31Å; V42-T44 PolarHBondContact O-N 3.44Å; V42-A45 PolarHBondContact O-N 3.31Å; V42-L46 HydrophobicContact CG1-CD1 3.96Å; V42-L46 HydrophobicContact CG1-CG 4.32Å; V42-L46 VanDerWaalsContact O-CG 3.31Å; V42-L46 WeakPolarHBondContact O-CG 3.29Å; V42-L46 PolarHBondContact O-N 3.42Å |
| 43 | A | 89.1 | Confident | 87.4 | Confident | 51 Ų | 51 | 61.3 Ų | 61.3 | 42% | 0.421 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -58.1 | -44.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | M39 A40 A45 L46 V47 | M39-A43 WeakPolarHBondContact O-CB 3.35Å; M39-A43 PolarHBondContact O-N 3.23Å; A40-A43 PolarHBondContact O-N 2.88Å; A43-A45 PolarHBondContact O-N 3.1Å; A43-L46 PolarHBondContact O-N 3.46Å; A43-V47 WeakPolarHBondContact O-CG2 3.4Å; A43-V47 PolarHBondContact O-N 3.24Å |
| 44 | T | 86 | Confident | 86.8 | Confident | 16 Ų | 16 | 67.6 Ų | 67.6 | 10% | 0.098 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -57.8 | -48.7 | 175.5 | -59.2 | 0 | 0 | 0 | 0 | 111.3 | A40 N41 V42 L46 V47 L48 A65 | A40-T44 WeakPolarHBondContact O-CB 3.38Å; A40-T44 PolarHBondContact O-N 3.47Å; A40-T44 PolarHBondContact O-OG1 2.98Å; N41-T44 WeakPolarHBondContact O-CB 3.23Å; N41-T44 PolarHBondContact O-N 3Å; V42-T44 VanDerWaalsContact C-N 3.31Å; V42-T44 PolarHBondContact O-N 3.44Å; T44-L46 VanDerWaalsContact C-N 3.32Å; T44-L46 PolarHBondContact O-N 2.99Å; T44-V47 PolarHBondContact O-N 3.21Å; T44-L48 HydrophobicContact CG2-CD1 3.79Å; T44-L48 HydrophobicContact CG2-CG 4.41Å; T44-L48 WeakPolarHBondContact O-CB 3.46Å; T44-L48 VanDerWaalsContact O-CG 3.23Å; T44-L48 WeakPolarHBondContact O-CG 3.47Å; T44-L48 PolarHBondContact O-N 3.17Å; T44-A65 HydrophobicContact CG2-CB 4.35Å |
| 45 | A | 88.5 | Confident | 86.4 | Confident | 19 Ų | 19 | 69.5 Ų | 69.5 | 16% | 0.157 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -62.2 | -38 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | N41 V42 A43 K49 K62 A65 | N41-A45 WeakPolarHBondContact O-CB 3.43Å; N41-A45 PolarHBondContact O-N 3.33Å; V42-A45 PolarHBondContact O-N 3.31Å; A43-A45 PolarHBondContact O-N 3.1Å; A45-K49 PolarHBondContact O-N 3.01Å; A45-K49 VanDerWaalsContact O-N 3.17Å; A45-K62 HydrophobicContact CB-CG 4.44Å; A45-A65 HydrophobicContact CB-CB 4.2Å |
| 46 | L | 88.6 | Confident | 85.9 | Confident | 110 Ų | 110 | 66.1 Ų | 66.1 | 58% | 0.576 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -68.4 | -44 | 177.5 | -70.3 | 175.5 | 0 | 0 | 0 | 112.2 | V42 A43 T44 K49 | V42-L46 HydrophobicContact CG1-CD1 3.96Å; V42-L46 HydrophobicContact CG1-CG 4.32Å; V42-L46 VanDerWaalsContact O-CG 3.31Å; V42-L46 WeakPolarHBondContact O-CG 3.29Å; V42-L46 PolarHBondContact O-N 3.42Å; A43-L46 PolarHBondContact O-N 3.46Å; T44-L46 VanDerWaalsContact C-N 3.32Å; T44-L46 PolarHBondContact O-N 2.99Å; L46-K49 WeakPolarHBondContact O-CB 3.41Å; L46-K49 PolarHBondContact O-N 3.33Å |
| 47 | V | 87.2 | Confident | 85.6 | Confident | 33 Ų | 33 | 63.2 Ų | 63.2 | 20% | 0.2 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.1 | -46.6 | 176.1 | 170.4 | 0 | 0 | 0 | 0 | 110.5 | A43 T44 K49 R50 I320 | A43-V47 WeakPolarHBondContact O-CG2 3.4Å; A43-V47 PolarHBondContact O-N 3.24Å; T44-V47 PolarHBondContact O-N 3.21Å; V47-K49 PolarHBondContact O-N 3.42Å; V47-R50 WeakPolarHBondContact O-CG 3.5Å; V47-R50 PolarHBondContact O-N 3.37Å; V47-I320 HydrophobicContact CG1-CD1 4.27Å; V47-I320 HydrophobicContact CG1-CG1 4.23Å; V47-I320 HydrophobicContact CG1-CG2 4.09Å |
| 48 | L | 84.6 | Confident | 85.5 | Confident | 16 Ų | 16 | 64.2 Ų | 64.2 | 8% | 0.084 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | -8.4 | -179.6 | -63.1 | 176.2 | 0 | 0 | 0 | 114 | T44 R50 M53 N58 L61 K62 | T44-L48 HydrophobicContact CG2-CD1 3.79Å; T44-L48 HydrophobicContact CG2-CG 4.41Å; T44-L48 WeakPolarHBondContact O-CB 3.46Å; T44-L48 VanDerWaalsContact O-CG 3.23Å; T44-L48 WeakPolarHBondContact O-CG 3.47Å; T44-L48 PolarHBondContact O-N 3.17Å; L48-R50 VanDerWaalsContact C-N 3.3Å; L48-M53 HydrophobicContact CD2-CE 3.9Å; L48-N58 HydrophobicContact CD2-CB 3.97Å; L48-L61 HydrophobicContact CD1-CB 3.52Å; L48-K62 HydrophobicContact CB-CB 4.29Å; L48-K62 HydrophobicContact CD1-CB 4.32Å |
| 49 | K | 83.5 | Confident | 85.4 | Confident | 153 Ų | 153 | 63.5 Ų | 63.5 | 67% | 0.665 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -20.1 | 175.5 | -166.6 | 178.3 | 176.1 | -176.3 | 0 | 112.6 | A45 L46 V47 | A45-K49 PolarHBondContact O-N 3.01Å; A45-K49 VanDerWaalsContact O-N 3.17Å; L46-K49 WeakPolarHBondContact O-CB 3.41Å; L46-K49 PolarHBondContact O-N 3.33Å; V47-K49 PolarHBondContact O-N 3.42Å |
| 50 | R | 85.3 | Confident | 85.3 | Confident | 139 Ų | 139 | 58.9 Ų | 58.9 | 53% | 0.525 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -58.5 | 140.9 | -176.2 | -67.1 | 177.6 | -177.8 | -178.6 | 1.3 | 111.6 | V47 L48 N52 M53 | V47-R50 WeakPolarHBondContact O-CG 3.5Å; V47-R50 PolarHBondContact O-N 3.37Å; L48-R50 VanDerWaalsContact C-N 3.3Å; R50-N52 VanDerWaalsContact C-N 3.25Å; R50-N52 PolarHBondContact O-N 3.45Å; R50-M53 HydrophobicContact CB-CG 4.23Å; R50-M53 WeakPolarHBondContact O-CB 3.35Å; R50-M53 PolarHBondContact O-N 3.04Å |
| 51 | P | 79.9 | Confident | 85.3 | Confident | 91 Ų | 91 | 58.3 Ų | 58.3 | 59% | 0.591 | 30% | 0.301 | S | S | * | . | G | 310 helix | trans | -55.1 | -37.9 | -175.7 | -26.4 | 34.2 | 0 | 0 | 0 | 114.3 | M53 R54 | P51-M53 PolarHBondContact O-N 3.08Å; P51-R54 WeakPolarHBondContact O-CG 3.5Å; P51-R54 PolarHBondContact O-N 3.37Å |
| 52 | N | 81.1 | Confident | 85.3 | Confident | 158 Ų | 158 | 61.1 Ų | 61.1 | 85% | 0.845 | 31% | 0.313 | S | S | * | . | G | 310 helix | trans | -68.7 | -13.3 | -179.6 | -61.5 | -5.8 | 0 | 0 | 0 | 113 | R50 | R50-N52 VanDerWaalsContact C-N 3.25Å; R50-N52 PolarHBondContact O-N 3.45Å |
| 53 | M | 79.3 | Confident | 85.3 | Confident | 24 Ų | 24 | 58.5 Ų | 58.5 | 12% | 0.118 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -98.8 | 13.3 | -177.5 | -63.3 | -62.1 | -86.9 | 0 | 0 | 113.2 | L48 R50 P51 S55 N58 V323 | L48-M53 HydrophobicContact CD2-CE 3.9Å; R50-M53 HydrophobicContact CB-CG 4.23Å; R50-M53 WeakPolarHBondContact O-CB 3.35Å; R50-M53 PolarHBondContact O-N 3.04Å; P51-M53 PolarHBondContact O-N 3.08Å; M53-S55 PolarHBondContact O-N 3.5Å; M53-N58 WeakPolarHBondContact O-CB 3.39Å; M53-N58 PolarHBondContact O-ND2 2.92Å; M53-V323 HydrophobicContact CE-CG1 4.5Å; M53-V323 HydrophobicContact CE-CG2 4.2Å; M53-V323 HydrophobicContact SD-CG1 3.83Å; M53-V323 HydrophobicContact SD-CG2 4.28Å |
| 54 | R | 78 | Confident | 85.4 | Confident | 186 Ų | 186 | 56.9 Ų | 56.9 | 70% | 0.702 | 28% | 0.282 | S | S | * | . | trans | -76.6 | 51.2 | -176.5 | -69.9 | 178.6 | 177.9 | 179.6 | 2.2 | 114.1 | P51 | P51-R54 WeakPolarHBondContact O-CG 3.5Å; P51-R54 PolarHBondContact O-N 3.37Å | ||
| 55 | S | 82.7 | Confident | 85.7 | Confident | 40 Ų | 40 | 56.2 Ų | 56.2 | 28% | 0.28 | 28% | 0.278 | S | S | . | . | trans | -90.1 | 156.3 | 172.2 | 75.7 | 0 | 0 | 0 | 0 | 111.7 | M53 S57 N58 I59 | M53-S55 PolarHBondContact O-N 3.5Å; S55-S57 VanDerWaalsContact C-N 3.31Å; S55-S57 PolarHBondContact O-N 3.34Å; S55-N58 PolarHBondContact O-N 3.22Å; S55-N58 WeakPolarHBondContact OG-CB 3.49Å; S55-N58 PolarHBondContact OG-N 2.97Å; S55-N58 PolarHBondContact OG-ND2 3.24Å; S55-I59 WeakPolarHBondContact O-CG1 3.28Å; S55-I59 PolarHBondContact O-N 3.45Å | ||
| 56 | P | 81.8 | Confident | 85.8 | Confident | 22 Ų | 22 | 60.4 Ų | 60.4 | 14% | 0.143 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -49.6 | -48.1 | 172.6 | -27 | 33 | 0 | 0 | 0 | 113.4 | N58 I59 Y60 C140 V142 T145 | P56-N58 PolarHBondContact O-N 3.38Å; P56-I59 PolarHBondContact O-N 3.49Å; P56-Y60 WeakPolarHBondContact O-CD2 3.47Å; P56-Y60 PolarHBondContact O-N 3.45Å; P56-Y60 VanDerWaalsContact O-N 3.17Å; P56-C140 WeakPolarHBondContact CG-O 3.48Å; P56-V142 HydrophobicContact CG-CG2 4.36Å; P56-T145 WeakPolarHBondContact CB-OG1 3.27Å |
| 57 | S | 83 | Confident | 86 | Confident | 12 Ų | 12 | 56 Ų | 56 | 8% | 0.084 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.8 | -45.5 | 179.8 | -42 | 0 | 0 | 0 | 0 | 111.5 | S55 I59 Y60 L61 E125 R126 | S55-S57 VanDerWaalsContact C-N 3.31Å; S55-S57 PolarHBondContact O-N 3.34Å; S57-I59 VanDerWaalsContact C-N 3.27Å; S57-I59 PolarHBondContact O-N 3.03Å; S57-Y60 PolarHBondContact O-N 3.27Å; S57-Y60 VanDerWaalsContact O-N 3.15Å; S57-L61 WeakPolarHBondContact O-CG 3.32Å; S57-L61 PolarHBondContact O-N 3.48Å; S57-E125 WeakPolarHBondContact CB-OE2 3.35Å; S57-E125 PolarHBondContact OG-OE1 2.81Å; S57-E125 PolarHBondContact OG-OE2 2.9Å; S57-R126 PolarHBondContact OG-NE 3.15Å; S57-R126 PolarHBondContact OG-NH2 3.36Å |
| 58 | N | 86 | Confident | 86.3 | Confident | 21 Ų | 21 | 55 Ų | 55 | 11% | 0.112 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -67.1 | -29.4 | -179.7 | -69.8 | -6.7 | 0 | 0 | 0 | 112.5 | L48 M53 S55 P56 K62 | L48-N58 HydrophobicContact CD2-CB 3.97Å; M53-N58 WeakPolarHBondContact O-CB 3.39Å; M53-N58 PolarHBondContact O-ND2 2.92Å; S55-N58 PolarHBondContact O-N 3.22Å; S55-N58 WeakPolarHBondContact OG-CB 3.49Å; S55-N58 PolarHBondContact OG-N 2.97Å; S55-N58 PolarHBondContact OG-ND2 3.24Å; P56-N58 PolarHBondContact O-N 3.38Å; N58-K62 VanDerWaalsContact O-CB 3.29Å; N58-K62 WeakPolarHBondContact O-CB 3.35Å; N58-K62 PolarHBondContact O-N 3.3Å |
| 59 | I | 89.7 | Confident | 86.7 | Confident | 20 Ų | 20 | 55.1 Ų | 55.1 | 10% | 0.103 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -67.2 | -43.5 | 173.1 | -66.3 | 169.5 | 0 | 0 | 0 | 110.5 | S55 P56 S57 K62 A63 V142 T145 I149 | S55-I59 WeakPolarHBondContact O-CG1 3.28Å; S55-I59 PolarHBondContact O-N 3.45Å; P56-I59 PolarHBondContact O-N 3.49Å; S57-I59 VanDerWaalsContact C-N 3.27Å; S57-I59 PolarHBondContact O-N 3.03Å; I59-K62 PolarHBondContact O-N 2.94Å; I59-A63 PolarHBondContact O-N 3.5Å; I59-V142 HydrophobicContact CD1-CB 4.11Å; I59-V142 HydrophobicContact CD1-CG1 3.51Å; I59-V142 HydrophobicContact CD1-CG2 3.81Å; I59-T145 HydrophobicContact CB-CG2 3.93Å; I59-T145 HydrophobicContact CG2-CG2 3.7Å; I59-I149 HydrophobicContact CG2-CD1 3.71Å |
| 60 | Y | 88.8 | Confident | 87.2 | Confident | 18 Ų | 18 | 52.2 Ų | 52.2 | 7% | 0.071 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.8 | -46.2 | 173.4 | -75.2 | -67 | 0 | 0 | 0 | 111.9 | P56 S57 K62 A63 L64 V122 E125 T145 V148 I149 | P56-Y60 WeakPolarHBondContact O-CD2 3.47Å; P56-Y60 PolarHBondContact O-N 3.45Å; P56-Y60 VanDerWaalsContact O-N 3.17Å; S57-Y60 PolarHBondContact O-N 3.27Å; S57-Y60 VanDerWaalsContact O-N 3.15Å; Y60-K62 VanDerWaalsContact C-N 3.3Å; Y60-K62 PolarHBondContact O-N 2.88Å; Y60-A63 CarbonylContact O-C 3.53Å; Y60-A63 WeakPolarHBondContact O-CB 3.35Å; Y60-A63 PolarHBondContact O-N 3.31Å; Y60-A63 VanDerWaalsContact O-N 3.08Å; Y60-L64 WeakPolarHBondContact O-CB 3.39Å; Y60-L64 PolarHBondContact O-N 3.39Å; Y60-V122 VanDerWaalsContact CB-CG2 3.42Å; Y60-V122 HydrophobicContact CG-CG2 4.18Å; Y60-E125 HydrophobicContact CD2-CB 4.39Å; Y60-E125 HydrophobicContact CD2-CG 4.46Å; Y60-E125 HydrophobicContact CE2-CB 4.02Å; Y60-E125 HydrophobicContact CE2-CG 4.12Å; Y60-T145 HydrophobicContact CD1-CG2 4.18Å; Y60-T145 HydrophobicContact CD2-CG2 3.76Å; Y60-T145 HydrophobicContact CE1-CG2 4.02Å; Y60-T145 HydrophobicContact CE2-CG2 3.61Å; Y60-T145 HydrophobicContact CG-CG2 4.04Å; Y60-V148 HydrophobicContact CE1-CB 4.42Å; Y60-V148 HydrophobicContact CE1-CG1 4.05Å; Y60-V148 WeakPolarHBondContact OH-CB 3.33Å; Y60-V148 WeakPolarHBondContact OH-CG1 3.29Å; Y60-I149 HydrophobicContact CD1-CD1 3.78Å; Y60-I149 HydrophobicContact CD1-CG1 3.52Å; Y60-I149 HydrophobicContact CE1-CD1 4.15Å; Y60-I149 HydrophobicContact CE1-CG1 3.59Å; Y60-I149 HydrophobicContact CG-CD1 4.4Å |
| 61 | L | 87.5 | Confident | 87.6 | Confident | 20 Ų | 20 | 45.7 Ų | 45.7 | 11% | 0.105 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.5 | -38.4 | 179.3 | -69.5 | 178.1 | 0 | 0 | 0 | 112.5 | L48 S57 L64 A65 V122 F316 | L48-L61 HydrophobicContact CD1-CB 3.52Å; S57-L61 WeakPolarHBondContact O-CG 3.32Å; S57-L61 PolarHBondContact O-N 3.48Å; L61-L64 WeakPolarHBondContact O-CB 3.33Å; L61-L64 PolarHBondContact O-N 3.09Å; L61-A65 WeakPolarHBondContact O-CB 3.48Å; L61-A65 PolarHBondContact O-N 2.88Å; L61-V122 HydrophobicContact CD2-CG1 4.22Å; L61-V122 HydrophobicContact CD2-CG2 4.24Å; L61-F316 HydrophobicContact CD1-CD1 4.38Å; L61-F316 HydrophobicContact CD1-CE1 3.68Å; L61-F316 HydrophobicContact CD2-CE1 3.39Å; L61-F316 HydrophobicContact CD2-CZ 3.44Å; L61-F316 VanDerWaalsContact CD2-CZ 3.44Å; L61-F316 HydrophobicContact CG-CE1 4.12Å |
| 62 | K | 89.1 | Confident | 88.3 | Confident | 69 Ų | 69 | 41.5 Ų | 41.5 | 30% | 0.3 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -65.8 | -41.1 | 173.4 | -174.9 | -178.7 | 65.5 | -179.7 | 0 | 111.7 | A45 L48 N58 I59 Y60 L64 A65 M66 | A45-K62 HydrophobicContact CB-CG 4.44Å; L48-K62 HydrophobicContact CB-CB 4.29Å; L48-K62 HydrophobicContact CD1-CB 4.32Å; N58-K62 VanDerWaalsContact O-CB 3.29Å; N58-K62 WeakPolarHBondContact O-CB 3.35Å; N58-K62 PolarHBondContact O-N 3.3Å; I59-K62 PolarHBondContact O-N 2.94Å; Y60-K62 VanDerWaalsContact C-N 3.3Å; Y60-K62 PolarHBondContact O-N 2.88Å; K62-L64 VanDerWaalsContact C-N 3.33Å; K62-A65 PolarHBondContact O-N 3.5Å; K62-M66 HydrophobicContact CG-CE 4.46Å; K62-M66 WeakPolarHBondContact O-CG 3.42Å; K62-M66 PolarHBondContact O-N 3.36Å; K62-M66 VanDerWaalsContact O-N 3.11Å |
| 63 | A | 92.1 | Very high | 89 | Confident | 10 Ų | 10 | 37.7 Ų | 37.7 | 8% | 0.083 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.1 | -40.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | I59 Y60 M66 C67 I118 I149 | I59-A63 PolarHBondContact O-N 3.5Å; Y60-A63 CarbonylContact O-C 3.53Å; Y60-A63 WeakPolarHBondContact O-CB 3.35Å; Y60-A63 PolarHBondContact O-N 3.31Å; Y60-A63 VanDerWaalsContact O-N 3.08Å; A63-M66 HydrophobicContact CB-CE 4.49Å; A63-M66 PolarHBondContact O-N 3.46Å; A63-C67 WeakPolarHBondContact O-CB 3.42Å; A63-C67 PolarHBondContact O-N 3.43Å; A63-I118 HydrophobicContact CB-CD1 4.18Å; A63-I149 HydrophobicContact CB-CD1 3.88Å; A63-I149 HydrophobicContact CB-CG1 4.38Å; A63-I149 HydrophobicContact CB-CG2 3.87Å |
| 64 | L | 90.8 | Very high | 89.7 | Confident | 17 Ų | 17 | 36.8 Ų | 36.8 | 9% | 0.089 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.2 | -52.9 | 174.7 | -174.6 | 57.4 | 0 | 0 | 0 | 110.7 | Y60 L61 K62 M66 C67 D68 S115 I118 T119 | Y60-L64 WeakPolarHBondContact O-CB 3.39Å; Y60-L64 PolarHBondContact O-N 3.39Å; L61-L64 WeakPolarHBondContact O-CB 3.33Å; L61-L64 PolarHBondContact O-N 3.09Å; K62-L64 VanDerWaalsContact C-N 3.33Å; L64-M66 VanDerWaalsContact C-N 3.29Å; L64-M66 PolarHBondContact O-N 2.89Å; L64-C67 CarbonylContact O-C 3.07Å; L64-C67 WeakPolarHBondContact O-CA 3.46Å; L64-C67 WeakPolarHBondContact O-CB 3.45Å; L64-C67 PolarHBondContact O-N 2.93Å; L64-D68 WeakPolarHBondContact O-CB 3.35Å; L64-D68 VanDerWaalsContact O-CG 3.32Å; L64-D68 PolarHBondContact O-N 3.36Å; L64-S115 WeakPolarHBondContact CD1-O 3.4Å; L64-S115 WeakPolarHBondContact CD1-OG 3.35Å; L64-I118 HydrophobicContact CB-CG2 3.73Å; L64-I118 HydrophobicContact CD1-CB 4.27Å; L64-I118 HydrophobicContact CD1-CG2 4.14Å; L64-I118 HydrophobicContact CG-CG2 4.45Å; L64-T119 WeakPolarHBondContact CD1-OG1 3.36Å |
| 65 | A | 91.2 | Very high | 90.4 | Very high | 2 Ų | 2 | 27.9 Ų | 27.9 | 2% | 0.017 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -57.5 | -39.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113 | N41 T44 A45 L61 K62 C69 | N41-A65 HydrophobicContact CB-CB 4.25Å; T44-A65 HydrophobicContact CG2-CB 4.35Å; A45-A65 HydrophobicContact CB-CB 4.2Å; L61-A65 WeakPolarHBondContact O-CB 3.48Å; L61-A65 PolarHBondContact O-N 2.88Å; K62-A65 PolarHBondContact O-N 3.5Å; A65-C69 PolarHBondContact O-N 3.48Å; A65-C69 PolarHBondContact O-SG 2.75Å |
| 66 | M | 92.4 | Very high | 91 | Very high | 107 Ų | 107 | 27.3 Ų | 27.3 | 53% | 0.527 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -66.6 | -41.6 | 174.6 | -68.9 | -175.8 | -58.5 | 0 | 0 | 112.2 | K62 A63 L64 D68 F70 | K62-M66 HydrophobicContact CG-CE 4.46Å; K62-M66 WeakPolarHBondContact O-CG 3.42Å; K62-M66 PolarHBondContact O-N 3.36Å; K62-M66 VanDerWaalsContact O-N 3.11Å; A63-M66 HydrophobicContact CB-CE 4.49Å; A63-M66 PolarHBondContact O-N 3.46Å; L64-M66 VanDerWaalsContact C-N 3.29Å; L64-M66 PolarHBondContact O-N 2.89Å; M66-D68 VanDerWaalsContact C-N 3.34Å; M66-F70 PolarHBondContact O-N 2.94Å; M66-F70 VanDerWaalsContact O-N 3.11Å |
| 67 | C | 92.7 | Very high | 91.6 | Very high | 19 Ų | 19 | 29.4 Ų | 29.4 | 13% | 0.128 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -64.2 | -40.9 | 177.7 | -159.5 | 0 | 0 | 0 | 0 | 111.4 | A63 L64 F70 L71 A111 S115 I118 | A63-C67 WeakPolarHBondContact O-CB 3.42Å; A63-C67 PolarHBondContact O-N 3.43Å; L64-C67 CarbonylContact O-C 3.07Å; L64-C67 WeakPolarHBondContact O-CA 3.46Å; L64-C67 WeakPolarHBondContact O-CB 3.45Å; L64-C67 PolarHBondContact O-N 2.93Å; C67-F70 PolarHBondContact O-N 3.23Å; C67-L71 WeakPolarHBondContact O-CB 3.36Å; C67-L71 PolarHBondContact O-N 2.86Å; C67-A111 PolarHBondContact SG-O 2.87Å; C67-S115 PolarHBondContact SG-N 3.29Å; C67-S115 VanDerWaalsContact SG-N 3.39Å; C67-I118 HydrophobicContact CB-CD1 4.2Å |
| 68 | D | 92.5 | Very high | 92.1 | Very high | 11 Ų | 11 | 29.1 Ų | 29.1 | 6% | 0.059 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -68.3 | -41.1 | 178.8 | -71.1 | -11.1 | 0 | 0 | 0 | 111.9 | L64 M66 F70 L71 L72 S115 V310 | L64-D68 WeakPolarHBondContact O-CB 3.35Å; L64-D68 VanDerWaalsContact O-CG 3.32Å; L64-D68 PolarHBondContact O-N 3.36Å; M66-D68 VanDerWaalsContact C-N 3.34Å; D68-F70 VanDerWaalsContact C-N 3.31Å; D68-F70 PolarHBondContact O-N 3.01Å; D68-L71 PolarHBondContact O-N 3.44Å; D68-L72 WeakPolarHBondContact O-CB 3.47Å; D68-L72 VanDerWaalsContact O-CG 3.32Å; D68-L72 WeakPolarHBondContact O-CG 3.33Å; D68-L72 PolarHBondContact O-N 3.32Å; D68-S115 VanDerWaalsContact OD1-CB 3.24Å; D68-S115 WeakPolarHBondContact OD1-CB 3.28Å; D68-S115 PolarHBondContact OD1-OG 3.49Å; D68-V310 HydrophobicContact CB-CB 4.02Å; D68-V310 HydrophobicContact CB-CG1 4.1Å |
| 69 | C | 93.4 | Very high | 92.5 | Very high | 18 Ų | 18 | 29.3 Ų | 29.3 | 12% | 0.122 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -57.2 | -46.5 | 170.2 | -74.1 | 0 | 0 | 0 | 0 | 111.4 | N41 A65 L72 I73 | N41-C69 WeakPolarHBondContact CB-SG 3.22Å; A65-C69 PolarHBondContact O-N 3.48Å; A65-C69 PolarHBondContact O-SG 2.75Å; C69-L72 PolarHBondContact O-N 3.05Å; C69-I73 WeakPolarHBondContact O-CD1 3.25Å; C69-I73 VanDerWaalsContact O-CG1 3.23Å; C69-I73 WeakPolarHBondContact O-CG1 3.5Å; C69-I73 PolarHBondContact O-N 2.98Å |
| 70 | F | 94.7 | Very high | 92.7 | Very high | 93 Ų | 93 | 28.5 Ų | 28.5 | 41% | 0.408 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -65.8 | -40.5 | -179.8 | -173.3 | -112.5 | 0 | 0 | 0 | 112 | M66 C67 D68 I73 T74 L107 A111 | M66-F70 PolarHBondContact O-N 2.94Å; M66-F70 VanDerWaalsContact O-N 3.11Å; C67-F70 PolarHBondContact O-N 3.23Å; D68-F70 VanDerWaalsContact C-N 3.31Å; D68-F70 PolarHBondContact O-N 3.01Å; F70-I73 PolarHBondContact O-N 3.32Å; F70-T74 HydrophobicContact CD2-CG2 4.48Å; F70-T74 HydrophobicContact CE1-CG2 4.15Å; F70-T74 HydrophobicContact CE2-CG2 4.11Å; F70-T74 HydrophobicContact CZ-CG2 3.93Å; F70-T74 WeakPolarHBondContact O-CG2 3.38Å; F70-T74 PolarHBondContact O-N 2.92Å; F70-T74 PolarHBondContact O-OG1 3.23Å; F70-L107 HydrophobicContact CE1-CB 4.21Å; F70-L107 HydrophobicContact CE1-CD2 4.49Å; F70-L107 HydrophobicContact CZ-CB 4.18Å; F70-L107 HydrophobicContact CZ-CD1 4.38Å; F70-L107 HydrophobicContact CZ-CD2 4.36Å; F70-A111 HydrophobicContact CD1-CB 3.6Å; F70-A111 HydrophobicContact CE1-CB 4.13Å |
| 71 | L | 93.7 | Very high | 93 | Very high | 2 Ų | 2 | 28.7 Ų | 28.7 | 1% | 0.01 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60.6 | -46.1 | 173.4 | 174.9 | 57 | 0 | 0 | 0 | 111.7 | C67 D68 T74 A75 A111 Q112 K306 V310 | C67-L71 WeakPolarHBondContact O-CB 3.36Å; C67-L71 PolarHBondContact O-N 2.86Å; D68-L71 PolarHBondContact O-N 3.44Å; L71-T74 PolarHBondContact O-N 3.4Å; L71-T74 PolarHBondContact O-OG1 3.42Å; L71-A75 VanDerWaalsContact O-CB 3.25Å; L71-A75 WeakPolarHBondContact O-CB 3.26Å; L71-A75 PolarHBondContact O-N 2.96Å; L71-A111 HydrophobicContact CB-CB 3.96Å; L71-A111 HydrophobicContact CD1-CB 4.37Å; L71-Q112 HydrophobicContact CD1-CB 3.96Å; L71-Q112 HydrophobicContact CD2-CB 4.14Å; L71-Q112 HydrophobicContact CD2-CG 4.43Å; L71-K306 HydrophobicContact CD1-CD 4.16Å; L71-V310 HydrophobicContact CD2-CG1 3.4Å; L71-V310 HydrophobicContact CG-CG1 4.18Å |
| 72 | L | 93.5 | Very high | 93.4 | Very high | 2 Ų | 2 | 29.5 Ų | 29.5 | 1% | 0.01 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.9 | -45 | 178.8 | -76.8 | 173.5 | 0 | 0 | 0 | 112.4 | A34 G37 I38 D68 C69 A75 V76 L307 V310 | A34-L72 HydrophobicContact CB-CD2 4.07Å; G37-L72 VanDerWaalsContact C-CD1 3.45Å; I38-L72 HydrophobicContact CD1-CB 4Å; I38-L72 HydrophobicContact CG1-CB 3.64Å; I38-L72 HydrophobicContact CG1-CD1 3.8Å; I38-L72 HydrophobicContact CG1-CG 4.37Å; D68-L72 WeakPolarHBondContact O-CB 3.47Å; D68-L72 VanDerWaalsContact O-CG 3.32Å; D68-L72 WeakPolarHBondContact O-CG 3.33Å; D68-L72 PolarHBondContact O-N 3.32Å; C69-L72 PolarHBondContact O-N 3.05Å; L72-A75 PolarHBondContact O-N 2.92Å; L72-V76 WeakPolarHBondContact O-CG2 3.28Å; L72-V76 PolarHBondContact O-N 2.86Å; L72-L307 HydrophobicContact CD2-CD2 3.4Å; L72-V310 HydrophobicContact CD1-CB 4.5Å; L72-V310 HydrophobicContact CD1-CG2 3.8Å; L72-V310 HydrophobicContact CD2-CG2 3.26Å; L72-V310 HydrophobicContact CG-CB 4.34Å; L72-V310 HydrophobicContact CG-CG2 3.48Å; L72-V310 VanDerWaalsContact CG-CG2 3.48Å |
| 73 | I | 95.1 | Very high | 93.7 | Very high | 78 Ų | 78 | 26.3 Ų | 26.3 | 40% | 0.4 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -60.8 | -50.2 | 177.4 | -68.6 | 164.3 | 0 | 0 | 0 | 110.1 | I38 C69 F70 A75 V76 L77 | I38-I73 HydrophobicContact CD1-CG1 3.78Å; I38-I73 HydrophobicContact CG1-CG1 4.49Å; C69-I73 WeakPolarHBondContact O-CD1 3.25Å; C69-I73 VanDerWaalsContact O-CG1 3.23Å; C69-I73 WeakPolarHBondContact O-CG1 3.5Å; C69-I73 PolarHBondContact O-N 2.98Å; F70-I73 PolarHBondContact O-N 3.32Å; I73-A75 VanDerWaalsContact C-N 3.31Å; I73-A75 PolarHBondContact O-N 2.87Å; I73-V76 PolarHBondContact O-N 3.45Å; I73-L77 HydrophobicContact CG2-CD1 4.02Å; I73-L77 HydrophobicContact CG2-CG 4.47Å; I73-L77 WeakPolarHBondContact O-CG 3.46Å; I73-L77 PolarHBondContact O-N 3.46Å |
| 74 | T | 94.8 | Very high | 93.9 | Very high | 5 Ų | 5 | 27.7 Ų | 27.7 | 3% | 0.031 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -64.9 | -34.6 | 179.6 | 54.9 | 0 | 0 | 0 | 0 | 112.5 | F70 L71 L77 L78 S108 | F70-T74 HydrophobicContact CD2-CG2 4.48Å; F70-T74 HydrophobicContact CE1-CG2 4.15Å; F70-T74 HydrophobicContact CE2-CG2 4.11Å; F70-T74 HydrophobicContact CZ-CG2 3.93Å; F70-T74 WeakPolarHBondContact O-CG2 3.38Å; F70-T74 PolarHBondContact O-N 2.92Å; F70-T74 PolarHBondContact O-OG1 3.23Å; L71-T74 PolarHBondContact O-N 3.4Å; L71-T74 PolarHBondContact O-OG1 3.42Å; T74-L77 PolarHBondContact O-N 3.2Å; T74-L78 WeakPolarHBondContact O-CB 3.45Å; T74-L78 VanDerWaalsContact O-CG 3.3Å; T74-L78 WeakPolarHBondContact O-CG 3.4Å; T74-L78 PolarHBondContact O-N 2.87Å; T74-S108 WeakPolarHBondContact OG1-CA 3.29Å; T74-S108 WeakPolarHBondContact OG1-CB 3.38Å; T74-S108 PolarHBondContact OG1-OG 3.49Å |
| 75 | A | 92.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -63.9 | -45.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L71 L72 I73 L78 Y79 F303 K306 | L71-A75 VanDerWaalsContact O-CB 3.25Å; L71-A75 WeakPolarHBondContact O-CB 3.26Å; L71-A75 PolarHBondContact O-N 2.96Å; L72-A75 PolarHBondContact O-N 2.92Å; I73-A75 VanDerWaalsContact C-N 3.31Å; I73-A75 PolarHBondContact O-N 2.87Å; A75-L78 PolarHBondContact O-N 3.22Å; A75-Y79 HydrophobicContact CB-CD2 4.32Å; A75-Y79 HydrophobicContact CB-CE2 4.5Å; A75-Y79 WeakPolarHBondContact O-CD2 3.36Å; A75-Y79 PolarHBondContact O-N 2.82Å; A75-F303 HydrophobicContact CB-CD2 4.09Å; A75-F303 HydrophobicContact CB-CE2 3.96Å; A75-K306 HydrophobicContact CB-CD 4.34Å |
| 76 | V | 94.6 | Very high | 94.4 | Very high | 28 Ų | 28 | 27 Ų | 27 | 17% | 0.17 | 14% | 0.139 | C | C | . | . | I | π-helix | trans | -61.9 | -45.1 | 175.5 | 171.2 | 0 | 0 | 0 | 0 | 111 | T31 A34 L72 I73 L78 S80 V81 | T31-V76 HydrophobicContact CG2-CG1 3.99Å; T31-V76 HydrophobicContact CG2-CG2 4.37Å; A34-V76 HydrophobicContact CB-CG2 3.4Å; A34-V76 VanDerWaalsContact CB-CG2 3.4Å; L72-V76 WeakPolarHBondContact O-CG2 3.28Å; L72-V76 PolarHBondContact O-N 2.86Å; I73-V76 PolarHBondContact O-N 3.45Å; V76-L78 VanDerWaalsContact C-N 3.26Å; V76-L78 PolarHBondContact O-N 3.38Å; V76-S80 VanDerWaalsContact O-CB 3.28Å; V76-S80 WeakPolarHBondContact O-CB 3.36Å; V76-S80 PolarHBondContact O-N 3.19Å; V76-V81 PolarHBondContact O-N 3Å |
| 77 | L | 95.6 | Very high | 94.6 | Very high | 65 Ų | 65 | 25.4 Ų | 25.4 | 34% | 0.34 | 13% | 0.128 | S | C | . | . | I | π-helix | trans | -62.1 | -33.9 | 179.3 | -71.7 | 176.7 | 0 | 0 | 0 | 113 | I73 T74 V81 W97 Y100 | I73-L77 HydrophobicContact CG2-CD1 4.02Å; I73-L77 HydrophobicContact CG2-CG 4.47Å; I73-L77 WeakPolarHBondContact O-CG 3.46Å; I73-L77 PolarHBondContact O-N 3.46Å; T74-L77 PolarHBondContact O-N 3.2Å; L77-V81 HydrophobicContact CD2-CG2 4.49Å; L77-W97 PolarHBondContact O-NE1 3.4Å; L77-Y100 HydrophobicContact CB-CE2 4.02Å; L77-Y100 WeakPolarHBondContact O-CE2 3.5Å; L77-Y100 PolarHBondContact O-OH 3.43Å |
| 78 | L | 94.1 | Very high | 94.8 | Very high | 7 Ų | 7 | 30.7 Ų | 30.7 | 4% | 0.037 | 15% | 0.149 | C | C | . | . | I | π-helix | trans | -77.5 | -60.2 | 177.5 | -74.6 | 169.2 | 0 | 0 | 0 | 111.4 | T74 A75 V76 E82 W97 V101 C104 | T74-L78 WeakPolarHBondContact O-CB 3.45Å; T74-L78 VanDerWaalsContact O-CG 3.3Å; T74-L78 WeakPolarHBondContact O-CG 3.4Å; T74-L78 PolarHBondContact O-N 2.87Å; A75-L78 PolarHBondContact O-N 3.22Å; V76-L78 VanDerWaalsContact C-N 3.26Å; V76-L78 PolarHBondContact O-N 3.38Å; L78-E82 WeakPolarHBondContact O-CB 3.46Å; L78-W97 PolarHBondContact O-NE1 3.31Å; L78-V101 HydrophobicContact CD2-CG2 3.85Å; L78-C104 HydrophobicContact CD2-CB 3.92Å; L78-C104 HydrophobicContact CG-CB 4.21Å |
| 79 | Y | 93.1 | Very high | 94.9 | Very high | 25 Ų | 25 | 36 Ų | 36 | 10% | 0.098 | 17% | 0.174 | C | C | . | . | I | π-helix | trans | -92.8 | -36.7 | -164.7 | -56.2 | -69 | 0 | 0 | 0 | 113.7 | A75 Y83 N302 F303 K306 | A75-Y79 HydrophobicContact CB-CD2 4.32Å; A75-Y79 HydrophobicContact CB-CE2 4.5Å; A75-Y79 WeakPolarHBondContact O-CD2 3.36Å; A75-Y79 PolarHBondContact O-N 2.82Å; Y79-Y83 WeakPolarHBondContact O-CD2 3.48Å; Y79-Y83 WeakPolarHBondContact O-CE2 3.31Å; Y79-N302 HydrophobicContact CE1-CB 3.85Å; Y79-F303 HydrophobicContact CD2-CB 4.04Å; Y79-F303 AromaticContact CD2-CD2 3.49Å; Y79-F303 HydrophobicContact CD2-CD2 3.49Å; Y79-F303 VanDerWaalsContact CD2-CD2 3.49Å; Y79-F303 HydrophobicContact CD2-CE2 4.27Å; Y79-F303 HydrophobicContact CD2-CG 4.11Å; Y79-F303 HydrophobicContact CE2-CD2 4.37Å; Y79-F303 HydrophobicContact CG-CB 4.14Å; Y79-F303 HydrophobicContact CG-CD2 4.04Å; Y79-F303 HydrophobicContact CG-CG 4.32Å; Y79-K306 HydrophobicContact CE2-CD 4.2Å; Y79-K306 PolarHBondContact OH-NZ 3.27Å |
| 80 | S | 94.4 | Very high | 95.1 | Very high | 3 Ų | 3 | 37.1 Ų | 37.1 | 2% | 0.021 | 18% | 0.182 | C | C | . | . | I | π-helix | trans | -76.8 | -45.9 | -178.2 | -53.8 | 0 | 0 | 0 | 0 | 110.8 | I26 S27 T31 V76 E82 Y83 V84 F303 | I26-S80 PolarHBondContact O-OG 2.92Å; S27-S80 PolarHBondContact OG-O 3.48Å; T31-S80 WeakPolarHBondContact OG1-CB 3.42Å; T31-S80 PolarHBondContact OG1-OG 2.65Å; T31-S80 VanDerWaalsContact OG1-OG 3.05Å; V76-S80 VanDerWaalsContact O-CB 3.28Å; V76-S80 WeakPolarHBondContact O-CB 3.36Å; V76-S80 PolarHBondContact O-N 3.19Å; S80-E82 PolarHBondContact O-N 3.37Å; S80-Y83 PolarHBondContact O-N 2.94Å; S80-V84 WeakPolarHBondContact O-CG2 3.47Å; S80-V84 PolarHBondContact O-N 3.24Å; S80-V84 VanDerWaalsContact O-N 3.1Å; S80-F303 WeakPolarHBondContact OG-CZ 3.43Å |
| 81 | V | 95.9 | Very high | 95.1 | Very high | 22 Ų | 22 | 35 Ų | 35 | 13% | 0.133 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.2 | -30.7 | -178.3 | 179.4 | 0 | 0 | 0 | 0 | 112.2 | V76 L77 Y83 V84 Y85 L93 W97 Y100 | V76-V81 PolarHBondContact O-N 3Å; L77-V81 HydrophobicContact CD2-CG2 4.49Å; V81-Y83 PolarHBondContact O-N 3.03Å; V81-V84 PolarHBondContact O-N 3.41Å; V81-Y85 WeakPolarHBondContact O-CD1 3.47Å; V81-Y85 PolarHBondContact O-N 3.21Å; V81-L93 HydrophobicContact CG1-CD1 3.91Å; V81-L93 HydrophobicContact CG1-CD2 4.13Å; V81-L93 HydrophobicContact CG1-CG 3.89Å; V81-W97 HydrophobicContact CG1-CB 4.2Å; V81-W97 HydrophobicContact CG1-CG 4.3Å; V81-Y100 WeakPolarHBondContact CG1-OH 3.48Å |
| 82 | E | 94.5 | Very high | 95.1 | Very high | 37 Ų | 37 | 42 Ų | 42 | 17% | 0.173 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -53.9 | -50.1 | 176 | -179.5 | 168.8 | -156.8 | 0 | 0 | 112.2 | H16 L78 S80 Y85 W97 | H16-E82 IonicContact CE1-OE1 2.67Å; H16-E82 PolarHBondContact CE1-OE1 2.9Å; H16-E82 IonicContact NE2-OE1 3.97Å; L78-E82 WeakPolarHBondContact O-CB 3.46Å; S80-E82 PolarHBondContact O-N 3.37Å; E82-Y85 VanDerWaalsContact CA-CE1 3.45Å; E82-Y85 HydrophobicContact CB-CE1 4.37Å; E82-Y85 HydrophobicContact CG-CE1 4.44Å; E82-Y85 WeakPolarHBondContact O-CD1 3.38Å; E82-Y85 WeakPolarHBondContact O-CD2 3.39Å; E82-Y85 WeakPolarHBondContact O-CE1 3.47Å; E82-Y85 WeakPolarHBondContact O-CE2 3.37Å; E82-W97 HydrophobicContact CB-CZ2 4.1Å; E82-W97 HydrophobicContact CG-CZ2 4.24Å |
| 83 | Y | 95.4 | Very high | 95.3 | Very high | 1 Ų | 1 | 44.5 Ų | 44.5 | 0% | 0.004 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -80.2 | -27 | 178.8 | -56.6 | -63.9 | 0 | 0 | 0 | 112.9 | H16 L19 K22 I26 S27 Y79 S80 V81 E86 Y87 E299 | H16-Y83 HydrophobicContact CB-CE1 4.29Å; H16-Y83 AromaticContact CG-CE1 3.92Å; L19-Y83 HydrophobicContact CD1-CD1 4.01Å; K22-Y83 HydrophobicContact CB-CD1 4.04Å; K22-Y83 HydrophobicContact CB-CD2 4.49Å; K22-Y83 HydrophobicContact CB-CE1 3.96Å; K22-Y83 HydrophobicContact CB-CE2 4.42Å; K22-Y83 HydrophobicContact CB-CG 4.3Å; K22-Y83 HydrophobicContact CD-CD1 4.38Å; K22-Y83 HydrophobicContact CD-CE1 3.58Å; K22-Y83 HydrophobicContact CG-CE1 4.4Å; K22-Y83 PolarHBondContact NZ-OH 2.94Å; I26-Y83 HydrophobicContact CB-CD2 3.96Å; I26-Y83 HydrophobicContact CB-CE2 4.05Å; I26-Y83 HydrophobicContact CG1-CD2 4.49Å; I26-Y83 HydrophobicContact CG1-CE2 4.16Å; I26-Y83 HydrophobicContact CG2-CD2 3.9Å; I26-Y83 HydrophobicContact CG2-CE2 3.87Å; S27-Y83 WeakPolarHBondContact OG-CB 3.47Å; Y79-Y83 WeakPolarHBondContact O-CD2 3.48Å; Y79-Y83 WeakPolarHBondContact O-CE2 3.31Å; S80-Y83 PolarHBondContact O-N 2.94Å; V81-Y83 PolarHBondContact O-N 3.03Å; Y83-E86 PolarHBondContact O-N 2.89Å; Y83-Y87 WeakPolarHBondContact O-CB 3.4Å; Y83-Y87 PolarHBondContact O-N 3.36Å; Y83-E299 PolarHBondContact OH-OE1 3.1Å; Y83-E299 PolarHBondContact OH-OE2 3.38Å; Y83-E299 VanDerWaalsContact OH-OE2 3.08Å |
| 84 | V | 97.2 | Very high | 95.3 | Very high | 39 Ų | 39 | 40.8 Ų | 40.8 | 24% | 0.236 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.8 | -48.2 | 177.2 | 172.9 | 0 | 0 | 0 | 0 | 111.2 | F23 S80 V81 E86 F88 L93 | F23-V84 HydrophobicContact CE2-CG2 4.01Å; S80-V84 WeakPolarHBondContact O-CG2 3.47Å; S80-V84 PolarHBondContact O-N 3.24Å; S80-V84 VanDerWaalsContact O-N 3.1Å; V81-V84 PolarHBondContact O-N 3.41Å; V84-E86 PolarHBondContact O-N 2.93Å; V84-F88 HydrophobicContact CG1-CD2 3.84Å; V84-F88 HydrophobicContact CG1-CE2 4.16Å; V84-F88 VanDerWaalsContact O-CD2 3.3Å; V84-F88 WeakPolarHBondContact O-CD2 3.44Å; V84-F88 PolarHBondContact O-N 3.47Å; V84-F88 VanDerWaalsContact O-N 3.15Å; V84-L93 HydrophobicContact CB-CD2 4.22Å; V84-L93 HydrophobicContact CG1-CD2 3.59Å |
| 85 | Y | 96.4 | Very high | 95.3 | Very high | 3 Ų | 3 | 45.1 Ų | 45.1 | 1% | 0.012 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.1 | -31.5 | -178.4 | 67.1 | -123.3 | 0 | 0 | 0 | 111.7 | V81 E82 E89 S90 Y94 W97 F178 | V81-Y85 WeakPolarHBondContact O-CD1 3.47Å; V81-Y85 PolarHBondContact O-N 3.21Å; E82-Y85 VanDerWaalsContact CA-CE1 3.45Å; E82-Y85 HydrophobicContact CB-CE1 4.37Å; E82-Y85 HydrophobicContact CG-CE1 4.44Å; E82-Y85 WeakPolarHBondContact O-CD1 3.38Å; E82-Y85 WeakPolarHBondContact O-CD2 3.39Å; E82-Y85 WeakPolarHBondContact O-CE1 3.47Å; E82-Y85 WeakPolarHBondContact O-CE2 3.37Å; Y85-E89 CarbonylContact O-C 3.3Å; Y85-E89 WeakPolarHBondContact O-CA 3.42Å; Y85-E89 PolarHBondContact O-N 3Å; Y85-E89 VanDerWaalsContact O-N 3.13Å; Y85-S90 PolarHBondContact O-N 3.39Å; Y85-Y94 AromaticContact CD2-CD2 3.86Å; Y85-Y94 HydrophobicContact CD2-CD2 3.86Å; Y85-Y94 HydrophobicContact CD2-CG 4.44Å; Y85-Y94 HydrophobicContact CE1-CD2 4.21Å; Y85-Y94 AromaticContact CE2-CD2 3.57Å; Y85-Y94 HydrophobicContact CE2-CD2 3.57Å; Y85-Y94 HydrophobicContact CE2-CE2 4.31Å; Y85-Y94 HydrophobicContact CG-CD2 4.41Å; Y85-Y94 AromaticContact CZ-CD2 3.77Å; Y85-W97 HydrophobicContact CD1-CB 3.96Å; Y85-W97 HydrophobicContact CD1-CG 4.18Å; Y85-W97 HydrophobicContact CE1-CB 3.96Å; Y85-W97 AromaticContact CE1-CD2 3.88Å; Y85-W97 HydrophobicContact CE1-CD2 3.88Å; Y85-W97 HydrophobicContact CE1-CE3 4.1Å; Y85-W97 AromaticContact CE1-CG 3.83Å; Y85-W97 HydrophobicContact CE1-CG 3.83Å; Y85-F178 AromaticContact CD2-CE1 3.63Å; Y85-F178 HydrophobicContact CD2-CE1 3.63Å; Y85-F178 HydrophobicContact CD2-CZ 4.43Å; Y85-F178 HydrophobicContact CE2-CE1 4.08Å |
| 86 | E | 95.6 | Very high | 95.5 | Very high | 2 Ų | 2 | 46.9 Ų | 46.9 | 1% | 0.009 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -83.5 | -41.9 | -172.9 | -166.2 | 179.6 | -174.3 | 0 | 0 | 110.7 | Y13 K15 H16 L19 Y83 V84 F88 E89 | Y13-E86 HydrophobicContact CE1-CG 4.12Å; Y13-E86 WeakPolarHBondContact CE1-OE1 3.33Å; Y13-E86 PolarHBondContact OH-OE1 3.17Å; K15-E86 WeakPolarHBondContact CA-OE1 3.15Å; K15-E86 WeakPolarHBondContact CB-OE1 3.22Å; K15-E86 WeakPolarHBondContact CG-OE1 3.41Å; H16-E86 WeakPolarHBondContact CB-OE2 3.43Å; H16-E86 IonicContact CE1-OE2 3.42Å; H16-E86 IonicContact CG-OE2 3.4Å; H16-E86 PolarHBondContact N-OE1 3.37Å; H16-E86 IonicContact ND1-OE1 3.81Å; H16-E86 IonicContact ND1-OE2 3.62Å; H16-E86 PolarHBondContact ND1-OE2 3.15Å; L19-E86 HydrophobicContact CD1-CB 4.08Å; L19-E86 HydrophobicContact CD1-CG 4.21Å; L19-E86 HydrophobicContact CD2-CB 4.28Å; L19-E86 HydrophobicContact CD2-CG 3.81Å; Y83-E86 PolarHBondContact O-N 2.89Å; V84-E86 PolarHBondContact O-N 2.93Å; E86-F88 VanDerWaalsContact C-N 3.34Å; E86-F88 PolarHBondContact O-N 3.32Å; E86-E89 PolarHBondContact O-N 2.97Å; E86-E89 VanDerWaalsContact O-N 3.16Å |
| 87 | Y | 96.6 | Very high | 95.6 | Very high | 73 Ų | 73 | 45.9 Ų | 45.9 | 29% | 0.286 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -60.5 | -42.6 | 175.7 | -172.3 | -92 | 0 | 0 | 0 | 112.1 | L19 D20 F23 Y83 E89 | L19-Y87 HydrophobicContact CG-CD2 4.48Å; D20-Y87 VanDerWaalsContact OD1-CE2 3.25Å; D20-Y87 WeakPolarHBondContact OD1-CE2 3.43Å; F23-Y87 HydrophobicContact CB-CD2 3.81Å; F23-Y87 HydrophobicContact CB-CE2 4.43Å; F23-Y87 HydrophobicContact CB-CG 4.22Å; F23-Y87 HydrophobicContact CD1-CD1 4.04Å; F23-Y87 AromaticContact CD1-CD2 3.76Å; F23-Y87 HydrophobicContact CD1-CD2 3.76Å; F23-Y87 HydrophobicContact CD1-CE1 4.1Å; F23-Y87 AromaticContact CD1-CE2 3.82Å; F23-Y87 HydrophobicContact CD1-CE2 3.82Å; F23-Y87 AromaticContact CD1-CG 3.87Å; F23-Y87 HydrophobicContact CD1-CG 3.87Å; F23-Y87 HydrophobicContact CD2-CD1 4.16Å; F23-Y87 HydrophobicContact CD2-CD2 4.19Å; F23-Y87 AromaticContact CD2-CG 3.73Å; F23-Y87 HydrophobicContact CD2-CG 3.73Å; F23-Y87 AromaticContact CE1-CD1 3.84Å; F23-Y87 HydrophobicContact CE1-CD1 3.84Å; F23-Y87 HydrophobicContact CE1-CD2 4.39Å; F23-Y87 AromaticContact CE1-CE1 3.81Å; F23-Y87 HydrophobicContact CE1-CE1 3.81Å; F23-Y87 HydrophobicContact CE1-CE2 4.35Å; F23-Y87 HydrophobicContact CE1-CG 4.15Å; F23-Y87 AromaticContact CE2-CD1 3.97Å; F23-Y87 HydrophobicContact CE2-CD1 3.97Å; F23-Y87 HydrophobicContact CE2-CG 4Å; F23-Y87 HydrophobicContact CG-CD1 4.19Å; F23-Y87 AromaticContact CG-CD2 3.64Å; F23-Y87 HydrophobicContact CG-CD2 3.64Å; F23-Y87 HydrophobicContact CG-CE2 4.18Å; F23-Y87 AromaticContact CG-CG 3.65Å; F23-Y87 HydrophobicContact CG-CG 3.65Å; F23-Y87 AromaticContact CZ-CD1 3.8Å; F23-Y87 HydrophobicContact CZ-CD1 3.8Å; F23-Y87 HydrophobicContact CZ-CE1 4.15Å; F23-Y87 HydrophobicContact CZ-CG 4.21Å; Y83-Y87 WeakPolarHBondContact O-CB 3.4Å; Y83-Y87 PolarHBondContact O-N 3.36Å; Y87-E89 VanDerWaalsContact C-N 3.33Å |
| 88 | F | 96.9 | Very high | 95.6 | Very high | 130 Ų | 130 | 43.9 Ų | 43.9 | 57% | 0.57 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | 6.5 | 177.4 | -66.2 | -68.6 | 0 | 0 | 0 | 113.9 | F23 V84 E86 S90 | F23-F88 AromaticContact CE2-CE2 3.84Å; F23-F88 HydrophobicContact CE2-CE2 3.84Å; F23-F88 HydrophobicContact CE2-CZ 4.49Å; F23-F88 AromaticContact CZ-CE2 3.76Å; F23-F88 HydrophobicContact CZ-CE2 3.76Å; F23-F88 AromaticContact CZ-CZ 3.98Å; F23-F88 HydrophobicContact CZ-CZ 3.98Å; V84-F88 HydrophobicContact CG1-CD2 3.84Å; V84-F88 HydrophobicContact CG1-CE2 4.16Å; V84-F88 VanDerWaalsContact O-CD2 3.3Å; V84-F88 WeakPolarHBondContact O-CD2 3.44Å; V84-F88 PolarHBondContact O-N 3.47Å; V84-F88 VanDerWaalsContact O-N 3.15Å; E86-F88 VanDerWaalsContact C-N 3.34Å; E86-F88 PolarHBondContact O-N 3.32Å; F88-S90 PolarHBondContact O-N 3.11Å |
| 89 | E | 95.1 | Very high | 95.6 | Very high | 123 Ų | 123 | 47.4 Ų | 47.4 | 58% | 0.575 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.8 | 34.3 | -178.7 | -54.5 | -166 | 144.1 | 0 | 0 | 113.9 | K15 Y85 E86 Y87 V91 F178 | K15-E89 IonicContact NZ-OE1 2.69Å; K15-E89 PolarHBondContact NZ-OE1 3.25Å; Y85-E89 CarbonylContact O-C 3.3Å; Y85-E89 WeakPolarHBondContact O-CA 3.42Å; Y85-E89 PolarHBondContact O-N 3Å; Y85-E89 VanDerWaalsContact O-N 3.13Å; E86-E89 PolarHBondContact O-N 2.97Å; E86-E89 VanDerWaalsContact O-N 3.16Å; Y87-E89 VanDerWaalsContact C-N 3.33Å; E89-V91 PolarHBondContact O-N 3.5Å; E89-F178 HydrophobicContact CB-CE2 4.39Å |
| 90 | S | 96.7 | Very high | 95.7 | Very high | 42 Ų | 42 | 48.8 Ų | 48.8 | 29% | 0.294 | 25% | 0.248 | S | C | . | . | trans | -87.5 | 96.4 | -175.5 | -178.7 | 0 | 0 | 0 | 0 | 112 | Y85 F88 Q92 L93 Y94 | Y85-S90 PolarHBondContact O-N 3.39Å; F88-S90 PolarHBondContact O-N 3.11Å; S90-Q92 PolarHBondContact O-N 2.93Å; S90-L93 PolarHBondContact O-N 2.82Å; S90-L93 WeakPolarHBondContact OG-CB 3.4Å; S90-L93 PolarHBondContact OG-N 3.38Å; S90-Y94 WeakPolarHBondContact O-CB 3.38Å; S90-Y94 PolarHBondContact O-N 3.13Å | ||
| 91 | V | 94.2 | Very high | 95.8 | Very high | 49 Ų | 49 | 49 Ų | 49 | 30% | 0.297 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -59.4 | -32.5 | 175.4 | 179.2 | 0 | 0 | 0 | 0 | 112.1 | E89 Y94 K95 F178 | E89-V91 PolarHBondContact O-N 3.5Å; V91-Y94 WeakPolarHBondContact O-CB 3.47Å; V91-K95 HydrophobicContact CG1-CD 4.47Å; V91-K95 WeakPolarHBondContact O-CG 3.47Å; V91-K95 PolarHBondContact O-N 3.39Å; V91-F178 HydrophobicContact CG2-CD2 4.12Å; V91-F178 HydrophobicContact CG2-CE2 3.9Å; V91-F178 HydrophobicContact CG2-CZ 4.48Å |
| 92 | Q | 95.7 | Very high | 95.7 | Very high | 147 Ų | 147 | 51.2 Ų | 51.2 | 69% | 0.687 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -67.9 | -44.3 | 178.6 | -176 | 61.8 | 19.6 | 0 | 0 | 111.5 | S90 Y94 K95 A96 | S90-Q92 PolarHBondContact O-N 2.93Å; Q92-Y94 VanDerWaalsContact C-N 3.33Å; Q92-K95 PolarHBondContact O-N 2.98Å; Q92-A96 WeakPolarHBondContact O-CB 3.44Å; Q92-A96 PolarHBondContact O-N 2.83Å |
| 93 | L | 96.1 | Very high | 95.6 | Very high | 56 Ų | 56 | 56.3 Ų | 56.3 | 29% | 0.293 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -69.2 | -36.3 | 177.9 | -171.6 | 62.6 | 0 | 0 | 0 | 111.2 | V81 V84 S90 A96 W97 | V81-L93 HydrophobicContact CG1-CD1 3.91Å; V81-L93 HydrophobicContact CG1-CD2 4.13Å; V81-L93 HydrophobicContact CG1-CG 3.89Å; V84-L93 HydrophobicContact CB-CD2 4.22Å; V84-L93 HydrophobicContact CG1-CD2 3.59Å; S90-L93 PolarHBondContact O-N 2.82Å; S90-L93 WeakPolarHBondContact OG-CB 3.4Å; S90-L93 PolarHBondContact OG-N 3.38Å; L93-A96 PolarHBondContact O-N 2.95Å; L93-W97 WeakPolarHBondContact O-CB 3.5Å; L93-W97 PolarHBondContact O-N 3.02Å |
| 94 | Y | 95.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -55.5 | -54.5 | 170.7 | 170.9 | -99.5 | 0 | 0 | 0 | 111.6 | Y13 Y85 S90 V91 Q92 A96 W97 Y98 F178 L181 | Y13-Y94 HydrophobicContact CE2-CE2 4.14Å; Y85-Y94 AromaticContact CD2-CD2 3.86Å; Y85-Y94 HydrophobicContact CD2-CD2 3.86Å; Y85-Y94 HydrophobicContact CD2-CG 4.44Å; Y85-Y94 HydrophobicContact CE1-CD2 4.21Å; Y85-Y94 AromaticContact CE2-CD2 3.57Å; Y85-Y94 HydrophobicContact CE2-CD2 3.57Å; Y85-Y94 HydrophobicContact CE2-CE2 4.31Å; Y85-Y94 HydrophobicContact CG-CD2 4.41Å; Y85-Y94 AromaticContact CZ-CD2 3.77Å; S90-Y94 WeakPolarHBondContact O-CB 3.38Å; S90-Y94 PolarHBondContact O-N 3.13Å; V91-Y94 WeakPolarHBondContact O-CB 3.47Å; Q92-Y94 VanDerWaalsContact C-N 3.33Å; Y94-A96 VanDerWaalsContact C-N 3.3Å; Y94-A96 PolarHBondContact O-N 3.08Å; Y94-W97 PolarHBondContact O-N 2.95Å; Y94-Y98 AromaticContact CD2-CD2 3.95Å; Y94-Y98 HydrophobicContact CD2-CD2 3.95Å; Y94-Y98 AromaticContact CD2-CE2 3.68Å; Y94-Y98 HydrophobicContact CD2-CE2 3.68Å; Y94-Y98 HydrophobicContact CE1-CD2 4.28Å; Y94-Y98 HydrophobicContact CE1-CE2 4.33Å; Y94-Y98 AromaticContact CE2-CD2 3.72Å; Y94-Y98 HydrophobicContact CE2-CD2 3.72Å; Y94-Y98 AromaticContact CE2-CE2 3.11Å; Y94-Y98 HydrophobicContact CE2-CE2 3.11Å; Y94-Y98 AromaticContact CE2-CZ 3.88Å; Y94-Y98 HydrophobicContact CG-CD2 4.37Å; Y94-Y98 AromaticContact CZ-CD2 3.85Å; Y94-Y98 AromaticContact CZ-CE2 3.47Å; Y94-Y98 VanDerWaalsContact CZ-CE2 3.47Å; Y94-Y98 AromaticContact CZ-CZ 3.97Å; Y94-Y98 WeakPolarHBondContact O-CD2 3.37Å; Y94-Y98 PolarHBondContact O-N 2.98Å; Y94-F178 HydrophobicContact CD1-CD1 4.2Å; Y94-F178 AromaticContact CD2-CD1 3.47Å; Y94-F178 HydrophobicContact CD2-CD1 3.47Å; Y94-F178 VanDerWaalsContact CD2-CD1 3.47Å; Y94-F178 AromaticContact CD2-CE1 3.67Å; Y94-F178 HydrophobicContact CD2-CE1 3.67Å; Y94-F178 AromaticContact CE2-CD1 3.81Å; Y94-F178 HydrophobicContact CE2-CD1 3.81Å; Y94-F178 HydrophobicContact CE2-CE1 4.44Å; Y94-F178 AromaticContact CG-CD1 3.67Å; Y94-F178 HydrophobicContact CG-CD1 3.67Å; Y94-F178 AromaticContact CG-CE1 3.71Å; Y94-F178 HydrophobicContact CG-CE1 3.71Å; Y94-F178 PolarHBondContact OH-O 3.5Å; Y94-L181 HydrophobicContact CD1-CD1 4.44Å; Y94-L181 HydrophobicContact CE1-CB 3.9Å; Y94-L181 HydrophobicContact CE1-CD1 3.96Å; Y94-L181 HydrophobicContact CE1-CG 4.25Å; Y94-L181 WeakPolarHBondContact OH-CB 3.45Å; Y94-L181 PolarHBondContact OH-O 3.09Å |
| 95 | K | 95.2 | Very high | 95.5 | Very high | 96 Ų | 96 | 57.6 Ų | 57.6 | 42% | 0.417 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60 | -39.5 | 176.6 | -71.2 | -176.5 | 177.3 | -167.6 | 0 | 112.5 | V91 Q92 Y98 S99 L181 | V91-K95 HydrophobicContact CG1-CD 4.47Å; V91-K95 WeakPolarHBondContact O-CG 3.47Å; V91-K95 PolarHBondContact O-N 3.39Å; Q92-K95 PolarHBondContact O-N 2.98Å; K95-Y98 PolarHBondContact O-N 3.24Å; K95-S99 PolarHBondContact O-N 2.84Å; K95-S99 VanDerWaalsContact O-N 3.1Å; K95-L181 HydrophobicContact CB-CD1 4.42Å; K95-L181 HydrophobicContact CG-CD1 3.96Å |
| 96 | A | 96.3 | Very high | 95.5 | Very high | 36 Ų | 36 | 58 Ų | 58 | 30% | 0.298 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.4 | -45.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q92 L93 Y94 Y98 S99 Y100 | Q92-A96 WeakPolarHBondContact O-CB 3.44Å; Q92-A96 PolarHBondContact O-N 2.83Å; L93-A96 PolarHBondContact O-N 2.95Å; Y94-A96 VanDerWaalsContact C-N 3.3Å; Y94-A96 PolarHBondContact O-N 3.08Å; A96-Y98 PolarHBondContact O-N 3.34Å; A96-S99 WeakPolarHBondContact O-CB 3.43Å; A96-S99 PolarHBondContact O-N 3.33Å; A96-S99 VanDerWaalsContact O-N 3.11Å; A96-S99 PolarHBondContact O-OG 3.44Å; A96-Y100 WeakPolarHBondContact O-CD1 3.41Å; A96-Y100 WeakPolarHBondContact O-CE1 3.28Å |
| 97 | W | 97 | Very high | 95.5 | Very high | 7 Ų | 7 | 61.8 Ų | 61.8 | 3% | 0.027 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -59.7 | -46.1 | 177.4 | -175.8 | 95.8 | 0 | 0 | 0 | 111.9 | L77 L78 V81 E82 Y85 L93 Y94 S99 Y100 V101 L183 | L77-W97 PolarHBondContact O-NE1 3.4Å; L78-W97 PolarHBondContact O-NE1 3.31Å; V81-W97 HydrophobicContact CG1-CB 4.2Å; V81-W97 HydrophobicContact CG1-CG 4.3Å; E82-W97 HydrophobicContact CB-CZ2 4.1Å; E82-W97 HydrophobicContact CG-CZ2 4.24Å; Y85-W97 HydrophobicContact CD1-CB 3.96Å; Y85-W97 HydrophobicContact CD1-CG 4.18Å; Y85-W97 HydrophobicContact CE1-CB 3.96Å; Y85-W97 AromaticContact CE1-CD2 3.88Å; Y85-W97 HydrophobicContact CE1-CD2 3.88Å; Y85-W97 HydrophobicContact CE1-CE3 4.1Å; Y85-W97 AromaticContact CE1-CG 3.83Å; Y85-W97 HydrophobicContact CE1-CG 3.83Å; L93-W97 WeakPolarHBondContact O-CB 3.5Å; L93-W97 PolarHBondContact O-N 3.02Å; Y94-W97 PolarHBondContact O-N 2.95Å; W97-S99 PolarHBondContact O-N 3.29Å; W97-Y100 HydrophobicContact CB-CE1 4.46Å; W97-Y100 AromaticContact CD1-CZ 3.8Å; W97-Y100 VanDerWaalsContact CD1-OH 3.24Å; W97-Y100 HydrophobicContact CG-CE2 4.45Å; W97-Y100 PolarHBondContact O-N 2.86Å; W97-V101 HydrophobicContact CD2-CB 4.11Å; W97-V101 HydrophobicContact CD2-CG2 4.4Å; W97-V101 HydrophobicContact CE3-CB 4.02Å; W97-V101 HydrophobicContact CE3-CG1 4.07Å; W97-V101 HydrophobicContact CE3-CG2 4.34Å; W97-V101 HydrophobicContact CH2-CB 4.16Å; W97-V101 HydrophobicContact CH2-CG1 4.43Å; W97-V101 HydrophobicContact CH2-CG2 3.57Å; W97-V101 HydrophobicContact CZ2-CB 4.2Å; W97-V101 HydrophobicContact CZ2-CG2 3.57Å; W97-V101 HydrophobicContact CZ3-CB 4.05Å; W97-V101 HydrophobicContact CZ3-CG1 3.97Å; W97-V101 HydrophobicContact CZ3-CG2 3.96Å; W97-V101 WeakPolarHBondContact O-CB 3.42Å; W97-V101 PolarHBondContact O-N 3.08Å; W97-L183 HydrophobicContact CH2-CD1 3.38Å; W97-L183 HydrophobicContact CZ3-CD1 3.3Å; W97-L183 HydrophobicContact CZ3-CG 4.48Å |
| 98 | Y | 95.6 | Very high | 95.4 | Very high | 23 Ų | 23 | 58.3 Ų | 58.3 | 9% | 0.09 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62 | -28 | 176.1 | -88.4 | -96.7 | 0 | 0 | 0 | 113.3 | Y94 K95 A96 Y100 V169 L181 L183 | Y94-Y98 AromaticContact CD2-CD2 3.95Å; Y94-Y98 HydrophobicContact CD2-CD2 3.95Å; Y94-Y98 AromaticContact CD2-CE2 3.68Å; Y94-Y98 HydrophobicContact CD2-CE2 3.68Å; Y94-Y98 HydrophobicContact CE1-CD2 4.28Å; Y94-Y98 HydrophobicContact CE1-CE2 4.33Å; Y94-Y98 AromaticContact CE2-CD2 3.72Å; Y94-Y98 HydrophobicContact CE2-CD2 3.72Å; Y94-Y98 AromaticContact CE2-CE2 3.11Å; Y94-Y98 HydrophobicContact CE2-CE2 3.11Å; Y94-Y98 AromaticContact CE2-CZ 3.88Å; Y94-Y98 HydrophobicContact CG-CD2 4.37Å; Y94-Y98 AromaticContact CZ-CD2 3.85Å; Y94-Y98 AromaticContact CZ-CE2 3.47Å; Y94-Y98 VanDerWaalsContact CZ-CE2 3.47Å; Y94-Y98 AromaticContact CZ-CZ 3.97Å; Y94-Y98 WeakPolarHBondContact O-CD2 3.37Å; Y94-Y98 PolarHBondContact O-N 2.98Å; K95-Y98 PolarHBondContact O-N 3.24Å; A96-Y98 PolarHBondContact O-N 3.34Å; Y98-Y100 VanDerWaalsContact C-N 3.32Å; Y98-Y100 PolarHBondContact O-N 3.4Å; Y98-V169 HydrophobicContact CD1-CB 4.48Å; Y98-V169 HydrophobicContact CD1-CG1 3.76Å; Y98-V169 HydrophobicContact CD1-CG2 4.01Å; Y98-L181 HydrophobicContact CD1-CB 3.85Å; Y98-L181 HydrophobicContact CD1-CD1 4.42Å; Y98-L181 HydrophobicContact CD2-CD1 4.47Å; Y98-L181 HydrophobicContact CE1-CB 4.04Å; Y98-L181 HydrophobicContact CG-CB 4.11Å; Y98-L181 HydrophobicContact CG-CD1 3.96Å; Y98-L183 HydrophobicContact CD1-CG 4.3Å; Y98-L183 HydrophobicContact CE1-CB 4.2Å; Y98-L183 HydrophobicContact CE1-CD1 4.08Å; Y98-L183 HydrophobicContact CE1-CG 3.69Å |
| 99 | S | 94.2 | Very high | 95.2 | Very high | 81 Ų | 81 | 52.9 Ų | 52.9 | 57% | 0.566 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -68 | -29.4 | 178 | 78.9 | 0 | 0 | 0 | 0 | 113.7 | K95 A96 W97 | K95-S99 PolarHBondContact O-N 2.84Å; K95-S99 VanDerWaalsContact O-N 3.1Å; A96-S99 WeakPolarHBondContact O-CB 3.43Å; A96-S99 PolarHBondContact O-N 3.33Å; A96-S99 VanDerWaalsContact O-N 3.11Å; A96-S99 PolarHBondContact O-OG 3.44Å; W97-S99 PolarHBondContact O-N 3.29Å |
| 100 | Y | 95.5 | Very high | 95.2 | Very high | 55 Ų | 55 | 47.6 Ų | 47.6 | 22% | 0.216 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -114.8 | -19.7 | -175.4 | 67.4 | -111.2 | 0 | 0 | 0 | 114.6 | L77 V81 A96 W97 Y98 K102 Y103 C104 | L77-Y100 HydrophobicContact CB-CE2 4.02Å; L77-Y100 WeakPolarHBondContact O-CE2 3.5Å; L77-Y100 PolarHBondContact O-OH 3.43Å; V81-Y100 WeakPolarHBondContact CG1-OH 3.48Å; A96-Y100 WeakPolarHBondContact O-CD1 3.41Å; A96-Y100 WeakPolarHBondContact O-CE1 3.28Å; W97-Y100 HydrophobicContact CB-CE1 4.46Å; W97-Y100 AromaticContact CD1-CZ 3.8Å; W97-Y100 VanDerWaalsContact CD1-OH 3.24Å; W97-Y100 HydrophobicContact CG-CE2 4.45Å; W97-Y100 PolarHBondContact O-N 2.86Å; Y98-Y100 VanDerWaalsContact C-N 3.32Å; Y98-Y100 PolarHBondContact O-N 3.4Å; Y100-K102 PolarHBondContact O-N 3.33Å; Y100-K102 VanDerWaalsContact O-N 3.15Å; Y100-Y103 PolarHBondContact O-N 3.39Å; Y100-C104 HydrophobicContact CD2-CB 3.94Å; Y100-C104 WeakPolarHBondContact O-CB 3.18Å; Y100-C104 PolarHBondContact O-N 2.81Å |
| 101 | V | 95.8 | Very high | 95.1 | Very high | 7 Ų | 7 | 45.9 Ų | 45.9 | 4% | 0.042 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -52.6 | -41.6 | -174.4 | 63.7 | 0 | 0 | 0 | 0 | 112.4 | L78 W97 Y103 C104 Y105 V169 L183 | L78-V101 HydrophobicContact CD2-CG2 3.85Å; W97-V101 HydrophobicContact CD2-CB 4.11Å; W97-V101 HydrophobicContact CD2-CG2 4.4Å; W97-V101 HydrophobicContact CE3-CB 4.02Å; W97-V101 HydrophobicContact CE3-CG1 4.07Å; W97-V101 HydrophobicContact CE3-CG2 4.34Å; W97-V101 HydrophobicContact CH2-CB 4.16Å; W97-V101 HydrophobicContact CH2-CG1 4.43Å; W97-V101 HydrophobicContact CH2-CG2 3.57Å; W97-V101 HydrophobicContact CZ2-CB 4.2Å; W97-V101 HydrophobicContact CZ2-CG2 3.57Å; W97-V101 HydrophobicContact CZ3-CB 4.05Å; W97-V101 HydrophobicContact CZ3-CG1 3.97Å; W97-V101 HydrophobicContact CZ3-CG2 3.96Å; W97-V101 WeakPolarHBondContact O-CB 3.42Å; W97-V101 PolarHBondContact O-N 3.08Å; V101-Y103 PolarHBondContact O-N 3.24Å; V101-C104 PolarHBondContact O-N 2.9Å; V101-Y105 VanDerWaalsContact O-CB 3.3Å; V101-Y105 WeakPolarHBondContact O-CB 3.35Å; V101-Y105 PolarHBondContact O-N 3.42Å; V101-V169 HydrophobicContact CG1-CG2 4.37Å; V101-L183 HydrophobicContact CG1-CD1 4.15Å; V101-L183 HydrophobicContact CG1-CD2 4.22Å; V101-L183 HydrophobicContact CG2-CD1 4.29Å |
| 102 | K | 93.2 | Very high | 95 | Very high | 68 Ų | 68 | 45 Ų | 45 | 30% | 0.296 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -57.9 | -34 | 178.8 | -176.1 | 179 | 179.8 | -175.1 | 0 | 113.2 | Y100 P106 V164 I167 | Y100-K102 PolarHBondContact O-N 3.33Å; Y100-K102 VanDerWaalsContact O-N 3.15Å; K102-P106 WeakPolarHBondContact O-CD 3.25Å; K102-P106 WeakPolarHBondContact O-CG 3.23Å; K102-V164 WeakPolarHBondContact CE-O 3.46Å; K102-I167 HydrophobicContact CG-CG1 4.43Å |
| 103 | Y | 93.7 | Very high | 95 | Very high | 145 Ų | 145 | 38 Ų | 38 | 57% | 0.569 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -93.2 | -36.4 | 179.9 | -52.1 | -68.3 | 0 | 0 | 0 | 111.7 | Y100 V101 Y105 P106 L107 | Y100-Y103 PolarHBondContact O-N 3.39Å; V101-Y103 PolarHBondContact O-N 3.24Å; Y103-Y105 VanDerWaalsContact C-N 3.34Å; Y103-Y105 PolarHBondContact O-N 3.45Å; Y103-P106 VanDerWaalsContact O-CD 3.29Å; Y103-P106 WeakPolarHBondContact O-CD 3.19Å; Y103-P106 VanDerWaalsContact O-CG 3.3Å; Y103-P106 WeakPolarHBondContact O-CG 3.47Å; Y103-L107 WeakPolarHBondContact O-CB 3.28Å; Y103-L107 WeakPolarHBondContact O-CD1 3.23Å; Y103-L107 WeakPolarHBondContact O-CG 3.43Å; Y103-L107 PolarHBondContact O-N 3.03Å |
| 104 | C | 95.6 | Very high | 94.9 | Very high | 10 Ų | 10 | 35.5 Ų | 35.5 | 7% | 0.068 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -67.6 | -36.1 | -179.6 | -162.9 | 0 | 0 | 0 | 0 | 111.7 | L78 Y100 V101 L107 S108 | L78-C104 HydrophobicContact CD2-CB 3.92Å; L78-C104 HydrophobicContact CG-CB 4.21Å; Y100-C104 HydrophobicContact CD2-CB 3.94Å; Y100-C104 WeakPolarHBondContact O-CB 3.18Å; Y100-C104 PolarHBondContact O-N 2.81Å; V101-C104 PolarHBondContact O-N 2.9Å; C104-L107 PolarHBondContact O-N 3.34Å; C104-S108 WeakPolarHBondContact O-CB 3.15Å; C104-S108 PolarHBondContact O-N 3.46Å |
| 105 | Y | 94.9 | Very high | 94.7 | Very high | 57 Ų | 57 | 35.7 Ų | 35.7 | 22% | 0.224 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -56.5 | -59.5 | 177.7 | 174.8 | -108.2 | 0 | 0 | 0 | 113.3 | V101 Y103 L107 S108 N109 K163 E166 I167 | V101-Y105 VanDerWaalsContact O-CB 3.3Å; V101-Y105 WeakPolarHBondContact O-CB 3.35Å; V101-Y105 PolarHBondContact O-N 3.42Å; Y103-Y105 VanDerWaalsContact C-N 3.34Å; Y103-Y105 PolarHBondContact O-N 3.45Å; Y105-L107 VanDerWaalsContact C-N 3.3Å; Y105-L107 PolarHBondContact O-N 2.99Å; Y105-S108 PolarHBondContact O-N 3.43Å; Y105-N109 WeakPolarHBondContact CE2-ND2 3.36Å; Y105-N109 PolarHBondContact O-N 2.96Å; Y105-N109 PolarHBondContact O-ND2 2.84Å; Y105-K163 HydrophobicContact CD1-CB 4.21Å; Y105-K163 HydrophobicContact CE1-CB 3.83Å; Y105-K163 HydrophobicContact CE1-CD 4.04Å; Y105-K163 HydrophobicContact CE1-CG 4.13Å; Y105-K163 PolarHBondContact OH-NZ 2.94Å; Y105-E166 WeakPolarHBondContact CE1-OE2 3.5Å; Y105-E166 PolarHBondContact OH-OE2 3.49Å; Y105-I167 HydrophobicContact CD1-CD1 4.22Å; Y105-I167 HydrophobicContact CG-CD1 4.29Å |
| 106 | P | 95.6 | Very high | 94.5 | Very high | 10 Ų | 10 | 32.1 Ų | 32.1 | 7% | 0.065 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.4 | -36.2 | 177.9 | 24.4 | -33.8 | 0 | 0 | 0 | 112 | K102 Y103 N109 A110 K163 V164 | K102-P106 WeakPolarHBondContact O-CD 3.25Å; K102-P106 WeakPolarHBondContact O-CG 3.23Å; Y103-P106 VanDerWaalsContact O-CD 3.29Å; Y103-P106 WeakPolarHBondContact O-CD 3.19Å; Y103-P106 VanDerWaalsContact O-CG 3.3Å; Y103-P106 WeakPolarHBondContact O-CG 3.47Å; P106-N109 PolarHBondContact O-N 3.22Å; P106-A110 WeakPolarHBondContact O-CB 3.35Å; P106-A110 PolarHBondContact O-N 3.3Å; P106-K163 HydrophobicContact CB-CB 3.88Å; P106-V164 HydrophobicContact CB-CG2 3.83Å; P106-V164 HydrophobicContact CG-CG2 3.78Å |
| 107 | L | 95.1 | Very high | 94.4 | Very high | 83 Ų | 83 | 32 Ų | 32 | 44% | 0.435 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -63.1 | -42.1 | 177.3 | -74.4 | 172.1 | 0 | 0 | 0 | 112.5 | F70 Y103 C104 Y105 A110 A111 | F70-L107 HydrophobicContact CE1-CB 4.21Å; F70-L107 HydrophobicContact CE1-CD2 4.49Å; F70-L107 HydrophobicContact CZ-CB 4.18Å; F70-L107 HydrophobicContact CZ-CD1 4.38Å; F70-L107 HydrophobicContact CZ-CD2 4.36Å; Y103-L107 WeakPolarHBondContact O-CB 3.28Å; Y103-L107 WeakPolarHBondContact O-CD1 3.23Å; Y103-L107 WeakPolarHBondContact O-CG 3.43Å; Y103-L107 PolarHBondContact O-N 3.03Å; C104-L107 PolarHBondContact O-N 3.34Å; Y105-L107 VanDerWaalsContact C-N 3.3Å; Y105-L107 PolarHBondContact O-N 2.99Å; L107-A110 PolarHBondContact O-N 3.43Å; L107-A111 WeakPolarHBondContact O-CB 3.25Å; L107-A111 PolarHBondContact O-N 3.06Å |
| 108 | S | 94.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62 | -43.9 | 176 | -174.4 | 0 | 0 | 0 | 0 | 111.3 | T74 C104 Y105 A111 Q112 K306 | T74-S108 WeakPolarHBondContact OG1-CA 3.29Å; T74-S108 WeakPolarHBondContact OG1-CB 3.38Å; T74-S108 PolarHBondContact OG1-OG 3.49Å; C104-S108 WeakPolarHBondContact O-CB 3.15Å; C104-S108 PolarHBondContact O-N 3.46Å; Y105-S108 PolarHBondContact O-N 3.43Å; S108-A111 PolarHBondContact O-N 2.92Å; S108-Q112 WeakPolarHBondContact O-CB 3.3Å; S108-Q112 PolarHBondContact O-N 2.85Å; S108-K306 PolarHBondContact OG-NZ 2.92Å |
| 109 | N | 93.6 | Very high | 93.9 | Very high | 16 Ų | 16 | 32.7 Ų | 32.7 | 9% | 0.086 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -67.2 | -38.4 | 177.9 | -74.4 | -98 | 0 | 0 | 0 | 112 | Y105 P106 Q112 T113 N160 K163 | Y105-N109 WeakPolarHBondContact CE2-ND2 3.36Å; Y105-N109 PolarHBondContact O-N 2.96Å; Y105-N109 PolarHBondContact O-ND2 2.84Å; P106-N109 PolarHBondContact O-N 3.22Å; N109-Q112 PolarHBondContact O-N 3.43Å; N109-T113 PolarHBondContact O-N 2.81Å; N109-T113 PolarHBondContact O-OG1 3.19Å; N109-N160 HydrophobicContact CB-CB 4.38Å; N109-N160 WeakPolarHBondContact CB-OD1 3.35Å; N109-N160 PolarHBondContact O-ND2 3.32Å; N109-K163 HydrophobicContact CB-CD 3.65Å; N109-K163 WeakPolarHBondContact OD1-CE 3.12Å |
| 110 | A | 95.9 | Very high | 93.7 | Very high | 12 Ų | 12 | 29.7 Ų | 29.7 | 10% | 0.099 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64.9 | -43.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | P106 L107 Q112 T113 G114 A156 V157 N160 | P106-A110 WeakPolarHBondContact O-CB 3.35Å; P106-A110 PolarHBondContact O-N 3.3Å; L107-A110 PolarHBondContact O-N 3.43Å; A110-Q112 VanDerWaalsContact C-N 3.32Å; A110-Q112 PolarHBondContact O-N 2.82Å; A110-T113 PolarHBondContact O-N 2.9Å; A110-G114 PolarHBondContact O-N 3Å; A110-A156 WeakPolarHBondContact O-CB 3.26Å; A110-V157 HydrophobicContact CB-CG2 4.46Å; A110-N160 HydrophobicContact CB-CB 4.22Å |
| 111 | A | 94.4 | Very high | 93.4 | Very high | 6 Ų | 6 | 27.9 Ų | 27.9 | 5% | 0.05 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60.6 | -41.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | C67 F70 L71 L107 S108 G114 S115 | C67-A111 PolarHBondContact SG-O 2.87Å; F70-A111 HydrophobicContact CD1-CB 3.6Å; F70-A111 HydrophobicContact CE1-CB 4.13Å; L71-A111 HydrophobicContact CB-CB 3.96Å; L71-A111 HydrophobicContact CD1-CB 4.37Å; L107-A111 WeakPolarHBondContact O-CB 3.25Å; L107-A111 PolarHBondContact O-N 3.06Å; S108-A111 PolarHBondContact O-N 2.92Å; A111-G114 PolarHBondContact O-N 3.32Å; A111-S115 WeakPolarHBondContact O-CB 3.13Å; A111-S115 PolarHBondContact O-N 2.75Å |
| 112 | Q | 92.4 | Very high | 93 | Very high | 31 Ų | 31 | 28.6 Ų | 28.6 | 15% | 0.145 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62 | -49.4 | 174.9 | -175.4 | 172.6 | 26.1 | 0 | 0 | 112 | L71 S108 N109 A110 G114 S115 I116 | L71-Q112 HydrophobicContact CD1-CB 3.96Å; L71-Q112 HydrophobicContact CD2-CB 4.14Å; L71-Q112 HydrophobicContact CD2-CG 4.43Å; S108-Q112 WeakPolarHBondContact O-CB 3.3Å; S108-Q112 PolarHBondContact O-N 2.85Å; N109-Q112 PolarHBondContact O-N 3.43Å; A110-Q112 VanDerWaalsContact C-N 3.32Å; A110-Q112 PolarHBondContact O-N 2.82Å; Q112-G114 VanDerWaalsContact C-N 3.29Å; Q112-G114 PolarHBondContact O-N 3.29Å; Q112-S115 PolarHBondContact O-N 3.37Å; Q112-I116 HydrophobicContact CG-CD1 4Å; Q112-I116 WeakPolarHBondContact O-CD1 3.4Å; Q112-I116 VanDerWaalsContact O-CG1 3.26Å; Q112-I116 WeakPolarHBondContact O-CG1 3.29Å; Q112-I116 PolarHBondContact O-N 3.48Å; Q112-I116 VanDerWaalsContact O-N 3.07Å |
| 113 | T | 93.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -61 | -41.5 | 177 | -54.9 | 0 | 0 | 0 | 0 | 110.9 | N109 A110 I116 Y117 F155 A156 N160 Q207 | N109-T113 PolarHBondContact O-N 2.81Å; N109-T113 PolarHBondContact O-OG1 3.19Å; A110-T113 PolarHBondContact O-N 2.9Å; T113-I116 PolarHBondContact O-N 3.45Å; T113-Y117 HydrophobicContact CG2-CD2 3.99Å; T113-Y117 HydrophobicContact CG2-CE2 4.12Å; T113-Y117 VanDerWaalsContact O-CD2 3.28Å; T113-Y117 WeakPolarHBondContact O-CD2 3.44Å; T113-Y117 PolarHBondContact O-N 2.75Å; T113-Y117 VanDerWaalsContact O-N 3.08Å; T113-F155 HydrophobicContact CG2-CD1 4.43Å; T113-F155 HydrophobicContact CG2-CE1 4.06Å; T113-A156 HydrophobicContact CG2-CB 3.96Å; T113-N160 PolarHBondContact OG1-ND2 2.95Å; T113-Q207 PolarHBondContact OG1-NE2 3.24Å |
| 114 | G | 94.3 | Very high | 92.4 | Very high | 3 Ų | 3 | 22.4 Ų | 22.4 | 3% | 0.031 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -60.1 | -48.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | A110 A111 Q112 I116 Y117 I118 | A110-G114 PolarHBondContact O-N 3Å; A111-G114 PolarHBondContact O-N 3.32Å; Q112-G114 VanDerWaalsContact C-N 3.29Å; Q112-G114 PolarHBondContact O-N 3.29Å; G114-I116 VanDerWaalsContact C-N 3.35Å; G114-I116 PolarHBondContact O-N 2.85Å; G114-Y117 PolarHBondContact O-N 2.97Å; G114-I118 WeakPolarHBondContact O-CB 3.2Å; G114-I118 WeakPolarHBondContact O-CG1 3.41Å; G114-I118 PolarHBondContact O-N 3.35Å |
| 115 | S | 92.5 | Very high | 91.9 | Very high | 3 Ų | 3 | 22.5 Ų | 22.5 | 2% | 0.021 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -59 | -45.6 | 178.5 | 174 | 0 | 0 | 0 | 0 | 111.8 | L64 C67 D68 A111 Q112 Y117 I118 T119 | L64-S115 WeakPolarHBondContact CD1-O 3.4Å; L64-S115 WeakPolarHBondContact CD1-OG 3.35Å; C67-S115 PolarHBondContact SG-N 3.29Å; C67-S115 VanDerWaalsContact SG-N 3.39Å; D68-S115 VanDerWaalsContact OD1-CB 3.24Å; D68-S115 WeakPolarHBondContact OD1-CB 3.28Å; D68-S115 PolarHBondContact OD1-OG 3.49Å; A111-S115 WeakPolarHBondContact O-CB 3.13Å; A111-S115 PolarHBondContact O-N 2.75Å; Q112-S115 PolarHBondContact O-N 3.37Å; S115-Y117 PolarHBondContact O-N 3.49Å; S115-I118 PolarHBondContact O-N 2.96Å; S115-T119 WeakPolarHBondContact O-CB 3.43Å; S115-T119 PolarHBondContact O-N 2.92Å; S115-T119 PolarHBondContact O-OG1 2.89Å |
| 116 | I | 91 | Very high | 91.4 | Very high | 22 Ų | 22 | 24.6 Ų | 24.6 | 11% | 0.113 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -58.6 | -49.9 | 177.8 | -69.1 | 164.4 | 0 | 0 | 0 | 111.2 | Q112 T113 G114 T119 M120 Q207 P211 | Q112-I116 HydrophobicContact CG-CD1 4Å; Q112-I116 WeakPolarHBondContact O-CD1 3.4Å; Q112-I116 VanDerWaalsContact O-CG1 3.26Å; Q112-I116 WeakPolarHBondContact O-CG1 3.29Å; Q112-I116 PolarHBondContact O-N 3.48Å; Q112-I116 VanDerWaalsContact O-N 3.07Å; T113-I116 PolarHBondContact O-N 3.45Å; G114-I116 VanDerWaalsContact C-N 3.35Å; G114-I116 PolarHBondContact O-N 2.85Å; I116-T119 WeakPolarHBondContact O-CB 3.36Å; I116-T119 PolarHBondContact O-N 3.31Å; I116-M120 HydrophobicContact CG2-SD 4.31Å; I116-M120 WeakPolarHBondContact O-CG 3.42Å; I116-M120 PolarHBondContact O-N 2.93Å; I116-Q207 HydrophobicContact CD1-CB 4.27Å; I116-P211 HydrophobicContact CG2-CB 3.42Å; I116-P211 VanDerWaalsContact CG2-CB 3.42Å; I116-P211 HydrophobicContact CG2-CG 3.29Å |
| 117 | Y | 93.9 | Very high | 91 | Very high | 33 Ų | 33 | 26.4 Ų | 26.4 | 13% | 0.129 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -76.4 | -27.8 | -175.9 | -82.5 | -104.4 | 0 | 0 | 0 | 113 | T113 G114 S115 M120 S121 V152 F155 V206 P211 | T113-Y117 HydrophobicContact CG2-CD2 3.99Å; T113-Y117 HydrophobicContact CG2-CE2 4.12Å; T113-Y117 VanDerWaalsContact O-CD2 3.28Å; T113-Y117 WeakPolarHBondContact O-CD2 3.44Å; T113-Y117 PolarHBondContact O-N 2.75Å; T113-Y117 VanDerWaalsContact O-N 3.08Å; G114-Y117 PolarHBondContact O-N 2.97Å; S115-Y117 PolarHBondContact O-N 3.49Å; Y117-M120 HydrophobicContact CD1-CE 4.48Å; Y117-M120 HydrophobicContact CD1-SD 4.07Å; Y117-M120 HydrophobicContact CD2-SD 4.34Å; Y117-M120 HydrophobicContact CE1-CE 4.3Å; Y117-M120 HydrophobicContact CE1-SD 4.18Å; Y117-M120 HydrophobicContact CE2-SD 4.44Å; Y117-M120 HydrophobicContact CG-SD 4.15Å; Y117-S121 WeakPolarHBondContact O-CB 3.44Å; Y117-S121 PolarHBondContact O-N 3.45Å; Y117-S121 PolarHBondContact O-OG 2.98Å; Y117-V152 VanDerWaalsContact CB-CG1 3.45Å; Y117-F155 HydrophobicContact CD1-CD1 4.21Å; Y117-F155 HydrophobicContact CD1-CE1 4.04Å; Y117-F155 HydrophobicContact CD2-CE1 4.11Å; Y117-F155 HydrophobicContact CE1-CD1 4.26Å; Y117-F155 AromaticContact CE1-CE1 3.68Å; Y117-F155 HydrophobicContact CE1-CE1 3.68Å; Y117-F155 HydrophobicContact CE1-CZ 4.31Å; Y117-F155 AromaticContact CE2-CE1 3.76Å; Y117-F155 HydrophobicContact CE2-CE1 3.76Å; Y117-F155 HydrophobicContact CG-CD1 4.37Å; Y117-F155 HydrophobicContact CG-CE1 4.25Å; Y117-F155 AromaticContact CZ-CE1 3.55Å; Y117-V206 HydrophobicContact CE2-CG1 4.09Å; Y117-V206 VanDerWaalsContact CE2-O 3.25Å; Y117-V206 WeakPolarHBondContact CE2-O 3.25Å; Y117-V206 WeakPolarHBondContact OH-CG1 3.43Å; Y117-V206 PolarHBondContact OH-O 2.66Å; Y117-P211 HydrophobicContact CE2-CG 4.37Å |
| 118 | I | 91.6 | Very high | 90.6 | Very high | 3 Ų | 3 | 24.2 Ų | 24.2 | 2% | 0.015 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -65.3 | -43.4 | 167.8 | -68.9 | 168.2 | 0 | 0 | 0 | 109.5 | A63 L64 C67 G114 S115 M120 S121 V122 V152 | A63-I118 HydrophobicContact CB-CD1 4.18Å; L64-I118 HydrophobicContact CB-CG2 3.73Å; L64-I118 HydrophobicContact CD1-CB 4.27Å; L64-I118 HydrophobicContact CD1-CG2 4.14Å; L64-I118 HydrophobicContact CG-CG2 4.45Å; C67-I118 HydrophobicContact CB-CD1 4.2Å; G114-I118 WeakPolarHBondContact O-CB 3.2Å; G114-I118 WeakPolarHBondContact O-CG1 3.41Å; G114-I118 PolarHBondContact O-N 3.35Å; S115-I118 PolarHBondContact O-N 2.96Å; I118-M120 PolarHBondContact O-N 2.77Å; I118-S121 CarbonylContact O-C 3.58Å; I118-S121 WeakPolarHBondContact O-CA 3.47Å; I118-S121 WeakPolarHBondContact O-CB 3.24Å; I118-S121 PolarHBondContact O-N 2.84Å; I118-V122 HydrophobicContact CG2-CG2 4.49Å; I118-V122 WeakPolarHBondContact O-CG2 3.31Å; I118-V122 PolarHBondContact O-N 3.47Å; I118-V152 HydrophobicContact CG1-CG1 3.88Å |
| 119 | T | 90.4 | Very high | 90.1 | Very high | 41 Ų | 41 | 25.2 Ų | 25.2 | 25% | 0.252 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -59.1 | -47 | 176.3 | -58.8 | 0 | 0 | 0 | 0 | 111.3 | L64 S115 I116 S121 V122 T123 L215 | L64-T119 WeakPolarHBondContact CD1-OG1 3.36Å; S115-T119 WeakPolarHBondContact O-CB 3.43Å; S115-T119 PolarHBondContact O-N 2.92Å; S115-T119 PolarHBondContact O-OG1 2.89Å; I116-T119 WeakPolarHBondContact O-CB 3.36Å; I116-T119 PolarHBondContact O-N 3.31Å; T119-S121 VanDerWaalsContact C-N 3.26Å; T119-S121 PolarHBondContact O-N 3.39Å; T119-V122 WeakPolarHBondContact O-CB 3.4Å; T119-V122 PolarHBondContact O-N 2.94Å; T119-T123 PolarHBondContact O-N 3.02Å; T119-T123 PolarHBondContact O-OG1 2.85Å; T119-L215 HydrophobicContact CG2-CD1 4.42Å; T119-L215 HydrophobicContact CG2-CD2 4.14Å |
| 120 | M | 89.6 | Confident | 89.6 | Confident | 19 Ų | 19 | 25.6 Ų | 25.6 | 9% | 0.094 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -57.3 | -40.6 | 173 | -67.9 | 166.6 | 67.2 | 0 | 0 | 112.1 | I116 Y117 I118 T123 L124 I210 P211 T214 L215 | I116-M120 HydrophobicContact CG2-SD 4.31Å; I116-M120 WeakPolarHBondContact O-CG 3.42Å; I116-M120 PolarHBondContact O-N 2.93Å; Y117-M120 HydrophobicContact CD1-CE 4.48Å; Y117-M120 HydrophobicContact CD1-SD 4.07Å; Y117-M120 HydrophobicContact CD2-SD 4.34Å; Y117-M120 HydrophobicContact CE1-CE 4.3Å; Y117-M120 HydrophobicContact CE1-SD 4.18Å; Y117-M120 HydrophobicContact CE2-SD 4.44Å; Y117-M120 HydrophobicContact CG-SD 4.15Å; I118-M120 PolarHBondContact O-N 2.77Å; M120-T123 PolarHBondContact O-N 3.35Å; M120-L124 WeakPolarHBondContact O-CB 3.25Å; M120-L124 PolarHBondContact O-N 2.85Å; M120-I210 HydrophobicContact CE-CG2 3.95Å; M120-P211 HydrophobicContact CG-CB 4.17Å; M120-P211 VanDerWaalsContact SD-CA 3.55Å; M120-P211 HydrophobicContact SD-CB 3.65Å; M120-P211 HydrophobicContact SD-CG 3.74Å; M120-T214 HydrophobicContact CB-CG2 4.4Å; M120-T214 HydrophobicContact CE-CG2 3.81Å; M120-T214 WeakPolarHBondContact CE-OG1 3.34Å; M120-T214 HydrophobicContact CG-CG2 4.38Å; M120-L215 HydrophobicContact CG-CD2 4.44Å; M120-L215 HydrophobicContact CG-CG 4.38Å |
| 121 | S | 90.1 | Very high | 89.2 | Confident | 17 Ų | 17 | 26.9 Ų | 26.9 | 12% | 0.119 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -66.6 | -39.5 | 179.1 | -58.5 | 0 | 0 | 0 | 0 | 112.3 | Y117 I118 T119 L124 E125 | Y117-S121 WeakPolarHBondContact O-CB 3.44Å; Y117-S121 PolarHBondContact O-N 3.45Å; Y117-S121 PolarHBondContact O-OG 2.98Å; I118-S121 CarbonylContact O-C 3.58Å; I118-S121 WeakPolarHBondContact O-CA 3.47Å; I118-S121 WeakPolarHBondContact O-CB 3.24Å; I118-S121 PolarHBondContact O-N 2.84Å; T119-S121 VanDerWaalsContact C-N 3.26Å; T119-S121 PolarHBondContact O-N 3.39Å; S121-L124 PolarHBondContact O-N 3.3Å; S121-E125 WeakPolarHBondContact O-CB 3.43Å; S121-E125 PolarHBondContact O-N 3.43Å |
| 122 | V | 86.9 | Confident | 88.8 | Confident | 21 Ų | 21 | 29.8 Ų | 29.8 | 13% | 0.127 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -58.7 | -50.6 | 171.5 | 175 | 0 | 0 | 0 | 0 | 109.8 | Y60 L61 I118 T119 L124 E125 R126 | Y60-V122 VanDerWaalsContact CB-CG2 3.42Å; Y60-V122 HydrophobicContact CG-CG2 4.18Å; L61-V122 HydrophobicContact CD2-CG1 4.22Å; L61-V122 HydrophobicContact CD2-CG2 4.24Å; I118-V122 HydrophobicContact CG2-CG2 4.49Å; I118-V122 WeakPolarHBondContact O-CG2 3.31Å; I118-V122 PolarHBondContact O-N 3.47Å; T119-V122 WeakPolarHBondContact O-CB 3.4Å; T119-V122 PolarHBondContact O-N 2.94Å; V122-L124 VanDerWaalsContact C-N 3.33Å; V122-L124 PolarHBondContact O-N 3.3Å; V122-E125 PolarHBondContact O-N 3.27Å; V122-R126 HydrophobicContact CG1-CG 4.4Å; V122-R126 WeakPolarHBondContact O-CG 3.28Å; V122-R126 PolarHBondContact O-N 3.11Å |
| 123 | T | 86 | Confident | 88.2 | Confident | 13 Ų | 13 | 31.8 Ų | 31.8 | 8% | 0.08 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.3 | -39.6 | -178.9 | -56.6 | 0 | 0 | 0 | 0 | 111.9 | T119 M120 R126 Y127 L215 F218 I222 | T119-T123 PolarHBondContact O-N 3.02Å; T119-T123 PolarHBondContact O-OG1 2.85Å; M120-T123 PolarHBondContact O-N 3.35Å; T123-R126 PolarHBondContact O-N 3.49Å; T123-Y127 WeakPolarHBondContact O-CB 3.27Å; T123-Y127 PolarHBondContact O-N 3.31Å; T123-L215 HydrophobicContact CG2-CD2 4.16Å; T123-L215 WeakPolarHBondContact OG1-CD2 3.35Å; T123-F218 HydrophobicContact CG2-CB 3.59Å; T123-F218 HydrophobicContact CG2-CD2 4.5Å; T123-I222 HydrophobicContact CG2-CD1 4.27Å |
| 124 | L | 88.5 | Confident | 87.3 | Confident | 71 Ų | 71 | 41.3 Ų | 41.3 | 37% | 0.372 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -63.7 | -43.7 | 175 | 176.3 | 60.5 | 0 | 0 | 0 | 111.6 | M120 S121 V122 Y127 L128 F218 | M120-L124 WeakPolarHBondContact O-CB 3.25Å; M120-L124 PolarHBondContact O-N 2.85Å; S121-L124 PolarHBondContact O-N 3.3Å; V122-L124 VanDerWaalsContact C-N 3.33Å; V122-L124 PolarHBondContact O-N 3.3Å; L124-Y127 HydrophobicContact CD1-CD1 4.23Å; L124-Y127 WeakPolarHBondContact O-CB 3.38Å; L124-Y127 PolarHBondContact O-N 3.11Å; L124-L128 HydrophobicContact CD1-CD1 4.37Å; L124-L128 HydrophobicContact CD1-CG 4.26Å; L124-L128 HydrophobicContact CG-CD1 4.34Å; L124-L128 WeakPolarHBondContact O-CG 3.4Å; L124-L128 PolarHBondContact O-N 3.39Å; L124-F218 HydrophobicContact CB-CD2 4.26Å; L124-F218 HydrophobicContact CB-CE2 4.03Å; L124-F218 HydrophobicContact CD1-CD2 4.32Å; L124-F218 HydrophobicContact CD1-CE2 3.62Å; L124-F218 HydrophobicContact CD1-CZ 3.75Å; L124-F218 HydrophobicContact CG-CE2 4.33Å |
| 125 | E | 85.4 | Confident | 86.2 | Confident | 11 Ų | 11 | 48.8 Ų | 48.8 | 5% | 0.051 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.3 | -46.4 | 175.9 | -174.7 | -79.7 | 148.6 | 0 | 0 | 111.1 | S57 Y60 S121 V122 Y127 L128 A129 C140 | S57-E125 WeakPolarHBondContact CB-OE2 3.35Å; S57-E125 PolarHBondContact OG-OE1 2.81Å; S57-E125 PolarHBondContact OG-OE2 2.9Å; Y60-E125 HydrophobicContact CD2-CB 4.39Å; Y60-E125 HydrophobicContact CD2-CG 4.46Å; Y60-E125 HydrophobicContact CE2-CB 4.02Å; Y60-E125 HydrophobicContact CE2-CG 4.12Å; S121-E125 WeakPolarHBondContact O-CB 3.43Å; S121-E125 PolarHBondContact O-N 3.43Å; V122-E125 PolarHBondContact O-N 3.27Å; E125-Y127 VanDerWaalsContact C-N 3.34Å; E125-Y127 PolarHBondContact O-N 3.02Å; E125-L128 PolarHBondContact O-N 2.92Å; E125-A129 WeakPolarHBondContact O-CB 3.26Å; E125-A129 PolarHBondContact O-N 3.34Å; E125-C140 HydrophobicContact CG-CB 4.46Å |
| 126 | R | 83.4 | Confident | 84.9 | Confident | 102 Ų | 102 | 51.8 Ų | 51.8 | 39% | 0.385 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61.2 | -41.5 | 174.8 | -67.4 | -68 | 82.2 | -168.1 | -4.4 | 112.1 | S57 V122 T123 A129 V130 I222 | S57-R126 PolarHBondContact OG-NE 3.15Å; S57-R126 PolarHBondContact OG-NH2 3.36Å; V122-R126 HydrophobicContact CG1-CG 4.4Å; V122-R126 WeakPolarHBondContact O-CG 3.28Å; V122-R126 PolarHBondContact O-N 3.11Å; T123-R126 PolarHBondContact O-N 3.49Å; R126-A129 PolarHBondContact O-N 3.35Å; R126-V130 WeakPolarHBondContact O-CB 3.18Å; R126-V130 VanDerWaalsContact O-CG2 3.29Å; R126-V130 WeakPolarHBondContact O-CG2 3.33Å; R126-V130 PolarHBondContact O-N 3.36Å; R126-I222 HydrophobicContact CB-CD1 3.96Å |
| 127 | Y | 87.2 | Confident | 83.4 | Confident | 48 Ų | 48 | 57.7 Ų | 57.7 | 19% | 0.188 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.4 | -48.2 | 175.5 | 167.3 | -97.8 | 0 | 0 | 0 | 111.4 | T123 L124 E125 A129 V130 V131 H132 F218 A221 I222 | T123-Y127 WeakPolarHBondContact O-CB 3.27Å; T123-Y127 PolarHBondContact O-N 3.31Å; L124-Y127 HydrophobicContact CD1-CD1 4.23Å; L124-Y127 WeakPolarHBondContact O-CB 3.38Å; L124-Y127 PolarHBondContact O-N 3.11Å; E125-Y127 VanDerWaalsContact C-N 3.34Å; E125-Y127 PolarHBondContact O-N 3.02Å; Y127-A129 VanDerWaalsContact C-N 3.33Å; Y127-A129 PolarHBondContact O-N 2.9Å; Y127-V130 PolarHBondContact O-N 2.58Å; Y127-V131 HydrophobicContact CD2-CB 4.03Å; Y127-V131 HydrophobicContact CD2-CG2 3.5Å; Y127-V131 HydrophobicContact CE2-CB 3.77Å; Y127-V131 HydrophobicContact CE2-CG1 3.91Å; Y127-V131 HydrophobicContact CE2-CG2 3.56Å; Y127-V131 HydrophobicContact CG-CG2 4.38Å; Y127-V131 VanDerWaalsContact O-CB 3.28Å; Y127-V131 WeakPolarHBondContact O-CB 3.41Å; Y127-V131 WeakPolarHBondContact O-CG2 3.38Å; Y127-V131 PolarHBondContact O-N 2.59Å; Y127-H132 AromaticContact CE1-CD2 3.67Å; Y127-H132 AromaticContact CE1-NE2 3.85Å; Y127-H132 AromaticContact CZ-CD2 3.79Å; Y127-H132 AromaticContact CZ-NE2 3.58Å; Y127-H132 PolarHBondContact OH-NE2 3.11Å; Y127-F218 HydrophobicContact CD1-CD1 4.27Å; Y127-F218 HydrophobicContact CD1-CE1 4.39Å; Y127-F218 HydrophobicContact CD2-CD1 4.17Å; Y127-F218 HydrophobicContact CE1-CE1 4.49Å; Y127-F218 HydrophobicContact CE2-CD1 4.48Å; Y127-F218 HydrophobicContact CG-CB 4.49Å; Y127-F218 HydrophobicContact CG-CD1 4.05Å; Y127-F218 HydrophobicContact CG-CG 4.33Å; Y127-A221 HydrophobicContact CD2-CB 3.88Å; Y127-A221 HydrophobicContact CE2-CB 3.62Å; Y127-I222 HydrophobicContact CD2-CG1 4.44Å |
| 128 | L | 88.3 | Confident | 81.8 | Confident | 36 Ų | 36 | 62.7 Ų | 62.7 | 19% | 0.188 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.8 | -41.3 | 178 | -68.6 | 173.5 | 0 | 0 | 0 | 111.5 | L124 E125 H132 | L124-L128 HydrophobicContact CD1-CD1 4.37Å; L124-L128 HydrophobicContact CD1-CG 4.26Å; L124-L128 HydrophobicContact CG-CD1 4.34Å; L124-L128 WeakPolarHBondContact O-CG 3.4Å; L124-L128 PolarHBondContact O-N 3.39Å; E125-L128 PolarHBondContact O-N 2.92Å; L128-H132 CarbonylContact O-C 3.53Å; L128-H132 WeakPolarHBondContact O-CA 3.46Å; L128-H132 PolarHBondContact O-N 2.83Å; L128-H132 VanDerWaalsContact O-N 3.09Å |
| 129 | A | 82.7 | Confident | 80.4 | Confident | 21 Ų | 21 | 65.3 Ų | 65.3 | 17% | 0.174 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65.9 | -40.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | E125 R126 Y127 L136 | E125-A129 WeakPolarHBondContact O-CB 3.26Å; E125-A129 PolarHBondContact O-N 3.34Å; R126-A129 PolarHBondContact O-N 3.35Å; Y127-A129 VanDerWaalsContact C-N 3.33Å; Y127-A129 PolarHBondContact O-N 2.9Å; A129-L136 HydrophobicContact CB-CD1 3.66Å |
| 130 | V | 83.8 | Confident | 79.5 | Confident | 25 Ų | 25 | 64.1 Ų | 64.1 | 15% | 0.152 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -85.2 | -47.3 | -175.4 | 173.8 | 0 | 0 | 0 | 0 | 112 | R126 Y127 I222 M226 | R126-V130 WeakPolarHBondContact O-CB 3.18Å; R126-V130 VanDerWaalsContact O-CG2 3.29Å; R126-V130 WeakPolarHBondContact O-CG2 3.33Å; R126-V130 PolarHBondContact O-N 3.36Å; Y127-V130 PolarHBondContact O-N 2.58Å; V130-I222 HydrophobicContact CG1-CG2 4.36Å; V130-I222 HydrophobicContact CG2-CG2 4.46Å; V130-M226 HydrophobicContact CG1-CE 4.48Å; V130-M226 HydrophobicContact CG1-CG 3.83Å; V130-M226 HydrophobicContact CG2-CE 3.97Å |
| 131 | V | 87.8 | Confident | 79 | Confident | 39 Ų | 39 | 68.5 Ų | 68.5 | 24% | 0.236 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -87.8 | -32.8 | -171.3 | -173.4 | 0 | 0 | 0 | 0 | 111.6 | Y127 P133 | Y127-V131 HydrophobicContact CD2-CB 4.03Å; Y127-V131 HydrophobicContact CD2-CG2 3.5Å; Y127-V131 HydrophobicContact CE2-CB 3.77Å; Y127-V131 HydrophobicContact CE2-CG1 3.91Å; Y127-V131 HydrophobicContact CE2-CG2 3.56Å; Y127-V131 HydrophobicContact CG-CG2 4.38Å; Y127-V131 VanDerWaalsContact O-CB 3.28Å; Y127-V131 WeakPolarHBondContact O-CB 3.41Å; Y127-V131 WeakPolarHBondContact O-CG2 3.38Å; Y127-V131 PolarHBondContact O-N 2.59Å; V131-P133 WeakPolarHBondContact O-CD 3.28Å |
| 132 | H | 85.9 | Confident | 78.5 | Confident | 67 Ų | 67 | 70.1 Ų | 70.1 | 31% | 0.31 | 35% | 0.346 | S | S | . | . | trans | -125.4 | 56 | -176.9 | -61.2 | -70.7 | 0 | 0 | 0 | 112.7 | Y127 L128 K134 R135 | Y127-H132 AromaticContact CE1-CD2 3.67Å; Y127-H132 AromaticContact CE1-NE2 3.85Å; Y127-H132 AromaticContact CZ-CD2 3.79Å; Y127-H132 AromaticContact CZ-NE2 3.58Å; Y127-H132 PolarHBondContact OH-NE2 3.11Å; L128-H132 CarbonylContact O-C 3.53Å; L128-H132 WeakPolarHBondContact O-CA 3.46Å; L128-H132 PolarHBondContact O-N 2.83Å; L128-H132 VanDerWaalsContact O-N 3.09Å; H132-K134 PolarHBondContact O-N 3.16Å; H132-R135 HydrophobicContact CB-CB 4.32Å; H132-R135 HydrophobicContact CB-CG 4.47Å; H132-R135 PolarHBondContact O-N 3.14Å | ||
| 133 | P | 78.6 | Confident | 78.3 | Confident | 73 Ų | 73 | 73.2 Ų | 73.2 | 47% | 0.474 | 37% | 0.368 | S | S | . | . | G | 310 helix | trans | -58.8 | -28.5 | -173.4 | 23.6 | -34.5 | 0 | 0 | 0 | 113.3 | V131 R135 L136 | V131-P133 WeakPolarHBondContact O-CD 3.28Å; P133-R135 PolarHBondContact O-N 3.18Å; P133-L136 WeakPolarHBondContact O-CB 3.37Å; P133-L136 PolarHBondContact O-N 3.35Å; P133-L136 VanDerWaalsContact O-N 3.15Å |
| 134 | K | 75.2 | Confident | 78.3 | Confident | 199 Ų | 199 | 75.2 Ų | 75.2 | 87% | 0.865 | 38% | 0.38 | S | S | * | . | G | 310 helix | trans | -65.5 | -23.6 | 175.4 | -64 | -171.6 | 179.5 | -174.1 | 0 | 113.5 | H132 | H132-K134 PolarHBondContact O-N 3.16Š|
| 135 | R | 71 | Confident | 78.3 | Confident | 161 Ų | 161 | 71.9 Ų | 71.9 | 61% | 0.608 | 36% | 0.363 | S | S | * | . | G | 310 helix | trans | -91.6 | -1.6 | 176.8 | -64.1 | -170.6 | 178.4 | -168.1 | 0.6 | 113 | H132 P133 H137 L138 S139 | H132-R135 HydrophobicContact CB-CB 4.32Å; H132-R135 HydrophobicContact CB-CG 4.47Å; H132-R135 PolarHBondContact O-N 3.14Å; P133-R135 PolarHBondContact O-N 3.18Å; R135-H137 VanDerWaalsContact C-N 3.25Å; R135-H137 PolarHBondContact O-N 3.32Å; R135-L138 PolarHBondContact O-N 2.87Å; R135-S139 PolarHBondContact O-N 3.43Å |
| 136 | L | 64.7 | Low | 78.7 | Confident | 65 Ų | 65 | 79.5 Ų | 79.5 | 34% | 0.34 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -55.1 | -41.8 | -177 | -169.2 | 81.7 | 0 | 0 | 0 | 112 | A129 P133 L138 C140 | A129-L136 HydrophobicContact CB-CD1 3.66Å; P133-L136 WeakPolarHBondContact O-CB 3.37Å; P133-L136 PolarHBondContact O-N 3.35Å; P133-L136 VanDerWaalsContact O-N 3.15Å; L136-L138 PolarHBondContact O-N 3.31Å; L136-L138 VanDerWaalsContact O-N 3.14Å; L136-C140 HydrophobicContact CD1-CB 3.86Å; L136-C140 HydrophobicContact CG-CB 4.33Å; L136-C140 PolarHBondContact O-N 3.44Å; L136-C140 VanDerWaalsContact O-N 3.17Å |
| 137 | H | 61.3 | Low | 79.2 | Confident | 147 Ų | 147 | 78.4 Ų | 78.4 | 68% | 0.681 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -65.9 | -12.9 | -180 | -62.3 | -56.1 | 0 | 0 | 0 | 114.6 | R135 K141 | R135-H137 VanDerWaalsContact C-N 3.25Å; R135-H137 PolarHBondContact O-N 3.32Å; H137-K141 WeakPolarHBondContact O-CE 3.39Å; H137-K141 PolarHBondContact O-NZ 2.94Å |
| 138 | L | 60.4 | Low | 79.6 | Confident | 137 Ų | 137 | 78.8 Ų | 78.8 | 72% | 0.717 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -99.8 | -39.6 | -179.5 | -71.9 | 154.7 | 0 | 0 | 0 | 111.9 | R135 L136 | R135-L138 PolarHBondContact O-N 2.87Å; L136-L138 PolarHBondContact O-N 3.31Å; L136-L138 VanDerWaalsContact O-N 3.14Å |
| 139 | S | 61.1 | Low | 79.9 | Confident | 59 Ų | 59 | 78.2 Ų | 78.2 | 41% | 0.413 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -110.4 | -22.2 | -166.7 | -56.1 | 0 | 0 | 0 | 0 | 115.1 | R135 | R135-S139 PolarHBondContact O-N 3.43Å |
| 140 | C | 71.7 | Confident | 80.6 | Confident | 16 Ų | 16 | 79.9 Ų | 79.9 | 11% | 0.108 | 42% | 0.415 | C | S | . | . | trans | -111.3 | 52.9 | -172.4 | -58.5 | 0 | 0 | 0 | 0 | 111.6 | P56 E125 L136 | P56-C140 WeakPolarHBondContact CG-O 3.48Å; E125-C140 HydrophobicContact CG-CB 4.46Å; L136-C140 HydrophobicContact CD1-CB 3.86Å; L136-C140 HydrophobicContact CG-CB 4.33Å; L136-C140 PolarHBondContact O-N 3.44Å; L136-C140 VanDerWaalsContact O-N 3.17Å | ||
| 141 | K | 78.8 | Confident | 81.3 | Confident | 110 Ų | 110 | 80.5 Ų | 80.5 | 48% | 0.478 | 43% | 0.427 | S | S | . | . | trans | -102.1 | 147.3 | 172.3 | -64.7 | -172.3 | -168.2 | 176.6 | 0 | 110.9 | H137 S143 T144 T145 | H137-K141 WeakPolarHBondContact O-CE 3.39Å; H137-K141 PolarHBondContact O-NZ 2.94Å; K141-S143 WeakPolarHBondContact CB-OG 3.29Å; K141-S143 PolarHBondContact O-N 3.42Å; K141-T144 WeakPolarHBondContact O-CA 3.32Å; K141-T144 PolarHBondContact O-N 3.3Å; K141-T145 PolarHBondContact O-N 3.46Å; K141-T145 PolarHBondContact O-OG1 2.92Å | ||
| 142 | V | 80.1 | Confident | 81.7 | Confident | 52 Ų | 52 | 79.4 Ų | 79.4 | 32% | 0.315 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -53.5 | -36.5 | 172.6 | 171.3 | 0 | 0 | 0 | 0 | 112 | P56 I59 T144 T145 | P56-V142 HydrophobicContact CG-CG2 4.36Å; I59-V142 HydrophobicContact CD1-CB 4.11Å; I59-V142 HydrophobicContact CD1-CG1 3.51Å; I59-V142 HydrophobicContact CD1-CG2 3.81Å; V142-T144 PolarHBondContact O-N 3.07Å; V142-T145 PolarHBondContact O-N 2.84Å |
| 143 | S | 82.4 | Confident | 82.3 | Confident | 85 Ų | 85 | 79.5 Ų | 79.5 | 59% | 0.594 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -62.5 | -28.4 | 176.4 | 57.2 | 0 | 0 | 0 | 0 | 113.3 | K141 P147 | K141-S143 WeakPolarHBondContact CB-OG 3.29Å; K141-S143 PolarHBondContact O-N 3.42Å; S143-P147 WeakPolarHBondContact O-CD 3.33Å; S143-P147 WeakPolarHBondContact O-CG 3.49Å |
| 144 | T | 85.7 | Confident | 83.2 | Confident | 55 Ų | 55 | 80 Ų | 80 | 34% | 0.337 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -92.4 | -32.8 | 179.8 | -46.7 | 0 | 0 | 0 | 0 | 111.5 | K141 V142 R146 P147 V148 | K141-T144 WeakPolarHBondContact O-CA 3.32Å; K141-T144 PolarHBondContact O-N 3.3Å; V142-T144 PolarHBondContact O-N 3.07Å; T144-R146 PolarHBondContact O-N 2.84Å; T144-P147 WeakPolarHBondContact O-CD 3.17Å; T144-V148 WeakPolarHBondContact O-CG2 3.33Å; T144-V148 PolarHBondContact O-N 3.38Å |
| 145 | T | 89.7 | Confident | 84.3 | Confident | 2 Ų | 2 | 74.1 Ų | 74.1 | 1% | 0.012 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -60.1 | -44.6 | -179.2 | -58.5 | 0 | 0 | 0 | 0 | 113.2 | P56 I59 Y60 K141 V142 V148 I149 | P56-T145 WeakPolarHBondContact CB-OG1 3.27Å; I59-T145 HydrophobicContact CB-CG2 3.93Å; I59-T145 HydrophobicContact CG2-CG2 3.7Å; Y60-T145 HydrophobicContact CD1-CG2 4.18Å; Y60-T145 HydrophobicContact CD2-CG2 3.76Å; Y60-T145 HydrophobicContact CE1-CG2 4.02Å; Y60-T145 HydrophobicContact CE2-CG2 3.61Å; Y60-T145 HydrophobicContact CG-CG2 4.04Å; K141-T145 PolarHBondContact O-N 3.46Å; K141-T145 PolarHBondContact O-OG1 2.92Å; V142-T145 PolarHBondContact O-N 2.84Å; T145-V148 PolarHBondContact O-N 2.82Å; T145-I149 HydrophobicContact CG2-CD1 3.79Å; T145-I149 HydrophobicContact CG2-CG1 4.47Å; T145-I149 WeakPolarHBondContact O-CG1 3.46Å; T145-I149 PolarHBondContact O-N 3.12Å |
| 146 | R | 92.1 | Very high | 85.6 | Confident | 170 Ų | 170 | 66.6 Ų | 66.6 | 64% | 0.642 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -64.9 | -46.8 | -176.9 | -66.6 | -179.6 | -177.6 | 176.3 | 0.8 | 112.9 | T144 V148 I149 A150 | T144-R146 PolarHBondContact O-N 2.84Å; R146-V148 VanDerWaalsContact C-N 3.3Å; R146-V148 PolarHBondContact O-N 3.18Å; R146-I149 PolarHBondContact O-N 2.85Å; R146-A150 PolarHBondContact O-N 3.25Å |
| 147 | P | 94.7 | Very high | 87.1 | Confident | 79 Ų | 79 | 66.9 Ų | 66.9 | 51% | 0.513 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -55.9 | -39.8 | 171.2 | -28.3 | 34.1 | 0 | 0 | 0 | 114 | S143 T144 A150 G151 | S143-P147 WeakPolarHBondContact O-CD 3.33Å; S143-P147 WeakPolarHBondContact O-CG 3.49Å; T144-P147 WeakPolarHBondContact O-CD 3.17Å; P147-A150 PolarHBondContact O-N 2.9Å; P147-G151 PolarHBondContact O-N 3.31Å |
| 148 | V | 94.9 | Very high | 88.9 | Confident | 56 Ų | 56 | 65.5 Ų | 65.5 | 34% | 0.339 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -63.3 | -47.3 | 177.7 | 174.8 | 0 | 0 | 0 | 0 | 110.9 | Y60 T144 T145 R146 A150 G151 V152 | Y60-V148 HydrophobicContact CE1-CB 4.42Å; Y60-V148 HydrophobicContact CE1-CG1 4.05Å; Y60-V148 WeakPolarHBondContact OH-CB 3.33Å; Y60-V148 WeakPolarHBondContact OH-CG1 3.29Å; T144-V148 WeakPolarHBondContact O-CG2 3.33Å; T144-V148 PolarHBondContact O-N 3.38Å; T145-V148 PolarHBondContact O-N 2.82Å; R146-V148 VanDerWaalsContact C-N 3.3Å; R146-V148 PolarHBondContact O-N 3.18Å; V148-A150 VanDerWaalsContact C-N 3.32Å; V148-A150 PolarHBondContact O-N 2.96Å; V148-G151 PolarHBondContact O-N 3.07Å; V148-V152 WeakPolarHBondContact O-CG2 3.25Å; V148-V152 PolarHBondContact O-N 3.35Å |
| 149 | I | 95.8 | Very high | 90.6 | Very high | 24 Ų | 24 | 60.4 Ų | 60.4 | 12% | 0.123 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -59.8 | -44.3 | 176.9 | -66 | 165.2 | 0 | 0 | 0 | 110.6 | I59 Y60 A63 T145 R146 G151 V152 V153 | I59-I149 HydrophobicContact CG2-CD1 3.71Å; Y60-I149 HydrophobicContact CD1-CD1 3.78Å; Y60-I149 HydrophobicContact CD1-CG1 3.52Å; Y60-I149 HydrophobicContact CE1-CD1 4.15Å; Y60-I149 HydrophobicContact CE1-CG1 3.59Å; Y60-I149 HydrophobicContact CG-CD1 4.4Å; A63-I149 HydrophobicContact CB-CD1 3.88Å; A63-I149 HydrophobicContact CB-CG1 4.38Å; A63-I149 HydrophobicContact CB-CG2 3.87Å; T145-I149 HydrophobicContact CG2-CD1 3.79Å; T145-I149 HydrophobicContact CG2-CG1 4.47Å; T145-I149 WeakPolarHBondContact O-CG1 3.46Å; T145-I149 PolarHBondContact O-N 3.12Å; R146-I149 PolarHBondContact O-N 2.85Å; I149-G151 VanDerWaalsContact C-N 3.33Å; I149-G151 PolarHBondContact O-N 3.18Å; I149-V152 PolarHBondContact O-N 2.56Å; I149-V153 WeakPolarHBondContact O-CG2 3.41Å; I149-V153 PolarHBondContact O-N 2.82Å |
| 150 | A | 97 | Very high | 92.3 | Very high | 56 Ų | 56 | 57.7 Ų | 57.7 | 46% | 0.463 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -60.4 | -43.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | R146 P147 V148 V152 V153 V154 | R146-A150 PolarHBondContact O-N 3.25Å; P147-A150 PolarHBondContact O-N 2.9Å; V148-A150 VanDerWaalsContact C-N 3.32Å; V148-A150 PolarHBondContact O-N 2.96Å; A150-V152 PolarHBondContact O-N 2.98Å; A150-V153 PolarHBondContact O-N 3.48Å; A150-V154 VanDerWaalsContact O-CG2 3.32Å; A150-V154 WeakPolarHBondContact O-CG2 3.23Å; A150-V154 PolarHBondContact O-N 3.47Å |
| 151 | G | 98 | Very high | 93.4 | Very high | 39 Ų | 39 | 62.2 Ų | 62.2 | 40% | 0.402 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -60.4 | -41.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | P147 V148 I149 V154 F155 | P147-G151 PolarHBondContact O-N 3.31Å; V148-G151 PolarHBondContact O-N 3.07Å; I149-G151 VanDerWaalsContact C-N 3.33Å; I149-G151 PolarHBondContact O-N 3.18Å; G151-V154 PolarHBondContact O-N 3.46Å; G151-F155 WeakPolarHBondContact O-CB 3.31Å; G151-F155 PolarHBondContact O-N 2.91Å |
| 152 | V | 97.5 | Very high | 94.1 | Very high | 15 Ų | 15 | 58.3 Ų | 58.3 | 9% | 0.091 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62.5 | -45 | 175.1 | 168.9 | 0 | 0 | 0 | 0 | 111.5 | Y117 I118 V148 I149 A150 F155 A156 | Y117-V152 VanDerWaalsContact CB-CG1 3.45Å; I118-V152 HydrophobicContact CG1-CG1 3.88Å; V148-V152 WeakPolarHBondContact O-CG2 3.25Å; V148-V152 PolarHBondContact O-N 3.35Å; I149-V152 PolarHBondContact O-N 2.56Å; A150-V152 PolarHBondContact O-N 2.98Å; V152-F155 PolarHBondContact O-N 2.93Å; V152-A156 WeakPolarHBondContact O-CB 3.24Å; V152-A156 PolarHBondContact O-N 3.04Å |
| 153 | V | 97.5 | Very high | 94.8 | Very high | 70 Ų | 70 | 56.2 Ų | 56.2 | 42% | 0.424 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.4 | -44.9 | 178.1 | 172.6 | 0 | 0 | 0 | 0 | 110.9 | I149 A150 F155 A156 V157 | I149-V153 WeakPolarHBondContact O-CG2 3.41Å; I149-V153 PolarHBondContact O-N 2.82Å; A150-V153 PolarHBondContact O-N 3.48Å; V153-F155 PolarHBondContact O-N 3.08Å; V153-A156 PolarHBondContact O-N 2.98Å; V153-V157 WeakPolarHBondContact O-CG2 3.41Å; V153-V157 PolarHBondContact O-N 2.83Å |
| 154 | V | 98.2 | Very high | 95.4 | Very high | 83 Ų | 83 | 54 Ų | 54 | 50% | 0.503 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -60.6 | -46.8 | 176.4 | 169.8 | 0 | 0 | 0 | 0 | 110.7 | A150 G151 A156 V157 L158 | A150-V154 VanDerWaalsContact O-CG2 3.32Å; A150-V154 WeakPolarHBondContact O-CG2 3.23Å; A150-V154 PolarHBondContact O-N 3.47Å; G151-V154 PolarHBondContact O-N 3.46Å; V154-A156 PolarHBondContact O-N 3.31Å; V154-V157 PolarHBondContact O-N 2.87Å; V154-L158 HydrophobicContact CG1-CD1 3.69Å; V154-L158 HydrophobicContact CG1-CG 4.2Å; V154-L158 WeakPolarHBondContact O-CB 3.5Å; V154-L158 VanDerWaalsContact O-CG 3.28Å; V154-L158 WeakPolarHBondContact O-CG 3.34Å; V154-L158 PolarHBondContact O-N 2.89Å |
| 155 | F | 98.2 | Very high | 95.9 | Very high | 76 Ų | 76 | 56.6 Ų | 56.6 | 33% | 0.333 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -58 | -47.4 | 175.8 | 169.6 | -103.2 | 0 | 0 | 0 | 111.8 | T113 Y117 G151 V152 V153 V157 L158 F159 V206 | T113-F155 HydrophobicContact CG2-CD1 4.43Å; T113-F155 HydrophobicContact CG2-CE1 4.06Å; Y117-F155 HydrophobicContact CD1-CD1 4.21Å; Y117-F155 HydrophobicContact CD1-CE1 4.04Å; Y117-F155 HydrophobicContact CD2-CE1 4.11Å; Y117-F155 HydrophobicContact CE1-CD1 4.26Å; Y117-F155 AromaticContact CE1-CE1 3.68Å; Y117-F155 HydrophobicContact CE1-CE1 3.68Å; Y117-F155 HydrophobicContact CE1-CZ 4.31Å; Y117-F155 AromaticContact CE2-CE1 3.76Å; Y117-F155 HydrophobicContact CE2-CE1 3.76Å; Y117-F155 HydrophobicContact CG-CD1 4.37Å; Y117-F155 HydrophobicContact CG-CE1 4.25Å; Y117-F155 AromaticContact CZ-CE1 3.55Å; G151-F155 WeakPolarHBondContact O-CB 3.31Å; G151-F155 PolarHBondContact O-N 2.91Å; V152-F155 PolarHBondContact O-N 2.93Å; V153-F155 PolarHBondContact O-N 3.08Å; F155-V157 VanDerWaalsContact C-N 3.33Å; F155-V157 PolarHBondContact O-N 2.91Å; F155-L158 PolarHBondContact O-N 3.39Å; F155-F159 HydrophobicContact CE2-CB 4.38Å; F155-F159 HydrophobicContact CZ-CB 4.33Å; F155-F159 HydrophobicContact CZ-CD2 4.36Å; F155-F159 HydrophobicContact CZ-CG 4.42Å; F155-F159 VanDerWaalsContact O-CB 3.23Å; F155-F159 WeakPolarHBondContact O-CB 3.44Å; F155-F159 PolarHBondContact O-N 3.01Å; F155-V206 HydrophobicContact CE1-CG1 4.1Å; F155-V206 HydrophobicContact CZ-CG1 3.74Å |
| 156 | A | 97.5 | Very high | 96.1 | Very high | 2 Ų | 2 | 56.6 Ų | 56.6 | 2% | 0.017 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62 | -40 | -179 | 0 | 0 | 0 | 0 | 0 | 112.5 | A110 T113 V152 V153 V154 N160 | A110-A156 WeakPolarHBondContact O-CB 3.26Å; T113-A156 HydrophobicContact CG2-CB 3.96Å; V152-A156 WeakPolarHBondContact O-CB 3.24Å; V152-A156 PolarHBondContact O-N 3.04Å; V153-A156 PolarHBondContact O-N 2.98Å; V154-A156 PolarHBondContact O-N 3.31Å; A156-N160 PolarHBondContact O-N 3.34Å; A156-N160 PolarHBondContact O-ND2 3.09Å |
| 157 | V | 97.5 | Very high | 96.2 | Very high | 71 Ų | 71 | 49.9 Ų | 49.9 | 43% | 0.43 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -68.5 | -48.9 | 175.6 | 172 | 0 | 0 | 0 | 0 | 111 | A110 V153 V154 F155 N160 F161 | A110-V157 HydrophobicContact CB-CG2 4.46Å; V153-V157 WeakPolarHBondContact O-CG2 3.41Å; V153-V157 PolarHBondContact O-N 2.83Å; V154-V157 PolarHBondContact O-N 2.87Å; F155-V157 VanDerWaalsContact C-N 3.33Å; F155-V157 PolarHBondContact O-N 2.91Å; V157-N160 CarbonylContact O-C 3.52Å; V157-N160 PolarHBondContact O-N 2.93Å; V157-F161 WeakPolarHBondContact O-CA 3.28Å; V157-F161 WeakPolarHBondContact O-CB 3.17Å; V157-F161 PolarHBondContact O-N 3.39Å |
| 158 | L | 97.4 | Very high | 96.2 | Very high | 118 Ų | 118 | 50 Ų | 50 | 62% | 0.618 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -63.6 | -43.9 | -179 | -71.4 | 177.3 | 0 | 0 | 0 | 111.9 | V154 F155 N160 F161 | V154-L158 HydrophobicContact CG1-CD1 3.69Å; V154-L158 HydrophobicContact CG1-CG 4.2Å; V154-L158 WeakPolarHBondContact O-CB 3.5Å; V154-L158 VanDerWaalsContact O-CG 3.28Å; V154-L158 WeakPolarHBondContact O-CG 3.34Å; V154-L158 PolarHBondContact O-N 2.89Å; F155-L158 PolarHBondContact O-N 3.39Å; L158-N160 VanDerWaalsContact C-N 3.25Å; L158-N160 PolarHBondContact O-N 3.29Å; L158-F161 WeakPolarHBondContact O-CB 3.33Å; L158-F161 PolarHBondContact O-N 2.83Å |
| 159 | F | 96.7 | Very high | 96.2 | Very high | 30 Ų | 30 | 50 Ų | 50 | 13% | 0.132 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -58.9 | -40 | 178.8 | -176.5 | -99.1 | 0 | 0 | 0 | 111.2 | F155 Y198 L202 V206 Q207 | F155-F159 HydrophobicContact CE2-CB 4.38Å; F155-F159 HydrophobicContact CZ-CB 4.33Å; F155-F159 HydrophobicContact CZ-CD2 4.36Å; F155-F159 HydrophobicContact CZ-CG 4.42Å; F155-F159 VanDerWaalsContact O-CB 3.23Å; F155-F159 WeakPolarHBondContact O-CB 3.44Å; F155-F159 PolarHBondContact O-N 3.01Å; F159-Y198 HydrophobicContact CE2-CE2 4.42Å; F159-Y198 HydrophobicContact CZ-CE2 4.35Å; F159-Y198 WeakPolarHBondContact O-CE2 3.29Å; F159-Y198 PolarHBondContact O-OH 3.46Å; F159-L202 HydrophobicContact CE2-CB 4.5Å; F159-L202 HydrophobicContact CZ-CB 4.42Å; F159-V206 HydrophobicContact CD1-CG1 4.18Å; F159-V206 HydrophobicContact CD2-CG1 4.11Å; F159-V206 HydrophobicContact CD2-CG2 4.42Å; F159-V206 HydrophobicContact CE1-CB 4.25Å; F159-V206 HydrophobicContact CE1-CG1 3.95Å; F159-V206 HydrophobicContact CE2-CB 3.94Å; F159-V206 HydrophobicContact CE2-CG1 3.88Å; F159-V206 HydrophobicContact CE2-CG2 3.67Å; F159-V206 HydrophobicContact CG-CG1 4.26Å; F159-V206 HydrophobicContact CZ-CB 3.72Å; F159-V206 HydrophobicContact CZ-CG1 3.8Å; F159-V206 HydrophobicContact CZ-CG2 3.91Å; F159-Q207 HydrophobicContact CE1-CG 4.44Å |
| 160 | N | 96.2 | Very high | 96.1 | Very high | 2 Ų | 2 | 50.5 Ų | 50.5 | 1% | 0.011 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | 5.3 | -178.6 | -68.4 | -78.3 | 0 | 0 | 0 | 113.8 | N109 A110 T113 A156 V157 L158 S162 K163 | N109-N160 HydrophobicContact CB-CB 4.38Å; N109-N160 WeakPolarHBondContact CB-OD1 3.35Å; N109-N160 PolarHBondContact O-ND2 3.32Å; A110-N160 HydrophobicContact CB-CB 4.22Å; T113-N160 PolarHBondContact OG1-ND2 2.95Å; A156-N160 PolarHBondContact O-N 3.34Å; A156-N160 PolarHBondContact O-ND2 3.09Å; V157-N160 CarbonylContact O-C 3.52Å; V157-N160 PolarHBondContact O-N 2.93Å; L158-N160 VanDerWaalsContact C-N 3.25Å; L158-N160 PolarHBondContact O-N 3.29Å; N160-S162 VanDerWaalsContact C-N 3.31Å; N160-S162 PolarHBondContact O-N 3.47Å; N160-K163 HydrophobicContact CB-CD 4.2Å; N160-K163 VanDerWaalsContact O-CB 3.25Å; N160-K163 WeakPolarHBondContact O-CB 3.23Å; N160-K163 PolarHBondContact O-N 3.15Å; N160-K163 VanDerWaalsContact O-N 3.14Å; N160-K163 WeakPolarHBondContact OD1-CE 3.42Å |
| 161 | F | 95.6 | Very high | 95.9 | Very high | 112 Ų | 112 | 54.2 Ų | 54.2 | 49% | 0.491 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -64.5 | -36.2 | -173.6 | -177.2 | -107.1 | 0 | 0 | 0 | 112.5 | V157 L158 K163 V164 F165 | V157-F161 WeakPolarHBondContact O-CA 3.28Å; V157-F161 WeakPolarHBondContact O-CB 3.17Å; V157-F161 PolarHBondContact O-N 3.39Å; L158-F161 WeakPolarHBondContact O-CB 3.33Å; L158-F161 PolarHBondContact O-N 2.83Å; F161-K163 PolarHBondContact O-N 2.85Å; F161-K163 VanDerWaalsContact O-N 3.16Å; F161-V164 HydrophobicContact CD2-CG2 4.48Å; F161-V164 WeakPolarHBondContact O-CB 3.27Å; F161-V164 VanDerWaalsContact O-CG2 3.31Å; F161-V164 WeakPolarHBondContact O-CG2 3.43Å; F161-V164 PolarHBondContact O-N 3.48Å; F161-V164 VanDerWaalsContact O-N 3.11Å; F161-F165 HydrophobicContact CD1-CE2 4.12Å; F161-F165 AromaticContact CE1-CE2 3.6Å; F161-F165 HydrophobicContact CE1-CE2 3.6Å; F161-F165 HydrophobicContact CE1-CZ 4.1Å; F161-F165 HydrophobicContact CZ-CE2 4.01Å; F161-F165 HydrophobicContact CZ-CZ 4.14Å |
| 162 | S | 94.3 | Very high | 95.6 | Very high | 27 Ų | 27 | 54.5 Ų | 54.5 | 19% | 0.189 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -59.5 | -27.4 | 177.8 | 59 | 0 | 0 | 0 | 0 | 112.9 | N160 V164 F165 Y194 Y198 | N160-S162 VanDerWaalsContact C-N 3.31Å; N160-S162 PolarHBondContact O-N 3.47Å; S162-V164 PolarHBondContact O-N 2.98Å; S162-F165 PolarHBondContact O-N 3.35Å; S162-Y194 VanDerWaalsContact CB-OH 3.28Å; S162-Y194 WeakPolarHBondContact CB-OH 3.46Å; S162-Y194 PolarHBondContact OG-OH 2.98Å; S162-Y198 WeakPolarHBondContact OG-CE1 3.23Å; S162-Y198 PolarHBondContact OG-OH 3.15Å |
| 163 | K | 94.6 | Very high | 95.2 | Very high | 8 Ų | 8 | 59.3 Ų | 59.3 | 4% | 0.035 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -60.7 | -24.1 | 177.2 | -64.5 | -176.2 | 168.1 | -69.4 | 0 | 113.8 | Y105 P106 N109 N160 F161 F165 E166 | Y105-K163 HydrophobicContact CD1-CB 4.21Å; Y105-K163 HydrophobicContact CE1-CB 3.83Å; Y105-K163 HydrophobicContact CE1-CD 4.04Å; Y105-K163 HydrophobicContact CE1-CG 4.13Å; Y105-K163 PolarHBondContact OH-NZ 2.94Å; P106-K163 HydrophobicContact CB-CB 3.88Å; N109-K163 HydrophobicContact CB-CD 3.65Å; N109-K163 WeakPolarHBondContact OD1-CE 3.12Å; N160-K163 HydrophobicContact CB-CD 4.2Å; N160-K163 VanDerWaalsContact O-CB 3.25Å; N160-K163 WeakPolarHBondContact O-CB 3.23Å; N160-K163 PolarHBondContact O-N 3.15Å; N160-K163 VanDerWaalsContact O-N 3.14Å; N160-K163 WeakPolarHBondContact OD1-CE 3.42Å; F161-K163 PolarHBondContact O-N 2.85Å; F161-K163 VanDerWaalsContact O-N 3.16Å; K163-F165 PolarHBondContact O-N 2.88Å; K163-E166 IonicContact NZ-OE1 3.37Å; K163-E166 IonicContact NZ-OE2 3.59Å; K163-E166 PolarHBondContact O-N 3.43Å |
| 164 | V | 95 | Very high | 94.9 | Very high | 38 Ų | 38 | 60.7 Ų | 60.7 | 23% | 0.23 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -59.5 | -28.9 | 173.5 | 178.3 | 0 | 0 | 0 | 0 | 111.5 | K102 P106 F161 S162 | K102-V164 WeakPolarHBondContact CE-O 3.46Å; P106-V164 HydrophobicContact CB-CG2 3.83Å; P106-V164 HydrophobicContact CG-CG2 3.78Å; F161-V164 HydrophobicContact CD2-CG2 4.48Å; F161-V164 WeakPolarHBondContact O-CB 3.27Å; F161-V164 VanDerWaalsContact O-CG2 3.31Å; F161-V164 WeakPolarHBondContact O-CG2 3.43Å; F161-V164 PolarHBondContact O-N 3.48Å; F161-V164 VanDerWaalsContact O-N 3.11Å; S162-V164 PolarHBondContact O-N 2.98Å |
| 165 | F | 95.1 | Very high | 94.6 | Very high | 111 Ų | 111 | 57.2 Ų | 57.2 | 49% | 0.487 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -102.3 | 3 | -177.8 | -51.3 | -74.5 | 0 | 0 | 0 | 113.1 | F161 S162 K163 T186 L188 | F161-F165 HydrophobicContact CD1-CE2 4.12Å; F161-F165 AromaticContact CE1-CE2 3.6Å; F161-F165 HydrophobicContact CE1-CE2 3.6Å; F161-F165 HydrophobicContact CE1-CZ 4.1Å; F161-F165 HydrophobicContact CZ-CE2 4.01Å; F161-F165 HydrophobicContact CZ-CZ 4.14Å; S162-F165 PolarHBondContact O-N 3.35Å; K163-F165 PolarHBondContact O-N 2.88Å; F165-T186 VanDerWaalsContact O-CB 3.27Å; F165-T186 WeakPolarHBondContact O-CB 3.37Å; F165-T186 WeakPolarHBondContact O-CG2 3.41Å; F165-T186 PolarHBondContact O-OG1 3.27Å; F165-L188 HydrophobicContact CB-CD2 3.89Å |
| 166 | E | 94.5 | Very high | 94.1 | Very high | 2 Ų | 2 | 62.9 Ų | 62.9 | 1% | 0.009 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | -32.9 | -178.1 | -79 | 177.9 | -177.6 | 0 | 0 | 112.9 | Y105 K163 T186 L189 Y194 | Y105-E166 WeakPolarHBondContact CE1-OE2 3.5Å; Y105-E166 PolarHBondContact OH-OE2 3.49Å; K163-E166 IonicContact NZ-OE1 3.37Å; K163-E166 IonicContact NZ-OE2 3.59Å; K163-E166 PolarHBondContact O-N 3.43Å; E166-T186 PolarHBondContact O-N 2.78Å; E166-T186 PolarHBondContact O-OG1 2.83Å; E166-L189 HydrophobicContact CB-CB 4.15Å; E166-L189 HydrophobicContact CB-CD2 4.28Å; E166-L189 HydrophobicContact CG-CB 4.29Å; E166-L189 HydrophobicContact CG-CD1 4.3Å; E166-L189 WeakPolarHBondContact O-CB 3.32Å; E166-Y194 HydrophobicContact CG-CE1 3.97Å; E166-Y194 VanDerWaalsContact OE1-CE1 3.27Å; E166-Y194 WeakPolarHBondContact OE1-CE1 3.48Å; E166-Y194 PolarHBondContact OE1-OH 3.21Å |
| 167 | I | 94.4 | Very high | 93.8 | Very high | 29 Ų | 29 | 64 Ų | 64 | 15% | 0.149 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 142.2 | -175 | 60.5 | 177.8 | 0 | 0 | 0 | 111.7 | K102 Y105 L183 | K102-I167 HydrophobicContact CG-CG1 4.43Å; Y105-I167 HydrophobicContact CD1-CD1 4.22Å; Y105-I167 HydrophobicContact CG-CD1 4.29Å; I167-L183 HydrophobicContact CB-CD2 4.01Å; I167-L183 HydrophobicContact CD1-CD2 3.95Å; I167-L183 HydrophobicContact CG1-CD2 4.34Å |
| 168 | K | 94.5 | Very high | 93.6 | Very high | 82 Ų | 82 | 62.1 Ų | 62.1 | 36% | 0.357 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 143.8 | 171.4 | 59.1 | 171.9 | -176.4 | 157.9 | 0 | 109.7 | V170 E184 T186 | K168-V170 HydrophobicContact CD-CG2 4.01Å; K168-V170 HydrophobicContact CG-CG2 4.18Å; K168-E184 HydrophobicContact CD-CB 4.42Å; K168-E184 VanDerWaalsContact CE-CB 3.47Å; K168-E184 WeakPolarHBondContact CE-OE2 3.4Å; K168-E184 HydrophobicContact CG-CB 3.97Å; K168-E184 WeakPolarHBondContact CG-O 3.04Å; K168-E184 PolarHBondContact N-O 2.91Å; K168-E184 IonicContact NZ-OE2 3.81Å; K168-E184 PolarHBondContact NZ-OE2 3.19Å; K168-E184 PolarHBondContact O-N 2.83Å; K168-T186 HydrophobicContact CB-CG2 4.04Å; K168-T186 HydrophobicContact CD-CG2 4.5Å; K168-T186 HydrophobicContact CG-CG2 4.05Å |
| 169 | V | 94.3 | Very high | 93.3 | Very high | 55 Ų | 55 | 57 Ų | 57 | 33% | 0.333 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 123 | 168.9 | 174.7 | 0 | 0 | 0 | 0 | 107.1 | Y98 V101 L181 S182 L183 | Y98-V169 HydrophobicContact CD1-CB 4.48Å; Y98-V169 HydrophobicContact CD1-CG1 3.76Å; Y98-V169 HydrophobicContact CD1-CG2 4.01Å; V101-V169 HydrophobicContact CG1-CG2 4.37Å; V169-L181 HydrophobicContact CG1-CD2 4.03Å; V169-S182 WeakPolarHBondContact CA-O 3.38Å; V169-L183 HydrophobicContact CG2-CD2 4.28Å |
| 170 | V | 93.3 | Very high | 93.1 | Very high | 34 Ų | 34 | 55.9 Ų | 55.9 | 21% | 0.206 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 132.1 | 176.6 | -177.9 | 0 | 0 | 0 | 0 | 108.1 | K168 Y172 L181 S182 E184 | K168-V170 HydrophobicContact CD-CG2 4.01Å; K168-V170 HydrophobicContact CG-CG2 4.18Å; V170-Y172 HydrophobicContact CB-CE2 4.23Å; V170-Y172 HydrophobicContact CG1-CD2 4.49Å; V170-Y172 HydrophobicContact CG1-CE1 4.21Å; V170-Y172 HydrophobicContact CG1-CE2 3.87Å; V170-L181 CarbonylContact O-C 3.59Å; V170-L181 VanDerWaalsContact O-CA 3.31Å; V170-L181 WeakPolarHBondContact O-CA 3.29Å; V170-S182 PolarHBondContact N-O 3.31Å; V170-S182 PolarHBondContact O-N 3.42Å; V170-E184 HydrophobicContact CG2-CB 4.34Å; V170-E184 HydrophobicContact CG2-CG 4.29Å |
| 171 | E | 93.2 | Very high | 93 | Very high | 135 Ų | 135 | 57 Ų | 57 | 63% | 0.631 | 29% | 0.291 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 135.9 | 174.8 | -173.3 | 171.6 | -175.4 | 0 | 0 | 109.6 | P173 S180 L181 | E171-P173 WeakPolarHBondContact O-CD 3.45Å; E171-S180 WeakPolarHBondContact CA-O 3.3Å; E171-L181 HydrophobicContact CB-CD2 3.89Å; E171-L181 HydrophobicContact CG-CD2 3.97Å |
| 172 | Y | 92.4 | Very high | 92.8 | Very high | 45 Ų | 45 | 53 Ų | 53 | 18% | 0.176 | 28% | 0.276 | C | S | . | . | trans | -112.6 | 93.9 | 176.9 | -66.5 | -78.4 | 0 | 0 | 0 | 108.8 | Q10 V170 Q174 C175 S180 S182 E184 | Q10-Y172 HydrophobicContact CG-CD1 4.48Å; Q10-Y172 HydrophobicContact CG-CE1 4.38Å; V170-Y172 HydrophobicContact CB-CE2 4.23Å; V170-Y172 HydrophobicContact CG1-CD2 4.49Å; V170-Y172 HydrophobicContact CG1-CE1 4.21Å; V170-Y172 HydrophobicContact CG1-CE2 3.87Å; Y172-Q174 PolarHBondContact O-N 2.93Å; Y172-Q174 VanDerWaalsContact O-N 3.1Å; Y172-C175 PolarHBondContact O-N 3.33Å; Y172-S180 PolarHBondContact N-O 3.5Å; Y172-S182 WeakPolarHBondContact CE2-OG 3.36Å; Y172-E184 PolarHBondContact OH-OE1 3.22Å | ||
| 173 | P | 88.7 | Confident | 92.6 | Very high | 115 Ų | 115 | 54.6 Ų | 54.6 | 75% | 0.747 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -26.3 | -174.1 | -23.2 | 32.7 | 0 | 0 | 0 | 113.7 | E171 C175 | E171-P173 WeakPolarHBondContact O-CD 3.45Å; P173-C175 VanDerWaalsContact C-N 3.26Å; P173-C175 PolarHBondContact O-N 3.35Å |
| 174 | Q | 91.3 | Very high | 92.5 | Very high | 100 Ų | 100 | 57 Ų | 57 | 47% | 0.467 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -15.6 | 177.2 | 68.8 | -84.4 | 23.8 | 0 | 0 | 113.5 | Q10 Y172 | Q10-Q174 VanDerWaalsContact OE1-NE2 3.15Å; Y172-Q174 PolarHBondContact O-N 2.93Å; Y172-Q174 VanDerWaalsContact O-N 3.1Å |
| 175 | C | 91.3 | Very high | 92.3 | Very high | 9 Ų | 9 | 57.4 Ų | 57.4 | 6% | 0.061 | 30% | 0.302 | C | S | . | . | trans | -102.5 | 149.2 | -175.1 | -55.8 | 0 | 0 | 0 | 0 | 111.8 | C11 Y172 P173 G179 | C11-C175 WeakPolarHBondContact CA-SG 3.44Å; C11-C175 HydrophobicContact CB-CB 3.67Å; C11-C175 WeakPolarHBondContact CB-SG 3.25Å; C11-C175 WeakPolarHBondContact SG-CA 3.45Å; C11-C175 WeakPolarHBondContact SG-CB 2.84Å; C11-C175 CovalentContact SG-SG 2.04Å; C11-C175 PolarHBondContact SG-SG 3.14Å; Y172-C175 PolarHBondContact O-N 3.33Å; P173-C175 VanDerWaalsContact C-N 3.26Å; P173-C175 PolarHBondContact O-N 3.35Å; C175-G179 WeakPolarHBondContact CB-O 3.42Å | ||
| 176 | K | 89.2 | Confident | 92.3 | Very high | 195 Ų | 195 | 53 Ų | 53 | 85% | 0.848 | 28% | 0.284 | S | S | * | . | trans | -117.9 | 158.7 | 177.9 | -66.6 | -174.5 | -179.3 | 179.4 | 0 | 110.8 | G179 | K176-G179 PolarHBondContact O-N 2.99Š| ||
| 177 | G | 91.5 | Very high | 92.3 | Very high | 26 Ų | 26 | 58.3 Ų | 58.3 | 27% | 0.268 | 32% | 0.319 | S | S | . | . | G | 310 helix | trans | 62.1 | -135.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | G179 S180 | G177-G179 PolarHBondContact O-N 3.4Å; G177-S180 WeakPolarHBondContact O-CB 2.98Å; G177-S180 PolarHBondContact O-N 3.43Å; G177-S180 PolarHBondContact O-OG 2.74Å |
| 178 | F | 92.1 | Very high | 92.3 | Very high | 32 Ų | 32 | 59.9 Ų | 59.9 | 14% | 0.14 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -67.8 | -17.7 | -177.7 | -73.7 | -81.6 | 0 | 0 | 0 | 115 | Y13 Y85 E89 V91 Y94 S180 | Y13-F178 HydrophobicContact CD1-CB 3.55Å; Y13-F178 HydrophobicContact CD1-CD1 4.27Å; Y13-F178 HydrophobicContact CD1-CG 4.01Å; Y13-F178 HydrophobicContact CD2-CB 3.9Å; Y13-F178 WeakPolarHBondContact CD2-O 3.16Å; Y13-F178 HydrophobicContact CE1-CB 4.09Å; Y13-F178 AromaticContact CE1-CD1 3.94Å; Y13-F178 HydrophobicContact CE1-CD1 3.94Å; Y13-F178 HydrophobicContact CE1-CG 4.11Å; Y13-F178 HydrophobicContact CE2-CB 4.44Å; Y13-F178 HydrophobicContact CE2-CD1 4.38Å; Y13-F178 HydrophobicContact CG-CB 3.42Å; Y13-F178 VanDerWaalsContact CG-CB 3.42Å; Y13-F178 HydrophobicContact CG-CG 4.32Å; Y85-F178 AromaticContact CD2-CE1 3.63Å; Y85-F178 HydrophobicContact CD2-CE1 3.63Å; Y85-F178 HydrophobicContact CD2-CZ 4.43Å; Y85-F178 HydrophobicContact CE2-CE1 4.08Å; E89-F178 HydrophobicContact CB-CE2 4.39Å; V91-F178 HydrophobicContact CG2-CD2 4.12Å; V91-F178 HydrophobicContact CG2-CE2 3.9Å; V91-F178 HydrophobicContact CG2-CZ 4.48Å; Y94-F178 HydrophobicContact CD1-CD1 4.2Å; Y94-F178 AromaticContact CD2-CD1 3.47Å; Y94-F178 HydrophobicContact CD2-CD1 3.47Å; Y94-F178 VanDerWaalsContact CD2-CD1 3.47Å; Y94-F178 AromaticContact CD2-CE1 3.67Å; Y94-F178 HydrophobicContact CD2-CE1 3.67Å; Y94-F178 AromaticContact CE2-CD1 3.81Å; Y94-F178 HydrophobicContact CE2-CD1 3.81Å; Y94-F178 HydrophobicContact CE2-CE1 4.44Å; Y94-F178 AromaticContact CG-CD1 3.67Å; Y94-F178 HydrophobicContact CG-CD1 3.67Å; Y94-F178 AromaticContact CG-CE1 3.71Å; Y94-F178 HydrophobicContact CG-CE1 3.71Å; Y94-F178 PolarHBondContact OH-O 3.5Å; F178-S180 VanDerWaalsContact C-N 3.28Å |
| 179 | G | 91.2 | Very high | 92.1 | Very high | 10 Ų | 10 | 57.9 Ų | 57.9 | 10% | 0.103 | 32% | 0.32 | C | S | . | . | G | 310 helix | trans | -82.2 | -3.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | C175 K176 G177 | C175-G179 WeakPolarHBondContact CB-O 3.42Å; K176-G179 PolarHBondContact O-N 2.99Å; G177-G179 PolarHBondContact O-N 3.4Å |
| 180 | S | 92.8 | Very high | 92 | Very high | 7 Ų | 7 | 58.8 Ų | 58.8 | 5% | 0.049 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -77.2 | -19.1 | -173.8 | 61.4 | 0 | 0 | 0 | 0 | 114.5 | E171 Y172 G177 F178 | E171-S180 WeakPolarHBondContact CA-O 3.3Å; Y172-S180 PolarHBondContact N-O 3.5Å; G177-S180 WeakPolarHBondContact O-CB 2.98Å; G177-S180 PolarHBondContact O-N 3.43Å; G177-S180 PolarHBondContact O-OG 2.74Å; F178-S180 VanDerWaalsContact C-N 3.28Å |
| 181 | L | 93.4 | Very high | 91.9 | Very high | 25 Ų | 25 | 60.9 Ų | 60.9 | 13% | 0.131 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 151.8 | -178.9 | -61.4 | 165.5 | 0 | 0 | 0 | 110.1 | Y94 K95 Y98 V169 V170 E171 | Y94-L181 HydrophobicContact CD1-CD1 4.44Å; Y94-L181 HydrophobicContact CE1-CB 3.9Å; Y94-L181 HydrophobicContact CE1-CD1 3.96Å; Y94-L181 HydrophobicContact CE1-CG 4.25Å; Y94-L181 WeakPolarHBondContact OH-CB 3.45Å; Y94-L181 PolarHBondContact OH-O 3.09Å; K95-L181 HydrophobicContact CB-CD1 4.42Å; K95-L181 HydrophobicContact CG-CD1 3.96Å; Y98-L181 HydrophobicContact CD1-CB 3.85Å; Y98-L181 HydrophobicContact CD1-CD1 4.42Å; Y98-L181 HydrophobicContact CD2-CD1 4.47Å; Y98-L181 HydrophobicContact CE1-CB 4.04Å; Y98-L181 HydrophobicContact CG-CB 4.11Å; Y98-L181 HydrophobicContact CG-CD1 3.96Å; V169-L181 HydrophobicContact CG1-CD2 4.03Å; V170-L181 CarbonylContact O-C 3.59Å; V170-L181 VanDerWaalsContact O-CA 3.31Å; V170-L181 WeakPolarHBondContact O-CA 3.29Å; E171-L181 HydrophobicContact CB-CD2 3.89Å; E171-L181 HydrophobicContact CG-CD2 3.97Å |
| 182 | S | 91.2 | Very high | 91.7 | Very high | 27 Ų | 27 | 59.8 Ų | 59.8 | 19% | 0.189 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 151.3 | 168.7 | 77.4 | 0 | 0 | 0 | 0 | 111.4 | V169 V170 Y172 E184 | V169-S182 WeakPolarHBondContact CA-O 3.38Å; V170-S182 PolarHBondContact N-O 3.31Å; V170-S182 PolarHBondContact O-N 3.42Å; Y172-S182 WeakPolarHBondContact CE2-OG 3.36Å; S182-E184 PolarHBondContact OG-OE1 2.96Å; S182-E184 VanDerWaalsContact OG-OE1 3.1Å |
| 183 | L | 91.3 | Very high | 91.7 | Very high | 62 Ų | 62 | 62.4 Ų | 62.4 | 33% | 0.325 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 118.6 | 168.9 | -96.2 | 162.3 | 0 | 0 | 0 | 108 | W97 Y98 V101 I167 V169 | W97-L183 HydrophobicContact CH2-CD1 3.38Å; W97-L183 HydrophobicContact CZ3-CD1 3.3Å; W97-L183 HydrophobicContact CZ3-CG 4.48Å; Y98-L183 HydrophobicContact CD1-CG 4.3Å; Y98-L183 HydrophobicContact CE1-CB 4.2Å; Y98-L183 HydrophobicContact CE1-CD1 4.08Å; Y98-L183 HydrophobicContact CE1-CG 3.69Å; V101-L183 HydrophobicContact CG1-CD1 4.15Å; V101-L183 HydrophobicContact CG1-CD2 4.22Å; V101-L183 HydrophobicContact CG2-CD1 4.29Å; I167-L183 HydrophobicContact CB-CD2 4.01Å; I167-L183 HydrophobicContact CD1-CD2 3.95Å; I167-L183 HydrophobicContact CG1-CD2 4.34Å; V169-L183 HydrophobicContact CG2-CD2 4.28Å |
| 184 | E | 91.3 | Very high | 91.9 | Very high | 57 Ų | 57 | 58.3 Ų | 58.3 | 27% | 0.266 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 141.8 | -179.8 | -77.5 | 174.4 | -151.4 | 0 | 0 | 110.7 | K168 V170 Y172 S182 | K168-E184 HydrophobicContact CD-CB 4.42Å; K168-E184 VanDerWaalsContact CE-CB 3.47Å; K168-E184 WeakPolarHBondContact CE-OE2 3.4Å; K168-E184 HydrophobicContact CG-CB 3.97Å; K168-E184 WeakPolarHBondContact CG-O 3.04Å; K168-E184 PolarHBondContact N-O 2.91Å; K168-E184 IonicContact NZ-OE2 3.81Å; K168-E184 PolarHBondContact NZ-OE2 3.19Å; K168-E184 PolarHBondContact O-N 2.83Å; V170-E184 HydrophobicContact CG2-CB 4.34Å; V170-E184 HydrophobicContact CG2-CG 4.29Å; Y172-E184 PolarHBondContact OH-OE1 3.22Å; S182-E184 PolarHBondContact OG-OE1 2.96Å; S182-E184 VanDerWaalsContact OG-OE1 3.1Å |
| 185 | A | 92.3 | Very high | 91.7 | Very high | 48 Ų | 48 | 59.1 Ų | 59.1 | 40% | 0.397 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 136.5 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | L189 | A185-L189 HydrophobicContact CB-CB 4.23Å; A185-L189 HydrophobicContact CB-CD2 3.93Å; A185-L189 HydrophobicContact CB-CG 4.25Å |
| 186 | T | 94.9 | Very high | 91.5 | Very high | 18 Ų | 18 | 63.2 Ų | 63.2 | 11% | 0.11 | 35% | 0.347 | C | S | . | . | trans | -80.8 | 167 | 172 | 66.1 | 0 | 0 | 0 | 0 | 110.9 | F165 E166 K168 L188 L189 S190 | F165-T186 VanDerWaalsContact O-CB 3.27Å; F165-T186 WeakPolarHBondContact O-CB 3.37Å; F165-T186 WeakPolarHBondContact O-CG2 3.41Å; F165-T186 PolarHBondContact O-OG1 3.27Å; E166-T186 PolarHBondContact O-N 2.78Å; E166-T186 PolarHBondContact O-OG1 2.83Å; K168-T186 HydrophobicContact CB-CG2 4.04Å; K168-T186 HydrophobicContact CD-CG2 4.5Å; K168-T186 HydrophobicContact CG-CG2 4.05Å; T186-L188 PolarHBondContact O-N 2.55Å; T186-L188 PolarHBondContact OG1-N 3.35Å; T186-L189 PolarHBondContact O-N 3.22Å; T186-S190 PolarHBondContact O-N 3.37Å; T186-S190 PolarHBondContact O-OG 3Å | ||
| 187 | P | 94.3 | Very high | 91.6 | Very high | 114 Ų | 114 | 57.3 Ų | 57.3 | 74% | 0.74 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | -24.7 | 173.2 | -26.7 | 35.7 | 0 | 0 | 0 | 114 | N191 | P187-N191 WeakPolarHBondContact O-CB 3.39Å; P187-N191 PolarHBondContact O-N 3.42Å |
| 188 | L | 93.7 | Very high | 91.6 | Very high | 62 Ų | 62 | 57.3 Ų | 57.3 | 33% | 0.325 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -52.1 | 174.2 | -177 | 65.5 | 0 | 0 | 0 | 111.1 | F165 T186 S190 N191 Y194 | F165-L188 HydrophobicContact CB-CD2 3.89Å; T186-L188 PolarHBondContact O-N 2.55Å; T186-L188 PolarHBondContact OG1-N 3.35Å; L188-S190 VanDerWaalsContact C-N 3.34Å; L188-N191 WeakPolarHBondContact O-CB 3.36Å; L188-N191 PolarHBondContact O-N 3.41Å; L188-Y194 HydrophobicContact CD1-CD2 3.6Å; L188-Y194 HydrophobicContact CD1-CE2 3.84Å; L188-Y194 HydrophobicContact CD1-CG 4.01Å; L188-Y194 HydrophobicContact CD2-CE2 4.11Å; L188-Y194 HydrophobicContact CG-CD1 4.3Å; L188-Y194 HydrophobicContact CG-CD2 4.03Å; L188-Y194 HydrophobicContact CG-CE1 4.23Å; L188-Y194 HydrophobicContact CG-CE2 3.94Å; L188-Y194 HydrophobicContact CG-CG 4.2Å; L188-Y194 WeakPolarHBondContact O-CB 3.37Å; L188-Y194 WeakPolarHBondContact O-CD1 3.15Å |
| 189 | L | 91.5 | Very high | 91.2 | Very high | 40 Ų | 40 | 58.2 Ų | 58.2 | 21% | 0.209 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -31.2 | 179.8 | -177.4 | 61.4 | 0 | 0 | 0 | 112 | E166 A185 T186 N191 R195 | E166-L189 HydrophobicContact CB-CB 4.15Å; E166-L189 HydrophobicContact CB-CD2 4.28Å; E166-L189 HydrophobicContact CG-CB 4.29Å; E166-L189 HydrophobicContact CG-CD1 4.3Å; E166-L189 WeakPolarHBondContact O-CB 3.32Å; A185-L189 HydrophobicContact CB-CB 4.23Å; A185-L189 HydrophobicContact CB-CD2 3.93Å; A185-L189 HydrophobicContact CB-CG 4.25Å; T186-L189 PolarHBondContact O-N 3.22Å; L189-N191 PolarHBondContact O-N 3.19Å; L189-R195 HydrophobicContact CD1-CG 4.26Å; L189-R195 WeakPolarHBondContact O-CD 3.38Å; L189-R195 VanDerWaalsContact O-CG 3.24Å; L189-R195 WeakPolarHBondContact O-CG 3.3Å |
| 190 | S | 90.2 | Very high | 90.9 | Very high | 74 Ų | 74 | 59.4 Ų | 59.4 | 52% | 0.517 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -10.6 | 175.1 | -59.4 | 0 | 0 | 0 | 0 | 113.5 | T186 L188 D192 | T186-S190 PolarHBondContact O-N 3.37Å; T186-S190 PolarHBondContact O-OG 3Å; L188-S190 VanDerWaalsContact C-N 3.34Å; S190-D192 PolarHBondContact O-N 2.59Å |
| 191 | N | 92.5 | Very high | 90.6 | Very high | 77 Ų | 77 | 66.3 Ų | 66.3 | 41% | 0.412 | 36% | 0.356 | S | S | . | . | trans | -75.8 | 121.9 | 177.2 | -175.8 | -74.2 | 0 | 0 | 0 | 110.9 | P187 L188 L189 V193 Y194 R195 | P187-N191 WeakPolarHBondContact O-CB 3.39Å; P187-N191 PolarHBondContact O-N 3.42Å; L188-N191 WeakPolarHBondContact O-CB 3.36Å; L188-N191 PolarHBondContact O-N 3.41Å; L189-N191 PolarHBondContact O-N 3.19Å; N191-V193 VanDerWaalsContact C-N 3.32Å; N191-V193 PolarHBondContact O-N 3.37Å; N191-V193 WeakPolarHBondContact OD1-CA 3.19Å; N191-V193 VanDerWaalsContact OD1-CB 3.3Å; N191-V193 WeakPolarHBondContact OD1-CB 3.44Å; N191-V193 PolarHBondContact OD1-N 2.94Å; N191-Y194 PolarHBondContact O-N 2.86Å; N191-Y194 PolarHBondContact OD1-N 3.46Å; N191-R195 PolarHBondContact O-N 2.96Å | ||
| 192 | D | 89.5 | Confident | 90.6 | Very high | 113 Ų | 113 | 68.6 Ų | 68.6 | 60% | 0.604 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -63.7 | -35.2 | -177.2 | -69.3 | -40.7 | 0 | 0 | 0 | 113.3 | S190 R195 L196 | S190-D192 PolarHBondContact O-N 2.59Å; D192-R195 PolarHBondContact O-N 2.85Å; D192-R195 IonicContact OD1-NH1 3.54Å; D192-R195 PolarHBondContact OD1-NH1 3.35Å; D192-L196 VanDerWaalsContact O-CB 3.29Å; D192-L196 WeakPolarHBondContact O-CB 3.2Å; D192-L196 PolarHBondContact O-N 3.47Å |
| 193 | V | 92 | Very high | 90.5 | Very high | 99 Ų | 99 | 67.9 Ų | 67.9 | 60% | 0.6 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -67.3 | -43.4 | 177 | -177.8 | 0 | 0 | 0 | 0 | 110.2 | N191 L196 V197 | N191-V193 VanDerWaalsContact C-N 3.32Å; N191-V193 PolarHBondContact O-N 3.37Å; N191-V193 WeakPolarHBondContact OD1-CA 3.19Å; N191-V193 VanDerWaalsContact OD1-CB 3.3Å; N191-V193 WeakPolarHBondContact OD1-CB 3.44Å; N191-V193 PolarHBondContact OD1-N 2.94Å; V193-L196 PolarHBondContact O-N 3.03Å; V193-V197 HydrophobicContact CG1-CG2 4Å; V193-V197 VanDerWaalsContact O-CB 3.29Å; V193-V197 WeakPolarHBondContact O-CB 3.11Å; V193-V197 WeakPolarHBondContact O-CG2 3.31Å; V193-V197 PolarHBondContact O-N 3.39Å |
| 194 | Y | 92.9 | Very high | 90.2 | Very high | 30 Ų | 30 | 67 Ų | 67 | 12% | 0.118 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -60.8 | -48 | 175.5 | -179.5 | -93.3 | 0 | 0 | 0 | 111.3 | S162 E166 L188 N191 L196 Y198 T199 | S162-Y194 VanDerWaalsContact CB-OH 3.28Å; S162-Y194 WeakPolarHBondContact CB-OH 3.46Å; S162-Y194 PolarHBondContact OG-OH 2.98Å; E166-Y194 HydrophobicContact CG-CE1 3.97Å; E166-Y194 VanDerWaalsContact OE1-CE1 3.27Å; E166-Y194 WeakPolarHBondContact OE1-CE1 3.48Å; E166-Y194 PolarHBondContact OE1-OH 3.21Å; L188-Y194 HydrophobicContact CD1-CD2 3.6Å; L188-Y194 HydrophobicContact CD1-CE2 3.84Å; L188-Y194 HydrophobicContact CD1-CG 4.01Å; L188-Y194 HydrophobicContact CD2-CE2 4.11Å; L188-Y194 HydrophobicContact CG-CD1 4.3Å; L188-Y194 HydrophobicContact CG-CD2 4.03Å; L188-Y194 HydrophobicContact CG-CE1 4.23Å; L188-Y194 HydrophobicContact CG-CE2 3.94Å; L188-Y194 HydrophobicContact CG-CG 4.2Å; L188-Y194 WeakPolarHBondContact O-CB 3.37Å; L188-Y194 WeakPolarHBondContact O-CD1 3.15Å; N191-Y194 PolarHBondContact O-N 2.86Å; N191-Y194 PolarHBondContact OD1-N 3.46Å; Y194-L196 PolarHBondContact O-N 3.02Å; Y194-Y198 HydrophobicContact CD2-CG 4.46Å; Y194-Y198 AromaticContact CE1-CD1 3.87Å; Y194-Y198 HydrophobicContact CE1-CD1 3.87Å; Y194-Y198 AromaticContact CE2-CD1 3.72Å; Y194-Y198 HydrophobicContact CE2-CD1 3.72Å; Y194-Y198 HydrophobicContact CE2-CE1 4.4Å; Y194-Y198 AromaticContact CE2-CG 3.87Å; Y194-Y198 HydrophobicContact CE2-CG 3.87Å; Y194-Y198 AromaticContact CZ-CD1 3.33Å; Y194-Y198 AromaticContact CZ-CE1 3.82Å; Y194-Y198 AromaticContact CZ-CG 3.99Å; Y194-Y198 WeakPolarHBondContact O-CA 3.19Å; Y194-Y198 WeakPolarHBondContact O-CB 3.25Å; Y194-Y198 PolarHBondContact O-N 3.43Å; Y194-Y198 WeakPolarHBondContact OH-CD1 3.27Å; Y194-Y198 WeakPolarHBondContact OH-CE1 3.42Å; Y194-T199 PolarHBondContact O-N 3.36Å |
| 195 | R | 86.9 | Confident | 90.2 | Very high | 116 Ų | 116 | 67.5 Ų | 67.5 | 44% | 0.438 | 36% | 0.362 | S | S | . | . | I | π-helix | trans | -59 | -47.3 | 176.8 | -87.2 | 174 | 57.6 | -128.7 | -1.6 | 112.4 | L189 N191 D192 T199 L200 | L189-R195 HydrophobicContact CD1-CG 4.26Å; L189-R195 WeakPolarHBondContact O-CD 3.38Å; L189-R195 VanDerWaalsContact O-CG 3.24Å; L189-R195 WeakPolarHBondContact O-CG 3.3Å; N191-R195 PolarHBondContact O-N 2.96Å; D192-R195 PolarHBondContact O-N 2.85Å; D192-R195 IonicContact OD1-NH1 3.54Å; D192-R195 PolarHBondContact OD1-NH1 3.35Å; R195-T199 VanDerWaalsContact O-CB 3.3Å; R195-T199 WeakPolarHBondContact O-CB 3.32Å; R195-T199 PolarHBondContact O-N 3.47Å; R195-L200 WeakPolarHBondContact O-CB 3.27Å; R195-L200 PolarHBondContact O-N 3.32Å |
| 196 | L | 87 | Confident | 90.2 | Very high | 95 Ų | 95 | 66 Ų | 66 | 50% | 0.497 | 35% | 0.348 | S | S | . | . | I | π-helix | trans | -69.4 | -50.5 | -177.7 | -175.6 | 65.5 | 0 | 0 | 0 | 111.5 | D192 V193 Y194 L200 W201 | D192-L196 VanDerWaalsContact O-CB 3.29Å; D192-L196 WeakPolarHBondContact O-CB 3.2Å; D192-L196 PolarHBondContact O-N 3.47Å; V193-L196 PolarHBondContact O-N 3.03Å; Y194-L196 PolarHBondContact O-N 3.02Å; L196-L200 HydrophobicContact CD1-CD2 4.19Å; L196-L200 WeakPolarHBondContact O-CB 3.31Å; L196-W201 PolarHBondContact O-N 3.27Å |
| 197 | V | 91.1 | Very high | 89.9 | Confident | 71 Ų | 71 | 66.4 Ų | 66.4 | 43% | 0.43 | 35% | 0.348 | S | S | . | . | I | π-helix | trans | -78.4 | -52.3 | -172.6 | 178.2 | 0 | 0 | 0 | 0 | 111.3 | V193 L202 | V193-V197 HydrophobicContact CG1-CG2 4Å; V193-V197 VanDerWaalsContact O-CB 3.29Å; V193-V197 WeakPolarHBondContact O-CB 3.11Å; V193-V197 WeakPolarHBondContact O-CG2 3.31Å; V193-V197 PolarHBondContact O-N 3.39Å; V197-L202 HydrophobicContact CG1-CD1 4.2Å; V197-L202 WeakPolarHBondContact O-CB 3.27Å; V197-L202 WeakPolarHBondContact O-CG 3.48Å; V197-L202 PolarHBondContact O-N 3.19Å |
| 198 | Y | 91.5 | Very high | 89.4 | Confident | 26 Ų | 26 | 61.9 Ų | 61.9 | 10% | 0.102 | 32% | 0.318 | C | S | . | . | I | π-helix | trans | -84.8 | -57.3 | -173.6 | 176.3 | -91.8 | 0 | 0 | 0 | 112 | F159 S162 Y194 L200 L202 S203 | F159-Y198 HydrophobicContact CE2-CE2 4.42Å; F159-Y198 HydrophobicContact CZ-CE2 4.35Å; F159-Y198 WeakPolarHBondContact O-CE2 3.29Å; F159-Y198 PolarHBondContact O-OH 3.46Å; S162-Y198 WeakPolarHBondContact OG-CE1 3.23Å; S162-Y198 PolarHBondContact OG-OH 3.15Å; Y194-Y198 HydrophobicContact CD2-CG 4.46Å; Y194-Y198 AromaticContact CE1-CD1 3.87Å; Y194-Y198 HydrophobicContact CE1-CD1 3.87Å; Y194-Y198 AromaticContact CE2-CD1 3.72Å; Y194-Y198 HydrophobicContact CE2-CD1 3.72Å; Y194-Y198 HydrophobicContact CE2-CE1 4.4Å; Y194-Y198 AromaticContact CE2-CG 3.87Å; Y194-Y198 HydrophobicContact CE2-CG 3.87Å; Y194-Y198 AromaticContact CZ-CD1 3.33Å; Y194-Y198 AromaticContact CZ-CE1 3.82Å; Y194-Y198 AromaticContact CZ-CG 3.99Å; Y194-Y198 WeakPolarHBondContact O-CA 3.19Å; Y194-Y198 WeakPolarHBondContact O-CB 3.25Å; Y194-Y198 PolarHBondContact O-N 3.43Å; Y194-Y198 WeakPolarHBondContact OH-CD1 3.27Å; Y194-Y198 WeakPolarHBondContact OH-CE1 3.42Å; Y198-L200 PolarHBondContact O-N 2.82Å; Y198-L202 HydrophobicContact CD2-CD1 4.25Å; Y198-S203 PolarHBondContact O-N 3.36Å; Y198-S203 PolarHBondContact O-OG 2.84Å |
| 199 | T | 84.6 | Confident | 89.1 | Confident | 51 Ų | 51 | 62.7 Ų | 62.7 | 31% | 0.313 | 32% | 0.323 | S | S | . | . | I | π-helix | trans | -68.5 | -36.2 | -173.6 | -47.7 | 0 | 0 | 0 | 0 | 111.9 | Y194 R195 S203 | Y194-T199 PolarHBondContact O-N 3.36Å; R195-T199 VanDerWaalsContact O-CB 3.3Å; R195-T199 WeakPolarHBondContact O-CB 3.32Å; R195-T199 PolarHBondContact O-N 3.47Å; T199-S203 VanDerWaalsContact O-CB 3.28Å; T199-S203 WeakPolarHBondContact O-CB 3.35Å; T199-S203 PolarHBondContact O-OG 3.05Å |
| 200 | L | 83.3 | Confident | 89.1 | Confident | 35 Ų | 35 | 64.3 Ų | 64.3 | 18% | 0.183 | 33% | 0.331 | C | S | . | . | I | π-helix | trans | -94 | -69.2 | -179.2 | -171.3 | 129.6 | 0 | 0 | 0 | 112.1 | R195 L196 Y198 Q204 T275 A279 | R195-L200 WeakPolarHBondContact O-CB 3.27Å; R195-L200 PolarHBondContact O-N 3.32Å; L196-L200 HydrophobicContact CD1-CD2 4.19Å; L196-L200 WeakPolarHBondContact O-CB 3.31Å; Y198-L200 PolarHBondContact O-N 2.82Å; L200-Q204 VanDerWaalsContact O-CB 3.3Å; L200-Q204 WeakPolarHBondContact O-CB 3.3Å; L200-Q204 VanDerWaalsContact O-CG 3.24Å; L200-Q204 WeakPolarHBondContact O-CG 3.3Å; L200-Q204 PolarHBondContact O-N 3.47Å; L200-Q204 VanDerWaalsContact O-N 3.15Å; L200-T275 HydrophobicContact CD1-CG2 3.36Å; L200-T275 HydrophobicContact CG-CG2 3.76Å; L200-A279 HydrophobicContact CD1-CB 4.12Å |
| 201 | W | 88.1 | Confident | 89.1 | Confident | 152 Ų | 152 | 61 Ų | 61 | 58% | 0.576 | 31% | 0.308 | S | S | * | . | I | π-helix | trans | -69.5 | -56.5 | -171.3 | -73.8 | 111.7 | 0 | 0 | 0 | 113.7 | L196 S203 Q204 L205 | L196-W201 PolarHBondContact O-N 3.27Å; W201-S203 PolarHBondContact O-N 2.87Å; W201-Q204 PolarHBondContact O-N 3.44Å; W201-L205 WeakPolarHBondContact O-CB 3.21Å; W201-L205 VanDerWaalsContact O-CG 3.23Å; W201-L205 WeakPolarHBondContact O-CG 3.35Å; W201-L205 PolarHBondContact O-N 2.99Å |
| 202 | L | 91.9 | Very high | 88.8 | Confident | 74 Ų | 74 | 59.2 Ų | 59.2 | 39% | 0.387 | 30% | 0.296 | S | S | . | . | I | π-helix | trans | -63.4 | -44.6 | -176.6 | -76 | 171.7 | 0 | 0 | 0 | 111.6 | F159 V197 Y198 Q204 L205 V206 | F159-L202 HydrophobicContact CE2-CB 4.5Å; F159-L202 HydrophobicContact CZ-CB 4.42Å; V197-L202 HydrophobicContact CG1-CD1 4.2Å; V197-L202 WeakPolarHBondContact O-CB 3.27Å; V197-L202 WeakPolarHBondContact O-CG 3.48Å; V197-L202 PolarHBondContact O-N 3.19Å; Y198-L202 HydrophobicContact CD2-CD1 4.25Å; L202-Q204 PolarHBondContact O-N 2.96Å; L202-L205 PolarHBondContact O-N 3.22Å; L202-V206 VanDerWaalsContact O-CB 3.25Å; L202-V206 WeakPolarHBondContact O-CB 3.42Å; L202-V206 VanDerWaalsContact O-CG2 3.29Å; L202-V206 WeakPolarHBondContact O-CG2 3.36Å; L202-V206 PolarHBondContact O-N 2.96Å |
| 203 | S | 89.2 | Confident | 88.8 | Confident | 11 Ų | 11 | 57.4 Ų | 57.4 | 8% | 0.077 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.5 | -43.5 | 179.1 | -61.1 | 0 | 0 | 0 | 0 | 111.6 | Y198 T199 W201 Q207 | Y198-S203 PolarHBondContact O-N 3.36Å; Y198-S203 PolarHBondContact O-OG 2.84Å; T199-S203 VanDerWaalsContact O-CB 3.28Å; T199-S203 WeakPolarHBondContact O-CB 3.35Å; T199-S203 PolarHBondContact O-OG 3.05Å; W201-S203 PolarHBondContact O-N 2.87Å; S203-Q207 VanDerWaalsContact O-CB 3.29Å; S203-Q207 WeakPolarHBondContact O-CB 3.48Å; S203-Q207 PolarHBondContact O-N 3.09Å |
| 204 | Q | 85.7 | Confident | 88.8 | Confident | 44 Ų | 44 | 54.2 Ų | 54.2 | 21% | 0.206 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -68.7 | -38.2 | 176.7 | -71.2 | -58.1 | -8.2 | 0 | 0 | 113.2 | L200 W201 L202 V208 L209 T275 | L200-Q204 VanDerWaalsContact O-CB 3.3Å; L200-Q204 WeakPolarHBondContact O-CB 3.3Å; L200-Q204 VanDerWaalsContact O-CG 3.24Å; L200-Q204 WeakPolarHBondContact O-CG 3.3Å; L200-Q204 PolarHBondContact O-N 3.47Å; L200-Q204 VanDerWaalsContact O-N 3.15Å; W201-Q204 PolarHBondContact O-N 3.44Å; L202-Q204 PolarHBondContact O-N 2.96Å; Q204-V208 WeakPolarHBondContact O-CA 3.28Å; Q204-V208 VanDerWaalsContact O-CB 3.24Å; Q204-V208 WeakPolarHBondContact O-CB 3.24Å; Q204-V208 PolarHBondContact O-N 2.9Å; Q204-V208 VanDerWaalsContact O-N 3.08Å; Q204-V208 VanDerWaalsContact OE1-CB 3.29Å; Q204-L209 PolarHBondContact O-N 2.93Å; Q204-T275 HydrophobicContact CG-CG2 4.48Å; Q204-T275 PolarHBondContact NE2-OG1 3.44Å |
| 205 | L | 90.4 | Very high | 88.6 | Confident | 68 Ų | 68 | 53.7 Ų | 53.7 | 36% | 0.356 | 27% | 0.266 | S | S | . | . | I | π-helix | trans | -63.6 | -48 | 175.8 | -71.2 | 172.9 | 0 | 0 | 0 | 111.3 | W201 L202 L209 I210 | W201-L205 WeakPolarHBondContact O-CB 3.21Å; W201-L205 VanDerWaalsContact O-CG 3.23Å; W201-L205 WeakPolarHBondContact O-CG 3.35Å; W201-L205 PolarHBondContact O-N 2.99Å; L202-L205 PolarHBondContact O-N 3.22Å; L205-L209 HydrophobicContact CD2-CB 4.34Å; L205-L209 HydrophobicContact CD2-CD2 3.55Å; L205-I210 WeakPolarHBondContact O-CB 3.39Å; L205-I210 VanDerWaalsContact O-CG1 3.31Å; L205-I210 WeakPolarHBondContact O-CG1 3.3Å; L205-I210 PolarHBondContact O-N 2.6Å |
| 206 | V | 93.1 | Very high | 88.6 | Confident | 17 Ų | 17 | 50.8 Ų | 50.8 | 10% | 0.103 | 26% | 0.259 | C | S | . | . | I | π-helix | trans | -76.3 | -39.8 | -172.1 | 168.6 | 0 | 0 | 0 | 0 | 112.7 | Y117 F155 F159 L202 P211 | Y117-V206 HydrophobicContact CE2-CG1 4.09Å; Y117-V206 VanDerWaalsContact CE2-O 3.25Å; Y117-V206 WeakPolarHBondContact CE2-O 3.25Å; Y117-V206 WeakPolarHBondContact OH-CG1 3.43Å; Y117-V206 PolarHBondContact OH-O 2.66Å; F155-V206 HydrophobicContact CE1-CG1 4.1Å; F155-V206 HydrophobicContact CZ-CG1 3.74Å; F159-V206 HydrophobicContact CD1-CG1 4.18Å; F159-V206 HydrophobicContact CD2-CG1 4.11Å; F159-V206 HydrophobicContact CD2-CG2 4.42Å; F159-V206 HydrophobicContact CE1-CB 4.25Å; F159-V206 HydrophobicContact CE1-CG1 3.95Å; F159-V206 HydrophobicContact CE2-CB 3.94Å; F159-V206 HydrophobicContact CE2-CG1 3.88Å; F159-V206 HydrophobicContact CE2-CG2 3.67Å; F159-V206 HydrophobicContact CG-CG1 4.26Å; F159-V206 HydrophobicContact CZ-CB 3.72Å; F159-V206 HydrophobicContact CZ-CG1 3.8Å; F159-V206 HydrophobicContact CZ-CG2 3.91Å; L202-V206 VanDerWaalsContact O-CB 3.25Å; L202-V206 WeakPolarHBondContact O-CB 3.42Å; L202-V206 VanDerWaalsContact O-CG2 3.29Å; L202-V206 WeakPolarHBondContact O-CG2 3.36Å; L202-V206 PolarHBondContact O-N 2.96Å; V206-P211 VanDerWaalsContact O-CD 3.29Å; V206-P211 WeakPolarHBondContact O-CD 3.42Å; V206-P211 VanDerWaalsContact O-CG 3.32Å; V206-P211 WeakPolarHBondContact O-CG 3.38Å |
| 207 | Q | 88.1 | Confident | 88.9 | Confident | 25 Ų | 25 | 51.2 Ų | 51.2 | 12% | 0.117 | 26% | 0.26 | C | S | . | . | I | π-helix | trans | -98.2 | -17.3 | -173.5 | -59 | -178.6 | 12.1 | 0 | 0 | 113.1 | T113 I116 F159 S203 | T113-Q207 PolarHBondContact OG1-NE2 3.24Å; I116-Q207 HydrophobicContact CD1-CB 4.27Å; F159-Q207 HydrophobicContact CE1-CG 4.44Å; S203-Q207 VanDerWaalsContact O-CB 3.29Å; S203-Q207 WeakPolarHBondContact O-CB 3.48Å; S203-Q207 PolarHBondContact O-N 3.09Å |
| 208 | V | 84.5 | Confident | 88.8 | Confident | 19 Ų | 19 | 50 Ų | 50 | 12% | 0.115 | 25% | 0.25 | C | C | . | . | I | π-helix | trans | -122.1 | -64.1 | -172.7 | 177.1 | 0 | 0 | 0 | 0 | 111.4 | Q204 P211 F212 F264 N268 | Q204-V208 WeakPolarHBondContact O-CA 3.28Å; Q204-V208 VanDerWaalsContact O-CB 3.24Å; Q204-V208 WeakPolarHBondContact O-CB 3.24Å; Q204-V208 PolarHBondContact O-N 2.9Å; Q204-V208 VanDerWaalsContact O-N 3.08Å; Q204-V208 VanDerWaalsContact OE1-CB 3.29Å; V208-P211 WeakPolarHBondContact O-CD 3.33Å; V208-F212 VanDerWaalsContact O-CB 3.28Å; V208-F212 WeakPolarHBondContact O-CB 3.36Å; V208-F212 PolarHBondContact O-N 3.45Å; V208-F212 VanDerWaalsContact O-N 3.09Å; V208-F264 HydrophobicContact CB-CE2 4.48Å; V208-F264 HydrophobicContact CB-CZ 4.3Å; V208-F264 HydrophobicContact CG1-CE1 4.32Å; V208-F264 HydrophobicContact CG1-CE2 3.87Å; V208-F264 HydrophobicContact CG1-CZ 3.32Å; V208-F264 VanDerWaalsContact O-CE2 3.26Å; V208-F264 WeakPolarHBondContact O-CE2 3.32Å; V208-F264 VanDerWaalsContact O-CZ 3.23Å; V208-F264 WeakPolarHBondContact O-CZ 3.39Å; V208-N268 HydrophobicContact CG1-CB 3.71Å; V208-N268 HydrophobicContact CG2-CB 4.41Å; V208-N268 WeakPolarHBondContact CG2-OD1 3.22Å |
| 209 | L | 87.4 | Confident | 88.6 | Confident | 79 Ų | 79 | 49.2 Ų | 49.2 | 41% | 0.414 | 25% | 0.247 | S | C | . | . | I | π-helix | trans | -67.9 | -53.1 | -171.9 | -174 | 64.6 | 0 | 0 | 0 | 113.3 | Q204 L205 F212 L213 | Q204-L209 PolarHBondContact O-N 2.93Å; L205-L209 HydrophobicContact CD2-CB 4.34Å; L205-L209 HydrophobicContact CD2-CD2 3.55Å; L209-F212 PolarHBondContact O-N 3.26Å; L209-L213 HydrophobicContact CD1-CD1 3.92Å; L209-L213 HydrophobicContact CD1-CG 4.1Å; L209-L213 HydrophobicContact CG-CD1 3.91Å; L209-L213 HydrophobicContact CG-CG 4.41Å; L209-L213 WeakPolarHBondContact O-CG 3.05Å; L209-L213 PolarHBondContact O-N 2.86Å |
| 210 | I | 91.7 | Very high | 88.9 | Confident | 75 Ų | 75 | 49.1 Ų | 49.1 | 39% | 0.385 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -60.3 | -48.7 | -178.4 | -70.6 | 167.8 | 0 | 0 | 0 | 111.1 | M120 L205 F212 L213 T214 | M120-I210 HydrophobicContact CE-CG2 3.95Å; L205-I210 WeakPolarHBondContact O-CB 3.39Å; L205-I210 VanDerWaalsContact O-CG1 3.31Å; L205-I210 WeakPolarHBondContact O-CG1 3.3Å; L205-I210 PolarHBondContact O-N 2.6Å; I210-F212 PolarHBondContact O-N 3.37Å; I210-L213 PolarHBondContact O-N 3.25Å; I210-T214 VanDerWaalsContact O-CB 3.3Å; I210-T214 WeakPolarHBondContact O-CB 3.39Å; I210-T214 PolarHBondContact O-N 3.48Å; I210-T214 PolarHBondContact O-OG1 2.94Å |
| 211 | P | 89.5 | Confident | 89.3 | Confident | 4 Ų | 4 | 48.9 Ų | 48.9 | 3% | 0.026 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -59.4 | -44.3 | 177 | -26.3 | 36.2 | 0 | 0 | 0 | 113 | I116 Y117 M120 V206 V208 T214 L215 | I116-P211 HydrophobicContact CG2-CB 3.42Å; I116-P211 VanDerWaalsContact CG2-CB 3.42Å; I116-P211 HydrophobicContact CG2-CG 3.29Å; Y117-P211 HydrophobicContact CE2-CG 4.37Å; M120-P211 HydrophobicContact CG-CB 4.17Å; M120-P211 VanDerWaalsContact SD-CA 3.55Å; M120-P211 HydrophobicContact SD-CB 3.65Å; M120-P211 HydrophobicContact SD-CG 3.74Å; V206-P211 VanDerWaalsContact O-CD 3.29Å; V206-P211 WeakPolarHBondContact O-CD 3.42Å; V206-P211 VanDerWaalsContact O-CG 3.32Å; V206-P211 WeakPolarHBondContact O-CG 3.38Å; V208-P211 WeakPolarHBondContact O-CD 3.33Å; P211-T214 PolarHBondContact O-N 3.11Å; P211-L215 WeakPolarHBondContact O-CB 3.14Å; P211-L215 WeakPolarHBondContact O-CG 3.41Å; P211-L215 PolarHBondContact O-N 3.18Å |
| 212 | F | 86.7 | Confident | 89.3 | Confident | 39 Ų | 39 | 42.2 Ų | 42.2 | 17% | 0.171 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.2 | -51.3 | 178.4 | 173.7 | -112.9 | 0 | 0 | 0 | 113.4 | V208 L209 I210 T214 L215 L216 F264 | V208-F212 VanDerWaalsContact O-CB 3.28Å; V208-F212 WeakPolarHBondContact O-CB 3.36Å; V208-F212 PolarHBondContact O-N 3.45Å; V208-F212 VanDerWaalsContact O-N 3.09Å; L209-F212 PolarHBondContact O-N 3.26Å; I210-F212 PolarHBondContact O-N 3.37Å; F212-T214 PolarHBondContact O-N 3.43Å; F212-L215 PolarHBondContact O-N 3.46Å; F212-L216 HydrophobicContact CE1-CD2 4.04Å; F212-L216 HydrophobicContact CZ-CD2 3.92Å; F212-L216 WeakPolarHBondContact O-CB 3.42Å; F212-L216 PolarHBondContact O-N 2.91Å; F212-F264 HydrophobicContact CB-CD1 3.91Å; F212-F264 HydrophobicContact CB-CD2 3.9Å; F212-F264 HydrophobicContact CB-CE1 3.47Å; F212-F264 VanDerWaalsContact CB-CE1 3.47Å; F212-F264 HydrophobicContact CB-CE2 3.5Å; F212-F264 HydrophobicContact CB-CG 4.09Å; F212-F264 HydrophobicContact CB-CZ 3.23Å; F212-F264 HydrophobicContact CD1-CD1 4.39Å; F212-F264 AromaticContact CD1-CE1 3.97Å; F212-F264 HydrophobicContact CD1-CE1 3.97Å; F212-F264 HydrophobicContact CD1-CZ 4.49Å; F212-F264 HydrophobicContact CD2-CB 3.97Å; F212-F264 AromaticContact CD2-CD1 3.02Å; F212-F264 HydrophobicContact CD2-CD1 3.02Å; F212-F264 HydrophobicContact CD2-CD2 4.04Å; F212-F264 AromaticContact CD2-CE1 3.4Å; F212-F264 HydrophobicContact CD2-CE1 3.4Å; F212-F264 HydrophobicContact CD2-CE2 4.36Å; F212-F264 AromaticContact CD2-CG 3.38Å; F212-F264 HydrophobicContact CD2-CG 3.38Å; F212-F264 HydrophobicContact CD2-CZ 4.05Å; F212-F264 HydrophobicContact CE2-CB 4.39Å; F212-F264 AromaticContact CE2-CD1 3.5Å; F212-F264 HydrophobicContact CE2-CD1 3.5Å; F212-F264 VanDerWaalsContact CE2-CD1 3.5Å; F212-F264 HydrophobicContact CE2-CE1 4.04Å; F212-F264 HydrophobicContact CE2-CG 4.09Å; F212-F264 AromaticContact CG-CD1 3.53Å; F212-F264 HydrophobicContact CG-CD1 3.53Å; F212-F264 HydrophobicContact CG-CD2 4.36Å; F212-F264 AromaticContact CG-CE1 3.32Å; F212-F264 HydrophobicContact CG-CE1 3.32Å; F212-F264 HydrophobicContact CG-CE2 4.23Å; F212-F264 HydrophobicContact CG-CG 4.03Å; F212-F264 AromaticContact CG-CZ 3.7Å; F212-F264 HydrophobicContact CG-CZ 3.7Å; F212-F264 HydrophobicContact CZ-CD1 4.35Å |
| 213 | L | 90 | Very high | 89.1 | Confident | 75 Ų | 75 | 38.9 Ų | 38.9 | 39% | 0.393 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -60.6 | -41.6 | -179.6 | -67.8 | 177.1 | 0 | 0 | 0 | 110.3 | L209 I210 L216 I217 | L209-L213 HydrophobicContact CD1-CD1 3.92Å; L209-L213 HydrophobicContact CD1-CG 4.1Å; L209-L213 HydrophobicContact CG-CD1 3.91Å; L209-L213 HydrophobicContact CG-CG 4.41Å; L209-L213 WeakPolarHBondContact O-CG 3.05Å; L209-L213 PolarHBondContact O-N 2.86Å; I210-L213 PolarHBondContact O-N 3.25Å; L213-L216 PolarHBondContact O-N 3.1Å; L213-I217 VanDerWaalsContact O-CB 3.25Å; L213-I217 WeakPolarHBondContact O-CB 3.3Å; L213-I217 WeakPolarHBondContact O-CD1 3.36Å; L213-I217 WeakPolarHBondContact O-CG1 3.44Å; L213-I217 PolarHBondContact O-N 3.24Å |
| 214 | T | 90.4 | Very high | 89.3 | Confident | 32 Ų | 32 | 42 Ų | 42 | 20% | 0.196 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.8 | -50.8 | 177.5 | -58.3 | 0 | 0 | 0 | 0 | 111.5 | M120 I210 P211 F212 F218 | M120-T214 HydrophobicContact CB-CG2 4.4Å; M120-T214 HydrophobicContact CE-CG2 3.81Å; M120-T214 WeakPolarHBondContact CE-OG1 3.34Å; M120-T214 HydrophobicContact CG-CG2 4.38Å; I210-T214 VanDerWaalsContact O-CB 3.3Å; I210-T214 WeakPolarHBondContact O-CB 3.39Å; I210-T214 PolarHBondContact O-N 3.48Å; I210-T214 PolarHBondContact O-OG1 2.94Å; P211-T214 PolarHBondContact O-N 3.11Å; F212-T214 PolarHBondContact O-N 3.43Å; T214-F218 HydrophobicContact CG2-CD2 3.55Å; T214-F218 HydrophobicContact CG2-CE2 3.38Å; T214-F218 HydrophobicContact CG2-CZ 4.32Å; T214-F218 WeakPolarHBondContact O-CB 3.19Å; T214-F218 WeakPolarHBondContact O-CD2 3.5Å; T214-F218 WeakPolarHBondContact O-CG 3.41Å; T214-F218 PolarHBondContact O-N 2.91Å |
| 215 | L | 89 | Confident | 89.5 | Confident | 19 Ų | 19 | 40.5 Ų | 40.5 | 10% | 0.099 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.8 | -42.4 | 179.9 | -69.4 | 176.1 | 0 | 0 | 0 | 111.5 | T119 M120 T123 P211 F212 N219 V260 | T119-L215 HydrophobicContact CG2-CD1 4.42Å; T119-L215 HydrophobicContact CG2-CD2 4.14Å; M120-L215 HydrophobicContact CG-CD2 4.44Å; M120-L215 HydrophobicContact CG-CG 4.38Å; T123-L215 HydrophobicContact CG2-CD2 4.16Å; T123-L215 WeakPolarHBondContact OG1-CD2 3.35Å; P211-L215 WeakPolarHBondContact O-CB 3.14Å; P211-L215 WeakPolarHBondContact O-CG 3.41Å; P211-L215 PolarHBondContact O-N 3.18Å; F212-L215 PolarHBondContact O-N 3.46Å; L215-N219 WeakPolarHBondContact O-CB 3.5Å; L215-N219 PolarHBondContact O-N 3.32Å; L215-N219 PolarHBondContact O-ND2 3.01Å; L215-V260 HydrophobicContact CB-CG1 3.86Å; L215-V260 HydrophobicContact CD1-CG1 4.05Å |
| 216 | L | 87.6 | Confident | 89.3 | Confident | 55 Ų | 55 | 39 Ų | 39 | 29% | 0.288 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -62.3 | -51.8 | 177.9 | 177.5 | 63.7 | 0 | 0 | 0 | 110.8 | F212 L213 T220 L257 V261 | F212-L216 HydrophobicContact CE1-CD2 4.04Å; F212-L216 HydrophobicContact CZ-CD2 3.92Å; F212-L216 WeakPolarHBondContact O-CB 3.42Å; F212-L216 PolarHBondContact O-N 2.91Å; L213-L216 PolarHBondContact O-N 3.1Å; L216-T220 WeakPolarHBondContact O-CB 3.3Å; L216-T220 PolarHBondContact O-N 3.32Å; L216-T220 PolarHBondContact O-OG1 3Å; L216-L257 HydrophobicContact CD1-CD1 4.23Å; L216-V261 HydrophobicContact CD1-CG2 3.74Å |
| 217 | I | 92 | Very high | 89.1 | Confident | 104 Ų | 104 | 43.9 Ų | 43.9 | 53% | 0.533 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -62.5 | -49.8 | -177.7 | -68.9 | 166.1 | 0 | 0 | 0 | 110.3 | L213 T220 A221 | L213-I217 VanDerWaalsContact O-CB 3.25Å; L213-I217 WeakPolarHBondContact O-CB 3.3Å; L213-I217 WeakPolarHBondContact O-CD1 3.36Å; L213-I217 WeakPolarHBondContact O-CG1 3.44Å; L213-I217 PolarHBondContact O-N 3.24Å; I217-T220 PolarHBondContact O-N 3.33Å; I217-A221 WeakPolarHBondContact O-CB 3.16Å; I217-A221 PolarHBondContact O-N 3.33Å |
| 218 | F | 89.6 | Confident | 89.2 | Confident | 46 Ų | 46 | 50.2 Ų | 50.2 | 20% | 0.202 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -71.8 | -43.9 | -176.5 | -66.8 | -24.5 | 0 | 0 | 0 | 113 | T123 L124 Y127 T214 T220 A221 I222 | T123-F218 HydrophobicContact CG2-CB 3.59Å; T123-F218 HydrophobicContact CG2-CD2 4.5Å; L124-F218 HydrophobicContact CB-CD2 4.26Å; L124-F218 HydrophobicContact CB-CE2 4.03Å; L124-F218 HydrophobicContact CD1-CD2 4.32Å; L124-F218 HydrophobicContact CD1-CE2 3.62Å; L124-F218 HydrophobicContact CD1-CZ 3.75Å; L124-F218 HydrophobicContact CG-CE2 4.33Å; Y127-F218 HydrophobicContact CD1-CD1 4.27Å; Y127-F218 HydrophobicContact CD1-CE1 4.39Å; Y127-F218 HydrophobicContact CD2-CD1 4.17Å; Y127-F218 HydrophobicContact CE1-CE1 4.49Å; Y127-F218 HydrophobicContact CE2-CD1 4.48Å; Y127-F218 HydrophobicContact CG-CB 4.49Å; Y127-F218 HydrophobicContact CG-CD1 4.05Å; Y127-F218 HydrophobicContact CG-CG 4.33Å; T214-F218 HydrophobicContact CG2-CD2 3.55Å; T214-F218 HydrophobicContact CG2-CE2 3.38Å; T214-F218 HydrophobicContact CG2-CZ 4.32Å; T214-F218 WeakPolarHBondContact O-CB 3.19Å; T214-F218 WeakPolarHBondContact O-CD2 3.5Å; T214-F218 WeakPolarHBondContact O-CG 3.41Å; T214-F218 PolarHBondContact O-N 2.91Å; F218-T220 VanDerWaalsContact C-N 3.29Å; F218-T220 PolarHBondContact O-N 3.44Å; F218-A221 PolarHBondContact O-N 3Å; F218-I222 VanDerWaalsContact O-CG1 3.22Å; F218-I222 WeakPolarHBondContact O-CG1 3.07Å; F218-I222 PolarHBondContact O-N 3.33Å |
| 219 | N | 87.9 | Confident | 89.3 | Confident | 9 Ų | 9 | 52.7 Ų | 52.7 | 5% | 0.048 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.2 | -35.6 | 175.9 | -73.5 | -63.8 | 0 | 0 | 0 | 111.5 | L215 I222 A223 L257 | L215-N219 WeakPolarHBondContact O-CB 3.5Å; L215-N219 PolarHBondContact O-N 3.32Å; L215-N219 PolarHBondContact O-ND2 3.01Å; N219-I222 PolarHBondContact O-N 2.87Å; N219-A223 WeakPolarHBondContact O-CB 3.38Å; N219-A223 PolarHBondContact O-N 3.22Å; N219-L257 HydrophobicContact CB-CB 4.14Å; N219-L257 HydrophobicContact CB-CD1 3.65Å; N219-L257 HydrophobicContact CB-CG 4.46Å |
| 220 | T | 89.9 | Confident | 89.2 | Confident | 50 Ų | 50 | 50.8 Ų | 50.8 | 31% | 0.307 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -63.5 | -46.2 | 172.9 | -60.6 | 0 | 0 | 0 | 0 | 111.1 | L216 I217 F218 I222 A223 I224 | L216-T220 WeakPolarHBondContact O-CB 3.3Å; L216-T220 PolarHBondContact O-N 3.32Å; L216-T220 PolarHBondContact O-OG1 3Å; I217-T220 PolarHBondContact O-N 3.33Å; F218-T220 VanDerWaalsContact C-N 3.29Å; F218-T220 PolarHBondContact O-N 3.44Å; T220-I222 PolarHBondContact O-N 2.91Å; T220-A223 PolarHBondContact O-N 3Å; T220-I224 HydrophobicContact CG2-CD1 3.76Å; T220-I224 HydrophobicContact CG2-CG1 4.4Å; T220-I224 WeakPolarHBondContact O-CB 3.4Å; T220-I224 VanDerWaalsContact O-CG1 3.29Å; T220-I224 WeakPolarHBondContact O-CG1 3.44Å; T220-I224 PolarHBondContact O-N 3.4Å |
| 221 | A | 92.5 | Very high | 89 | Confident | 30 Ų | 30 | 51.9 Ų | 51.9 | 25% | 0.248 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64 | -39.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y127 I217 F218 S225 | Y127-A221 HydrophobicContact CD2-CB 3.88Å; Y127-A221 HydrophobicContact CE2-CB 3.62Å; I217-A221 WeakPolarHBondContact O-CB 3.16Å; I217-A221 PolarHBondContact O-N 3.33Å; F218-A221 PolarHBondContact O-N 3Å; A221-S225 VanDerWaalsContact O-CB 3.26Å; A221-S225 WeakPolarHBondContact O-CB 3.26Å; A221-S225 PolarHBondContact O-N 2.86Å |
| 222 | I | 88.2 | Confident | 88.9 | Confident | 11 Ų | 11 | 59.6 Ų | 59.6 | 6% | 0.056 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.4 | -51.8 | 173.2 | -68.8 | 163.6 | 0 | 0 | 0 | 109.9 | T123 R126 Y127 V130 F218 N219 T220 I224 S225 M226 A253 | T123-I222 HydrophobicContact CG2-CD1 4.27Å; R126-I222 HydrophobicContact CB-CD1 3.96Å; Y127-I222 HydrophobicContact CD2-CG1 4.44Å; V130-I222 HydrophobicContact CG1-CG2 4.36Å; V130-I222 HydrophobicContact CG2-CG2 4.46Å; F218-I222 VanDerWaalsContact O-CG1 3.22Å; F218-I222 WeakPolarHBondContact O-CG1 3.07Å; F218-I222 PolarHBondContact O-N 3.33Å; N219-I222 PolarHBondContact O-N 2.87Å; T220-I222 PolarHBondContact O-N 2.91Å; I222-I224 VanDerWaalsContact C-N 3.34Å; I222-I224 PolarHBondContact O-N 3.01Å; I222-S225 PolarHBondContact O-N 3.05Å; I222-M226 HydrophobicContact CG2-CE 4.5Å; I222-M226 HydrophobicContact CG2-SD 4.1Å; I222-M226 PolarHBondContact O-N 2.95Å; I222-A253 HydrophobicContact CG2-CB 4.01Å |
| 223 | A | 88.2 | Confident | 88.7 | Confident | 5 Ų | 5 | 59.9 Ų | 59.9 | 4% | 0.041 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.8 | -43.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | N219 T220 R227 L257 | N219-A223 WeakPolarHBondContact O-CB 3.38Å; N219-A223 PolarHBondContact O-N 3.22Å; T220-A223 PolarHBondContact O-N 3Å; A223-R227 WeakPolarHBondContact O-CB 3.3Å; A223-R227 VanDerWaalsContact O-CG 3.28Å; A223-R227 WeakPolarHBondContact O-CG 3.07Å; A223-R227 PolarHBondContact O-N 3.39Å; A223-L257 HydrophobicContact CB-CD2 4.39Å |
| 224 | I | 92 | Very high | 88.4 | Confident | 75 Ų | 75 | 63.1 Ų | 63.1 | 39% | 0.385 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -64.6 | -45.1 | 176.3 | -68.5 | 170.8 | 0 | 0 | 0 | 111 | T220 I222 R227 R228 | T220-I224 HydrophobicContact CG2-CD1 3.76Å; T220-I224 HydrophobicContact CG2-CG1 4.4Å; T220-I224 WeakPolarHBondContact O-CB 3.4Å; T220-I224 VanDerWaalsContact O-CG1 3.29Å; T220-I224 WeakPolarHBondContact O-CG1 3.44Å; T220-I224 PolarHBondContact O-N 3.4Å; I222-I224 VanDerWaalsContact C-N 3.34Å; I222-I224 PolarHBondContact O-N 3.01Å; I224-R227 PolarHBondContact O-N 2.84Å; I224-R228 HydrophobicContact CG2-CG 4.4Å; I224-R228 WeakPolarHBondContact O-CB 3.34Å; I224-R228 VanDerWaalsContact O-CG 3.28Å; I224-R228 WeakPolarHBondContact O-CG 3.48Å; I224-R228 PolarHBondContact O-N 3.31Å |
| 225 | S | 90 | Very high | 88 | Confident | 13 Ų | 13 | 71.5 Ų | 71.5 | 9% | 0.091 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64 | -45.1 | -179.5 | 178 | 0 | 0 | 0 | 0 | 111.8 | A221 I222 R228 H229 | A221-S225 VanDerWaalsContact O-CB 3.26Å; A221-S225 WeakPolarHBondContact O-CB 3.26Å; A221-S225 PolarHBondContact O-N 2.86Å; I222-S225 PolarHBondContact O-N 3.05Å; S225-R228 PolarHBondContact O-N 2.97Å; S225-H229 PolarHBondContact O-N 3.47Å |
| 226 | M | 87.3 | Confident | 87.5 | Confident | 36 Ų | 36 | 78.3 Ų | 78.3 | 18% | 0.177 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -60.5 | -46.2 | 175.1 | -78.3 | -177.2 | 159.9 | 0 | 0 | 111.9 | V130 I222 R228 H229 M230 Q249 A253 | V130-M226 HydrophobicContact CG1-CE 4.48Å; V130-M226 HydrophobicContact CG1-CG 3.83Å; V130-M226 HydrophobicContact CG2-CE 3.97Å; I222-M226 HydrophobicContact CG2-CE 4.5Å; I222-M226 HydrophobicContact CG2-SD 4.1Å; I222-M226 PolarHBondContact O-N 2.95Å; M226-R228 VanDerWaalsContact C-N 3.31Å; M226-R228 PolarHBondContact O-N 2.92Å; M226-H229 PolarHBondContact O-N 3.41Å; M226-M230 WeakPolarHBondContact O-CB 3.3Å; M226-M230 PolarHBondContact O-N 2.91Å; M226-Q249 HydrophobicContact CE-CB 4.09Å; M226-Q249 HydrophobicContact SD-CB 4.32Å; M226-A253 HydrophobicContact SD-CB 3.4Å; M226-A253 WeakPolarHBondContact SD-CB 3.48Å |
| 227 | R | 88.8 | Confident | 86.8 | Confident | 120 Ų | 120 | 82 Ų | 82 | 45% | 0.453 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -58.9 | -42.9 | 175.4 | -75 | 179.6 | -173.3 | -166.9 | 3.9 | 111.9 | A223 I224 M230 I231 S250 T254 | A223-R227 WeakPolarHBondContact O-CB 3.3Å; A223-R227 VanDerWaalsContact O-CG 3.28Å; A223-R227 WeakPolarHBondContact O-CG 3.07Å; A223-R227 PolarHBondContact O-N 3.39Å; I224-R227 PolarHBondContact O-N 2.84Å; R227-M230 PolarHBondContact O-N 3.24Å; R227-I231 WeakPolarHBondContact O-CD1 3.24Å; R227-I231 VanDerWaalsContact O-CG1 3.25Å; R227-I231 WeakPolarHBondContact O-CG1 3.11Å; R227-I231 PolarHBondContact O-N 3.42Å; R227-S250 VanDerWaalsContact CG-OG 3.23Å; R227-S250 WeakPolarHBondContact CG-OG 3.48Å; R227-T254 VanDerWaalsContact NH2-CG2 3.31Å; R227-T254 PolarHBondContact NH2-OG1 3.05Å; R227-T254 VanDerWaalsContact NH2-OG1 3.07Å |
| 228 | R | 90.3 | Very high | 85.6 | Confident | 159 Ų | 159 | 82 Ų | 82 | 60% | 0.6 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -64.7 | -42.7 | 177.4 | -74.1 | 174.8 | -178.2 | -176.3 | 2.6 | 112 | I224 S225 M226 I231 R232 | I224-R228 HydrophobicContact CG2-CG 4.4Å; I224-R228 WeakPolarHBondContact O-CB 3.34Å; I224-R228 VanDerWaalsContact O-CG 3.28Å; I224-R228 WeakPolarHBondContact O-CG 3.48Å; I224-R228 PolarHBondContact O-N 3.31Å; S225-R228 PolarHBondContact O-N 2.97Å; M226-R228 VanDerWaalsContact C-N 3.31Å; M226-R228 PolarHBondContact O-N 2.92Å; R228-I231 PolarHBondContact O-N 2.99Å; R228-R232 WeakPolarHBondContact O-CB 3.35Å; R228-R232 WeakPolarHBondContact O-CG 3.35Å; R228-R232 PolarHBondContact O-N 2.93Å |
| 229 | H | 85.8 | Confident | 85.2 | Confident | 70 Ų | 70 | 82.6 Ų | 82.6 | 32% | 0.324 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63.1 | -44.7 | 176.8 | -71.6 | 166.3 | 0 | 0 | 0 | 111.8 | S225 M226 R232 Q233 M246 | S225-H229 PolarHBondContact O-N 3.47Å; M226-H229 PolarHBondContact O-N 3.41Å; H229-R232 PolarHBondContact O-N 2.92Å; H229-Q233 WeakPolarHBondContact O-CB 3.29Å; H229-Q233 PolarHBondContact O-N 3.2Å; H229-M246 HydrophobicContact CB-CE 3.73Å |
| 230 | M | 85.5 | Confident | 84.9 | Confident | 40 Ų | 40 | 90.4 Ų | 90.4 | 20% | 0.197 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -59.2 | -48.9 | 175.3 | -179.5 | -176.5 | 58.9 | 0 | 0 | 111.8 | M226 R227 R232 Q233 K234 L243 M246 R247 | M226-M230 WeakPolarHBondContact O-CB 3.3Å; M226-M230 PolarHBondContact O-N 2.91Å; R227-M230 PolarHBondContact O-N 3.24Å; M230-R232 VanDerWaalsContact C-N 3.34Å; M230-R232 PolarHBondContact O-N 3.36Å; M230-Q233 PolarHBondContact O-N 2.93Å; M230-K234 WeakPolarHBondContact O-CB 2.86Å; M230-K234 PolarHBondContact O-N 2.85Å; M230-L243 HydrophobicContact CG-CD1 3.92Å; M230-M246 HydrophobicContact CB-CB 4.34Å; M230-M246 HydrophobicContact CG-CB 4.35Å; M230-R247 WeakPolarHBondContact SD-CA 3.46Å; M230-R247 HydrophobicContact SD-CB 3.77Å; M230-R247 HydrophobicContact SD-CG 4.05Å |
| 231 | I | 87.5 | Confident | 84.6 | Confident | 97 Ų | 97 | 92 Ų | 92 | 50% | 0.497 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -62.8 | -40.7 | 179.8 | -68.1 | 166 | 0 | 0 | 0 | 111.3 | R227 R228 R235 | R227-I231 WeakPolarHBondContact O-CD1 3.24Å; R227-I231 VanDerWaalsContact O-CG1 3.25Å; R227-I231 WeakPolarHBondContact O-CG1 3.11Å; R227-I231 PolarHBondContact O-N 3.42Å; R228-I231 PolarHBondContact O-N 2.99Å; I231-R235 PolarHBondContact O-N 3.02Å |
| 232 | R | 87.1 | Confident | 84.2 | Confident | 166 Ų | 166 | 97.7 Ų | 97.7 | 63% | 0.626 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -64.6 | -47.3 | 176.6 | -77 | 178.7 | 178.3 | 176.7 | -1.1 | 111.3 | R228 H229 M230 K234 R235 F236 | R228-R232 WeakPolarHBondContact O-CB 3.35Å; R228-R232 WeakPolarHBondContact O-CG 3.35Å; R228-R232 PolarHBondContact O-N 2.93Å; H229-R232 PolarHBondContact O-N 2.92Å; M230-R232 VanDerWaalsContact C-N 3.34Å; M230-R232 PolarHBondContact O-N 3.36Å; R232-K234 VanDerWaalsContact C-N 3.33Å; R232-K234 PolarHBondContact O-N 3.4Å; R232-R235 WeakPolarHBondContact O-CB 3.48Å; R232-R235 PolarHBondContact O-N 2.7Å; R232-R235 VanDerWaalsContact O-N 3.1Å; R232-F236 WeakPolarHBondContact O-CD2 3.32Å; R232-F236 PolarHBondContact O-N 3.35Å |
| 233 | Q | 83.5 | Confident | 83.9 | Confident | 46 Ų | 46 | 99 Ų | 99 | 22% | 0.215 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -66.5 | -37 | -177.3 | -156.6 | 179.6 | 73.5 | 0 | 0 | 111.9 | H229 M230 R235 F236 H237 R242 M246 | H229-Q233 WeakPolarHBondContact O-CB 3.29Å; H229-Q233 PolarHBondContact O-N 3.2Å; M230-Q233 PolarHBondContact O-N 2.93Å; Q233-R235 PolarHBondContact O-N 3.48Å; Q233-R235 VanDerWaalsContact O-N 3.16Å; Q233-F236 PolarHBondContact O-N 3.25Å; Q233-F236 VanDerWaalsContact O-N 3.15Å; Q233-H237 CarbonylContact O-C 3.58Å; Q233-H237 PolarHBondContact O-N 3.35Å; Q233-R242 VanDerWaalsContact OE1-CD 3.31Å; Q233-R242 VanDerWaalsContact OE1-CG 3.31Å; Q233-M246 HydrophobicContact CB-SD 3.92Å; Q233-M246 HydrophobicContact CG-SD 4.31Å; Q233-M246 PolarHBondContact OE1-SD 2.93Å |
| 234 | K | 83.7 | Confident | 83.7 | Confident | 142 Ų | 142 | 104.7 Ų | 104.7 | 62% | 0.617 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -54.7 | -32.3 | 171.9 | -172.4 | 175.9 | 180 | -179.5 | 0 | 113.3 | M230 R232 L243 | M230-K234 WeakPolarHBondContact O-CB 2.86Å; M230-K234 PolarHBondContact O-N 2.85Å; R232-K234 VanDerWaalsContact C-N 3.33Å; R232-K234 PolarHBondContact O-N 3.4Å; K234-L243 HydrophobicContact CB-CD1 3.88Å; K234-L243 HydrophobicContact CB-CD2 4.31Å; K234-L243 HydrophobicContact CD-CD2 4.28Å; K234-L243 HydrophobicContact CG-CD1 4.4Å; K234-L243 HydrophobicContact CG-CD2 3.96Å |
| 235 | R | 82 | Confident | 83.4 | Confident | 209 Ų | 209 | 106.2 Ų | 106.2 | 79% | 0.789 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -78.5 | -37.7 | 178.1 | -75.5 | -173.9 | 178.2 | -175.6 | -1.1 | 113.5 | I231 R232 Q233 | I231-R235 PolarHBondContact O-N 3.02Å; R232-R235 WeakPolarHBondContact O-CB 3.48Å; R232-R235 PolarHBondContact O-N 2.7Å; R232-R235 VanDerWaalsContact O-N 3.1Å; Q233-R235 PolarHBondContact O-N 3.48Å; Q233-R235 VanDerWaalsContact O-N 3.16Å |
| 236 | F | 78.9 | Confident | 83 | Confident | 162 Ų | 162 | 107.3 Ų | 107.3 | 71% | 0.711 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -95.5 | -41.6 | -171.1 | -74.1 | -78.1 | 0 | 0 | 0 | 113.2 | R232 Q233 | R232-F236 WeakPolarHBondContact O-CD2 3.32Å; R232-F236 PolarHBondContact O-N 3.35Å; Q233-F236 PolarHBondContact O-N 3.25Å; Q233-F236 VanDerWaalsContact O-N 3.15Å |
| 237 | H | 71.5 | Confident | 82.8 | Confident | 133 Ų | 133 | 114 Ų | 114 | 62% | 0.616 | 52% | 0.523 | S | S | * | . | trans | -138.1 | 92.7 | -173.5 | -74.4 | 20.1 | 0 | 0 | 0 | 109.7 | Q233 A239 | Q233-H237 CarbonylContact O-C 3.58Å; Q233-H237 PolarHBondContact O-N 3.35Å; H237-A239 PolarHBondContact O-N 2.85Å | ||
| 238 | P | 68.4 | Low | 82.6 | Confident | 103 Ų | 103 | 111.7 Ų | 111.7 | 67% | 0.669 | 52% | 0.517 | S | S | * | . | trans | -79.3 | 38.8 | -175.5 | 34.8 | -36.2 | 0 | 0 | 0 | 112.7 | E240 | P238-E240 PolarHBondContact O-N 3.46Š| ||
| 239 | A | 80.3 | Confident | 82.1 | Confident | 58 Ų | 58 | 107.9 Ų | 107.9 | 48% | 0.479 | 51% | 0.506 | S | S | . | . | trans | -67.6 | 108.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | H237 A241 R242 L243 | H237-A239 PolarHBondContact O-N 2.85Å; A239-A241 VanDerWaalsContact C-N 3.31Å; A239-A241 PolarHBondContact O-N 3.45Å; A239-R242 PolarHBondContact O-N 2.96Å; A239-L243 PolarHBondContact O-N 3.02Å; A239-L243 VanDerWaalsContact O-N 3.08Å | ||
| 240 | E | 81.6 | Confident | 81.6 | Confident | 173 Ų | 173 | 104.9 Ų | 104.9 | 81% | 0.808 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -55.4 | -43.7 | -170.1 | -65.1 | -175.5 | 157 | 0 | 0 | 112.7 | P238 R242 L243 H244 | P238-E240 PolarHBondContact O-N 3.46Å; E240-R242 PolarHBondContact O-N 2.84Å; E240-L243 PolarHBondContact O-N 3.28Å; E240-H244 WeakPolarHBondContact O-CB 3.44Å; E240-H244 PolarHBondContact O-N 3.33Å |
| 241 | A | 83.9 | Confident | 81.3 | Confident | 83 Ų | 83 | 109.4 Ų | 109.4 | 69% | 0.686 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -60.1 | -47.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | A239 L243 H244 E245 | A239-A241 VanDerWaalsContact C-N 3.31Å; A239-A241 PolarHBondContact O-N 3.45Å; A241-L243 PolarHBondContact O-N 2.97Å; A241-H244 WeakPolarHBondContact O-CB 3.44Å; A241-H244 PolarHBondContact O-N 3.42Å; A241-E245 PolarHBondContact O-N 2.84Å; A241-E245 VanDerWaalsContact O-N 3.09Å |
| 242 | R | 82.9 | Confident | 81 | Confident | 150 Ų | 150 | 106.6 Ų | 106.6 | 57% | 0.566 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -69.1 | -36.4 | 180 | -166.4 | -179.7 | -79.7 | -165 | -6 | 111.4 | Q233 A239 E240 H244 E245 M246 | Q233-R242 VanDerWaalsContact OE1-CD 3.31Å; Q233-R242 VanDerWaalsContact OE1-CG 3.31Å; A239-R242 PolarHBondContact O-N 2.96Å; E240-R242 PolarHBondContact O-N 2.84Å; R242-H244 VanDerWaalsContact C-N 3.34Å; R242-E245 PolarHBondContact O-N 2.61Å; R242-M246 WeakPolarHBondContact O-CG 3.47Å; R242-M246 PolarHBondContact O-N 3.19Å |
| 243 | L | 82.8 | Confident | 80.5 | Confident | 39 Ų | 39 | 99 Ų | 99 | 20% | 0.204 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -66.3 | -37.5 | 175.4 | -175.4 | 63.4 | 0 | 0 | 0 | 111.9 | M230 K234 A239 E240 A241 M246 R247 | M230-L243 HydrophobicContact CG-CD1 3.92Å; K234-L243 HydrophobicContact CB-CD1 3.88Å; K234-L243 HydrophobicContact CB-CD2 4.31Å; K234-L243 HydrophobicContact CD-CD2 4.28Å; K234-L243 HydrophobicContact CG-CD1 4.4Å; K234-L243 HydrophobicContact CG-CD2 3.96Å; A239-L243 PolarHBondContact O-N 3.02Å; A239-L243 VanDerWaalsContact O-N 3.08Å; E240-L243 PolarHBondContact O-N 3.28Å; A241-L243 PolarHBondContact O-N 2.97Å; L243-M246 PolarHBondContact O-N 3.46Å; L243-R247 WeakPolarHBondContact O-CB 3.38Å; L243-R247 PolarHBondContact O-N 3.23Å |
| 244 | H | 84.9 | Confident | 80.1 | Confident | 124 Ų | 124 | 98 Ų | 98 | 57% | 0.574 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -61.7 | -50.6 | 174.7 | -173.4 | -82.2 | 0 | 0 | 0 | 111.2 | E240 A241 R242 M246 R247 E248 | E240-H244 WeakPolarHBondContact O-CB 3.44Å; E240-H244 PolarHBondContact O-N 3.33Å; A241-H244 WeakPolarHBondContact O-CB 3.44Å; A241-H244 PolarHBondContact O-N 3.42Å; R242-H244 VanDerWaalsContact C-N 3.34Å; H244-M246 VanDerWaalsContact C-N 3.34Å; H244-M246 PolarHBondContact O-N 3.06Å; H244-R247 WeakPolarHBondContact O-CB 3.39Å; H244-R247 PolarHBondContact O-N 2.97Å; H244-R247 VanDerWaalsContact O-N 3.08Å; H244-E248 IonicContact CE1-OE2 3.65Å; H244-E248 PolarHBondContact O-N 3.27Å |
| 245 | E | 85.2 | Confident | 80 | Confident | 108 Ų | 108 | 94.7 Ų | 94.7 | 51% | 0.505 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -56.6 | -45.9 | 176.7 | -169 | -166.1 | 156.3 | 0 | 0 | 111.7 | A241 R242 R247 E248 Q249 | A241-E245 PolarHBondContact O-N 2.84Å; A241-E245 VanDerWaalsContact O-N 3.09Å; R242-E245 PolarHBondContact O-N 2.61Å; E245-R247 VanDerWaalsContact C-N 3.31Å; E245-R247 PolarHBondContact O-N 3.05Å; E245-E248 WeakPolarHBondContact O-CB 3.33Å; E245-E248 PolarHBondContact O-N 3.11Å; E245-Q249 WeakPolarHBondContact O-CG 3.28Å; E245-Q249 PolarHBondContact O-N 3.29Å; E245-Q249 PolarHBondContact OE1-NE2 3.46Å |
| 246 | M | 81 | Confident | 79.8 | Confident | 36 Ų | 36 | 87.6 Ų | 87.6 | 18% | 0.177 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -65.1 | -34.2 | 177 | -71.3 | -165.1 | 109.3 | 0 | 0 | 113.2 | H229 M230 Q233 R242 L243 H244 E248 S250 | H229-M246 HydrophobicContact CB-CE 3.73Å; M230-M246 HydrophobicContact CB-CB 4.34Å; M230-M246 HydrophobicContact CG-CB 4.35Å; Q233-M246 HydrophobicContact CB-SD 3.92Å; Q233-M246 HydrophobicContact CG-SD 4.31Å; Q233-M246 PolarHBondContact OE1-SD 2.93Å; R242-M246 WeakPolarHBondContact O-CG 3.47Å; R242-M246 PolarHBondContact O-N 3.19Å; L243-M246 PolarHBondContact O-N 3.46Å; H244-M246 VanDerWaalsContact C-N 3.34Å; H244-M246 PolarHBondContact O-N 3.06Å; M246-E248 VanDerWaalsContact C-N 3.35Å; M246-S250 WeakPolarHBondContact O-CB 3.02Å; M246-S250 PolarHBondContact O-N 3.18Å |
| 247 | R | 82.5 | Confident | 79.7 | Confident | 177 Ų | 177 | 81.3 Ų | 81.3 | 67% | 0.668 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -66.5 | -41.2 | 176.2 | -175.4 | -179.6 | -177.9 | 179.7 | -0.7 | 110.9 | M230 L243 H244 E245 S250 R251 | M230-R247 WeakPolarHBondContact SD-CA 3.46Å; M230-R247 HydrophobicContact SD-CB 3.77Å; M230-R247 HydrophobicContact SD-CG 4.05Å; L243-R247 WeakPolarHBondContact O-CB 3.38Å; L243-R247 PolarHBondContact O-N 3.23Å; H244-R247 WeakPolarHBondContact O-CB 3.39Å; H244-R247 PolarHBondContact O-N 2.97Å; H244-R247 VanDerWaalsContact O-N 3.08Å; E245-R247 VanDerWaalsContact C-N 3.31Å; E245-R247 PolarHBondContact O-N 3.05Å; R247-S250 PolarHBondContact O-N 3.08Å; R247-R251 WeakPolarHBondContact O-CB 3.45Å; R247-R251 PolarHBondContact O-N 2.93Å |
| 248 | E | 84.2 | Confident | 79.9 | Confident | 71 Ų | 71 | 79.6 Ų | 79.6 | 33% | 0.332 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62.2 | -51.4 | 174 | -176.6 | 148.7 | -134.8 | 0 | 0 | 111.2 | H244 E245 M246 S250 R251 D252 | H244-E248 IonicContact CE1-OE2 3.65Å; H244-E248 PolarHBondContact O-N 3.27Å; E245-E248 WeakPolarHBondContact O-CB 3.33Å; E245-E248 PolarHBondContact O-N 3.11Å; M246-E248 VanDerWaalsContact C-N 3.35Å; E248-S250 VanDerWaalsContact C-N 3.29Å; E248-S250 PolarHBondContact O-N 3.02Å; E248-R251 WeakPolarHBondContact O-CA 3.46Å; E248-R251 WeakPolarHBondContact O-CB 3.34Å; E248-R251 PolarHBondContact O-N 3.26Å; E248-R251 IonicContact OE1-NH2 3.55Å; E248-R251 PolarHBondContact OE1-NH2 3.45Å; E248-D252 VanDerWaalsContact O-CG 3.26Å; E248-D252 PolarHBondContact O-N 3.49Å |
| 249 | Q | 80.1 | Confident | 80.4 | Confident | 78 Ų | 78 | 76.3 Ų | 76.3 | 36% | 0.364 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -55.3 | -43.2 | 174.7 | -70.2 | 175.2 | 3.6 | 0 | 0 | 112.6 | M226 E245 R251 D252 A253 | M226-Q249 HydrophobicContact CE-CB 4.09Å; M226-Q249 HydrophobicContact SD-CB 4.32Å; E245-Q249 WeakPolarHBondContact O-CG 3.28Å; E245-Q249 PolarHBondContact O-N 3.29Å; E245-Q249 PolarHBondContact OE1-NE2 3.46Å; Q249-R251 VanDerWaalsContact C-N 3.34Å; Q249-R251 PolarHBondContact O-N 3.01Å; Q249-D252 PolarHBondContact O-N 2.71Å; Q249-A253 PolarHBondContact O-N 3.47Å |
| 250 | S | 76.5 | Confident | 80 | Confident | 7 Ų | 7 | 75 Ų | 75 | 5% | 0.049 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -66.3 | -34.9 | 176.9 | 179.9 | 0 | 0 | 0 | 0 | 112.9 | R227 M246 R247 E248 T254 | R227-S250 VanDerWaalsContact CG-OG 3.23Å; R227-S250 WeakPolarHBondContact CG-OG 3.48Å; M246-S250 WeakPolarHBondContact O-CB 3.02Å; M246-S250 PolarHBondContact O-N 3.18Å; R247-S250 PolarHBondContact O-N 3.08Å; E248-S250 VanDerWaalsContact C-N 3.29Å; E248-S250 PolarHBondContact O-N 3.02Å; S250-T254 PolarHBondContact O-N 2.96Å; S250-T254 PolarHBondContact O-OG1 2.9Å |
| 251 | R | 79.5 | Confident | 79.7 | Confident | 135 Ų | 135 | 68.3 Ų | 68.3 | 51% | 0.509 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -68.3 | -48.5 | 175.6 | -177.6 | -174.5 | 66.1 | -166.9 | -6.7 | 109.2 | R247 E248 Q249 A253 T254 I255 | R247-R251 WeakPolarHBondContact O-CB 3.45Å; R247-R251 PolarHBondContact O-N 2.93Å; E248-R251 WeakPolarHBondContact O-CA 3.46Å; E248-R251 WeakPolarHBondContact O-CB 3.34Å; E248-R251 PolarHBondContact O-N 3.26Å; E248-R251 IonicContact OE1-NH2 3.55Å; E248-R251 PolarHBondContact OE1-NH2 3.45Å; Q249-R251 VanDerWaalsContact C-N 3.34Å; Q249-R251 PolarHBondContact O-N 3.01Å; R251-A253 PolarHBondContact O-N 2.92Å; R251-T254 CarbonylContact O-C 3.58Å; R251-T254 WeakPolarHBondContact O-CA 3.19Å; R251-T254 WeakPolarHBondContact O-CB 3.45Å; R251-T254 PolarHBondContact O-N 3.43Å; R251-I255 HydrophobicContact CG-CD1 3.87Å; R251-I255 HydrophobicContact CG-CG1 4.42Å; R251-I255 WeakPolarHBondContact O-CG1 3.43Å; R251-I255 PolarHBondContact O-N 3.49Å |
| 252 | D | 79.5 | Confident | 79.4 | Confident | 39 Ų | 39 | 67 Ų | 67 | 21% | 0.209 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.6 | -44.3 | -177.7 | -65.9 | -5.3 | 0 | 0 | 0 | 111.5 | E248 Q249 T254 I255 I256 | E248-D252 VanDerWaalsContact O-CG 3.26Å; E248-D252 PolarHBondContact O-N 3.49Å; Q249-D252 PolarHBondContact O-N 2.71Å; D252-T254 VanDerWaalsContact C-N 3.29Å; D252-T254 PolarHBondContact O-N 3.36Å; D252-I255 PolarHBondContact O-N 3.1Å; D252-I255 VanDerWaalsContact O-N 3.12Å; D252-I256 WeakPolarHBondContact O-CG1 3.47Å; D252-I256 PolarHBondContact O-N 2.76Å |
| 253 | A | 76.9 | Confident | 79.1 | Confident | 7 Ų | 7 | 61.3 Ų | 61.3 | 6% | 0.058 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.9 | -35.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | I222 M226 Q249 R251 L257 | I222-A253 HydrophobicContact CG2-CB 4.01Å; M226-A253 HydrophobicContact SD-CB 3.4Å; M226-A253 WeakPolarHBondContact SD-CB 3.48Å; Q249-A253 PolarHBondContact O-N 3.47Å; R251-A253 PolarHBondContact O-N 2.92Å; A253-L257 WeakPolarHBondContact O-CB 3.33Å; A253-L257 PolarHBondContact O-N 3.3Å |
| 254 | T | 76.2 | Confident | 78.7 | Confident | 25 Ų | 25 | 61 Ų | 61 | 15% | 0.153 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -68.7 | -40.1 | 174.5 | -55.5 | 0 | 0 | 0 | 0 | 110.6 | R227 S250 R251 D252 L257 I258 | R227-T254 VanDerWaalsContact NH2-CG2 3.31Å; R227-T254 PolarHBondContact NH2-OG1 3.05Å; R227-T254 VanDerWaalsContact NH2-OG1 3.07Å; S250-T254 PolarHBondContact O-N 2.96Å; S250-T254 PolarHBondContact O-OG1 2.9Å; R251-T254 CarbonylContact O-C 3.58Å; R251-T254 WeakPolarHBondContact O-CA 3.19Å; R251-T254 WeakPolarHBondContact O-CB 3.45Å; R251-T254 PolarHBondContact O-N 3.43Å; D252-T254 VanDerWaalsContact C-N 3.29Å; D252-T254 PolarHBondContact O-N 3.36Å; T254-L257 WeakPolarHBondContact O-CB 3.11Å; T254-L257 PolarHBondContact O-N 3.32Å; T254-I258 HydrophobicContact CG2-CD1 4.02Å; T254-I258 WeakPolarHBondContact O-CG1 3.41Å; T254-I258 PolarHBondContact O-N 3.46Å |
| 255 | I | 80.5 | Confident | 78.3 | Confident | 71 Ų | 71 | 58.9 Ų | 58.9 | 36% | 0.364 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -63.6 | -46.7 | 176.4 | -68.7 | 170.8 | 0 | 0 | 0 | 110.2 | R251 D252 L257 I258 V259 L315 | R251-I255 HydrophobicContact CG-CD1 3.87Å; R251-I255 HydrophobicContact CG-CG1 4.42Å; R251-I255 WeakPolarHBondContact O-CG1 3.43Å; R251-I255 PolarHBondContact O-N 3.49Å; D252-I255 PolarHBondContact O-N 3.1Å; D252-I255 VanDerWaalsContact O-N 3.12Å; I255-L257 VanDerWaalsContact C-N 3.29Å; I255-L257 PolarHBondContact O-N 2.94Å; I255-I258 PolarHBondContact O-N 3.36Å; I255-V259 HydrophobicContact CG2-CG2 4.08Å; I255-V259 WeakPolarHBondContact O-CB 3.48Å; I255-V259 VanDerWaalsContact O-CG2 3.27Å; I255-V259 WeakPolarHBondContact O-CG2 3.31Å; I255-V259 PolarHBondContact O-N 3.26Å; I255-L315 HydrophobicContact CG2-CD2 4.24Å |
| 256 | I | 78.4 | Confident | 77.9 | Confident | 60 Ų | 60 | 59.8 Ų | 59.8 | 31% | 0.308 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -53.5 | -49 | 174 | -67.6 | 168 | 0 | 0 | 0 | 110.1 | D252 I258 V259 V260 L315 | D252-I256 WeakPolarHBondContact O-CG1 3.47Å; D252-I256 PolarHBondContact O-N 2.76Å; I256-I258 PolarHBondContact O-N 2.71Å; I256-V259 PolarHBondContact O-N 3.4Å; I256-V260 HydrophobicContact CG2-CG2 4.06Å; I256-V260 VanDerWaalsContact O-CB 3.28Å; I256-V260 WeakPolarHBondContact O-CB 3.49Å; I256-V260 WeakPolarHBondContact O-CG2 3.36Å; I256-V260 PolarHBondContact O-N 3.21Å; I256-L315 HydrophobicContact CB-CD1 4.45Å; I256-L315 HydrophobicContact CB-CD2 4.36Å; I256-L315 HydrophobicContact CD1-CD2 4.13Å; I256-L315 HydrophobicContact CG1-CD1 3.94Å; I256-L315 HydrophobicContact CG1-CD2 3.23Å; I256-L315 HydrophobicContact CG1-CG 4.16Å |
| 257 | L | 75.8 | Confident | 77.6 | Confident | 30 Ų | 30 | 58.8 Ų | 58.8 | 16% | 0.157 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -58.6 | -48.2 | 178.8 | 175.8 | 63.6 | 0 | 0 | 0 | 111.9 | L216 N219 A223 A253 T254 I255 V260 V261 | L216-L257 HydrophobicContact CD1-CD1 4.23Å; N219-L257 HydrophobicContact CB-CB 4.14Å; N219-L257 HydrophobicContact CB-CD1 3.65Å; N219-L257 HydrophobicContact CB-CG 4.46Å; A223-L257 HydrophobicContact CB-CD2 4.39Å; A253-L257 WeakPolarHBondContact O-CB 3.33Å; A253-L257 PolarHBondContact O-N 3.3Å; T254-L257 WeakPolarHBondContact O-CB 3.11Å; T254-L257 PolarHBondContact O-N 3.32Å; I255-L257 VanDerWaalsContact C-N 3.29Å; I255-L257 PolarHBondContact O-N 2.94Å; L257-V260 PolarHBondContact O-N 3.48Å; L257-V261 HydrophobicContact CD1-CG2 4.05Å; L257-V261 WeakPolarHBondContact O-CB 3.4Å; L257-V261 VanDerWaalsContact O-CG2 3.27Å; L257-V261 WeakPolarHBondContact O-CG2 3.36Å; L257-V261 PolarHBondContact O-N 2.91Å |
| 258 | I | 75.6 | Confident | 77.3 | Confident | 97 Ų | 97 | 51.7 Ų | 51.7 | 50% | 0.497 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61.3 | -49.8 | 179.6 | -68.9 | 167.3 | 0 | 0 | 0 | 110 | T254 I255 I256 V260 V261 S262 | T254-I258 HydrophobicContact CG2-CD1 4.02Å; T254-I258 WeakPolarHBondContact O-CG1 3.41Å; T254-I258 PolarHBondContact O-N 3.46Å; I255-I258 PolarHBondContact O-N 3.36Å; I256-I258 PolarHBondContact O-N 2.71Å; I258-V260 PolarHBondContact O-N 3.13Å; I258-V261 PolarHBondContact O-N 3.16Å; I258-S262 VanDerWaalsContact O-CB 3.32Å; I258-S262 WeakPolarHBondContact O-CB 3.38Å; I258-S262 PolarHBondContact O-N 3.46Å; I258-S262 PolarHBondContact O-OG 2.95Å |
| 259 | V | 79.1 | Confident | 77.1 | Confident | 34 Ų | 34 | 52.8 Ų | 52.8 | 21% | 0.206 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.4 | -49 | -179.9 | 171.1 | 0 | 0 | 0 | 0 | 110.6 | I255 I256 V261 S262 M263 F313 L315 | I255-V259 HydrophobicContact CG2-CG2 4.08Å; I255-V259 WeakPolarHBondContact O-CB 3.48Å; I255-V259 VanDerWaalsContact O-CG2 3.27Å; I255-V259 WeakPolarHBondContact O-CG2 3.31Å; I255-V259 PolarHBondContact O-N 3.26Å; I256-V259 PolarHBondContact O-N 3.4Å; V259-V261 PolarHBondContact O-N 3.28Å; V259-S262 PolarHBondContact O-N 3.04Å; V259-M263 HydrophobicContact CG1-CG 4.11Å; V259-M263 HydrophobicContact CG1-SD 3.44Å; V259-M263 WeakPolarHBondContact CG1-SD 3.49Å; V259-M263 VanDerWaalsContact O-CB 3.31Å; V259-M263 WeakPolarHBondContact O-CB 3.27Å; V259-M263 WeakPolarHBondContact O-CG 3.4Å; V259-M263 PolarHBondContact O-N 3.39Å; V259-F313 HydrophobicContact CG1-CB 4.37Å; V259-L315 HydrophobicContact CB-CD1 4.07Å; V259-L315 HydrophobicContact CG1-CD1 3.93Å; V259-L315 HydrophobicContact CG2-CD1 4.3Å |
| 260 | V | 73.1 | Confident | 77.3 | Confident | 30 Ų | 30 | 53.4 Ų | 53.4 | 18% | 0.182 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58.6 | -46.9 | 178.7 | 166.8 | 0 | 0 | 0 | 0 | 111.5 | L215 I256 L257 I258 F264 | L215-V260 HydrophobicContact CB-CG1 3.86Å; L215-V260 HydrophobicContact CD1-CG1 4.05Å; I256-V260 HydrophobicContact CG2-CG2 4.06Å; I256-V260 VanDerWaalsContact O-CB 3.28Å; I256-V260 WeakPolarHBondContact O-CB 3.49Å; I256-V260 WeakPolarHBondContact O-CG2 3.36Å; I256-V260 PolarHBondContact O-N 3.21Å; L257-V260 PolarHBondContact O-N 3.48Å; I258-V260 PolarHBondContact O-N 3.13Å; V260-F264 WeakPolarHBondContact O-CB 3.5Å; V260-F264 PolarHBondContact O-N 3.45Å |
| 261 | V | 75.1 | Confident | 77.6 | Confident | 34 Ų | 34 | 53.4 Ų | 53.4 | 21% | 0.206 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65.4 | -47.1 | 179.6 | 171.9 | 0 | 0 | 0 | 0 | 110.9 | L216 L257 I258 V259 F264 L265 | L216-V261 HydrophobicContact CD1-CG2 3.74Å; L257-V261 HydrophobicContact CD1-CG2 4.05Å; L257-V261 WeakPolarHBondContact O-CB 3.4Å; L257-V261 VanDerWaalsContact O-CG2 3.27Å; L257-V261 WeakPolarHBondContact O-CG2 3.36Å; L257-V261 PolarHBondContact O-N 2.91Å; I258-V261 PolarHBondContact O-N 3.16Å; V259-V261 PolarHBondContact O-N 3.28Å; V261-F264 PolarHBondContact O-N 2.86Å; V261-L265 HydrophobicContact CG1-CD1 3.89Å; V261-L265 HydrophobicContact CG1-CG 4.43Å; V261-L265 WeakPolarHBondContact O-CB 3.35Å; V261-L265 VanDerWaalsContact O-CG 3.25Å; V261-L265 WeakPolarHBondContact O-CG 3.36Å; V261-L265 PolarHBondContact O-N 3.26Å |
| 262 | S | 78.4 | Confident | 77.7 | Confident | 54 Ų | 54 | 50.1 Ų | 50.1 | 38% | 0.378 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63 | -47.6 | -179.7 | -65.4 | 0 | 0 | 0 | 0 | 112 | I258 V259 L265 I266 | I258-S262 VanDerWaalsContact O-CB 3.32Å; I258-S262 WeakPolarHBondContact O-CB 3.38Å; I258-S262 PolarHBondContact O-N 3.46Å; I258-S262 PolarHBondContact O-OG 2.95Å; V259-S262 PolarHBondContact O-N 3.04Å; S262-L265 PolarHBondContact O-N 2.97Å; S262-I266 WeakPolarHBondContact O-CB 3.12Å; S262-I266 VanDerWaalsContact O-CG1 3.26Å; S262-I266 WeakPolarHBondContact O-CG1 3.32Å; S262-I266 PolarHBondContact O-N 3.33Å |
| 263 | M | 76.1 | Confident | 78.1 | Confident | 32 Ų | 32 | 50.7 Ų | 50.7 | 16% | 0.158 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -66.3 | -40.7 | 179.6 | -66.7 | -178.5 | 89.2 | 0 | 0 | 111.4 | V259 I266 C267 V308 F313 | V259-M263 HydrophobicContact CG1-CG 4.11Å; V259-M263 HydrophobicContact CG1-SD 3.44Å; V259-M263 WeakPolarHBondContact CG1-SD 3.49Å; V259-M263 VanDerWaalsContact O-CB 3.31Å; V259-M263 WeakPolarHBondContact O-CB 3.27Å; V259-M263 WeakPolarHBondContact O-CG 3.4Å; V259-M263 PolarHBondContact O-N 3.39Å; M263-I266 PolarHBondContact O-N 3.22Å; M263-C267 WeakPolarHBondContact O-CB 3.45Å; M263-C267 PolarHBondContact O-N 3.25Å; M263-C267 PolarHBondContact O-SG 3.04Å; M263-C267 VanDerWaalsContact O-SG 3.42Å; M263-V308 HydrophobicContact CE-CG1 3.57Å; M263-V308 WeakPolarHBondContact CE-O 3.43Å; M263-F313 HydrophobicContact CE-CB 4.3Å; M263-F313 HydrophobicContact CE-CD1 4.34Å; M263-F313 HydrophobicContact CE-CD2 3.07Å; M263-F313 HydrophobicContact CE-CE1 4.48Å; M263-F313 HydrophobicContact CE-CE2 3.26Å; M263-F313 HydrophobicContact CE-CG 3.65Å; M263-F313 HydrophobicContact CE-CZ 3.99Å; M263-F313 HydrophobicContact SD-CB 4.14Å; M263-F313 HydrophobicContact SD-CD1 4.49Å; M263-F313 HydrophobicContact SD-CD2 3.98Å; M263-F313 HydrophobicContact SD-CG 3.94Å |
| 264 | F | 74.1 | Confident | 78.6 | Confident | 33 Ų | 33 | 50.4 Ų | 50.4 | 15% | 0.145 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.8 | -46.7 | 175.8 | -177.4 | -89.4 | 0 | 0 | 0 | 111.7 | V208 F212 V260 V261 N268 | V208-F264 HydrophobicContact CB-CE2 4.48Å; V208-F264 HydrophobicContact CB-CZ 4.3Å; V208-F264 HydrophobicContact CG1-CE1 4.32Å; V208-F264 HydrophobicContact CG1-CE2 3.87Å; V208-F264 HydrophobicContact CG1-CZ 3.32Å; V208-F264 VanDerWaalsContact O-CE2 3.26Å; V208-F264 WeakPolarHBondContact O-CE2 3.32Å; V208-F264 VanDerWaalsContact O-CZ 3.23Å; V208-F264 WeakPolarHBondContact O-CZ 3.39Å; F212-F264 HydrophobicContact CB-CD1 3.91Å; F212-F264 HydrophobicContact CB-CD2 3.9Å; F212-F264 HydrophobicContact CB-CE1 3.47Å; F212-F264 VanDerWaalsContact CB-CE1 3.47Å; F212-F264 HydrophobicContact CB-CE2 3.5Å; F212-F264 HydrophobicContact CB-CG 4.09Å; F212-F264 HydrophobicContact CB-CZ 3.23Å; F212-F264 HydrophobicContact CD1-CD1 4.39Å; F212-F264 AromaticContact CD1-CE1 3.97Å; F212-F264 HydrophobicContact CD1-CE1 3.97Å; F212-F264 HydrophobicContact CD1-CZ 4.49Å; F212-F264 HydrophobicContact CD2-CB 3.97Å; F212-F264 AromaticContact CD2-CD1 3.02Å; F212-F264 HydrophobicContact CD2-CD1 3.02Å; F212-F264 HydrophobicContact CD2-CD2 4.04Å; F212-F264 AromaticContact CD2-CE1 3.4Å; F212-F264 HydrophobicContact CD2-CE1 3.4Å; F212-F264 HydrophobicContact CD2-CE2 4.36Å; F212-F264 AromaticContact CD2-CG 3.38Å; F212-F264 HydrophobicContact CD2-CG 3.38Å; F212-F264 HydrophobicContact CD2-CZ 4.05Å; F212-F264 HydrophobicContact CE2-CB 4.39Å; F212-F264 AromaticContact CE2-CD1 3.5Å; F212-F264 HydrophobicContact CE2-CD1 3.5Å; F212-F264 VanDerWaalsContact CE2-CD1 3.5Å; F212-F264 HydrophobicContact CE2-CE1 4.04Å; F212-F264 HydrophobicContact CE2-CG 4.09Å; F212-F264 AromaticContact CG-CD1 3.53Å; F212-F264 HydrophobicContact CG-CD1 3.53Å; F212-F264 HydrophobicContact CG-CD2 4.36Å; F212-F264 AromaticContact CG-CE1 3.32Å; F212-F264 HydrophobicContact CG-CE1 3.32Å; F212-F264 HydrophobicContact CG-CE2 4.23Å; F212-F264 HydrophobicContact CG-CG 4.03Å; F212-F264 AromaticContact CG-CZ 3.7Å; F212-F264 HydrophobicContact CG-CZ 3.7Å; F212-F264 HydrophobicContact CZ-CD1 4.35Å; V260-F264 WeakPolarHBondContact O-CB 3.5Å; V260-F264 PolarHBondContact O-N 3.45Å; V261-F264 PolarHBondContact O-N 2.86Å; F264-N268 HydrophobicContact CD1-CB 4.42Å; F264-N268 HydrophobicContact CD2-CB 4.17Å; F264-N268 WeakPolarHBondContact CD2-ND2 3.43Å; F264-N268 HydrophobicContact CE1-CB 4.09Å; F264-N268 HydrophobicContact CE2-CB 3.76Å; F264-N268 VanDerWaalsContact CE2-ND2 3.31Å; F264-N268 WeakPolarHBondContact CE2-ND2 3.3Å; F264-N268 HydrophobicContact CG-CB 4.47Å; F264-N268 HydrophobicContact CZ-CB 3.74Å; F264-N268 WeakPolarHBondContact O-CA 3.25Å; F264-N268 VanDerWaalsContact O-CB 3.27Å; F264-N268 WeakPolarHBondContact O-CB 3.47Å; F264-N268 PolarHBondContact O-N 2.88Å; F264-N268 PolarHBondContact O-ND2 3.25Å |
| 265 | L | 76.6 | Confident | 79 | Confident | 79 Ų | 79 | 49.9 Ų | 49.9 | 41% | 0.414 | 27% | 0.265 | S | S | . | . | I | π-helix | trans | -59.6 | -50 | 176.7 | -73.3 | 171.8 | 0 | 0 | 0 | 110.7 | V261 S262 C267 L269 | V261-L265 HydrophobicContact CG1-CD1 3.89Å; V261-L265 HydrophobicContact CG1-CG 4.43Å; V261-L265 WeakPolarHBondContact O-CB 3.35Å; V261-L265 VanDerWaalsContact O-CG 3.25Å; V261-L265 WeakPolarHBondContact O-CG 3.36Å; V261-L265 PolarHBondContact O-N 3.26Å; S262-L265 PolarHBondContact O-N 2.97Å; L265-C267 PolarHBondContact O-N 3.29Å; L265-L269 WeakPolarHBondContact O-CA 3.39Å; L265-L269 WeakPolarHBondContact O-CB 3.38Å; L265-L269 PolarHBondContact O-N 3.47Å |
| 266 | I | 75.9 | Confident | 79.2 | Confident | 126 Ų | 126 | 50 Ų | 50 | 65% | 0.646 | 27% | 0.266 | S | S | * | . | I | π-helix | trans | -63.2 | -47.5 | -176.9 | -67.8 | 165.1 | 0 | 0 | 0 | 111.3 | S262 M263 | S262-I266 WeakPolarHBondContact O-CB 3.12Å; S262-I266 VanDerWaalsContact O-CG1 3.26Å; S262-I266 WeakPolarHBondContact O-CG1 3.32Å; S262-I266 PolarHBondContact O-N 3.33Å; M263-I266 PolarHBondContact O-N 3.22Å |
| 267 | C | 74.8 | Confident | 79.7 | Confident | 15 Ų | 15 | 49 Ų | 49 | 10% | 0.101 | 26% | 0.26 | C | S | . | . | I | π-helix | trans | -78.8 | -43.6 | -174 | -64.1 | 0 | 0 | 0 | 0 | 112.9 | M263 L265 V308 I309 | M263-C267 WeakPolarHBondContact O-CB 3.45Å; M263-C267 PolarHBondContact O-N 3.25Å; M263-C267 PolarHBondContact O-SG 3.04Å; M263-C267 VanDerWaalsContact O-SG 3.42Å; L265-C267 PolarHBondContact O-N 3.29Å; C267-V308 VanDerWaalsContact SG-CG1 3.57Å; C267-I309 HydrophobicContact CB-CD1 4.15Å; C267-I309 HydrophobicContact CB-CG1 4.18Å |
| 268 | N | 76 | Confident | 80.3 | Confident | 29 Ų | 29 | 49.1 Ų | 49.1 | 16% | 0.155 | 26% | 0.26 | C | S | . | . | I | π-helix | trans | -95.4 | -27.8 | -171 | -63.2 | -80.1 | 0 | 0 | 0 | 113.5 | V208 F264 W270 G271 L272 | V208-N268 HydrophobicContact CG1-CB 3.71Å; V208-N268 HydrophobicContact CG2-CB 4.41Å; V208-N268 WeakPolarHBondContact CG2-OD1 3.22Å; F264-N268 HydrophobicContact CD1-CB 4.42Å; F264-N268 HydrophobicContact CD2-CB 4.17Å; F264-N268 WeakPolarHBondContact CD2-ND2 3.43Å; F264-N268 HydrophobicContact CE1-CB 4.09Å; F264-N268 HydrophobicContact CE2-CB 3.76Å; F264-N268 VanDerWaalsContact CE2-ND2 3.31Å; F264-N268 WeakPolarHBondContact CE2-ND2 3.3Å; F264-N268 HydrophobicContact CG-CB 4.47Å; F264-N268 HydrophobicContact CZ-CB 3.74Å; F264-N268 WeakPolarHBondContact O-CA 3.25Å; F264-N268 VanDerWaalsContact O-CB 3.27Å; F264-N268 WeakPolarHBondContact O-CB 3.47Å; F264-N268 PolarHBondContact O-N 2.88Å; F264-N268 PolarHBondContact O-ND2 3.25Å; N268-W270 VanDerWaalsContact C-N 3.27Å; N268-W270 PolarHBondContact O-N 3.15Å; N268-G271 PolarHBondContact O-N 3.18Å; N268-L272 WeakPolarHBondContact O-CB 3.43Å; N268-L272 PolarHBondContact O-N 3.25Å |
| 269 | L | 79.9 | Confident | 80.6 | Confident | 93 Ų | 93 | 47.3 Ų | 47.3 | 49% | 0.487 | 26% | 0.26 | S | S | . | . | I | π-helix | trans | -63.3 | -40.9 | 174.4 | -173.1 | 61.9 | 0 | 0 | 0 | 110 | L265 L272 V273 | L265-L269 WeakPolarHBondContact O-CA 3.39Å; L265-L269 WeakPolarHBondContact O-CB 3.38Å; L265-L269 PolarHBondContact O-N 3.47Å; L269-L272 PolarHBondContact O-N 3.45Å; L269-V273 VanDerWaalsContact O-CG2 3.3Å; L269-V273 WeakPolarHBondContact O-CG2 3.22Å; L269-V273 PolarHBondContact O-N 2.67Å |
| 270 | W | 85.6 | Confident | 81 | Confident | 92 Ų | 92 | 53.6 Ų | 53.6 | 35% | 0.348 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -64.5 | -44.1 | 177.4 | -167.2 | -119.5 | 0 | 0 | 0 | 112.1 | N268 L272 V273 M274 F293 S297 V301 | N268-W270 VanDerWaalsContact C-N 3.27Å; N268-W270 PolarHBondContact O-N 3.15Å; W270-L272 VanDerWaalsContact C-N 3.3Å; W270-L272 PolarHBondContact O-N 3.1Å; W270-V273 HydrophobicContact CE3-CB 4.47Å; W270-V273 HydrophobicContact CZ3-CG1 4.34Å; W270-V273 PolarHBondContact O-N 3.28Å; W270-M274 HydrophobicContact CZ2-SD 4.4Å; W270-M274 WeakPolarHBondContact O-CG 3.18Å; W270-M274 PolarHBondContact O-N 2.89Å; W270-F293 AromaticContact CH2-CE2 3.67Å; W270-F293 HydrophobicContact CH2-CE2 3.67Å; W270-F293 AromaticContact CH2-CZ 3.58Å; W270-F293 HydrophobicContact CH2-CZ 3.58Å; W270-F293 AromaticContact CZ2-CE2 3.79Å; W270-F293 HydrophobicContact CZ2-CE2 3.79Å; W270-F293 AromaticContact CZ2-CZ 3.78Å; W270-F293 HydrophobicContact CZ2-CZ 3.78Å; W270-S297 WeakPolarHBondContact CZ2-OG 3.06Å; W270-V301 VanDerWaalsContact CD1-CG2 3.4Å; W270-V301 HydrophobicContact CG-CG2 4.22Å |
| 271 | G | 83.4 | Confident | 81.8 | Confident | 6 Ų | 6 | 58.9 Ų | 58.9 | 6% | 0.062 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -58.1 | -41.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | N268 M274 T275 | N268-G271 PolarHBondContact O-N 3.18Å; G271-M274 PolarHBondContact O-N 3.3Å; G271-T275 WeakPolarHBondContact O-CB 3.45Å; G271-T275 PolarHBondContact O-N 3.4Å; G271-T275 PolarHBondContact O-OG1 2.93Å |
| 272 | L | 81.6 | Confident | 82.3 | Confident | 66 Ų | 66 | 58.4 Ų | 58.4 | 35% | 0.346 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65.4 | -45.5 | 176.6 | -179 | 63.7 | 0 | 0 | 0 | 111.7 | N268 L269 W270 M274 T275 L276 | N268-L272 WeakPolarHBondContact O-CB 3.43Å; N268-L272 PolarHBondContact O-N 3.25Å; L269-L272 PolarHBondContact O-N 3.45Å; W270-L272 VanDerWaalsContact C-N 3.3Å; W270-L272 PolarHBondContact O-N 3.1Å; L272-M274 VanDerWaalsContact C-N 3.35Å; L272-M274 PolarHBondContact O-N 3.04Å; L272-T275 PolarHBondContact O-N 2.98Å; L272-L276 HydrophobicContact CD1-CD1 4.25Å; L272-L276 HydrophobicContact CD1-CG 4.22Å; L272-L276 HydrophobicContact CG-CD1 4.03Å; L272-L276 HydrophobicContact CG-CG 4.4Å; L272-L276 WeakPolarHBondContact O-CB 3.36Å; L272-L276 WeakPolarHBondContact O-CG 3.29Å; L272-L276 PolarHBondContact O-N 2.93Å |
| 273 | V | 86.8 | Confident | 82.6 | Confident | 51 Ų | 51 | 58.4 Ų | 58.4 | 31% | 0.309 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -57.5 | -49.2 | 176.1 | 169.1 | 0 | 0 | 0 | 0 | 110.2 | L269 W270 T275 L276 M277 | L269-V273 VanDerWaalsContact O-CG2 3.3Å; L269-V273 WeakPolarHBondContact O-CG2 3.22Å; L269-V273 PolarHBondContact O-N 2.67Å; W270-V273 HydrophobicContact CE3-CB 4.47Å; W270-V273 HydrophobicContact CZ3-CG1 4.34Å; W270-V273 PolarHBondContact O-N 3.28Å; V273-T275 VanDerWaalsContact C-N 3.32Å; V273-T275 PolarHBondContact O-N 3.48Å; V273-L276 PolarHBondContact O-N 3.1Å; V273-M277 HydrophobicContact CG1-CG 4.41Å; V273-M277 HydrophobicContact CG1-SD 4.11Å; V273-M277 VanDerWaalsContact O-CG 3.32Å; V273-M277 WeakPolarHBondContact O-CG 3.48Å; V273-M277 PolarHBondContact O-N 2.72Å |
| 274 | M | 88.3 | Confident | 83.2 | Confident | 1 Ų | 1 | 61.2 Ų | 61.2 | 1% | 0.005 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -59.9 | -43.6 | 177.2 | -70.5 | -57.3 | -63.8 | 0 | 0 | 112 | W270 G271 L272 L276 M277 E278 F293 Y294 S297 V301 | W270-M274 HydrophobicContact CZ2-SD 4.4Å; W270-M274 WeakPolarHBondContact O-CG 3.18Å; W270-M274 PolarHBondContact O-N 2.89Å; G271-M274 PolarHBondContact O-N 3.3Å; L272-M274 VanDerWaalsContact C-N 3.35Å; L272-M274 PolarHBondContact O-N 3.04Å; M274-L276 PolarHBondContact O-N 3.48Å; M274-M277 PolarHBondContact O-N 2.87Å; M274-E278 WeakPolarHBondContact O-CB 3.2Å; M274-E278 VanDerWaalsContact O-CG 3.27Å; M274-E278 WeakPolarHBondContact O-CG 3.06Å; M274-E278 PolarHBondContact O-N 3.46Å; M274-F293 HydrophobicContact SD-CE1 4.29Å; M274-F293 HydrophobicContact SD-CZ 4.48Å; M274-Y294 HydrophobicContact CE-CD2 3.51Å; M274-Y294 HydrophobicContact CE-CE2 3.76Å; M274-Y294 HydrophobicContact CE-CG 4.46Å; M274-S297 WeakPolarHBondContact SD-CB 3.15Å; M274-V301 HydrophobicContact CG-CG2 4.07Å |
| 275 | T | 83.8 | Confident | 83.9 | Confident | 15 Ų | 15 | 61.3 Ų | 61.3 | 9% | 0.092 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63.4 | -41.5 | 178.7 | -57.2 | 0 | 0 | 0 | 0 | 111.7 | L200 Q204 G271 L272 V273 E278 A279 | L200-T275 HydrophobicContact CD1-CG2 3.36Å; L200-T275 HydrophobicContact CG-CG2 3.76Å; Q204-T275 HydrophobicContact CG-CG2 4.48Å; Q204-T275 PolarHBondContact NE2-OG1 3.44Å; G271-T275 WeakPolarHBondContact O-CB 3.45Å; G271-T275 PolarHBondContact O-N 3.4Å; G271-T275 PolarHBondContact O-OG1 2.93Å; L272-T275 PolarHBondContact O-N 2.98Å; V273-T275 VanDerWaalsContact C-N 3.32Å; V273-T275 PolarHBondContact O-N 3.48Å; T275-E278 PolarHBondContact O-N 2.67Å; T275-A279 WeakPolarHBondContact O-CB 3.43Å; T275-A279 PolarHBondContact O-N 2.81Å |
| 276 | L | 84.6 | Confident | 84.6 | Confident | 74 Ų | 74 | 57.7 Ų | 57.7 | 39% | 0.387 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -68 | -42 | 176.3 | -70.7 | 173.1 | 0 | 0 | 0 | 111.3 | L272 V273 M274 E278 A279 F280 | L272-L276 HydrophobicContact CD1-CD1 4.25Å; L272-L276 HydrophobicContact CD1-CG 4.22Å; L272-L276 HydrophobicContact CG-CD1 4.03Å; L272-L276 HydrophobicContact CG-CG 4.4Å; L272-L276 WeakPolarHBondContact O-CB 3.36Å; L272-L276 WeakPolarHBondContact O-CG 3.29Å; L272-L276 PolarHBondContact O-N 2.93Å; V273-L276 PolarHBondContact O-N 3.1Å; M274-L276 PolarHBondContact O-N 3.48Å; L276-E278 VanDerWaalsContact C-N 3.32Å; L276-E278 PolarHBondContact O-N 3.08Å; L276-A279 PolarHBondContact O-N 3.19Å; L276-A279 VanDerWaalsContact O-N 3.13Å; L276-F280 HydrophobicContact CB-CD2 4.29Å; L276-F280 HydrophobicContact CB-CE2 4.31Å; L276-F280 HydrophobicContact CD2-CE2 4.23Å; L276-F280 WeakPolarHBondContact O-CD2 3.12Å; L276-F280 PolarHBondContact O-N 2.9Å |
| 277 | M | 89 | Confident | 85.2 | Confident | 38 Ų | 38 | 54.9 Ų | 54.9 | 19% | 0.187 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60 | -43.6 | 174.9 | -72 | -176.3 | 79.5 | 0 | 0 | 111.3 | V273 M274 A279 F280 Y281 L286 W290 F293 | V273-M277 HydrophobicContact CG1-CG 4.41Å; V273-M277 HydrophobicContact CG1-SD 4.11Å; V273-M277 VanDerWaalsContact O-CG 3.32Å; V273-M277 WeakPolarHBondContact O-CG 3.48Å; V273-M277 PolarHBondContact O-N 2.72Å; M274-M277 PolarHBondContact O-N 2.87Å; M277-A279 VanDerWaalsContact C-N 3.27Å; M277-A279 PolarHBondContact O-N 3.47Å; M277-F280 PolarHBondContact O-N 2.93Å; M277-Y281 HydrophobicContact CB-CD2 4.29Å; M277-Y281 HydrophobicContact CE-CE2 4.48Å; M277-Y281 WeakPolarHBondContact O-CB 3.21Å; M277-Y281 PolarHBondContact O-N 3.37Å; M277-L286 HydrophobicContact CB-CD1 4.09Å; M277-L286 HydrophobicContact CB-CD2 4.36Å; M277-L286 HydrophobicContact CE-CD2 3.88Å; M277-W290 HydrophobicContact CE-CZ3 4.32Å; M277-F293 HydrophobicContact CE-CE1 4.09Å; M277-F293 HydrophobicContact SD-CE1 4.12Å |
| 278 | E | 87.7 | Confident | 86 | Confident | 32 Ų | 32 | 61.4 Ų | 61.4 | 15% | 0.15 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.4 | -37.3 | 175.1 | -73.2 | 173.1 | 172.6 | 0 | 0 | 111.8 | M274 T275 L276 G282 V283 L286 Y294 R298 | M274-E278 WeakPolarHBondContact O-CB 3.2Å; M274-E278 VanDerWaalsContact O-CG 3.27Å; M274-E278 WeakPolarHBondContact O-CG 3.06Å; M274-E278 PolarHBondContact O-N 3.46Å; T275-E278 PolarHBondContact O-N 2.67Å; L276-E278 VanDerWaalsContact C-N 3.32Å; L276-E278 PolarHBondContact O-N 3.08Å; E278-G282 VanDerWaalsContact O-CA 3.25Å; E278-G282 WeakPolarHBondContact O-CA 3.37Å; E278-G282 PolarHBondContact O-N 2.78Å; E278-G282 VanDerWaalsContact O-N 3.16Å; E278-V283 HydrophobicContact CB-CG2 4.35Å; E278-V283 HydrophobicContact CG-CG2 4.13Å; E278-L286 HydrophobicContact CG-CD1 3.98Å; E278-Y294 HydrophobicContact CG-CE2 3.94Å; E278-Y294 WeakPolarHBondContact OE1-CE2 3.46Å; E278-Y294 PolarHBondContact OE1-OH 3.3Å; E278-R298 IonicContact OE1-CZ 3.02Å; E278-R298 IonicContact OE1-NE 3.77Å; E278-R298 IonicContact OE1-NH1 2.76Å; E278-R298 IonicContact OE1-NH2 3.98Å; E278-R298 IonicContact OE2-CZ 4Å; E278-R298 IonicContact OE2-NH1 2.96Å; E278-R298 IonicContact OE2-NH2 3.68Å |
| 279 | A | 83.3 | Confident | 86.8 | Confident | 60 Ų | 60 | 63.7 Ų | 63.7 | 50% | 0.496 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -72.7 | -39.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | L200 T275 L276 M277 | L200-A279 HydrophobicContact CD1-CB 4.12Å; T275-A279 WeakPolarHBondContact O-CB 3.43Å; T275-A279 PolarHBondContact O-N 2.81Å; L276-A279 PolarHBondContact O-N 3.19Å; L276-A279 VanDerWaalsContact O-N 3.13Å; M277-A279 VanDerWaalsContact C-N 3.27Å; M277-A279 PolarHBondContact O-N 3.47Å |
| 280 | F | 87.8 | Confident | 87.3 | Confident | 166 Ų | 166 | 65.1 Ų | 65.1 | 73% | 0.728 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -83.4 | -44.1 | -176.2 | -76.2 | -64.7 | 0 | 0 | 0 | 113.7 | L276 M277 | L276-F280 HydrophobicContact CB-CD2 4.29Å; L276-F280 HydrophobicContact CB-CE2 4.31Å; L276-F280 HydrophobicContact CD2-CE2 4.23Å; L276-F280 WeakPolarHBondContact O-CD2 3.12Å; L276-F280 PolarHBondContact O-N 2.9Å; M277-F280 PolarHBondContact O-N 2.93Å |
| 281 | Y | 88.1 | Confident | 87.6 | Confident | 140 Ų | 140 | 62.8 Ų | 62.8 | 55% | 0.549 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -95 | -24.5 | -175.8 | -64 | -76 | 0 | 0 | 0 | 112.8 | M277 A285 L286 | M277-Y281 HydrophobicContact CB-CD2 4.29Å; M277-Y281 HydrophobicContact CE-CE2 4.48Å; M277-Y281 WeakPolarHBondContact O-CB 3.21Å; M277-Y281 PolarHBondContact O-N 3.37Å; Y281-A285 VanDerWaalsContact O-CB 3.29Å; Y281-A285 WeakPolarHBondContact O-CB 3.39Å; Y281-L286 HydrophobicContact CD2-CD2 4.25Å; Y281-L286 HydrophobicContact CG-CD2 4.36Å |
| 282 | G | 85.5 | Confident | 88 | Confident | 25 Ų | 25 | 68.3 Ų | 68.3 | 26% | 0.258 | 37% | 0.367 | S | S | . | . | trans | 80.4 | 143.2 | -169.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | E278 A285 L286 | E278-G282 VanDerWaalsContact O-CA 3.25Å; E278-G282 WeakPolarHBondContact O-CA 3.37Å; E278-G282 PolarHBondContact O-N 2.78Å; E278-G282 VanDerWaalsContact O-N 3.16Å; G282-A285 PolarHBondContact O-N 3.04Å; G282-L286 PolarHBondContact O-N 3.19Å | ||
| 283 | V | 85.4 | Confident | 88.5 | Confident | 54 Ų | 54 | 69.2 Ų | 69.2 | 33% | 0.327 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -55.4 | -45.7 | -179.1 | 179.4 | 0 | 0 | 0 | 0 | 112.9 | E278 A285 L286 V287 Y294 | E278-V283 HydrophobicContact CB-CG2 4.35Å; E278-V283 HydrophobicContact CG-CG2 4.13Å; V283-A285 VanDerWaalsContact C-N 3.31Å; V283-A285 PolarHBondContact O-N 3.35Å; V283-L286 PolarHBondContact O-N 2.94Å; V283-V287 HydrophobicContact CG1-CG2 4.17Å; V283-V287 WeakPolarHBondContact O-CG2 3.48Å; V283-V287 PolarHBondContact O-N 3.45Å; V283-Y294 HydrophobicContact CG1-CE1 4.36Å |
| 284 | P | 88.1 | Confident | 88.7 | Confident | 90 Ų | 90 | 68.3 Ų | 68.3 | 58% | 0.584 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -61.8 | -37.8 | -177.9 | -23.5 | 34.9 | 0 | 0 | 0 | 113.1 | V287 M288 | P284-V287 PolarHBondContact O-N 3.03Å; P284-M288 WeakPolarHBondContact O-CB 3.21Å; P284-M288 WeakPolarHBondContact O-CG 3.43Å; P284-M288 PolarHBondContact O-N 3.28Å |
| 285 | A | 90.2 | Very high | 88.8 | Confident | 35 Ų | 35 | 69 Ų | 69 | 29% | 0.289 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -65.8 | -42.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y281 G282 V283 V287 M288 S289 | Y281-A285 VanDerWaalsContact O-CB 3.29Å; Y281-A285 WeakPolarHBondContact O-CB 3.39Å; G282-A285 PolarHBondContact O-N 3.04Å; V283-A285 VanDerWaalsContact C-N 3.31Å; V283-A285 PolarHBondContact O-N 3.35Å; A285-V287 PolarHBondContact O-N 3.2Å; A285-M288 PolarHBondContact O-N 3.29Å; A285-S289 VanDerWaalsContact O-CB 3.26Å; A285-S289 WeakPolarHBondContact O-CB 3.33Å; A285-S289 PolarHBondContact O-N 2.95Å; A285-S289 PolarHBondContact O-OG 2.61Å |
| 286 | L | 90.4 | Very high | 89.2 | Confident | 4 Ų | 4 | 71.2 Ų | 71.2 | 2% | 0.021 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -63.6 | -43 | 178 | -66.6 | 173 | 0 | 0 | 0 | 112.3 | M277 E278 Y281 G282 V283 W290 Y294 | M277-L286 HydrophobicContact CB-CD1 4.09Å; M277-L286 HydrophobicContact CB-CD2 4.36Å; M277-L286 HydrophobicContact CE-CD2 3.88Å; E278-L286 HydrophobicContact CG-CD1 3.98Å; Y281-L286 HydrophobicContact CD2-CD2 4.25Å; Y281-L286 HydrophobicContact CG-CD2 4.36Å; G282-L286 PolarHBondContact O-N 3.19Å; V283-L286 PolarHBondContact O-N 2.94Å; L286-W290 HydrophobicContact CD2-CE3 3.8Å; L286-W290 HydrophobicContact CD2-CZ3 3.83Å; L286-W290 CarbonylContact O-C 3.59Å; L286-W290 VanDerWaalsContact O-C 3.3Å; L286-W290 PolarHBondContact O-N 3.31Å; L286-Y294 HydrophobicContact CB-CD2 3.76Å; L286-Y294 HydrophobicContact CB-CE2 4.3Å; L286-Y294 HydrophobicContact CB-CG 4.09Å; L286-Y294 HydrophobicContact CD1-CD2 3.88Å; L286-Y294 HydrophobicContact CD1-CE2 3.9Å; L286-Y294 HydrophobicContact CG-CD2 4.42Å |
| 287 | V | 89.2 | Confident | 89.5 | Confident | 66 Ų | 66 | 68.1 Ų | 68.1 | 40% | 0.4 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -64.6 | -41.4 | 177.5 | 174.6 | 0 | 0 | 0 | 0 | 110.7 | V283 P284 A285 P291 Y294 | V283-V287 HydrophobicContact CG1-CG2 4.17Å; V283-V287 WeakPolarHBondContact O-CG2 3.48Å; V283-V287 PolarHBondContact O-N 3.45Å; P284-V287 PolarHBondContact O-N 3.03Å; A285-V287 PolarHBondContact O-N 3.2Å; V287-P291 WeakPolarHBondContact O-CA 3.33Å; V287-P291 WeakPolarHBondContact O-CB 3.4Å; V287-P291 WeakPolarHBondContact O-CD 3.08Å; V287-Y294 HydrophobicContact CG2-CD1 3.63Å; V287-Y294 HydrophobicContact CG2-CE1 3.74Å; V287-Y294 HydrophobicContact CG2-CG 4.5Å |
| 288 | M | 90.4 | Very high | 89.5 | Confident | 152 Ų | 152 | 69.7 Ų | 69.7 | 75% | 0.749 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -76.4 | -41.4 | -179.5 | -70.1 | -168.2 | -67 | 0 | 0 | 113.3 | P284 A285 | P284-M288 WeakPolarHBondContact O-CB 3.21Å; P284-M288 WeakPolarHBondContact O-CG 3.43Å; P284-M288 PolarHBondContact O-N 3.28Å; A285-M288 PolarHBondContact O-N 3.29Å |
| 289 | S | 92.9 | Very high | 89.4 | Confident | 78 Ų | 78 | 69.2 Ų | 69.2 | 55% | 0.545 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -80.6 | -39.2 | -174.9 | -61.2 | 0 | 0 | 0 | 0 | 113 | A285 | A285-S289 VanDerWaalsContact O-CB 3.26Å; A285-S289 WeakPolarHBondContact O-CB 3.33Å; A285-S289 PolarHBondContact O-N 2.95Å; A285-S289 PolarHBondContact O-OG 2.61Å |
| 290 | W | 91.7 | Very high | 89.6 | Confident | 122 Ų | 122 | 67.8 Ų | 67.8 | 46% | 0.462 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -138.6 | 61.1 | -175.3 | -53.3 | -60.9 | 0 | 0 | 0 | 112.1 | M277 L286 K292 F293 Y294 | M277-W290 HydrophobicContact CE-CZ3 4.32Å; L286-W290 HydrophobicContact CD2-CE3 3.8Å; L286-W290 HydrophobicContact CD2-CZ3 3.83Å; L286-W290 CarbonylContact O-C 3.59Å; L286-W290 VanDerWaalsContact O-C 3.3Å; L286-W290 PolarHBondContact O-N 3.31Å; W290-K292 PolarHBondContact O-N 3.07Å; W290-F293 HydrophobicContact CB-CB 4.07Å; W290-F293 HydrophobicContact CB-CD1 4.44Å; W290-F293 PolarHBondContact O-N 2.81Å; W290-Y294 WeakPolarHBondContact O-CB 3.48Å; W290-Y294 PolarHBondContact O-N 3.13Å |
| 291 | P | 91.3 | Very high | 89.6 | Confident | 44 Ų | 44 | 61.4 Ų | 61.4 | 29% | 0.286 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61.4 | -46.5 | -169.3 | 22.6 | -33.7 | 0 | 0 | 0 | 113.1 | W18 V287 Y294 A295 | W18-P291 HydrophobicContact CH2-CB 3.79Å; W18-P291 HydrophobicContact CH2-CG 4.2Å; W18-P291 HydrophobicContact CZ3-CB 4.29Å; V287-P291 WeakPolarHBondContact O-CA 3.33Å; V287-P291 WeakPolarHBondContact O-CB 3.4Å; V287-P291 WeakPolarHBondContact O-CD 3.08Å; P291-Y294 PolarHBondContact O-N 2.91Å; P291-A295 VanDerWaalsContact O-CB 3.23Å; P291-A295 WeakPolarHBondContact O-CB 3.43Å; P291-A295 PolarHBondContact O-N 3.37Å |
| 292 | K | 91.1 | Very high | 89.5 | Confident | 122 Ų | 122 | 56.9 Ų | 56.9 | 53% | 0.53 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -59.4 | -50.6 | 177.5 | -75.3 | -168.5 | -176.7 | -160.6 | 0 | 111.5 | W18 W290 A295 F296 | W18-K292 HydrophobicContact CD2-CG 4.08Å; W18-K292 VanDerWaalsContact CE2-CG 3.49Å; W18-K292 HydrophobicContact CE3-CG 4.36Å; W18-K292 HydrophobicContact CH2-CB 4.44Å; W18-K292 HydrophobicContact CH2-CG 3.63Å; W18-K292 HydrophobicContact CZ2-CB 4.46Å; W18-K292 HydrophobicContact CZ2-CD 4.11Å; W18-K292 HydrophobicContact CZ2-CG 3.25Å; W18-K292 HydrophobicContact CZ3-CG 4.15Å; W18-K292 VanDerWaalsContact NE1-CE 3.29Å; W290-K292 PolarHBondContact O-N 3.07Å; K292-A295 PolarHBondContact O-N 3.16Å; K292-F296 WeakPolarHBondContact O-CD2 3.42Å; K292-F296 PolarHBondContact O-N 3.41Å |
| 293 | F | 92.7 | Very high | 89.4 | Confident | 85 Ų | 85 | 55.7 Ų | 55.7 | 37% | 0.373 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -59.9 | -50.5 | -179 | 171.6 | -99.4 | 0 | 0 | 0 | 110.5 | W270 M274 M277 W290 A295 S297 | W270-F293 AromaticContact CH2-CE2 3.67Å; W270-F293 HydrophobicContact CH2-CE2 3.67Å; W270-F293 AromaticContact CH2-CZ 3.58Å; W270-F293 HydrophobicContact CH2-CZ 3.58Å; W270-F293 AromaticContact CZ2-CE2 3.79Å; W270-F293 HydrophobicContact CZ2-CE2 3.79Å; W270-F293 AromaticContact CZ2-CZ 3.78Å; W270-F293 HydrophobicContact CZ2-CZ 3.78Å; M274-F293 HydrophobicContact SD-CE1 4.29Å; M274-F293 HydrophobicContact SD-CZ 4.48Å; M277-F293 HydrophobicContact CE-CE1 4.09Å; M277-F293 HydrophobicContact SD-CE1 4.12Å; W290-F293 HydrophobicContact CB-CB 4.07Å; W290-F293 HydrophobicContact CB-CD1 4.44Å; W290-F293 PolarHBondContact O-N 2.81Å; F293-A295 PolarHBondContact O-N 3.46Å; F293-S297 WeakPolarHBondContact O-CB 3.16Å; F293-S297 PolarHBondContact O-N 3.49Å; F293-S297 PolarHBondContact O-OG 3.03Å |
| 294 | Y | 92.1 | Very high | 88.9 | Confident | 31 Ų | 31 | 55.5 Ų | 55.5 | 12% | 0.122 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60 | -49.1 | -179.5 | -179.5 | -103.5 | 0 | 0 | 0 | 111.7 | M274 E278 V283 L286 V287 W290 P291 S297 R298 | M274-Y294 HydrophobicContact CE-CD2 3.51Å; M274-Y294 HydrophobicContact CE-CE2 3.76Å; M274-Y294 HydrophobicContact CE-CG 4.46Å; E278-Y294 HydrophobicContact CG-CE2 3.94Å; E278-Y294 WeakPolarHBondContact OE1-CE2 3.46Å; E278-Y294 PolarHBondContact OE1-OH 3.3Å; V283-Y294 HydrophobicContact CG1-CE1 4.36Å; L286-Y294 HydrophobicContact CB-CD2 3.76Å; L286-Y294 HydrophobicContact CB-CE2 4.3Å; L286-Y294 HydrophobicContact CB-CG 4.09Å; L286-Y294 HydrophobicContact CD1-CD2 3.88Å; L286-Y294 HydrophobicContact CD1-CE2 3.9Å; L286-Y294 HydrophobicContact CG-CD2 4.42Å; V287-Y294 HydrophobicContact CG2-CD1 3.63Å; V287-Y294 HydrophobicContact CG2-CE1 3.74Å; V287-Y294 HydrophobicContact CG2-CG 4.5Å; W290-Y294 WeakPolarHBondContact O-CB 3.48Å; W290-Y294 PolarHBondContact O-N 3.13Å; P291-Y294 PolarHBondContact O-N 2.91Å; Y294-S297 PolarHBondContact O-N 2.77Å; Y294-R298 WeakPolarHBondContact O-CB 3.03Å; Y294-R298 PolarHBondContact O-N 3.32Å |
| 295 | A | 90.2 | Very high | 88.3 | Confident | 16 Ų | 16 | 51.7 Ų | 51.7 | 13% | 0.132 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -58 | -59.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | W18 P291 K292 F293 S297 R298 E299 | W18-A295 HydrophobicContact CE3-CB 4.31Å; W18-A295 HydrophobicContact CZ3-CB 4.22Å; P291-A295 VanDerWaalsContact O-CB 3.23Å; P291-A295 WeakPolarHBondContact O-CB 3.43Å; P291-A295 PolarHBondContact O-N 3.37Å; K292-A295 PolarHBondContact O-N 3.16Å; F293-A295 PolarHBondContact O-N 3.46Å; A295-S297 VanDerWaalsContact C-N 3.31Å; A295-S297 PolarHBondContact O-N 2.91Å; A295-R298 PolarHBondContact O-N 3.42Å; A295-E299 WeakPolarHBondContact O-CG 3.28Å; A295-E299 PolarHBondContact O-N 3.48Å |
| 296 | F | 90.8 | Very high | 87.9 | Confident | 61 Ų | 61 | 50.4 Ų | 50.4 | 27% | 0.268 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -65.3 | -34.4 | -177.5 | -80.7 | -82.9 | 0 | 0 | 0 | 112.9 | W18 E21 K22 L25 K292 R298 E299 A300 | W18-F296 HydrophobicContact CB-CE2 4.01Å; W18-F296 HydrophobicContact CB-CZ 4.04Å; W18-F296 HydrophobicContact CD2-CE2 4.35Å; W18-F296 HydrophobicContact CE3-CE2 4.48Å; W18-F296 HydrophobicContact CG-CE2 4.1Å; E21-F296 HydrophobicContact CB-CE1 4.26Å; E21-F296 HydrophobicContact CB-CZ 3.75Å; K22-F296 HydrophobicContact CG-CE1 4.44Å; K22-F296 HydrophobicContact CG-CZ 4.47Å; L25-F296 HydrophobicContact CD2-CD1 4.1Å; L25-F296 HydrophobicContact CD2-CE1 4.16Å; K292-F296 WeakPolarHBondContact O-CD2 3.42Å; K292-F296 PolarHBondContact O-N 3.41Å; F296-R298 VanDerWaalsContact C-N 3.34Å; F296-E299 PolarHBondContact O-N 2.04Å; F296-A300 WeakPolarHBondContact O-CB 2.97Å; F296-A300 PolarHBondContact O-N 3.46Å |
| 297 | S | 91.1 | Very high | 87.4 | Confident | 10 Ų | 10 | 50.3 Ų | 50.3 | 7% | 0.07 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -66.1 | -39.9 | 176.7 | -58.5 | 0 | 0 | 0 | 0 | 111.5 | W270 M274 F293 Y294 A295 A300 V301 | W270-S297 WeakPolarHBondContact CZ2-OG 3.06Å; M274-S297 WeakPolarHBondContact SD-CB 3.15Å; F293-S297 WeakPolarHBondContact O-CB 3.16Å; F293-S297 PolarHBondContact O-N 3.49Å; F293-S297 PolarHBondContact O-OG 3.03Å; Y294-S297 PolarHBondContact O-N 2.77Å; A295-S297 VanDerWaalsContact C-N 3.31Å; A295-S297 PolarHBondContact O-N 2.91Å; S297-A300 PolarHBondContact O-N 3.36Å; S297-V301 WeakPolarHBondContact O-CG2 3.48Å; S297-V301 PolarHBondContact O-N 3.29Å |
| 298 | R | 89.4 | Confident | 86.6 | Confident | 70 Ų | 70 | 49.5 Ų | 49.5 | 26% | 0.264 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -68.3 | -40.7 | 177.8 | -165.7 | 59.5 | 169.9 | -179.6 | -6.9 | 111.9 | E278 Y294 A295 F296 A300 V301 N302 | E278-R298 IonicContact OE1-CZ 3.02Å; E278-R298 IonicContact OE1-NE 3.77Å; E278-R298 IonicContact OE1-NH1 2.76Å; E278-R298 IonicContact OE1-NH2 3.98Å; E278-R298 IonicContact OE2-CZ 4Å; E278-R298 IonicContact OE2-NH1 2.96Å; E278-R298 IonicContact OE2-NH2 3.68Å; Y294-R298 WeakPolarHBondContact O-CB 3.03Å; Y294-R298 PolarHBondContact O-N 3.32Å; A295-R298 PolarHBondContact O-N 3.42Å; F296-R298 VanDerWaalsContact C-N 3.34Å; R298-A300 VanDerWaalsContact C-N 3.34Å; R298-A300 PolarHBondContact O-N 3.42Å; R298-V301 PolarHBondContact O-N 2.79Å; R298-N302 WeakPolarHBondContact O-CB 3.45Å; R298-N302 PolarHBondContact O-N 2.91Å; R298-N302 PolarHBondContact O-ND2 3.36Å |
| 299 | E | 86.8 | Confident | 85.6 | Confident | 22 Ų | 22 | 45.1 Ų | 45.1 | 10% | 0.103 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.1 | -44 | 172.4 | -62.5 | -46.8 | 143.6 | 0 | 0 | 111.8 | K22 I26 Y83 A295 F296 V301 N302 F303 | K22-E299 IonicContact NZ-OE1 3.19Å; K22-E299 PolarHBondContact NZ-OE1 3.39Å; I26-E299 HydrophobicContact CD1-CB 3.99Å; Y83-E299 PolarHBondContact OH-OE1 3.1Å; Y83-E299 PolarHBondContact OH-OE2 3.38Å; Y83-E299 VanDerWaalsContact OH-OE2 3.08Å; A295-E299 WeakPolarHBondContact O-CG 3.28Å; A295-E299 PolarHBondContact O-N 3.48Å; F296-E299 PolarHBondContact O-N 2.04Å; E299-V301 VanDerWaalsContact C-N 3.34Å; E299-V301 PolarHBondContact O-N 3.43Å; E299-N302 PolarHBondContact O-N 3.36Å; E299-F303 PolarHBondContact O-N 2.8Å |
| 300 | A | 86.9 | Confident | 84.6 | Confident | 30 Ų | 30 | 41.5 Ų | 41.5 | 25% | 0.248 | 21% | 0.206 | C | C | . | . | I | π-helix | trans | -61.8 | -41.6 | 179 | 0 | 0 | 0 | 0 | 0 | 112 | F296 S297 R298 L304 G305 | F296-A300 WeakPolarHBondContact O-CB 2.97Å; F296-A300 PolarHBondContact O-N 3.46Å; S297-A300 PolarHBondContact O-N 3.36Å; R298-A300 VanDerWaalsContact C-N 3.34Å; R298-A300 PolarHBondContact O-N 3.42Å; A300-L304 HydrophobicContact CB-CD1 4.11Å; A300-L304 CarbonylContact O-C 3.51Å; A300-L304 WeakPolarHBondContact O-CB 3.3Å; A300-L304 PolarHBondContact O-N 3.05Å; A300-G305 PolarHBondContact O-N 3.48Å |
| 301 | V | 87.2 | Confident | 83.4 | Confident | 32 Ų | 32 | 38 Ų | 38 | 19% | 0.194 | 20% | 0.195 | C | C | . | . | I | π-helix | trans | -65.5 | -47.7 | 175.2 | 174.3 | 0 | 0 | 0 | 0 | 111.2 | W270 M274 S297 R298 E299 | W270-V301 VanDerWaalsContact CD1-CG2 3.4Å; W270-V301 HydrophobicContact CG-CG2 4.22Å; M274-V301 HydrophobicContact CG-CG2 4.07Å; S297-V301 WeakPolarHBondContact O-CG2 3.48Å; S297-V301 PolarHBondContact O-N 3.29Å; R298-V301 PolarHBondContact O-N 2.79Å; E299-V301 VanDerWaalsContact C-N 3.34Å; E299-V301 PolarHBondContact O-N 3.43Å |
| 302 | N | 85.6 | Confident | 81.5 | Confident | 45 Ų | 45 | 37.9 Ų | 37.9 | 24% | 0.241 | 19% | 0.194 | C | C | . | . | I | π-helix | trans | -73.1 | -37.6 | -170.6 | -77.7 | -18.5 | 0 | 0 | 0 | 113.5 | Y79 R298 E299 K306 | Y79-N302 HydrophobicContact CE1-CB 3.85Å; R298-N302 WeakPolarHBondContact O-CB 3.45Å; R298-N302 PolarHBondContact O-N 2.91Å; R298-N302 PolarHBondContact O-ND2 3.36Å; E299-N302 PolarHBondContact O-N 3.36Å; N302-K306 WeakPolarHBondContact O-CD 3.35Å; N302-K306 WeakPolarHBondContact O-CE 3.23Å; N302-K306 VanDerWaalsContact O-CG 3.3Å; N302-K306 WeakPolarHBondContact O-CG 3.45Å |
| 303 | F | 84 | Confident | 79.7 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.189 | C | C | . | . | I | π-helix | trans | -113.2 | -57.4 | -173.6 | -173.3 | -125.7 | 0 | 0 | 0 | 112.8 | I26 A75 Y79 S80 E299 G305 K306 L307 | I26-F303 HydrophobicContact CB-CD1 4.32Å; I26-F303 HydrophobicContact CB-CE1 4.43Å; I26-F303 HydrophobicContact CD1-CD1 3.93Å; I26-F303 HydrophobicContact CG2-CD1 3.56Å; I26-F303 HydrophobicContact CG2-CE1 3.69Å; I26-F303 HydrophobicContact CG2-CG 4.19Å; I26-F303 WeakPolarHBondContact O-CE1 3.34Å; A75-F303 HydrophobicContact CB-CD2 4.09Å; A75-F303 HydrophobicContact CB-CE2 3.96Å; Y79-F303 HydrophobicContact CD2-CB 4.04Å; Y79-F303 AromaticContact CD2-CD2 3.49Å; Y79-F303 HydrophobicContact CD2-CD2 3.49Å; Y79-F303 VanDerWaalsContact CD2-CD2 3.49Å; Y79-F303 HydrophobicContact CD2-CE2 4.27Å; Y79-F303 HydrophobicContact CD2-CG 4.11Å; Y79-F303 HydrophobicContact CE2-CD2 4.37Å; Y79-F303 HydrophobicContact CG-CB 4.14Å; Y79-F303 HydrophobicContact CG-CD2 4.04Å; Y79-F303 HydrophobicContact CG-CG 4.32Å; S80-F303 WeakPolarHBondContact OG-CZ 3.43Å; E299-F303 PolarHBondContact O-N 2.8Å; F303-G305 VanDerWaalsContact C-N 3.28Å; F303-G305 PolarHBondContact O-N 2.91Å; F303-K306 WeakPolarHBondContact O-CA 3.19Å; F303-K306 WeakPolarHBondContact O-CB 3.35Å; F303-K306 PolarHBondContact O-N 3.45Å; F303-L307 HydrophobicContact CD1-CD1 4.18Å; F303-L307 HydrophobicContact CE1-CD1 3.9Å; F303-L307 HydrophobicContact CE2-CD1 4.43Å; F303-L307 HydrophobicContact CE2-CD2 4.19Å; F303-L307 HydrophobicContact CE2-CG 4.4Å; F303-L307 HydrophobicContact CZ-CD1 4.02Å; F303-L307 HydrophobicContact CZ-CD2 4.36Å; F303-L307 HydrophobicContact CZ-CG 4.46Å; F303-L307 WeakPolarHBondContact O-CG 3.34Å; F303-L307 PolarHBondContact O-N 3.16Å |
| 304 | L | 75.3 | Confident | 77.2 | Confident | 50 Ų | 50 | 37.4 Ų | 37.4 | 26% | 0.262 | 20% | 0.203 | S | C | . | . | I | π-helix | trans | -62.4 | -37.9 | -177.8 | -61.7 | 175.1 | 0 | 0 | 0 | 111.5 | A300 K306 L307 V308 | A300-L304 HydrophobicContact CB-CD1 4.11Å; A300-L304 CarbonylContact O-C 3.51Å; A300-L304 WeakPolarHBondContact O-CB 3.3Å; A300-L304 PolarHBondContact O-N 3.05Å; L304-K306 VanDerWaalsContact C-N 3.3Å; L304-K306 PolarHBondContact O-N 3.47Å; L304-L307 HydrophobicContact CD2-CD1 4.31Å; L304-L307 PolarHBondContact O-N 3.35Å; L304-V308 WeakPolarHBondContact O-CG2 3.45Å; L304-V308 PolarHBondContact O-N 3.01Å |
| 305 | G | 75.7 | Confident | 74.8 | Confident | 10 Ų | 10 | 38.2 Ų | 38.2 | 10% | 0.103 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -56.4 | -43 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | A300 F303 I309 | A300-G305 PolarHBondContact O-N 3.48Å; F303-G305 VanDerWaalsContact C-N 3.28Å; F303-G305 PolarHBondContact O-N 2.91Å; G305-I309 VanDerWaalsContact O-CD1 3.3Å; G305-I309 WeakPolarHBondContact O-CD1 3.26Å; G305-I309 WeakPolarHBondContact O-CG1 3.5Å; G305-I309 PolarHBondContact O-N 3.5Å |
| 306 | K | 81.2 | Confident | 72.6 | Confident | 8 Ų | 8 | 40.5 Ų | 40.5 | 4% | 0.035 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.3 | -43.2 | 176.7 | -68.3 | -179.7 | -176.4 | 177 | 0 | 111.7 | L71 A75 Y79 S108 N302 F303 L304 I309 V310 | L71-K306 HydrophobicContact CD1-CD 4.16Å; A75-K306 HydrophobicContact CB-CD 4.34Å; Y79-K306 HydrophobicContact CE2-CD 4.2Å; Y79-K306 PolarHBondContact OH-NZ 3.27Å; S108-K306 PolarHBondContact OG-NZ 2.92Å; N302-K306 WeakPolarHBondContact O-CD 3.35Å; N302-K306 WeakPolarHBondContact O-CE 3.23Å; N302-K306 VanDerWaalsContact O-CG 3.3Å; N302-K306 WeakPolarHBondContact O-CG 3.45Å; F303-K306 WeakPolarHBondContact O-CA 3.19Å; F303-K306 WeakPolarHBondContact O-CB 3.35Å; F303-K306 PolarHBondContact O-N 3.45Å; L304-K306 VanDerWaalsContact C-N 3.3Å; L304-K306 PolarHBondContact O-N 3.47Å; K306-I309 PolarHBondContact O-N 2.89Å; K306-V310 WeakPolarHBondContact O-CG2 3.29Å; K306-V310 PolarHBondContact O-N 3.49Å |
| 307 | L | 80.4 | Confident | 70.2 | Confident | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64 | -43 | -179.6 | -62.5 | -178.1 | 0 | 0 | 0 | 112.7 | G30 I33 A34 L72 F303 L304 V310 M311 | G30-L307 WeakPolarHBondContact O-CD1 3.44Å; I33-L307 HydrophobicContact CB-CD1 4.03Å; I33-L307 HydrophobicContact CG2-CB 3.93Å; I33-L307 HydrophobicContact CG2-CD1 3.75Å; I33-L307 HydrophobicContact CG2-CG 4.29Å; A34-L307 HydrophobicContact CB-CD2 3.76Å; L72-L307 HydrophobicContact CD2-CD2 3.4Å; F303-L307 HydrophobicContact CD1-CD1 4.18Å; F303-L307 HydrophobicContact CE1-CD1 3.9Å; F303-L307 HydrophobicContact CE2-CD1 4.43Å; F303-L307 HydrophobicContact CE2-CD2 4.19Å; F303-L307 HydrophobicContact CE2-CG 4.4Å; F303-L307 HydrophobicContact CZ-CD1 4.02Å; F303-L307 HydrophobicContact CZ-CD2 4.36Å; F303-L307 HydrophobicContact CZ-CG 4.46Å; F303-L307 WeakPolarHBondContact O-CG 3.34Å; F303-L307 PolarHBondContact O-N 3.16Å; L304-L307 HydrophobicContact CD2-CD1 4.31Å; L304-L307 PolarHBondContact O-N 3.35Å; L307-V310 WeakPolarHBondContact O-CG2 3.25Å; L307-V310 PolarHBondContact O-N 2.96Å; L307-M311 PolarHBondContact O-N 2.84Å; L307-M311 VanDerWaalsContact O-N 3.09Å |
| 308 | V | 71.5 | Confident | 67.5 | Low | 49 Ų | 49 | 48.4 Ų | 48.4 | 30% | 0.297 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -67.3 | -39.1 | -178.1 | 172 | 0 | 0 | 0 | 0 | 110.9 | M263 C267 L304 V310 F313 | M263-V308 HydrophobicContact CE-CG1 3.57Å; M263-V308 WeakPolarHBondContact CE-O 3.43Å; C267-V308 VanDerWaalsContact SG-CG1 3.57Å; L304-V308 WeakPolarHBondContact O-CG2 3.45Å; L304-V308 PolarHBondContact O-N 3.01Å; V308-V310 VanDerWaalsContact C-N 3.34Å; V308-V310 PolarHBondContact O-N 3.15Å; V308-F313 HydrophobicContact CG1-CE2 4.08Å; V308-F313 HydrophobicContact CG1-CZ 4.42Å |
| 309 | I | 70.2 | Confident | 64.9 | Low | 61 Ų | 61 | 50.1 Ų | 50.1 | 31% | 0.313 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -64.9 | -37 | -178.9 | -69.8 | 167.1 | 0 | 0 | 0 | 112.2 | C267 G305 K306 | C267-I309 HydrophobicContact CB-CD1 4.15Å; C267-I309 HydrophobicContact CB-CG1 4.18Å; G305-I309 VanDerWaalsContact O-CD1 3.3Å; G305-I309 WeakPolarHBondContact O-CD1 3.26Å; G305-I309 WeakPolarHBondContact O-CG1 3.5Å; G305-I309 PolarHBondContact O-N 3.5Å; K306-I309 PolarHBondContact O-N 2.89Å |
| 310 | V | 72 | Confident | 62.3 | Low | 2 Ų | 2 | 51.6 Ų | 51.6 | 1% | 0.012 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -96.9 | -10 | -173.7 | -62.1 | 0 | 0 | 0 | 0 | 114.6 | N41 D68 L71 L72 K306 L307 V308 P312 | N41-V310 PolarHBondContact ND2-O 2.84Å; N41-V310 VanDerWaalsContact ND2-O 3.11Å; D68-V310 HydrophobicContact CB-CB 4.02Å; D68-V310 HydrophobicContact CB-CG1 4.1Å; L71-V310 HydrophobicContact CD2-CG1 3.4Å; L71-V310 HydrophobicContact CG-CG1 4.18Å; L72-V310 HydrophobicContact CD1-CB 4.5Å; L72-V310 HydrophobicContact CD1-CG2 3.8Å; L72-V310 HydrophobicContact CD2-CG2 3.26Å; L72-V310 HydrophobicContact CG-CB 4.34Å; L72-V310 HydrophobicContact CG-CG2 3.48Å; L72-V310 VanDerWaalsContact CG-CG2 3.48Å; K306-V310 WeakPolarHBondContact O-CG2 3.29Å; K306-V310 PolarHBondContact O-N 3.49Å; L307-V310 WeakPolarHBondContact O-CG2 3.25Å; L307-V310 PolarHBondContact O-N 2.96Å; V308-V310 VanDerWaalsContact C-N 3.34Å; V308-V310 PolarHBondContact O-N 3.15Å; V310-P312 WeakPolarHBondContact O-CD 3.16Å |
| 311 | M | 65.9 | Low | 59.7 | Low | 49 Ų | 49 | 53 Ų | 53 | 24% | 0.241 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -68.3 | 128.7 | 170.3 | -92.2 | -160.4 | 163.5 | 0 | 0 | 108.6 | I33 L36 L307 F313 | I33-M311 HydrophobicContact CB-CE 4.12Å; I33-M311 HydrophobicContact CG2-CE 3.35Å; I33-M311 HydrophobicContact CG2-SD 3.99Å; I33-M311 WeakPolarHBondContact O-CE 3.4Å; L36-M311 HydrophobicContact CB-CE 3.82Å; L36-M311 HydrophobicContact CD1-CE 4.47Å; L307-M311 PolarHBondContact O-N 2.84Å; L307-M311 VanDerWaalsContact O-N 3.09Å; M311-F313 HydrophobicContact CB-CD2 4.18Å; M311-F313 HydrophobicContact CB-CE2 4.26Å; M311-F313 PolarHBondContact O-N 2.69Å |
| 312 | P | 52.4 | Low | 57.2 | Low | 40 Ų | 40 | 57.4 Ų | 57.4 | 26% | 0.26 | 31% | 0.312 | S | S | . | . | trans | -69.4 | 86.9 | 172.1 | 25.9 | -27.9 | 0 | 0 | 0 | 108 | A40 V310 F316 | A40-P312 HydrophobicContact CB-CG 3.48Å; A40-P312 VanDerWaalsContact CB-CG 3.48Å; V310-P312 WeakPolarHBondContact O-CD 3.16Å; P312-F316 HydrophobicContact CB-CD2 4.11Å | ||
| 313 | F | 52.4 | Low | 54.6 | Low | 96 Ų | 96 | 59 Ų | 59 | 42% | 0.421 | 32% | 0.322 | S | S | . | . | trans | -61.5 | 121.9 | 168.8 | -94.7 | -104.6 | 0 | 0 | 0 | 106.5 | V259 M263 V308 M311 L315 | V259-F313 HydrophobicContact CG1-CB 4.37Å; M263-F313 HydrophobicContact CE-CB 4.3Å; M263-F313 HydrophobicContact CE-CD1 4.34Å; M263-F313 HydrophobicContact CE-CD2 3.07Å; M263-F313 HydrophobicContact CE-CE1 4.48Å; M263-F313 HydrophobicContact CE-CE2 3.26Å; M263-F313 HydrophobicContact CE-CG 3.65Å; M263-F313 HydrophobicContact CE-CZ 3.99Å; M263-F313 HydrophobicContact SD-CB 4.14Å; M263-F313 HydrophobicContact SD-CD1 4.49Å; M263-F313 HydrophobicContact SD-CD2 3.98Å; M263-F313 HydrophobicContact SD-CG 3.94Å; V308-F313 HydrophobicContact CG1-CE2 4.08Å; V308-F313 HydrophobicContact CG1-CZ 4.42Å; M311-F313 HydrophobicContact CB-CD2 4.18Å; M311-F313 HydrophobicContact CB-CE2 4.26Å; M311-F313 PolarHBondContact O-N 2.69Å; F313-L315 WeakPolarHBondContact O-CB 3.35Å; F313-L315 PolarHBondContact O-N 3.46Å | ||
| 314 | P | 40.5 | Very low | 52 | Low | 102 Ų | 102 | 63.9 Ų | 63.9 | 66% | 0.662 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -25.6 | 21.2 | -156.6 | 0.1 | -21.7 | 0 | 0 | 0 | 123.7 | F316 P318 | P314-F316 PolarHBondContact O-N 2.91Å; P314-P318 VanDerWaalsContact O-CD 3.25Å; P314-P318 WeakPolarHBondContact O-CD 3.14Å |
| 315 | L | 42.2 | Very low | 49.6 | Very low | 47 Ų | 47 | 69.4 Ų | 69.4 | 25% | 0.246 | 40% | 0.395 | C | S | . | . | S | Bend | trans | -84.7 | -10 | -171.9 | -85.4 | 161.9 | 0 | 0 | 0 | 113.5 | I255 I256 V259 F313 | I255-L315 HydrophobicContact CG2-CD2 4.24Å; I256-L315 HydrophobicContact CB-CD1 4.45Å; I256-L315 HydrophobicContact CB-CD2 4.36Å; I256-L315 HydrophobicContact CD1-CD2 4.13Å; I256-L315 HydrophobicContact CG1-CD1 3.94Å; I256-L315 HydrophobicContact CG1-CD2 3.23Å; I256-L315 HydrophobicContact CG1-CG 4.16Å; V259-L315 HydrophobicContact CB-CD1 4.07Å; V259-L315 HydrophobicContact CG1-CD1 3.93Å; V259-L315 HydrophobicContact CG2-CD1 4.3Å; F313-L315 WeakPolarHBondContact O-CB 3.35Å; F313-L315 PolarHBondContact O-N 3.46Å |
| 316 | F | 44 | Very low | 48.3 | Very low | 65 Ų | 65 | 72.4 Ų | 72.4 | 29% | 0.285 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -102.9 | -11.2 | 174.8 | -67.9 | -67.8 | 0 | 0 | 0 | 114 | L61 P312 P314 I320 | L61-F316 HydrophobicContact CD1-CD1 4.38Å; L61-F316 HydrophobicContact CD1-CE1 3.68Å; L61-F316 HydrophobicContact CD2-CE1 3.39Å; L61-F316 HydrophobicContact CD2-CZ 3.44Å; L61-F316 VanDerWaalsContact CD2-CZ 3.44Å; L61-F316 HydrophobicContact CG-CE1 4.12Å; P312-F316 HydrophobicContact CB-CD2 4.11Å; P314-F316 PolarHBondContact O-N 2.91Å; F316-I320 WeakPolarHBondContact O-CG1 3.38Å |
| 317 | F | 39.3 | Very low | 46.6 | Very low | 175 Ų | 175 | 75.7 Ų | 75.7 | 77% | 0.768 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -74.2 | -36.4 | -179 | -117.4 | -93.4 | 0 | 0 | 0 | 113.9 | ||
| 318 | P | 34.6 | Very low | 44.7 | Very low | 62 Ų | 62 | 79.8 Ų | 79.8 | 40% | 0.403 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -68.2 | -36.1 | 175 | -20 | 31.9 | 0 | 0 | 0 | 112.9 | P314 I320 A321 | P314-P318 VanDerWaalsContact O-CD 3.25Å; P314-P318 WeakPolarHBondContact O-CD 3.14Å; P318-I320 VanDerWaalsContact C-N 3.3Å; P318-I320 PolarHBondContact O-N 2.89Å; P318-A321 PolarHBondContact O-N 2.97Å |
| 319 | L | 34.9 | Very low | 43.1 | Very low | 106 Ų | 106 | 81.6 Ų | 81.6 | 56% | 0.555 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -74.4 | -15.9 | -177 | -114.2 | 96.5 | 0 | 0 | 0 | 114.8 | ||
| 320 | I | 32.6 | Very low | 41.4 | Very low | 53 Ų | 53 | 82.9 Ų | 82.9 | 27% | 0.272 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -91.4 | -26.4 | 177.1 | -63.7 | 171.9 | 0 | 0 | 0 | 110.8 | V47 F316 P318 V323 | V47-I320 HydrophobicContact CG1-CD1 4.27Å; V47-I320 HydrophobicContact CG1-CG1 4.23Å; V47-I320 HydrophobicContact CG1-CG2 4.09Å; F316-I320 WeakPolarHBondContact O-CG1 3.38Å; P318-I320 VanDerWaalsContact C-N 3.3Å; P318-I320 PolarHBondContact O-N 2.89Å; I320-V323 PolarHBondContact O-N 2.88Å |
| 321 | A | 32.9 | Very low | 39.4 | Very low | 60 Ų | 60 | 88.3 Ų | 88.3 | 50% | 0.496 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.7 | -34.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | P318 V323 T324 | P318-A321 PolarHBondContact O-N 2.97Å; A321-V323 VanDerWaalsContact C-N 3.3Å; A321-V323 PolarHBondContact O-N 2.93Å; A321-T324 PolarHBondContact O-N 2.95Å; A321-T324 PolarHBondContact O-OG1 3.38Å; A321-T324 VanDerWaalsContact O-OG1 3.1Å |
| 322 | D | 32.9 | Very low | 37.5 | Very low | 124 Ų | 124 | 91.1 Ų | 91.1 | 66% | 0.663 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -7.5 | -180 | -76 | -21.3 | 0 | 0 | 0 | 114.8 | ||
| 323 | V | 31.6 | Very low | 36.3 | Very low | 77 Ų | 77 | 95.1 Ų | 95.1 | 47% | 0.467 | 54% | 0.541 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | 5.1 | 176.4 | -172.5 | 0 | 0 | 0 | 0 | 111.9 | M53 I320 A321 | M53-V323 HydrophobicContact CE-CG1 4.5Å; M53-V323 HydrophobicContact CE-CG2 4.2Å; M53-V323 HydrophobicContact SD-CG1 3.83Å; M53-V323 HydrophobicContact SD-CG2 4.28Å; I320-V323 PolarHBondContact O-N 2.88Å; A321-V323 VanDerWaalsContact C-N 3.3Å; A321-V323 PolarHBondContact O-N 2.93Å |
| 324 | T | 28.8 | Very low | 35 | Very low | 103 Ų | 103 | 95 Ų | 95 | 63% | 0.632 | 55% | 0.551 | S | S | * | * | trans | -113.1 | 10 | 173.2 | 43.7 | 0 | 0 | 0 | 0 | 114.4 | A321 | A321-T324 PolarHBondContact O-N 2.95Å; A321-T324 PolarHBondContact O-OG1 3.38Å; A321-T324 VanDerWaalsContact O-OG1 3.1Å | ||
| 325 | S | 25.6 | Very low | 34.5 | Very low | 166 Ų | 166 | 94.4 Ų | 94.4 | 100% | 1.161 | 54% | 0.541 | S | S | * | . | trans | -79.4 | 0 | 164.4 | 68.5 | 0 | 0 | 0 | 0 | 112 |
Retrieved 325 of 325 residues in 140 ms
(Link to these results)