| 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 | 22.5 | Very low | 44.3 | Very low | 145 Ų | 145 | 28.9 Ų | 28.9 | 71% | 0.714 | 14% | 0.143 | S | C | * | . | 0 | 99.6 | 0 | -172.7 | 176.8 | 176 | 0 | 0 | 105.1 | P284 | M1-P284 HydrophobicContact CG-CB 3.92Å; M1-P284 HydrophobicContact CG-CG 4.48Å | |||
| 2 | F | 28.3 | Very low | 47.6 | Very low | 86 Ų | 86 | 27.5 Ų | 27.5 | 38% | 0.377 | 14% | 0.141 | S | C | . | . | trans | -112.3 | 157.2 | -167.7 | -54.5 | -76.3 | 0 | 0 | 0 | 109.4 | L290 A294 | F2-L290 HydrophobicContact CB-CB 4.44Å; F2-L290 HydrophobicContact CB-CD1 3.85Å; F2-L290 HydrophobicContact CD2-CB 4.2Å; F2-L290 HydrophobicContact CG-CB 4.27Å; F2-A294 HydrophobicContact CE1-CB 4.14Å; F2-A294 HydrophobicContact CZ-CB 4.03Å | ||
| 3 | M | 31.6 | Very low | 50.8 | Low | 26 Ų | 26 | 27.8 Ų | 27.8 | 13% | 0.128 | 14% | 0.141 | C | C | . | . | trans | -63.4 | -102.7 | -139.4 | 169.2 | -162.1 | -47.2 | 0 | 0 | 117.3 | R5 D31 L276 P281 V285 | M3-R5 HydrophobicContact CG-CG 3.99Å; M3-R5 HydrophobicContact SD-CG 4.46Å; M3-R5 PolarHBondContact SD-NE 3.07Å; M3-R5 VanDerWaalsContact SD-NE 3.37Å; M3-D31 VanDerWaalsContact CA-OD2 3.27Å; M3-D31 WeakPolarHBondContact CA-OD2 3.41Å; M3-D31 VanDerWaalsContact N-CG 3.34Å; M3-D31 PolarHBondContact N-OD1 3.33Å; M3-D31 PolarHBondContact N-OD2 3.49Å; M3-L276 HydrophobicContact CG-CD1 4.15Å; M3-L276 HydrophobicContact SD-CB 3.63Å; M3-L276 HydrophobicContact SD-CD1 3.8Å; M3-L276 HydrophobicContact SD-CD2 4.25Å; M3-L276 HydrophobicContact SD-CG 4.11Å; M3-P281 HydrophobicContact CE-CG 4.07Å; M3-P281 HydrophobicContact CG-CG 4.21Å; M3-V285 PolarHBondContact O-N 3.1Å | ||
| 4 | L | 37.4 | Very low | 53.6 | Low | 2 Ų | 2 | 26.1 Ų | 26.1 | 1% | 0.01 | 13% | 0.134 | C | C | . | . | cis | -87.4 | 152 | 5.8 | -118.1 | 70.7 | 0 | 0 | 0 | 113.8 | D31 F243 A263 V285 F287 L290 | L4-D31 HydrophobicContact CD1-CB 4.06Å; L4-D31 HydrophobicContact CG-CB 3.81Å; L4-F243 HydrophobicContact CD2-CE1 4Å; L4-F243 HydrophobicContact CD2-CZ 3.76Å; L4-A263 HydrophobicContact CB-CB 3.92Å; L4-V285 HydrophobicContact CB-CB 4.45Å; L4-V285 HydrophobicContact CD1-CB 4.13Å; L4-V285 HydrophobicContact CD1-CG1 4.01Å; L4-F287 HydrophobicContact CD1-CB 4.09Å; L4-F287 HydrophobicContact CD1-CD2 3.62Å; L4-F287 HydrophobicContact CD1-CE2 4.3Å; L4-F287 HydrophobicContact CD1-CG 4.12Å; L4-F287 HydrophobicContact CD2-CD2 3.6Å; L4-F287 HydrophobicContact CD2-CE2 3.37Å; L4-F287 HydrophobicContact CD2-CG 4.5Å; L4-F287 HydrophobicContact CD2-CZ 4.12Å; L4-F287 HydrophobicContact CG-CD2 4.26Å; L4-F287 HydrophobicContact CG-CE2 4.48Å; L4-L290 HydrophobicContact CD1-CD1 4.45Å | ||
| 5 | R | 42.8 | Very low | 56.2 | Low | 23 Ų | 23 | 24.5 Ų | 24.5 | 9% | 0.087 | 13% | 0.126 | C | C | . | . | trans | -130.3 | 124.2 | 166.2 | -50.1 | -179 | -175.8 | 168.5 | -17.7 | 109.2 | M3 Y7 N28 G29 D31 M32 L272 A273 L276 | M3-R5 HydrophobicContact CG-CG 3.99Å; M3-R5 HydrophobicContact SD-CG 4.46Å; M3-R5 PolarHBondContact SD-NE 3.07Å; M3-R5 VanDerWaalsContact SD-NE 3.37Å; R5-Y7 HydrophobicContact CB-CE1 4.46Å; R5-Y7 HydrophobicContact CB-CE2 3.43Å; R5-Y7 VanDerWaalsContact CB-CE2 3.43Å; R5-Y7 VanDerWaalsContact CB-CZ 3.48Å; R5-Y7 VanDerWaalsContact CB-OH 3.28Å; R5-Y7 WeakPolarHBondContact CB-OH 3.31Å; R5-Y7 WeakPolarHBondContact CD-OH 3.22Å; R5-Y7 WeakPolarHBondContact O-CE2 3.37Å; R5-N28 PolarHBondContact NH1-O 2.92Å; R5-G29 PolarHBondContact NH1-O 3.29Å; R5-D31 WeakPolarHBondContact CG-OD2 3.44Å; R5-D31 PolarHBondContact N-OD2 3Å; R5-D31 PolarHBondContact O-N 3.23Å; R5-M32 PolarHBondContact O-N 3Å; R5-L272 HydrophobicContact CB-CD2 4.46Å; R5-A273 VanDerWaalsContact NH1-CB 3.33Å; R5-A273 PolarHBondContact NH2-O 3.36Å; R5-A273 VanDerWaalsContact NH2-O 3.15Å; R5-L276 HydrophobicContact CG-CD1 3.53Å | ||
| 6 | D | 41.6 | Very low | 58.3 | Low | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.125 | C | C | . | . | B | Isolated β-bridge | trans | -111.8 | 153.2 | 178.7 | -163.7 | 3.8 | 0 | 0 | 0 | 108.8 | M32 F243 A263 V264 M265 | D6-M32 HydrophobicContact CB-CE 4.25Å; D6-M32 WeakPolarHBondContact OD1-CE 3.3Å; D6-M32 WeakPolarHBondContact OD2-CE 3.34Å; D6-F243 WeakPolarHBondContact OD2-CD2 3.49Å; D6-A263 HydrophobicContact CB-CB 4.07Å; D6-V264 CarbonylContact C-O 3.59Å; D6-V264 PolarHBondContact N-O 3.09Å; D6-M265 HydrophobicContact CB-CG 3.94Å; D6-M265 WeakPolarHBondContact O-CA 3.34Å; D6-M265 WeakPolarHBondContact OD2-CE 3.48Å; D6-M265 VanDerWaalsContact OD2-CG 3.3Å; D6-M265 WeakPolarHBondContact OD2-CG 3.23Å |
| 7 | Y | 51.4 | Low | 60.3 | Low | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.119 | C | C | . | . | trans | -147.7 | 124.5 | -173.5 | -55 | -84.3 | 0 | 0 | 0 | 109.8 | R5 V9 A30 M32 E34 T266 P269 L272 | R5-Y7 HydrophobicContact CB-CE1 4.46Å; R5-Y7 HydrophobicContact CB-CE2 3.43Å; R5-Y7 VanDerWaalsContact CB-CE2 3.43Å; R5-Y7 VanDerWaalsContact CB-CZ 3.48Å; R5-Y7 VanDerWaalsContact CB-OH 3.28Å; R5-Y7 WeakPolarHBondContact CB-OH 3.31Å; R5-Y7 WeakPolarHBondContact CD-OH 3.22Å; R5-Y7 WeakPolarHBondContact O-CE2 3.37Å; Y7-V9 PolarHBondContact O-N 2.83Å; Y7-A30 HydrophobicContact CD2-CB 3.46Å; Y7-A30 VanDerWaalsContact CD2-CB 3.46Å; Y7-A30 VanDerWaalsContact CE2-CA 3.47Å; Y7-A30 HydrophobicContact CE2-CB 3.18Å; Y7-M32 WeakPolarHBondContact CD2-O 3.4Å; Y7-E34 PolarHBondContact O-N 3.07Å; Y7-T266 HydrophobicContact CD1-CG2 3.49Å; Y7-T266 VanDerWaalsContact CD1-CG2 3.49Å; Y7-T266 HydrophobicContact CE1-CG2 3.8Å; Y7-P269 VanDerWaalsContact CD1-CA 3.42Å; Y7-P269 HydrophobicContact CD1-CB 3.4Å; Y7-P269 VanDerWaalsContact CD1-CB 3.4Å; Y7-P269 HydrophobicContact CD1-CG 4.23Å; Y7-P269 HydrophobicContact CE1-CB 3.49Å; Y7-P269 VanDerWaalsContact CE1-CB 3.49Å; Y7-P269 HydrophobicContact CG-CB 4.12Å; Y7-L272 HydrophobicContact CE1-CB 4.34Å; Y7-L272 HydrophobicContact CE1-CD2 3.98Å | ||
| 8 | T | 51.9 | Low | 62 | Low | 24 Ų | 24 | 22.2 Ų | 22.2 | 15% | 0.147 | 11% | 0.113 | C | C | . | . | B | Isolated β-bridge | trans | -56.1 | 131.3 | 151.2 | 36.2 | 0 | 0 | 0 | 0 | 106.4 | G10 V246 T266 D267 | T8-G10 VanDerWaalsContact C-N 3.27Å; T8-G10 PolarHBondContact O-N 2.74Å; T8-V246 HydrophobicContact CG2-CG2 4.32Å; T8-T266 PolarHBondContact OG1-O 3.42Å; T8-T266 VanDerWaalsContact OG1-O 3.11Å; T8-D267 PolarHBondContact OG1-N 2.95Å; T8-D267 PolarHBondContact OG1-OD1 2.82Å |
| 9 | V | 58 | Low | 63.5 | Low | 4 Ų | 4 | 23 Ų | 23 | 2% | 0.024 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -68.3 | 85.8 | -171.7 | 164.9 | 0 | 0 | 0 | 0 | 110.2 | Y7 E16 N17 A21 V22 V33 E34 L35 | Y7-V9 PolarHBondContact O-N 2.83Å; V9-E16 CarbonylContact O-C 3.55Å; V9-E16 WeakPolarHBondContact O-CA 3.42Å; V9-N17 PolarHBondContact O-N 3.5Å; V9-N17 VanDerWaalsContact O-N 3.1Å; V9-A21 HydrophobicContact CG1-CB 3.37Å; V9-V22 HydrophobicContact CG1-CG2 3.66Å; V9-V22 HydrophobicContact CG2-CG2 4Å; V9-V33 HydrophobicContact CG2-CB 4.06Å; V9-V33 HydrophobicContact CG2-CG1 4.48Å; V9-E34 WeakPolarHBondContact CG2-O 3.45Å; V9-L35 HydrophobicContact CB-CD2 4.49Å; V9-L35 HydrophobicContact CG2-CD2 3.76Å |
| 10 | G | 54.3 | Low | 64.8 | Low | 2 Ų | 2 | 24.3 Ų | 24.3 | 2% | 0.021 | 13% | 0.125 | C | C | . | . | trans | 61.4 | 53.6 | 167.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | T8 G12 A14 | T8-G10 VanDerWaalsContact C-N 3.27Å; T8-G10 PolarHBondContact O-N 2.74Å; G10-G12 VanDerWaalsContact C-N 3.34Å; G10-A14 CarbonylContact O-C 3.46Å; G10-A14 VanDerWaalsContact O-C 3.25Å | ||
| 11 | G | 67.1 | Low | 66 | Low | 6 Ų | 6 | 23.1 Ų | 23.1 | 6% | 0.062 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -35.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | K87 S88 | G11-K87 CarbonylContact O-C 3.57Å; G11-K87 VanDerWaalsContact O-C 3.3Å; G11-S88 PolarHBondContact O-N 3.35Å |
| 12 | G | 84.8 | Confident | 69.1 | Low | 12 Ų | 12 | 16.2 Ų | 16.2 | 12% | 0.124 | 9% | 0.085 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.9 | -19.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | G10 D267 | G10-G12 VanDerWaalsContact C-N 3.34Å; G12-D267 PolarHBondContact N-O 2.7Å |
| 13 | E | 88.4 | Confident | 71.8 | Confident | 31 Ų | 31 | 14.3 Ų | 14.3 | 15% | 0.145 | 8% | 0.079 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.5 | -6.2 | -172.8 | -69.5 | -175 | -163.9 | 0 | 0 | 115.3 | R24 Y268 P269 T270 | E13-R24 PolarHBondContact O-NE 3.45Å; E13-Y268 HydrophobicContact CG-CD1 4Å; E13-Y268 WeakPolarHBondContact OE1-CA 3.48Å; E13-P269 HydrophobicContact CB-CG 4.34Å; E13-P269 VanDerWaalsContact CD-CD 3.48Å; E13-P269 VanDerWaalsContact OE1-N 3.16Å; E13-P269 WeakPolarHBondContact OE2-CG 3.4Å; E13-T270 VanDerWaalsContact CD-OG1 3.32Å; E13-T270 VanDerWaalsContact OE1-CB 3.27Å; E13-T270 WeakPolarHBondContact OE1-CB 3.3Å; E13-T270 PolarHBondContact OE1-N 3.23Å; E13-T270 PolarHBondContact OE1-OG1 2.94Å; E13-T270 WeakPolarHBondContact OE2-CB 3.48Å; E13-T270 PolarHBondContact OE2-N 2.84Å; E13-T270 VanDerWaalsContact OE2-N 3.07Å; E13-T270 PolarHBondContact OE2-OG1 3.35Å |
| 14 | A | 90.7 | Very high | 74.4 | Confident | 4 Ų | 4 | 18.1 Ų | 18.1 | 3% | 0.033 | 9% | 0.092 | C | C | . | . | S | Bend | trans | -156.2 | -167.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | G10 A21 S88 | G10-A14 CarbonylContact O-C 3.46Å; G10-A14 VanDerWaalsContact O-C 3.25Å; A14-A21 HydrophobicContact CB-CB 3.48Å; A14-A21 VanDerWaalsContact CB-CB 3.48Å; A14-S88 VanDerWaalsContact O-CA 3.28Å; A14-S88 WeakPolarHBondContact O-CA 3.41Å; A14-S88 WeakPolarHBondContact O-CB 3.37Å |
| 15 | H | 91.8 | Very high | 76.5 | Confident | 3 Ų | 3 | 18 Ų | 18 | 1% | 0.014 | 9% | 0.091 | C | C | . | . | trans | -85.8 | 134.6 | 166.1 | -80.1 | 63.2 | 0 | 0 | 0 | 109.4 | T18 A21 K75 K76 S88 P89 | H15-T18 HydrophobicContact CB-CG2 3.69Å; H15-T18 WeakPolarHBondContact O-CG2 3.36Å; H15-T18 PolarHBondContact O-N 3.26Å; H15-T18 PolarHBondContact O-OG1 2.96Å; H15-A21 VanDerWaalsContact O-CB 3.29Å; H15-A21 WeakPolarHBondContact O-CB 3.13Å; H15-K75 PolarHBondContact CD2-O 3.12Å; H15-K75 PolarHBondContact NE2-O 3.36Å; H15-K76 PolarHBondContact CE1-O 2.93Å; H15-K76 VanDerWaalsContact NE2-C 3.33Å; H15-K76 PolarHBondContact NE2-O 3.36Å; H15-K76 VanDerWaalsContact NE2-O 3.16Å; H15-S88 PolarHBondContact CE1-OG 2.85Å; H15-S88 VanDerWaalsContact CE1-OG 3.26Å; H15-S88 PolarHBondContact NE2-OG 3.23Å; H15-P89 PolarHBondContact CE1-O 3.14Å | ||
| 16 | E | 90.9 | Very high | 78.4 | Confident | 23 Ų | 23 | 17.1 Ų | 17.1 | 11% | 0.107 | 9% | 0.088 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | 145.4 | -175.3 | 63.9 | 178.5 | -113.1 | 0 | 0 | 112.8 | V9 T18 R55 V78 | V9-E16 CarbonylContact O-C 3.55Å; V9-E16 WeakPolarHBondContact O-CA 3.42Å; E16-T18 PolarHBondContact O-N 2.67Å; E16-R55 IonicContact OE1-CZ 2.7Å; E16-R55 IonicContact OE1-NH1 3.11Å; E16-R55 PolarHBondContact OE1-NH1 2.7Å; E16-R55 IonicContact OE1-NH2 3.5Å; E16-R55 PolarHBondContact OE1-NH2 2.8Å; E16-R55 IonicContact OE2-CZ 2.89Å; E16-R55 IonicContact OE2-NH1 3.81Å; E16-R55 PolarHBondContact OE2-NH1 3.27Å; E16-R55 IonicContact OE2-NH2 3.63Å; E16-V78 HydrophobicContact CG-CG1 4.18Å; E16-V78 WeakPolarHBondContact OE2-CG1 3.49Å |
| 17 | N | 91.4 | Very high | 80.3 | Confident | 7 Ų | 7 | 19 Ų | 19 | 4% | 0.037 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.2 | 23.2 | 176.8 | -75.6 | -61.1 | 0 | 0 | 0 | 115.6 | V9 D36 V47 H49 P100 | V9-N17 PolarHBondContact O-N 3.5Å; V9-N17 VanDerWaalsContact O-N 3.1Å; N17-D36 PolarHBondContact ND2-OD2 3Å; N17-D36 PolarHBondContact OD1-N 3.45Å; N17-D36 PolarHBondContact OD1-OD2 3.32Å; N17-V47 HydrophobicContact CB-CB 4.47Å; N17-V47 HydrophobicContact CB-CG1 3.76Å; N17-V47 WeakPolarHBondContact OD1-CG1 3.32Å; N17-H49 PolarHBondContact ND2-N 3.01Å; N17-P100 WeakPolarHBondContact O-CD 3.33Å; N17-P100 WeakPolarHBondContact O-CG 3.37Å |
| 18 | T | 91.7 | Very high | 81.5 | Confident | 1 Ų | 1 | 21.4 Ų | 21.4 | 1% | 0.006 | 11% | 0.114 | C | C | . | . | trans | -97.5 | 149.1 | 176.6 | 62.2 | 0 | 0 | 0 | 0 | 113 | H15 E16 N20 A21 V22 M74 E96 | H15-T18 HydrophobicContact CB-CG2 3.69Å; H15-T18 WeakPolarHBondContact O-CG2 3.36Å; H15-T18 PolarHBondContact O-N 3.26Å; H15-T18 PolarHBondContact O-OG1 2.96Å; E16-T18 PolarHBondContact O-N 2.67Å; T18-N20 PolarHBondContact O-N 3.36Å; T18-A21 WeakPolarHBondContact O-CA 3.27Å; T18-A21 WeakPolarHBondContact O-CB 3.33Å; T18-A21 PolarHBondContact O-N 2.97Å; T18-A21 WeakPolarHBondContact OG1-CB 3.2Å; T18-A21 PolarHBondContact OG1-N 3.43Å; T18-V22 WeakPolarHBondContact O-CG2 3.23Å; T18-V22 PolarHBondContact O-N 2.99Å; T18-M74 HydrophobicContact CG2-CE 3.31Å; T18-E96 WeakPolarHBondContact CG2-O 3.36Å | ||
| 19 | L | 90.3 | Very high | 82.6 | Confident | 38 Ų | 38 | 21.7 Ų | 21.7 | 20% | 0.199 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -53.8 | -39.6 | 174.2 | 178.1 | 61.8 | 0 | 0 | 0 | 112 | A21 V22 L23 P100 I105 | L19-A21 PolarHBondContact O-N 2.91Å; L19-V22 PolarHBondContact O-N 2.91Å; L19-L23 HydrophobicContact CD1-CD1 4.24Å; L19-L23 HydrophobicContact CD1-CG 4.12Å; L19-L23 HydrophobicContact CG-CD1 4Å; L19-L23 HydrophobicContact CG-CG 4.33Å; L19-L23 WeakPolarHBondContact O-CB 3.49Å; L19-L23 VanDerWaalsContact O-CG 3.28Å; L19-L23 WeakPolarHBondContact O-CG 3.3Å; L19-L23 PolarHBondContact O-N 3.13Å; L19-P100 HydrophobicContact CB-CB 4.36Å; L19-I105 HydrophobicContact CD1-CG1 3.82Å |
| 20 | N | 89.2 | Confident | 83.6 | Confident | 48 Ų | 48 | 21.6 Ų | 21.6 | 26% | 0.257 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -58.2 | -44.9 | 173.6 | 173.6 | 54.1 | 0 | 0 | 0 | 112.2 | T18 L23 R24 E96 | T18-N20 PolarHBondContact O-N 3.36Å; N20-L23 PolarHBondContact O-N 3.31Å; N20-R24 WeakPolarHBondContact O-CB 3.16Å; N20-R24 WeakPolarHBondContact O-CG 3.33Å; N20-R24 PolarHBondContact O-N 2.99Å; N20-E96 HydrophobicContact CB-CG 4.1Å |
| 21 | A | 89.6 | Confident | 84.8 | Confident | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.008 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -63.2 | -42 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | V9 A14 H15 T18 L19 R24 S25 | V9-A21 HydrophobicContact CG1-CB 3.37Å; A14-A21 HydrophobicContact CB-CB 3.48Å; A14-A21 VanDerWaalsContact CB-CB 3.48Å; H15-A21 VanDerWaalsContact O-CB 3.29Å; H15-A21 WeakPolarHBondContact O-CB 3.13Å; T18-A21 WeakPolarHBondContact O-CA 3.27Å; T18-A21 WeakPolarHBondContact O-CB 3.33Å; T18-A21 PolarHBondContact O-N 2.97Å; T18-A21 WeakPolarHBondContact OG1-CB 3.2Å; T18-A21 PolarHBondContact OG1-N 3.43Å; L19-A21 PolarHBondContact O-N 2.91Å; A21-R24 PolarHBondContact O-N 3.43Å; A21-S25 PolarHBondContact O-N 2.98Å; A21-S25 PolarHBondContact O-OG 3.45Å |
| 22 | V | 87.6 | Confident | 85.8 | Confident | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -62.5 | -46.9 | 176.5 | -158.9 | 0 | 0 | 0 | 0 | 111.3 | V9 T18 L19 R24 S25 A26 V33 L35 I105 L109 | V9-V22 HydrophobicContact CG1-CG2 3.66Å; V9-V22 HydrophobicContact CG2-CG2 4Å; T18-V22 WeakPolarHBondContact O-CG2 3.23Å; T18-V22 PolarHBondContact O-N 2.99Å; L19-V22 PolarHBondContact O-N 2.91Å; V22-R24 VanDerWaalsContact C-N 3.32Å; V22-R24 PolarHBondContact O-N 2.94Å; V22-S25 PolarHBondContact O-N 3.43Å; V22-A26 PolarHBondContact O-N 3.35Å; V22-V33 HydrophobicContact CG1-CB 4.12Å; V22-V33 HydrophobicContact CG1-CG1 4Å; V22-V33 HydrophobicContact CG1-CG2 3.68Å; V22-L35 HydrophobicContact CG2-CD2 3.95Å; V22-I105 HydrophobicContact CG1-CG2 4.16Å; V22-I105 HydrophobicContact CG2-CD1 4.01Å; V22-I105 HydrophobicContact CG2-CG1 4.18Å; V22-I105 HydrophobicContact CG2-CG2 4.36Å; V22-L109 HydrophobicContact CB-CD1 3.99Å; V22-L109 HydrophobicContact CG1-CD1 3.34Å |
| 23 | L | 86 | Confident | 86.1 | Confident | 46 Ų | 46 | 21.1 Ų | 21.1 | 24% | 0.241 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -62.3 | -38.3 | 177.8 | -68.9 | 174.2 | 0 | 0 | 0 | 111.9 | L19 N20 A26 C27 L109 | L19-L23 HydrophobicContact CD1-CD1 4.24Å; L19-L23 HydrophobicContact CD1-CG 4.12Å; L19-L23 HydrophobicContact CG-CD1 4Å; L19-L23 HydrophobicContact CG-CG 4.33Å; L19-L23 WeakPolarHBondContact O-CB 3.49Å; L19-L23 VanDerWaalsContact O-CG 3.28Å; L19-L23 WeakPolarHBondContact O-CG 3.3Å; L19-L23 PolarHBondContact O-N 3.13Å; N20-L23 PolarHBondContact O-N 3.31Å; L23-A26 PolarHBondContact O-N 2.97Å; L23-C27 WeakPolarHBondContact O-CB 3.26Å; L23-C27 PolarHBondContact O-N 3.45Å; L23-C27 PolarHBondContact O-SG 2.66Å; L23-C27 VanDerWaalsContact O-SG 3.36Å; L23-L109 HydrophobicContact CD2-CD1 4.17Å; L23-L109 HydrophobicContact CD2-CD2 4.05Å; L23-L109 HydrophobicContact CD2-CG 4.07Å |
| 24 | R | 85.1 | Confident | 86.3 | Confident | 106 Ų | 106 | 20.4 Ų | 20.4 | 40% | 0.4 | 11% | 0.11 | S | C | . | . | H | α-helix | trans | -65 | -45.4 | 175.4 | -75.1 | 174.7 | 67.4 | 69.8 | 7.6 | 111.9 | E13 N20 A21 V22 A26 C27 N28 | E13-R24 PolarHBondContact O-NE 3.45Å; N20-R24 WeakPolarHBondContact O-CB 3.16Å; N20-R24 WeakPolarHBondContact O-CG 3.33Å; N20-R24 PolarHBondContact O-N 2.99Å; A21-R24 PolarHBondContact O-N 3.43Å; V22-R24 VanDerWaalsContact C-N 3.32Å; V22-R24 PolarHBondContact O-N 2.94Å; R24-A26 PolarHBondContact O-N 3.32Å; R24-C27 PolarHBondContact O-N 3.07Å; R24-N28 WeakPolarHBondContact O-CB 3.36Å; R24-N28 VanDerWaalsContact O-CG 3.27Å; R24-N28 PolarHBondContact O-N 2.63Å; R24-N28 PolarHBondContact O-ND2 3.34Å |
| 25 | S | 82.9 | Confident | 86.4 | Confident | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -57.7 | -48.5 | 173.1 | -63.9 | 0 | 0 | 0 | 0 | 111.1 | A21 V22 C27 N28 G29 A30 | A21-S25 PolarHBondContact O-N 2.98Å; A21-S25 PolarHBondContact O-OG 3.45Å; V22-S25 PolarHBondContact O-N 3.43Å; S25-C27 PolarHBondContact O-N 2.94Å; S25-N28 PolarHBondContact O-N 2.99Å; S25-G29 PolarHBondContact O-N 3.22Å; S25-A30 VanDerWaalsContact C-CB 3.48Å; S25-A30 WeakPolarHBondContact O-CB 3.48Å; S25-A30 PolarHBondContact O-N 2.85Å; S25-A30 VanDerWaalsContact O-N 3.08Å |
| 26 | A | 82.4 | Confident | 86.6 | Confident | 3 Ų | 3 | 20.4 Ų | 20.4 | 3% | 0.025 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -56.5 | -49.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | V22 L23 R24 N28 G29 L109 L112 | V22-A26 PolarHBondContact O-N 3.35Å; L23-A26 PolarHBondContact O-N 2.97Å; R24-A26 PolarHBondContact O-N 3.32Å; A26-N28 VanDerWaalsContact C-N 3.3Å; A26-N28 PolarHBondContact O-N 2.95Å; A26-G29 PolarHBondContact O-N 3.05Å; A26-L109 HydrophobicContact CB-CD1 4.42Å; A26-L109 HydrophobicContact CB-CD2 3.91Å; A26-L112 HydrophobicContact CB-CD2 3.86Å |
| 27 | C | 81.2 | Confident | 86.9 | Confident | 40 Ų | 40 | 19.3 Ų | 19.3 | 27% | 0.27 | 11% | 0.105 | S | C | . | . | H | α-helix | trans | -63 | -33 | 178.4 | -76.3 | 0 | 0 | 0 | 0 | 113.5 | L23 R24 S25 G29 | L23-C27 WeakPolarHBondContact O-CB 3.26Å; L23-C27 PolarHBondContact O-N 3.45Å; L23-C27 PolarHBondContact O-SG 2.66Å; L23-C27 VanDerWaalsContact O-SG 3.36Å; R24-C27 PolarHBondContact O-N 3.07Å; S25-C27 PolarHBondContact O-N 2.94Å; C27-G29 PolarHBondContact O-N 3.43Å |
| 28 | N | 76.6 | Confident | 87.2 | Confident | 51 Ų | 51 | 19.3 Ų | 19.3 | 27% | 0.273 | 10% | 0.104 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74 | 4.5 | 174.4 | -73.9 | -15 | 0 | 0 | 0 | 113.6 | R5 R24 S25 A26 T270 | R5-N28 PolarHBondContact NH1-O 2.92Å; R24-N28 WeakPolarHBondContact O-CB 3.36Å; R24-N28 VanDerWaalsContact O-CG 3.27Å; R24-N28 PolarHBondContact O-N 2.63Å; R24-N28 PolarHBondContact O-ND2 3.34Å; S25-N28 PolarHBondContact O-N 2.99Å; A26-N28 VanDerWaalsContact C-N 3.3Å; A26-N28 PolarHBondContact O-N 2.95Å; N28-T270 PolarHBondContact ND2-OG1 3.05Å |
| 29 | G | 75.4 | Confident | 87.5 | Confident | 29 Ų | 29 | 20 Ų | 20 | 30% | 0.299 | 11% | 0.108 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.8 | 47.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | R5 S25 A26 C27 | R5-G29 PolarHBondContact NH1-O 3.29Å; S25-G29 PolarHBondContact O-N 3.22Å; A26-G29 PolarHBondContact O-N 3.05Å; C27-G29 PolarHBondContact O-N 3.43Å |
| 30 | A | 78.7 | Confident | 87.9 | Confident | 2 Ų | 2 | 18.4 Ų | 18.4 | 2% | 0.017 | 10% | 0.1 | C | C | . | . | trans | -74.2 | 143.5 | 167.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y7 S25 V33 L112 | Y7-A30 HydrophobicContact CD2-CB 3.46Å; Y7-A30 VanDerWaalsContact CD2-CB 3.46Å; Y7-A30 VanDerWaalsContact CE2-CA 3.47Å; Y7-A30 HydrophobicContact CE2-CB 3.18Å; S25-A30 VanDerWaalsContact C-CB 3.48Å; S25-A30 WeakPolarHBondContact O-CB 3.48Å; S25-A30 PolarHBondContact O-N 2.85Å; S25-A30 VanDerWaalsContact O-N 3.08Å; A30-V33 HydrophobicContact CB-CG1 4.5Å; A30-L112 WeakPolarHBondContact O-CD1 3.36Å | ||
| 31 | D | 79.7 | Confident | 88.3 | Confident | 11 Ų | 11 | 19 Ų | 19 | 6% | 0.059 | 11% | 0.112 | C | C | . | . | S | Bend | trans | -100.1 | -22.6 | 173.5 | -54.3 | -91.4 | 0 | 0 | 0 | 111.7 | M3 L4 R5 P113 | M3-D31 VanDerWaalsContact CA-OD2 3.27Å; M3-D31 WeakPolarHBondContact CA-OD2 3.41Å; M3-D31 VanDerWaalsContact N-CG 3.34Å; M3-D31 PolarHBondContact N-OD1 3.33Å; M3-D31 PolarHBondContact N-OD2 3.49Å; L4-D31 HydrophobicContact CD1-CB 4.06Å; L4-D31 HydrophobicContact CG-CB 3.81Å; R5-D31 WeakPolarHBondContact CG-OD2 3.44Å; R5-D31 PolarHBondContact N-OD2 3Å; R5-D31 PolarHBondContact O-N 3.23Å; D31-P113 WeakPolarHBondContact O-CB 3.38Å; D31-P113 WeakPolarHBondContact O-CD 3.45Å; D31-P113 VanDerWaalsContact O-CG 3.27Å; D31-P113 WeakPolarHBondContact O-CG 3.45Å |
| 32 | M | 88.2 | Confident | 88.7 | Confident | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 13% | 0.131 | C | C | . | . | trans | -149.9 | 158.5 | 171.4 | -161.4 | 171.2 | 72.2 | 0 | 0 | 110.2 | R5 D6 Y7 P113 N115 V143 F243 F287 | R5-M32 PolarHBondContact O-N 3Å; D6-M32 HydrophobicContact CB-CE 4.25Å; D6-M32 WeakPolarHBondContact OD1-CE 3.3Å; D6-M32 WeakPolarHBondContact OD2-CE 3.34Å; Y7-M32 WeakPolarHBondContact CD2-O 3.4Å; M32-P113 WeakPolarHBondContact CA-O 3.31Å; M32-P113 HydrophobicContact CB-CB 4.17Å; M32-P113 HydrophobicContact CG-CB 3.81Å; M32-P113 WeakPolarHBondContact CG-O 3.44Å; M32-P113 HydrophobicContact SD-CB 4.39Å; M32-N115 HydrophobicContact CE-CB 3.56Å; M32-N115 HydrophobicContact SD-CB 4.02Å; M32-V143 HydrophobicContact SD-CG2 4.19Å; M32-F243 HydrophobicContact CE-CD2 4.06Å; M32-F243 HydrophobicContact CE-CE2 3.32Å; M32-F243 HydrophobicContact CE-CZ 3.99Å; M32-F243 HydrophobicContact SD-CE2 4.36Å; M32-F287 HydrophobicContact SD-CZ 4.2Å | ||
| 33 | V | 90.1 | Very high | 89.2 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 139.9 | 171.1 | -71.7 | 0 | 0 | 0 | 0 | 109.6 | V9 V22 A30 L112 P113 I114 N115 | V9-V33 HydrophobicContact CG2-CB 4.06Å; V9-V33 HydrophobicContact CG2-CG1 4.48Å; V22-V33 HydrophobicContact CG1-CB 4.12Å; V22-V33 HydrophobicContact CG1-CG1 4Å; V22-V33 HydrophobicContact CG1-CG2 3.68Å; A30-V33 HydrophobicContact CB-CG1 4.5Å; V33-L112 HydrophobicContact CG1-CD2 3.89Å; V33-L112 HydrophobicContact CG2-CD2 3.91Å; V33-P113 PolarHBondContact N-O 3.46Å; V33-I114 HydrophobicContact CG2-CG1 3.84Å; V33-I114 CarbonylContact O-C 3.54Å; V33-I114 WeakPolarHBondContact O-CA 3.35Å; V33-N115 PolarHBondContact O-N 3.31Å |
| 34 | E | 92.3 | Very high | 89.8 | Confident | 16 Ų | 16 | 25.6 Ų | 25.6 | 8% | 0.075 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 137.8 | 175.2 | -172.4 | -72.3 | 128.1 | 0 | 0 | 109.5 | Y7 V9 N115 M265 | Y7-E34 PolarHBondContact O-N 3.07Å; V9-E34 WeakPolarHBondContact CG2-O 3.45Å; E34-N115 CarbonylContact C-O 3.59Å; E34-N115 WeakPolarHBondContact CA-O 3.49Å; E34-N115 HydrophobicContact CB-CB 4.46Å; E34-M265 HydrophobicContact CB-CE 4.5Å; E34-M265 HydrophobicContact CG-CE 4.15Å |
| 35 | L | 93.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 124.8 | -176.8 | -65.8 | 179 | 0 | 0 | 0 | 111.9 | V9 V22 V47 L102 I105 I114 N115 I116 D117 | V9-L35 HydrophobicContact CB-CD2 4.49Å; V9-L35 HydrophobicContact CG2-CD2 3.76Å; V22-L35 HydrophobicContact CG2-CD2 3.95Å; L35-V47 HydrophobicContact CB-CG1 4.04Å; L35-V47 HydrophobicContact CD2-CG1 3.78Å; L35-V47 HydrophobicContact CG-CG1 4.44Å; L35-L102 HydrophobicContact CD1-CD1 3.77Å; L35-I105 HydrophobicContact CD1-CD1 4.22Å; L35-I105 HydrophobicContact CD1-CG2 4.02Å; L35-I105 HydrophobicContact CD2-CD1 4.13Å; L35-I114 HydrophobicContact CB-CG2 4.4Å; L35-I114 HydrophobicContact CD1-CD1 4.18Å; L35-I114 HydrophobicContact CD1-CG2 3.49Å; L35-I114 VanDerWaalsContact CD1-CG2 3.49Å; L35-I114 HydrophobicContact CG-CG2 3.96Å; L35-N115 PolarHBondContact N-O 3.07Å; L35-I116 VanDerWaalsContact O-CA 3.32Å; L35-I116 WeakPolarHBondContact O-CA 3.25Å; L35-D117 PolarHBondContact O-N 2.87Å |
| 36 | D | 94.9 | Very high | 91.2 | Very high | 6 Ų | 6 | 21 Ų | 21 | 3% | 0.032 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 123.2 | 174.1 | -54.9 | -63.9 | 0 | 0 | 0 | 111.7 | N17 V47 A48 H49 K119 | N17-D36 PolarHBondContact ND2-OD2 3Å; N17-D36 PolarHBondContact OD1-N 3.45Å; N17-D36 PolarHBondContact OD1-OD2 3.32Å; D36-V47 CarbonylContact O-C 3.58Å; D36-V47 WeakPolarHBondContact O-CA 3.46Å; D36-V47 VanDerWaalsContact O-CG1 3.26Å; D36-V47 WeakPolarHBondContact O-CG1 3.42Å; D36-A48 VanDerWaalsContact CB-C 3.45Å; D36-A48 VanDerWaalsContact CB-O 3.31Å; D36-A48 WeakPolarHBondContact CB-O 3.4Å; D36-A48 PolarHBondContact O-N 3.47Å; D36-H49 HydrophobicContact CB-CB 4.38Å; D36-H49 VanDerWaalsContact CG-CD2 3.48Å; D36-H49 IonicContact OD1-CD2 2.71Å; D36-H49 PolarHBondContact OD1-CD2 2.94Å; D36-H49 VanDerWaalsContact OD1-CD2 3.26Å; D36-H49 VanDerWaalsContact OD2-CA 3.29Å; D36-H49 WeakPolarHBondContact OD2-CA 3.48Å; D36-H49 VanDerWaalsContact OD2-CB 3.24Å; D36-H49 WeakPolarHBondContact OD2-CB 3.33Å; D36-H49 IonicContact OD2-CD2 2.95Å; D36-H49 PolarHBondContact OD2-CD2 3.41Å; D36-H49 VanDerWaalsContact OD2-CD2 3.25Å; D36-H49 IonicContact OD2-CG 3.29Å; D36-K119 HydrophobicContact CB-CG 4.24Å; D36-K119 WeakPolarHBondContact OD1-CE 3.33Å; D36-K119 IonicContact OD1-NZ 3.86Å; D36-K119 PolarHBondContact OD1-NZ 3.15Å |
| 37 | C | 97.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 130.8 | -178.6 | -74.9 | 0 | 0 | 0 | 0 | 114.1 | V45 I116 D117 I118 K119 L125 | C37-V45 HydrophobicContact CB-CG1 4.1Å; C37-I116 HydrophobicContact CB-CG2 4.02Å; C37-I116 VanDerWaalsContact SG-CG2 3.52Å; C37-D117 PolarHBondContact N-O 3.08Å; C37-I118 HydrophobicContact CB-CD1 4.28Å; C37-K119 PolarHBondContact O-N 3.16Å; C37-L125 HydrophobicContact CB-CD1 4.43Å |
| 38 | Q | 97.7 | Very high | 92.5 | Very high | 7 Ų | 7 | 19.4 Ų | 19.4 | 3% | 0.033 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 160 | 177.9 | -58.1 | -78 | 3.7 | 0 | 0 | 110.4 | V45 V46 A48 H49 I63 Q120 | Q38-V45 WeakPolarHBondContact O-CA 3.43Å; Q38-V46 HydrophobicContact CB-CG2 4.06Å; Q38-V46 PolarHBondContact N-O 2.83Å; Q38-V46 PolarHBondContact O-N 2.98Å; Q38-A48 HydrophobicContact CG-CB 4.27Å; Q38-A48 WeakPolarHBondContact CG-O 3.31Å; Q38-H49 PolarHBondContact NE2-O 2.96Å; Q38-I63 HydrophobicContact CB-CD1 4.28Å; Q38-I63 HydrophobicContact CB-CG2 4.29Å; Q38-I63 HydrophobicContact CG-CD1 4.3Å; Q38-Q120 VanDerWaalsContact OE1-NE2 3.15Å |
| 39 | L | 98.3 | Very high | 93.3 | Very high | 15 Ų | 15 | 20 Ų | 20 | 8% | 0.079 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 133.1 | 177.1 | -162.3 | 72.5 | 0 | 0 | 0 | 112.7 | V45 S64 E122 L124 L125 | L39-V45 HydrophobicContact CD1-CG2 4.08Å; L39-S64 WeakPolarHBondContact O-CA 3.29Å; L39-E122 WeakPolarHBondContact CD2-OE2 3.22Å; L39-L124 HydrophobicContact CD2-CB 4.1Å; L39-L124 HydrophobicContact CD2-CD2 4.14Å; L39-L124 HydrophobicContact CD2-CG 4.16Å; L39-L125 HydrophobicContact CB-CB 4.2Å; L39-L125 HydrophobicContact CB-CD1 4.29Å; L39-L125 HydrophobicContact CD1-CB 4.37Å; L39-L125 HydrophobicContact CD1-CD1 4.31Å; L39-L125 HydrophobicContact CD2-CB 4.42Å |
| 40 | T | 98.6 | Very high | 94 | Very high | 5 Ų | 5 | 20.6 Ų | 20.6 | 3% | 0.031 | 12% | 0.117 | C | C | . | . | trans | -78.1 | 163.8 | 171.1 | 65 | 0 | 0 | 0 | 0 | 112.7 | D42 G43 K44 V46 I63 L66 Y68 L71 | T40-D42 WeakPolarHBondContact CB-OD1 3.33Å; T40-D42 PolarHBondContact O-N 3.46Å; T40-D42 VanDerWaalsContact O-N 3.13Å; T40-D42 PolarHBondContact OG1-OD1 2.8Å; T40-G43 PolarHBondContact O-N 3.25Å; T40-G43 PolarHBondContact OG1-N 3.26Å; T40-K44 HydrophobicContact CG2-CB 4.25Å; T40-K44 PolarHBondContact N-O 3.5Å; T40-K44 WeakPolarHBondContact OG1-CA 3.44Å; T40-K44 VanDerWaalsContact OG1-CB 3.31Å; T40-K44 WeakPolarHBondContact OG1-CB 3.46Å; T40-K44 PolarHBondContact OG1-N 2.94Å; T40-K44 PolarHBondContact OG1-O 2.88Å; T40-V46 HydrophobicContact CG2-CG1 3.77Å; T40-V46 HydrophobicContact CG2-CG2 4.21Å; T40-I63 HydrophobicContact CG2-CG2 3.99Å; T40-L66 WeakPolarHBondContact CB-O 3.34Å; T40-Y68 HydrophobicContact CG2-CD2 4.3Å; T40-L71 HydrophobicContact CG2-CD1 3.99Å | ||
| 41 | A | 97.9 | Very high | 94.9 | Very high | 62 Ų | 62 | 22.1 Ų | 22.1 | 51% | 0.512 | 12% | 0.124 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -21.2 | 175 | 0 | 0 | 0 | 0 | 0 | 114.3 | S64 L66 | A41-S64 WeakPolarHBondContact CB-O 3.28Å; A41-L66 PolarHBondContact N-O 2.87Å |
| 42 | D | 98.2 | Very high | 95.7 | Very high | 77 Ų | 77 | 23.9 Ų | 23.9 | 41% | 0.412 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | 17.9 | 174 | 65.6 | -18.2 | 0 | 0 | 0 | 113.9 | T40 K44 P67 Y68 | T40-D42 WeakPolarHBondContact CB-OD1 3.33Å; T40-D42 PolarHBondContact O-N 3.46Å; T40-D42 VanDerWaalsContact O-N 3.13Å; T40-D42 PolarHBondContact OG1-OD1 2.8Å; D42-K44 PolarHBondContact O-N 3.13Å; D42-P67 HydrophobicContact CB-CB 3.83Å; D42-P67 VanDerWaalsContact CG-CA 3.49Å; D42-P67 VanDerWaalsContact OD1-CA 3.28Å; D42-P67 WeakPolarHBondContact OD1-CA 3.26Å; D42-P67 WeakPolarHBondContact OD2-CB 3.48Å; D42-Y68 PolarHBondContact OD1-N 3.36Å; D42-Y68 PolarHBondContact OD2-N 2.86Å |
| 43 | G | 97.9 | Very high | 96.2 | Very high | 19 Ų | 19 | 23.9 Ų | 23.9 | 20% | 0.196 | 13% | 0.132 | C | C | . | . | S | Bend | trans | 72.9 | 26.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | T40 | T40-G43 PolarHBondContact O-N 3.25Å; T40-G43 PolarHBondContact OG1-N 3.26Å |
| 44 | K | 98.5 | Very high | 96.5 | Very high | 89 Ų | 89 | 27.7 Ų | 27.7 | 39% | 0.387 | 15% | 0.152 | S | C | . | . | trans | -95.1 | 131.6 | 173.6 | -62.7 | -58.2 | -171.8 | 176.8 | 0 | 110.3 | T40 D42 V46 L101 | T40-K44 HydrophobicContact CG2-CB 4.25Å; T40-K44 PolarHBondContact N-O 3.5Å; T40-K44 WeakPolarHBondContact OG1-CA 3.44Å; T40-K44 VanDerWaalsContact OG1-CB 3.31Å; T40-K44 WeakPolarHBondContact OG1-CB 3.46Å; T40-K44 PolarHBondContact OG1-N 2.94Å; T40-K44 PolarHBondContact OG1-O 2.88Å; D42-K44 PolarHBondContact O-N 3.13Å; K44-V46 PolarHBondContact O-N 2.57Å; K44-L101 HydrophobicContact CB-CD2 3.72Å; K44-L101 HydrophobicContact CG-CD2 4.32Å | ||
| 45 | V | 98.6 | Very high | 96.7 | Very high | 8 Ų | 8 | 29 Ų | 29 | 5% | 0.048 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 118.7 | 173.4 | -175.3 | 0 | 0 | 0 | 0 | 108.7 | C37 Q38 L39 L101 L102 L125 E128 V129 M132 | C37-V45 HydrophobicContact CB-CG1 4.1Å; Q38-V45 WeakPolarHBondContact O-CA 3.43Å; L39-V45 HydrophobicContact CD1-CG2 4.08Å; V45-L101 WeakPolarHBondContact O-CA 3.42Å; V45-L102 HydrophobicContact CB-CB 4.34Å; V45-L102 HydrophobicContact CG1-CB 3.86Å; V45-L102 HydrophobicContact CG1-CD2 4Å; V45-L102 PolarHBondContact O-N 2.82Å; V45-L102 VanDerWaalsContact O-N 3.08Å; V45-L125 HydrophobicContact CB-CD1 4.36Å; V45-L125 HydrophobicContact CG1-CD1 3.8Å; V45-L125 HydrophobicContact CG2-CD1 3.89Å; V45-E128 HydrophobicContact CG2-CB 3.63Å; V45-V129 HydrophobicContact CG1-CG2 3.87Å; V45-V129 HydrophobicContact CG2-CG2 4.27Å; V45-M132 HydrophobicContact CB-CE 3.77Å; V45-M132 HydrophobicContact CG1-CE 4.25Å; V45-M132 HydrophobicContact CG2-CE 3.67Å |
| 46 | V | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 156.4 | 176.9 | -67.4 | 0 | 0 | 0 | 0 | 110.7 | Q38 T40 K44 I63 Y68 L71 I99 P100 L101 | Q38-V46 HydrophobicContact CB-CG2 4.06Å; Q38-V46 PolarHBondContact N-O 2.83Å; Q38-V46 PolarHBondContact O-N 2.98Å; T40-V46 HydrophobicContact CG2-CG1 3.77Å; T40-V46 HydrophobicContact CG2-CG2 4.21Å; K44-V46 PolarHBondContact O-N 2.57Å; V46-I63 HydrophobicContact CG2-CD1 4.31Å; V46-I63 HydrophobicContact CG2-CG2 3.58Å; V46-Y68 HydrophobicContact CG1-CD2 3.42Å; V46-Y68 VanDerWaalsContact CG1-CD2 3.42Å; V46-Y68 HydrophobicContact CG1-CE2 3.53Å; V46-L71 HydrophobicContact CG1-CD1 3.93Å; V46-I99 HydrophobicContact CB-CG2 3.81Å; V46-I99 HydrophobicContact CG1-CG2 4.28Å; V46-I99 HydrophobicContact CG2-CG2 4.26Å; V46-P100 WeakPolarHBondContact CA-O 3.47Å; V46-L101 HydrophobicContact CG1-CD2 4.02Å |
| 47 | V | 96.4 | Very high | 96.8 | Very high | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.006 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 115.6 | 175.1 | -167.8 | 0 | 0 | 0 | 0 | 110.4 | N17 L35 D36 P100 L102 I105 | N17-V47 HydrophobicContact CB-CB 4.47Å; N17-V47 HydrophobicContact CB-CG1 3.76Å; N17-V47 WeakPolarHBondContact OD1-CG1 3.32Å; L35-V47 HydrophobicContact CB-CG1 4.04Å; L35-V47 HydrophobicContact CD2-CG1 3.78Å; L35-V47 HydrophobicContact CG-CG1 4.44Å; D36-V47 CarbonylContact O-C 3.58Å; D36-V47 WeakPolarHBondContact O-CA 3.46Å; D36-V47 VanDerWaalsContact O-CG1 3.26Å; D36-V47 WeakPolarHBondContact O-CG1 3.42Å; V47-P100 HydrophobicContact CB-CG 4.09Å; V47-P100 HydrophobicContact CG2-CG 4.41Å; V47-P100 PolarHBondContact N-O 3.08Å; V47-L102 HydrophobicContact CG2-CB 4.25Å; V47-L102 HydrophobicContact CG2-CD1 4.09Å; V47-I105 HydrophobicContact CB-CD1 4.31Å; V47-I105 HydrophobicContact CG2-CD1 3.55Å |
| 48 | A | 94.9 | Very high | 96.8 | Very high | 9 Ų | 9 | 31.7 Ų | 31.7 | 7% | 0.074 | 18% | 0.183 | C | C | . | . | trans | -167.3 | 135 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | D36 Q38 I63 | D36-A48 VanDerWaalsContact CB-C 3.45Å; D36-A48 VanDerWaalsContact CB-O 3.31Å; D36-A48 WeakPolarHBondContact CB-O 3.4Å; D36-A48 PolarHBondContact O-N 3.47Å; Q38-A48 HydrophobicContact CG-CB 4.27Å; Q38-A48 WeakPolarHBondContact CG-O 3.31Å; A48-I63 HydrophobicContact CB-CD1 3.56Å | ||
| 49 | H | 92.7 | Very high | 96.8 | Very high | 64 Ų | 64 | 34 Ų | 34 | 30% | 0.296 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -60.7 | -49.5 | 178.4 | -168.7 | -94.1 | 0 | 0 | 0 | 112.5 | N17 D36 Q38 E81 K119 | N17-H49 PolarHBondContact ND2-N 3.01Å; D36-H49 HydrophobicContact CB-CB 4.38Å; D36-H49 VanDerWaalsContact CG-CD2 3.48Å; D36-H49 IonicContact OD1-CD2 2.71Å; D36-H49 PolarHBondContact OD1-CD2 2.94Å; D36-H49 VanDerWaalsContact OD1-CD2 3.26Å; D36-H49 VanDerWaalsContact OD2-CA 3.29Å; D36-H49 WeakPolarHBondContact OD2-CA 3.48Å; D36-H49 VanDerWaalsContact OD2-CB 3.24Å; D36-H49 WeakPolarHBondContact OD2-CB 3.33Å; D36-H49 IonicContact OD2-CD2 2.95Å; D36-H49 PolarHBondContact OD2-CD2 3.41Å; D36-H49 VanDerWaalsContact OD2-CD2 3.25Å; D36-H49 IonicContact OD2-CG 3.29Å; Q38-H49 PolarHBondContact NE2-O 2.96Å; H49-E81 IonicContact CE1-OE2 3.95Å; H49-E81 PolarHBondContact CE1-OE2 3.15Å; H49-E81 IonicContact CG-OE2 2.74Å; H49-E81 IonicContact ND1-OE2 2.65Å; H49-E81 PolarHBondContact ND1-OE2 3.23Å; H49-K119 PolarHBondContact CD2-NZ 3.38Å; H49-K119 PolarHBondContact NE2-NZ 2.79Å |
| 50 | E | 91.5 | Very high | 96.7 | Very high | 41 Ų | 41 | 38.9 Ų | 38.9 | 19% | 0.192 | 22% | 0.224 | C | C | . | . | trans | -106.7 | 142.1 | -174.5 | -58.2 | 155 | 130.3 | 0 | 0 | 111.7 | H52 R55 I63 E81 | E50-H52 VanDerWaalsContact C-N 3.31Å; E50-R55 VanDerWaalsContact CD-NH2 3.3Å; E50-R55 IonicContact OE1-CZ 2.77Å; E50-R55 IonicContact OE1-NE 2.79Å; E50-R55 PolarHBondContact OE1-NE 3.38Å; E50-R55 IonicContact OE1-NH2 2.72Å; E50-R55 IonicContact OE2-CZ 3.08Å; E50-R55 IonicContact OE2-NE 2.71Å; E50-R55 PolarHBondContact OE2-NE 3Å; E50-R55 IonicContact OE2-NH2 3.8Å; E50-R55 PolarHBondContact OE2-NH2 3.12Å; E50-I63 WeakPolarHBondContact O-CD1 3.28Å; E50-E81 WeakPolarHBondContact CG-OE2 3.42Å | ||
| 51 | D | 96.5 | Very high | 96.7 | Very high | 34 Ų | 34 | 42.4 Ų | 42.4 | 18% | 0.182 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -69.7 | -29.9 | 167.1 | -172.1 | 19.3 | 0 | 0 | 0 | 111.2 | Y62 I63 S64 Q120 | D51-Y62 HydrophobicContact CB-CD1 4.26Å; D51-Y62 CarbonylContact O-C 3.25Å; D51-Y62 WeakPolarHBondContact O-CA 3.49Å; D51-I63 PolarHBondContact O-N 2.83Å; D51-I63 WeakPolarHBondContact OD1-CA 3.39Å; D51-I63 WeakPolarHBondContact OD1-CB 3.17Å; D51-I63 PolarHBondContact OD1-N 2.82Å; D51-S64 PolarHBondContact OD1-N 2.95Å; D51-S64 PolarHBondContact OD1-OG 2.92Å; D51-S64 PolarHBondContact OD2-OG 2.73Å; D51-Q120 PolarHBondContact OD2-NE2 2.91Å |
| 52 | H | 97.7 | Very high | 96.7 | Very high | 48 Ų | 48 | 44.5 Ų | 44.5 | 22% | 0.222 | 24% | 0.235 | C | C | . | . | B | Isolated β-bridge | trans | -90.6 | 117.5 | -176.6 | -167.8 | -115.6 | 0 | 0 | 0 | 113.1 | E50 L54 E61 Y62 | E50-H52 VanDerWaalsContact C-N 3.31Å; H52-L54 VanDerWaalsContact CE1-CB 3.43Å; H52-L54 WeakPolarHBondContact CE1-CB 3.32Å; H52-L54 WeakPolarHBondContact ND1-CB 3.32Å; H52-L54 PolarHBondContact O-N 3.1Å; H52-E61 PolarHBondContact CD2-O 3.42Å; H52-E61 VanDerWaalsContact CD2-O 3.29Å; H52-Y62 HydrophobicContact CB-CD1 4.04Å; H52-Y62 HydrophobicContact CB-CE1 3.83Å; H52-Y62 AromaticContact CD2-CD2 3.89Å; H52-Y62 AromaticContact CD2-CE1 3.76Å; H52-Y62 AromaticContact CD2-CE2 3.58Å; H52-Y62 AromaticContact CD2-CZ 3.51Å |
| 53 | L | 97.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | 3.2 | -166.8 | -68.8 | 161 | 0 | 0 | 0 | 115.4 | V56 A57 G58 V59 E61 I63 L66 L71 P72 I99 | L53-V56 HydrophobicContact CD2-CG2 4.23Å; L53-A57 HydrophobicContact CB-CB 4.39Å; L53-A57 CarbonylContact O-C 3.49Å; L53-A57 WeakPolarHBondContact O-CA 3.43Å; L53-A57 WeakPolarHBondContact O-CB 3.34Å; L53-A57 PolarHBondContact O-N 3.1Å; L53-G58 PolarHBondContact O-N 3.08Å; L53-V59 CarbonylContact C-O 3.58Å; L53-V59 HydrophobicContact CB-CB 4.34Å; L53-V59 PolarHBondContact O-N 3.27Å; L53-E61 WeakPolarHBondContact CB-O 3.46Å; L53-E61 HydrophobicContact CD1-CB 4.35Å; L53-E61 PolarHBondContact N-O 3.17Å; L53-I63 HydrophobicContact CD1-CG1 4.28Å; L53-I63 HydrophobicContact CD2-CD1 4.25Å; L53-I63 HydrophobicContact CD2-CG1 3.78Å; L53-I63 HydrophobicContact CG-CG1 4.01Å; L53-L66 HydrophobicContact CD1-CD1 3.78Å; L53-L71 HydrophobicContact CD1-CD2 4.33Å; L53-P72 HydrophobicContact CB-CG 4.44Å; L53-P72 HydrophobicContact CD1-CG 3.97Å; L53-P72 HydrophobicContact CD2-CG 4.12Å; L53-P72 HydrophobicContact CG-CG 4.41Å; L53-I99 HydrophobicContact CD2-CD1 3.68Å |
| 54 | L | 97.4 | Very high | 96.7 | Very high | 81 Ų | 81 | 42 Ų | 42 | 42% | 0.424 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -37.9 | -172 | -176.1 | 66 | 0 | 0 | 0 | 113.3 | H52 G58 V59 K75 | H52-L54 VanDerWaalsContact CE1-CB 3.43Å; H52-L54 WeakPolarHBondContact CE1-CB 3.32Å; H52-L54 WeakPolarHBondContact ND1-CB 3.32Å; H52-L54 PolarHBondContact O-N 3.1Å; L54-G58 VanDerWaalsContact O-CA 3.25Å; L54-G58 WeakPolarHBondContact O-CA 3.36Å; L54-G58 PolarHBondContact O-N 2.91Å; L54-V59 WeakPolarHBondContact CA-O 3.41Å; L54-V59 PolarHBondContact N-O 3.01Å; L54-V59 VanDerWaalsContact N-O 3.08Å; L54-K75 PolarHBondContact O-NZ 3.07Å |
| 55 | R | 95.3 | Very high | 96.7 | Very high | 43 Ų | 43 | 42.4 Ų | 42.4 | 16% | 0.162 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -54.5 | 178.1 | -173.7 | -178.1 | 58.8 | 88.5 | 8.6 | 110.7 | E16 E50 K75 V79 | E16-R55 IonicContact OE1-CZ 2.7Å; E16-R55 IonicContact OE1-NH1 3.11Å; E16-R55 PolarHBondContact OE1-NH1 2.7Å; E16-R55 IonicContact OE1-NH2 3.5Å; E16-R55 PolarHBondContact OE1-NH2 2.8Å; E16-R55 IonicContact OE2-CZ 2.89Å; E16-R55 IonicContact OE2-NH1 3.81Å; E16-R55 PolarHBondContact OE2-NH1 3.27Å; E16-R55 IonicContact OE2-NH2 3.63Å; E50-R55 VanDerWaalsContact CD-NH2 3.3Å; E50-R55 IonicContact OE1-CZ 2.77Å; E50-R55 IonicContact OE1-NE 2.79Å; E50-R55 PolarHBondContact OE1-NE 3.38Å; E50-R55 IonicContact OE1-NH2 2.72Å; E50-R55 IonicContact OE2-CZ 3.08Å; E50-R55 IonicContact OE2-NE 2.71Å; E50-R55 PolarHBondContact OE2-NE 3Å; E50-R55 IonicContact OE2-NH2 3.8Å; E50-R55 PolarHBondContact OE2-NH2 3.12Å; R55-K75 WeakPolarHBondContact O-CD 3.4Å; R55-K75 VanDerWaalsContact O-CE 3.29Å; R55-K75 WeakPolarHBondContact O-CE 3.41Å; R55-K75 PolarHBondContact O-NZ 3.02Å; R55-V79 PolarHBondContact NH1-O 2.89Å |
| 56 | V | 95 | Very high | 96.7 | Very high | 7 Ų | 7 | 43.5 Ų | 43.5 | 4% | 0.042 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75 | -38.7 | -174.7 | -61.7 | 0 | 0 | 0 | 0 | 114.2 | L53 M74 K75 V78 | L53-V56 HydrophobicContact CD2-CG2 4.23Å; V56-M74 HydrophobicContact CB-CG 4.13Å; V56-M74 HydrophobicContact CB-SD 4.01Å; V56-M74 HydrophobicContact CG2-CG 4.48Å; V56-M74 CarbonylContact O-C 3.5Å; V56-M74 WeakPolarHBondContact O-CA 3.5Å; V56-M74 WeakPolarHBondContact O-CB 3.41Å; V56-K75 WeakPolarHBondContact O-CG 3.46Å; V56-K75 PolarHBondContact O-N 3.06Å; V56-V78 HydrophobicContact CG1-CG1 4.2Å |
| 57 | A | 96.4 | Very high | 96.7 | Very high | 15 Ų | 15 | 45.9 Ų | 45.9 | 12% | 0.124 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -117.4 | -18 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | L53 V59 P72 | L53-A57 HydrophobicContact CB-CB 4.39Å; L53-A57 CarbonylContact O-C 3.49Å; L53-A57 WeakPolarHBondContact O-CA 3.43Å; L53-A57 WeakPolarHBondContact O-CB 3.34Å; L53-A57 PolarHBondContact O-N 3.1Å; A57-V59 VanDerWaalsContact C-N 3.31Å; A57-V59 HydrophobicContact CB-CG2 4.41Å; A57-P72 HydrophobicContact CB-CB 3.93Å; A57-P72 HydrophobicContact CB-CG 3.46Å; A57-P72 VanDerWaalsContact CB-CG 3.46Å |
| 58 | G | 97 | Very high | 96.8 | Very high | 41 Ų | 41 | 47.9 Ų | 47.9 | 42% | 0.423 | 26% | 0.256 | S | S | . | . | S | Bend | trans | 80.4 | 14.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | L53 L54 K75 | L53-G58 PolarHBondContact O-N 3.08Å; L54-G58 VanDerWaalsContact O-CA 3.25Å; L54-G58 WeakPolarHBondContact O-CA 3.36Å; L54-G58 PolarHBondContact O-N 2.91Å; G58-K75 VanDerWaalsContact CA-CE 3.43Å; G58-K75 VanDerWaalsContact N-CE 3.32Å |
| 59 | V | 97.2 | Very high | 96.9 | Very high | 56 Ų | 56 | 56.9 Ų | 56.9 | 34% | 0.339 | 29% | 0.293 | S | S | . | . | trans | -103.8 | 130.3 | 177.4 | -175.6 | 0 | 0 | 0 | 0 | 108.5 | L53 L54 A57 E61 P72 | L53-V59 CarbonylContact C-O 3.58Å; L53-V59 HydrophobicContact CB-CB 4.34Å; L53-V59 PolarHBondContact O-N 3.27Å; L54-V59 WeakPolarHBondContact CA-O 3.41Å; L54-V59 PolarHBondContact N-O 3.01Å; L54-V59 VanDerWaalsContact N-O 3.08Å; A57-V59 VanDerWaalsContact C-N 3.31Å; A57-V59 HydrophobicContact CB-CG2 4.41Å; V59-E61 HydrophobicContact CG1-CB 3.95Å; V59-E61 HydrophobicContact CG1-CG 3.99Å; V59-E61 PolarHBondContact O-N 3.39Å; V59-P72 HydrophobicContact CB-CG 4.31Å; V59-P72 HydrophobicContact CG2-CB 3.78Å; V59-P72 HydrophobicContact CG2-CG 3.92Å | ||
| 60 | N | 97.7 | Very high | 97.2 | Very high | 116 Ų | 116 | 61.1 Ų | 61.1 | 62% | 0.62 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -84.4 | 65 | 177.6 | -169.9 | 92.9 | 0 | 0 | 0 | 110.4 | ||
| 61 | E | 98 | Very high | 97.5 | Very high | 80 Ų | 80 | 60.3 Ų | 60.3 | 37% | 0.374 | 31% | 0.308 | S | S | . | . | trans | -141.7 | 166.7 | 178.5 | -79.2 | -64.1 | 173.2 | 0 | 0 | 110.5 | H52 L53 V59 L66 | H52-E61 PolarHBondContact CD2-O 3.42Å; H52-E61 VanDerWaalsContact CD2-O 3.29Å; L53-E61 WeakPolarHBondContact CB-O 3.46Å; L53-E61 HydrophobicContact CD1-CB 4.35Å; L53-E61 PolarHBondContact N-O 3.17Å; V59-E61 HydrophobicContact CG1-CB 3.95Å; V59-E61 HydrophobicContact CG1-CG 3.99Å; V59-E61 PolarHBondContact O-N 3.39Å; E61-L66 HydrophobicContact CB-CD1 4.07Å | ||
| 62 | Y | 98.4 | Very high | 97.6 | Very high | 105 Ų | 105 | 60 Ų | 60 | 41% | 0.412 | 31% | 0.307 | S | S | . | . | B | Isolated β-bridge | trans | -107.3 | 146.5 | 175.9 | -64.1 | -99.1 | 0 | 0 | 0 | 111.2 | D51 H52 S64 N65 | D51-Y62 HydrophobicContact CB-CD1 4.26Å; D51-Y62 CarbonylContact O-C 3.25Å; D51-Y62 WeakPolarHBondContact O-CA 3.49Å; H52-Y62 HydrophobicContact CB-CD1 4.04Å; H52-Y62 HydrophobicContact CB-CE1 3.83Å; H52-Y62 AromaticContact CD2-CD2 3.89Å; H52-Y62 AromaticContact CD2-CE1 3.76Å; H52-Y62 AromaticContact CD2-CE2 3.58Å; H52-Y62 AromaticContact CD2-CZ 3.51Å; Y62-S64 VanDerWaalsContact C-N 3.25Å; Y62-S64 WeakPolarHBondContact CB-OG 3.38Å; Y62-S64 PolarHBondContact O-N 2.74Å; Y62-N65 PolarHBondContact O-N 2.87Å; Y62-N65 VanDerWaalsContact O-N 3.12Å |
| 63 | I | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -58.5 | -43.3 | 172.5 | -66.2 | 173.8 | 0 | 0 | 0 | 109.4 | Q38 T40 V46 A48 E50 D51 L53 N65 L66 L71 | Q38-I63 HydrophobicContact CB-CD1 4.28Å; Q38-I63 HydrophobicContact CB-CG2 4.29Å; Q38-I63 HydrophobicContact CG-CD1 4.3Å; T40-I63 HydrophobicContact CG2-CG2 3.99Å; V46-I63 HydrophobicContact CG2-CD1 4.31Å; V46-I63 HydrophobicContact CG2-CG2 3.58Å; A48-I63 HydrophobicContact CB-CD1 3.56Å; E50-I63 WeakPolarHBondContact O-CD1 3.28Å; D51-I63 PolarHBondContact O-N 2.83Å; D51-I63 WeakPolarHBondContact OD1-CA 3.39Å; D51-I63 WeakPolarHBondContact OD1-CB 3.17Å; D51-I63 PolarHBondContact OD1-N 2.82Å; L53-I63 HydrophobicContact CD1-CG1 4.28Å; L53-I63 HydrophobicContact CD2-CD1 4.25Å; L53-I63 HydrophobicContact CD2-CG1 3.78Å; L53-I63 HydrophobicContact CG-CG1 4.01Å; I63-N65 PolarHBondContact O-N 3.29Å; I63-N65 VanDerWaalsContact O-N 3.08Å; I63-L66 PolarHBondContact O-N 3.42Å; I63-L66 VanDerWaalsContact O-O 3.09Å; I63-L71 HydrophobicContact CB-CD2 4.39Å; I63-L71 HydrophobicContact CG1-CD2 4.19Å; I63-L71 HydrophobicContact CG2-CD2 4.24Å |
| 64 | S | 97.8 | Very high | 97.5 | Very high | 45 Ų | 45 | 61.2 Ų | 61.2 | 32% | 0.315 | 32% | 0.315 | S | S | . | . | G | 310 helix | trans | -58.1 | -18.5 | 176 | 57.5 | 0 | 0 | 0 | 0 | 114.9 | L39 A41 D51 Y62 | L39-S64 WeakPolarHBondContact O-CA 3.29Å; A41-S64 WeakPolarHBondContact CB-O 3.28Å; D51-S64 PolarHBondContact OD1-N 2.95Å; D51-S64 PolarHBondContact OD1-OG 2.92Å; D51-S64 PolarHBondContact OD2-OG 2.73Å; Y62-S64 VanDerWaalsContact C-N 3.25Å; Y62-S64 WeakPolarHBondContact CB-OG 3.38Å; Y62-S64 PolarHBondContact O-N 2.74Å |
| 65 | N | 98.3 | Very high | 97.5 | Very high | 96 Ų | 96 | 61.4 Ų | 61.4 | 51% | 0.513 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -97.1 | -11.4 | 178.4 | -69 | -16.2 | 0 | 0 | 0 | 114 | Y62 I63 | Y62-N65 PolarHBondContact O-N 2.87Å; Y62-N65 VanDerWaalsContact O-N 3.12Å; I63-N65 PolarHBondContact O-N 3.29Å; I63-N65 VanDerWaalsContact O-N 3.08Å |
| 66 | L | 98.4 | Very high | 97.6 | Very high | 32 Ų | 32 | 64 Ų | 64 | 17% | 0.168 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -116.8 | 136 | -172.5 | -65 | 176.9 | 0 | 0 | 0 | 111.3 | T40 A41 L53 E61 I63 K70 L71 | T40-L66 WeakPolarHBondContact CB-O 3.34Å; A41-L66 PolarHBondContact N-O 2.87Å; L53-L66 HydrophobicContact CD1-CD1 3.78Å; E61-L66 HydrophobicContact CB-CD1 4.07Å; I63-L66 PolarHBondContact O-N 3.42Å; I63-L66 VanDerWaalsContact O-O 3.09Å; L66-K70 HydrophobicContact CD2-CB 4.44Å; L66-L71 HydrophobicContact CB-CD2 3.94Å; L66-L71 HydrophobicContact CD1-CD2 4.23Å |
| 67 | P | 98.4 | Very high | 97.6 | Very high | 49 Ų | 49 | 67.8 Ų | 67.8 | 32% | 0.318 | 34% | 0.342 | S | S | . | . | trans | -69.8 | 152.1 | 167 | 30.9 | -34.8 | 0 | 0 | 0 | 109.8 | D42 K69 K70 | D42-P67 HydrophobicContact CB-CB 3.83Å; D42-P67 VanDerWaalsContact CG-CA 3.49Å; D42-P67 VanDerWaalsContact OD1-CA 3.28Å; D42-P67 WeakPolarHBondContact OD1-CA 3.26Å; D42-P67 WeakPolarHBondContact OD2-CB 3.48Å; P67-K69 VanDerWaalsContact C-N 3.26Å; P67-K69 PolarHBondContact O-N 3.38Å; P67-K70 HydrophobicContact CG-CB 4Å; P67-K70 HydrophobicContact CG-CG 3.7Å; P67-K70 WeakPolarHBondContact O-CA 3.37Å; P67-K70 WeakPolarHBondContact O-CB 3.32Å; P67-K70 PolarHBondContact O-N 3.25Å | ||
| 68 | Y | 98.5 | Very high | 97.4 | Very high | 43 Ų | 43 | 67.2 Ų | 67.2 | 17% | 0.169 | 34% | 0.337 | C | S | . | . | G | 310 helix | trans | -50.3 | -43.6 | -170.8 | -177.4 | -109.9 | 0 | 0 | 0 | 113.6 | T40 D42 V46 K70 L71 R98 I99 L101 | T40-Y68 HydrophobicContact CG2-CD2 4.3Å; D42-Y68 PolarHBondContact OD1-N 3.36Å; D42-Y68 PolarHBondContact OD2-N 2.86Å; V46-Y68 HydrophobicContact CG1-CD2 3.42Å; V46-Y68 VanDerWaalsContact CG1-CD2 3.42Å; V46-Y68 HydrophobicContact CG1-CE2 3.53Å; Y68-K70 PolarHBondContact O-N 3.33Å; Y68-L71 HydrophobicContact CD2-CD1 3.67Å; Y68-L71 HydrophobicContact CE2-CD1 3.97Å; Y68-L71 PolarHBondContact O-N 2.85Å; Y68-L71 VanDerWaalsContact O-N 3.1Å; Y68-R98 PolarHBondContact OH-NH1 3.06Å; Y68-I99 WeakPolarHBondContact CE2-O 3.38Å; Y68-I99 PolarHBondContact OH-O 2.91Å; Y68-L101 HydrophobicContact CD1-CD1 4.38Å; Y68-L101 HydrophobicContact CD1-CD2 4.2Å; Y68-L101 HydrophobicContact CD1-CG 4.4Å; Y68-L101 HydrophobicContact CD2-CD2 3.72Å; Y68-L101 HydrophobicContact CD2-CG 4.35Å; Y68-L101 HydrophobicContact CE1-CD1 4.05Å; Y68-L101 HydrophobicContact CE1-CD2 4.23Å; Y68-L101 HydrophobicContact CE1-CG 3.97Å; Y68-L101 HydrophobicContact CE2-CD2 3.77Å; Y68-L101 HydrophobicContact CE2-CG 3.94Å; Y68-L101 HydrophobicContact CG-CD2 3.97Å |
| 69 | K | 97.7 | Very high | 97.2 | Very high | 198 Ų | 198 | 68 Ų | 68 | 86% | 0.861 | 33% | 0.333 | S | S | * | . | G | 310 helix | trans | -66.3 | -3.1 | 178.4 | -64.9 | -174.9 | 177.9 | -179.2 | 0 | 115.2 | P67 | P67-K69 VanDerWaalsContact C-N 3.26Å; P67-K69 PolarHBondContact O-N 3.38Å |
| 70 | K | 98.2 | Very high | 96.9 | Very high | 154 Ų | 154 | 66.1 Ų | 66.1 | 67% | 0.67 | 32% | 0.322 | S | S | * | . | G | 310 helix | trans | -114.2 | -2.6 | 177 | -66.3 | -64.9 | -172.9 | 178.2 | 0 | 113 | L66 P67 Y68 | L66-K70 HydrophobicContact CD2-CB 4.44Å; P67-K70 HydrophobicContact CG-CB 4Å; P67-K70 HydrophobicContact CG-CG 3.7Å; P67-K70 WeakPolarHBondContact O-CA 3.37Å; P67-K70 WeakPolarHBondContact O-CB 3.32Å; P67-K70 PolarHBondContact O-N 3.25Å; Y68-K70 PolarHBondContact O-N 3.33Å |
| 71 | L | 98.3 | Very high | 96.2 | Very high | 24 Ų | 24 | 65.3 Ų | 65.3 | 13% | 0.126 | 32% | 0.315 | C | S | . | . | P | Polyproline II helix | trans | -61.2 | 139.5 | 172.9 | -66.7 | -178.3 | 0 | 0 | 0 | 110.4 | T40 V46 L53 I63 L66 Y68 I99 | T40-L71 HydrophobicContact CG2-CD1 3.99Å; V46-L71 HydrophobicContact CG1-CD1 3.93Å; L53-L71 HydrophobicContact CD1-CD2 4.33Å; I63-L71 HydrophobicContact CB-CD2 4.39Å; I63-L71 HydrophobicContact CG1-CD2 4.19Å; I63-L71 HydrophobicContact CG2-CD2 4.24Å; L66-L71 HydrophobicContact CB-CD2 3.94Å; L66-L71 HydrophobicContact CD1-CD2 4.23Å; Y68-L71 HydrophobicContact CD2-CD1 3.67Å; Y68-L71 HydrophobicContact CE2-CD1 3.97Å; Y68-L71 PolarHBondContact O-N 2.85Å; Y68-L71 VanDerWaalsContact O-N 3.1Å; L71-I99 HydrophobicContact CD1-CB 4.42Å; L71-I99 HydrophobicContact CD1-CD1 4.46Å; L71-I99 HydrophobicContact CD1-CG2 4.19Å |
| 72 | P | 97.4 | Very high | 95.4 | Very high | 27 Ų | 27 | 64.5 Ų | 64.5 | 18% | 0.175 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -74.4 | 160.2 | 177.3 | 33 | -36.6 | 0 | 0 | 0 | 111.5 | L53 A57 V59 | L53-P72 HydrophobicContact CB-CG 4.44Å; L53-P72 HydrophobicContact CD1-CG 3.97Å; L53-P72 HydrophobicContact CD2-CG 4.12Å; L53-P72 HydrophobicContact CG-CG 4.41Å; A57-P72 HydrophobicContact CB-CB 3.93Å; A57-P72 HydrophobicContact CB-CG 3.46Å; A57-P72 VanDerWaalsContact CB-CG 3.46Å; V59-P72 HydrophobicContact CB-CG 4.31Å; V59-P72 HydrophobicContact CG2-CB 3.78Å; V59-P72 HydrophobicContact CG2-CG 3.92Å |
| 73 | I | 97.3 | Very high | 94.8 | Very high | 67 Ų | 67 | 60.5 Ų | 60.5 | 34% | 0.344 | 30% | 0.302 | S | S | . | . | P | Polyproline II helix | trans | -77.7 | 139.6 | 165.4 | -54.1 | -59.3 | 0 | 0 | 0 | 108.3 | V94 R97 R98 | I73-V94 HydrophobicContact CD1-CG1 3.79Å; I73-V94 HydrophobicContact CG1-CG1 3.96Å; I73-V94 HydrophobicContact CG2-CG1 4.23Å; I73-R97 HydrophobicContact CG2-CB 3.6Å; I73-R98 HydrophobicContact CD1-CB 4.31Å |
| 74 | M | 96.6 | Very high | 94.2 | Very high | 7 Ų | 7 | 63.6 Ų | 63.6 | 3% | 0.034 | 32% | 0.321 | C | S | . | . | P | Polyproline II helix | trans | -62 | 159.1 | 177.6 | -66.8 | -172 | -103.3 | 0 | 0 | 112.3 | T18 V56 V78 R97 I99 | T18-M74 HydrophobicContact CG2-CE 3.31Å; V56-M74 HydrophobicContact CB-CG 4.13Å; V56-M74 HydrophobicContact CB-SD 4.01Å; V56-M74 HydrophobicContact CG2-CG 4.48Å; V56-M74 CarbonylContact O-C 3.5Å; V56-M74 WeakPolarHBondContact O-CA 3.5Å; V56-M74 WeakPolarHBondContact O-CB 3.41Å; M74-V78 HydrophobicContact CB-CG2 4.35Å; M74-R97 HydrophobicContact CB-CB 4.22Å; M74-R97 WeakPolarHBondContact CB-O 3.28Å; M74-R97 PolarHBondContact N-O 3.33Å; M74-R97 PolarHBondContact O-NH1 2.88Å; M74-I99 HydrophobicContact CE-CG1 4Å; M74-I99 HydrophobicContact CG-CG1 4.22Å |
| 75 | K | 97 | Very high | 93.7 | Very high | 84 Ų | 84 | 69.5 Ų | 69.5 | 37% | 0.365 | 34% | 0.344 | S | S | . | . | P | Polyproline II helix | trans | -54.2 | 156.3 | 173.5 | -69.5 | 171.8 | -173.2 | 163.1 | 0 | 110.2 | H15 L54 R55 V56 G58 Q77 V78 R97 | H15-K75 PolarHBondContact CD2-O 3.12Å; H15-K75 PolarHBondContact NE2-O 3.36Å; L54-K75 PolarHBondContact O-NZ 3.07Å; R55-K75 WeakPolarHBondContact O-CD 3.4Å; R55-K75 VanDerWaalsContact O-CE 3.29Å; R55-K75 WeakPolarHBondContact O-CE 3.41Å; R55-K75 PolarHBondContact O-NZ 3.02Å; V56-K75 WeakPolarHBondContact O-CG 3.46Å; V56-K75 PolarHBondContact O-N 3.06Å; G58-K75 VanDerWaalsContact CA-CE 3.43Å; G58-K75 VanDerWaalsContact N-CE 3.32Å; K75-Q77 VanDerWaalsContact CB-O 3.27Å; K75-Q77 WeakPolarHBondContact CB-O 3.45Å; K75-Q77 PolarHBondContact O-N 2.9Å; K75-V78 HydrophobicContact CB-CG2 4.4Å; K75-R97 VanDerWaalsContact O-CD 3.25Å; K75-R97 WeakPolarHBondContact O-CD 3.42Å |
| 76 | K | 96.9 | Very high | 93.3 | Very high | 99 Ų | 99 | 65.1 Ų | 65.1 | 43% | 0.43 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -61.8 | -26.5 | 178.6 | -60.3 | -177.4 | 179.6 | -165.4 | 0 | 113.6 | H15 E90 T91 | H15-K76 PolarHBondContact CE1-O 2.93Å; H15-K76 VanDerWaalsContact NE2-C 3.33Å; H15-K76 PolarHBondContact NE2-O 3.36Å; H15-K76 VanDerWaalsContact NE2-O 3.16Å; K76-E90 HydrophobicContact CB-CG 3.82Å; K76-E90 CarbonylContact O-C 3.56Å; K76-E90 VanDerWaalsContact O-CA 3.26Å; K76-E90 WeakPolarHBondContact O-CA 3.48Å; K76-T91 PolarHBondContact O-N 2.65Å |
| 77 | Q | 95.5 | Very high | 93 | Very high | 86 Ų | 86 | 67.8 Ų | 67.8 | 40% | 0.402 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -139.2 | 135.3 | 169 | 168.4 | 170.8 | 81.3 | 0 | 0 | 107.4 | K75 K87 S88 E90 | K75-Q77 VanDerWaalsContact CB-O 3.27Å; K75-Q77 WeakPolarHBondContact CB-O 3.45Å; K75-Q77 PolarHBondContact O-N 2.9Å; Q77-K87 HydrophobicContact CG-CB 4.23Å; Q77-S88 VanDerWaalsContact CA-OG 3.27Å; Q77-S88 WeakPolarHBondContact CA-OG 3.14Å; Q77-S88 WeakPolarHBondContact CG-O 3.24Å; Q77-S88 PolarHBondContact NE2-O 3.36Å; Q77-E90 HydrophobicContact CB-CB 4.45Å |
| 78 | V | 93.5 | Very high | 92.7 | Very high | 3 Ų | 3 | 65.6 Ų | 65.6 | 2% | 0.018 | 32% | 0.317 | C | S | . | . | trans | -108.8 | 143.1 | 173.6 | 176.2 | 0 | 0 | 0 | 0 | 108.4 | E16 V56 M74 K75 K87 S88 | E16-V78 HydrophobicContact CG-CG1 4.18Å; E16-V78 WeakPolarHBondContact OE2-CG1 3.49Å; V56-V78 HydrophobicContact CG1-CG1 4.2Å; M74-V78 HydrophobicContact CB-CG2 4.35Å; K75-V78 HydrophobicContact CB-CG2 4.4Å; V78-K87 VanDerWaalsContact O-CA 3.31Å; V78-K87 WeakPolarHBondContact O-CA 3.26Å; V78-S88 PolarHBondContact N-OG 3.27Å; V78-S88 PolarHBondContact O-N 3.42Å | ||
| 79 | V | 92.8 | Very high | 92.4 | Very high | 56 Ų | 56 | 66.5 Ų | 66.5 | 34% | 0.339 | 33% | 0.328 | S | S | . | . | B | Isolated β-bridge | trans | -103.6 | 136 | 173.8 | -175.7 | 0 | 0 | 0 | 0 | 106.9 | R55 K87 | R55-V79 PolarHBondContact NH1-O 2.89Å; V79-K87 HydrophobicContact CB-CG 4.34Å; V79-K87 HydrophobicContact CG1-CG 4.14Å; V79-K87 HydrophobicContact CG2-CD 4.1Å; V79-K87 HydrophobicContact CG2-CG 4.03Å |
| 80 | S | 89 | Confident | 92.3 | Very high | 17 Ų | 17 | 62.8 Ų | 62.8 | 12% | 0.119 | 31% | 0.314 | C | S | . | . | trans | -53.5 | 146 | 176.1 | 170.5 | 0 | 0 | 0 | 0 | 111 | T82 D83 V86 | S80-T82 VanDerWaalsContact C-N 3.29Å; S80-T82 PolarHBondContact O-N 2.84Å; S80-T82 PolarHBondContact OG-N 3.27Å; S80-D83 WeakPolarHBondContact CB-O 3.43Å; S80-V86 PolarHBondContact N-O 2.96Å | ||
| 81 | E | 84.8 | Confident | 92.1 | Very high | 99 Ų | 99 | 56.5 Ų | 56.5 | 46% | 0.463 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -62.1 | -39.7 | 178 | -173.4 | -177.5 | 144 | 0 | 0 | 111.7 | H49 E50 | H49-E81 IonicContact CE1-OE2 3.95Å; H49-E81 PolarHBondContact CE1-OE2 3.15Å; H49-E81 IonicContact CG-OE2 2.74Å; H49-E81 IonicContact ND1-OE2 2.65Å; H49-E81 PolarHBondContact ND1-OE2 3.23Å; E50-E81 WeakPolarHBondContact CG-OE2 3.42Å |
| 82 | T | 80.2 | Confident | 91.9 | Very high | 63 Ų | 63 | 60.6 Ų | 60.6 | 39% | 0.387 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -99 | -32.3 | -168.4 | 58.8 | 0 | 0 | 0 | 0 | 113 | S80 Y204 | S80-T82 VanDerWaalsContact C-N 3.29Å; S80-T82 PolarHBondContact O-N 2.84Å; S80-T82 PolarHBondContact OG-N 3.27Å; T82-Y204 WeakPolarHBondContact O-CD2 3.41Å; T82-Y204 VanDerWaalsContact O-CG 3.31Å |
| 83 | D | 85.1 | Confident | 91.8 | Very high | 22 Ų | 22 | 62.7 Ų | 62.7 | 12% | 0.118 | 32% | 0.316 | C | S | . | . | trans | -121.4 | 109 | -178 | -163.6 | -26.6 | 0 | 0 | 0 | 112.4 | S80 E85 V86 Y204 | S80-D83 WeakPolarHBondContact CB-O 3.43Å; D83-E85 PolarHBondContact O-N 3.44Å; D83-E85 WeakPolarHBondContact OD1-CB 3.35Å; D83-E85 PolarHBondContact OD1-N 2.92Å; D83-V86 HydrophobicContact CB-CB 4.16Å; D83-V86 HydrophobicContact CB-CG2 3.83Å; D83-V86 PolarHBondContact O-N 3.47Å; D83-Y204 HydrophobicContact CB-CD1 4.3Å; D83-Y204 HydrophobicContact CB-CE1 3.63Å; D83-Y204 VanDerWaalsContact OD2-CE1 3.3Å; D83-Y204 WeakPolarHBondContact OD2-CE1 3.13Å | ||
| 84 | P | 85.9 | Confident | 91.6 | Very high | 64 Ų | 64 | 62.8 Ų | 62.8 | 42% | 0.416 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -9.2 | 179.5 | 31.9 | -37.3 | 0 | 0 | 0 | 114.3 | K87 P205 | P84-K87 WeakPolarHBondContact O-CE 3.25Å; P84-P205 HydrophobicContact CG-CG 3.93Å |
| 85 | E | 87.9 | Confident | 91.4 | Very high | 169 Ų | 169 | 67.9 Ų | 67.9 | 79% | 0.79 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -27.3 | 173.2 | -55.6 | -163.3 | 142.9 | 0 | 0 | 111.6 | D83 | D83-E85 PolarHBondContact O-N 3.44Å; D83-E85 WeakPolarHBondContact OD1-CB 3.35Å; D83-E85 PolarHBondContact OD1-N 2.92Å |
| 86 | V | 89.2 | Confident | 91.2 | Very high | 4 Ų | 4 | 66.5 Ų | 66.5 | 2% | 0.024 | 34% | 0.339 | C | S | . | . | trans | -83 | 124.8 | 176.8 | -179.4 | 0 | 0 | 0 | 0 | 111 | S80 D83 D267 Y268 | S80-V86 PolarHBondContact N-O 2.96Å; D83-V86 HydrophobicContact CB-CB 4.16Å; D83-V86 HydrophobicContact CB-CG2 3.83Å; D83-V86 PolarHBondContact O-N 3.47Å; V86-D267 HydrophobicContact CG1-CB 3.88Å; V86-Y268 HydrophobicContact CG1-CE2 4.45Å; V86-Y268 HydrophobicContact CG2-CE2 4.12Å | ||
| 87 | K | 92.6 | Very high | 91.1 | Very high | 88 Ų | 88 | 63.1 Ų | 63.1 | 38% | 0.383 | 32% | 0.323 | S | S | . | . | B | Isolated β-bridge | trans | -147.2 | 145.7 | -177.2 | -54 | 179.2 | -174.9 | 158.9 | 0 | 110.5 | G11 Q77 V78 V79 P84 | G11-K87 CarbonylContact O-C 3.57Å; G11-K87 VanDerWaalsContact O-C 3.3Å; Q77-K87 HydrophobicContact CG-CB 4.23Å; V78-K87 VanDerWaalsContact O-CA 3.31Å; V78-K87 WeakPolarHBondContact O-CA 3.26Å; V79-K87 HydrophobicContact CB-CG 4.34Å; V79-K87 HydrophobicContact CG1-CG 4.14Å; V79-K87 HydrophobicContact CG2-CD 4.1Å; V79-K87 HydrophobicContact CG2-CG 4.03Å; P84-K87 WeakPolarHBondContact O-CE 3.25Å |
| 88 | S | 92.5 | Very high | 91.1 | Very high | 3 Ų | 3 | 61.8 Ų | 61.8 | 2% | 0.021 | 32% | 0.315 | C | S | . | . | P | Polyproline II helix | trans | -59.9 | 154 | 169.2 | 73 | 0 | 0 | 0 | 0 | 111.3 | G11 A14 H15 Q77 V78 | G11-S88 PolarHBondContact O-N 3.35Å; A14-S88 VanDerWaalsContact O-CA 3.28Å; A14-S88 WeakPolarHBondContact O-CA 3.41Å; A14-S88 WeakPolarHBondContact O-CB 3.37Å; H15-S88 PolarHBondContact CE1-OG 2.85Å; H15-S88 VanDerWaalsContact CE1-OG 3.26Å; H15-S88 PolarHBondContact NE2-OG 3.23Å; Q77-S88 VanDerWaalsContact CA-OG 3.27Å; Q77-S88 WeakPolarHBondContact CA-OG 3.14Å; Q77-S88 WeakPolarHBondContact CG-O 3.24Å; Q77-S88 PolarHBondContact NE2-O 3.36Å; V78-S88 PolarHBondContact N-OG 3.27Å; V78-S88 PolarHBondContact O-N 3.42Å |
| 89 | P | 92.6 | Very high | 91.3 | Very high | 62 Ų | 62 | 61.8 Ų | 61.8 | 40% | 0.403 | 31% | 0.314 | S | S | . | . | P | Polyproline II helix | trans | -57.4 | 148.9 | 160 | 26.2 | -34.3 | 0 | 0 | 0 | 110.2 | H15 T91 | H15-P89 PolarHBondContact CE1-O 3.14Å; P89-T91 PolarHBondContact O-N 3.17Å |
| 90 | E | 95.4 | Very high | 91.4 | Very high | 121 Ų | 121 | 59.2 Ų | 59.2 | 57% | 0.565 | 30% | 0.299 | S | S | * | . | P | Polyproline II helix | trans | -73.4 | 126.5 | 172.2 | -166.2 | -171.8 | 158.7 | 0 | 0 | 109.8 | K76 Q77 Q92 | K76-E90 HydrophobicContact CB-CG 3.82Å; K76-E90 CarbonylContact O-C 3.56Å; K76-E90 VanDerWaalsContact O-CA 3.26Å; K76-E90 WeakPolarHBondContact O-CA 3.48Å; Q77-E90 HydrophobicContact CB-CB 4.45Å; E90-Q92 PolarHBondContact OE1-NE2 3.24Å |
| 91 | T | 93.7 | Very high | 91.8 | Very high | 22 Ų | 22 | 59.9 Ų | 59.9 | 14% | 0.135 | 30% | 0.301 | C | S | . | . | trans | -128.8 | 143.1 | 172 | -168.3 | 0 | 0 | 0 | 0 | 111.7 | K76 P89 N93 E96 R97 | K76-T91 PolarHBondContact O-N 2.65Å; P89-T91 PolarHBondContact O-N 3.17Å; T91-N93 WeakPolarHBondContact OG1-CB 3.33Å; T91-N93 PolarHBondContact OG1-N 2.95Å; T91-N93 VanDerWaalsContact OG1-N 3.16Å; T91-E96 VanDerWaalsContact CB-OE2 3.3Å; T91-E96 WeakPolarHBondContact CB-OE2 3.4Å; T91-E96 HydrophobicContact CG2-CB 4.03Å; T91-E96 WeakPolarHBondContact CG2-OE2 3.32Å; T91-E96 PolarHBondContact OG1-OE2 2.74Å; T91-R97 HydrophobicContact CG2-CG 3.55Å; T91-R97 PolarHBondContact O-NE 2.98Å | ||
| 92 | Q | 94.3 | Very high | 92.4 | Very high | 109 Ų | 109 | 55.1 Ų | 55.1 | 51% | 0.509 | 28% | 0.279 | S | S | . | . | trans | -87.2 | -20.5 | 168.3 | -53.2 | -54.7 | -45.9 | 0 | 0 | 111.5 | E90 V94 R97 | E90-Q92 PolarHBondContact OE1-NE2 3.24Å; Q92-V94 PolarHBondContact O-N 2.99Å; Q92-R97 PolarHBondContact O-NH2 3.07Å | ||
| 93 | N | 94.5 | Very high | 93.2 | Very high | 71 Ų | 71 | 54.2 Ų | 54.2 | 38% | 0.38 | 27% | 0.27 | S | S | . | . | trans | -58.1 | 132.8 | -176.1 | -170.5 | -10.6 | 0 | 0 | 0 | 109.9 | T91 E95 E96 R97 | T91-N93 WeakPolarHBondContact OG1-CB 3.33Å; T91-N93 PolarHBondContact OG1-N 2.95Å; T91-N93 VanDerWaalsContact OG1-N 3.16Å; N93-E95 PolarHBondContact OD1-N 3.35Å; N93-E95 VanDerWaalsContact OD1-N 3.15Å; N93-E96 HydrophobicContact CB-CB 4.02Å; N93-E96 VanDerWaalsContact CB-CD 3.49Å; N93-E96 HydrophobicContact CB-CG 3.93Å; N93-E96 VanDerWaalsContact ND2-CD 3.27Å; N93-E96 WeakPolarHBondContact ND2-CG 3.35Å; N93-E96 PolarHBondContact ND2-OE1 3.27Å; N93-R97 WeakPolarHBondContact O-CG 3.18Å; N93-R97 PolarHBondContact O-NE 3.32Å; N93-R97 PolarHBondContact O-NH2 2.95Å | ||
| 94 | V | 94.3 | Very high | 93.6 | Very high | 69 Ų | 69 | 55.2 Ų | 55.2 | 42% | 0.418 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -82.2 | -37.7 | -176.2 | 173.2 | 0 | 0 | 0 | 0 | 110.8 | I73 Q92 R97 R98 | I73-V94 HydrophobicContact CD1-CG1 3.79Å; I73-V94 HydrophobicContact CG1-CG1 3.96Å; I73-V94 HydrophobicContact CG2-CG1 4.23Å; Q92-V94 PolarHBondContact O-N 2.99Å; V94-R97 CarbonylContact O-C 3.54Å; V94-R97 PolarHBondContact O-N 3.18Å; V94-R97 VanDerWaalsContact O-N 3.09Å; V94-R98 PolarHBondContact O-N 3.47Å |
| 95 | E | 91.8 | Very high | 93.9 | Very high | 115 Ų | 115 | 52.2 Ų | 52.2 | 54% | 0.537 | 25% | 0.254 | S | S | . | . | G | 310 helix | trans | -69.3 | -36.8 | 179.7 | -65 | -53 | 135.9 | 0 | 0 | 111.8 | N93 R97 R98 | N93-E95 PolarHBondContact OD1-N 3.35Å; N93-E95 VanDerWaalsContact OD1-N 3.15Å; E95-R97 PolarHBondContact O-N 2.81Å; E95-R97 VanDerWaalsContact O-N 3.08Å; E95-R98 PolarHBondContact O-N 2.97Å; E95-R98 IonicContact OE2-CZ 2.7Å; E95-R98 IonicContact OE2-NE 2.67Å; E95-R98 PolarHBondContact OE2-NE 2.95Å; E95-R98 IonicContact OE2-NH2 3.85Å |
| 96 | E | 91.9 | Very high | 94.1 | Very high | 55 Ų | 55 | 44.2 Ų | 44.2 | 26% | 0.257 | 22% | 0.217 | S | C | . | . | G | 310 helix | trans | -65.5 | -6.4 | 171.6 | -69.7 | 168.9 | -151.7 | 0 | 0 | 114.1 | T18 N20 T91 N93 | T18-E96 WeakPolarHBondContact CG2-O 3.36Å; N20-E96 HydrophobicContact CB-CG 4.1Å; T91-E96 VanDerWaalsContact CB-OE2 3.3Å; T91-E96 WeakPolarHBondContact CB-OE2 3.4Å; T91-E96 HydrophobicContact CG2-CB 4.03Å; T91-E96 WeakPolarHBondContact CG2-OE2 3.32Å; T91-E96 PolarHBondContact OG1-OE2 2.74Å; N93-E96 HydrophobicContact CB-CB 4.02Å; N93-E96 VanDerWaalsContact CB-CD 3.49Å; N93-E96 HydrophobicContact CB-CG 3.93Å; N93-E96 VanDerWaalsContact ND2-CD 3.27Å; N93-E96 WeakPolarHBondContact ND2-CG 3.35Å; N93-E96 PolarHBondContact ND2-OE1 3.27Å |
| 97 | R | 94.9 | Very high | 94.2 | Very high | 27 Ų | 27 | 49.6 Ų | 49.6 | 10% | 0.102 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -126.1 | 6.4 | -178.8 | -65.2 | -176 | -65.5 | 120 | -1.1 | 112.9 | I73 M74 K75 T91 Q92 N93 V94 E95 | I73-R97 HydrophobicContact CG2-CB 3.6Å; M74-R97 HydrophobicContact CB-CB 4.22Å; M74-R97 WeakPolarHBondContact CB-O 3.28Å; M74-R97 PolarHBondContact N-O 3.33Å; M74-R97 PolarHBondContact O-NH1 2.88Å; K75-R97 VanDerWaalsContact O-CD 3.25Å; K75-R97 WeakPolarHBondContact O-CD 3.42Å; T91-R97 HydrophobicContact CG2-CG 3.55Å; T91-R97 PolarHBondContact O-NE 2.98Å; Q92-R97 PolarHBondContact O-NH2 3.07Å; N93-R97 WeakPolarHBondContact O-CG 3.18Å; N93-R97 PolarHBondContact O-NE 3.32Å; N93-R97 PolarHBondContact O-NH2 2.95Å; V94-R97 CarbonylContact O-C 3.54Å; V94-R97 PolarHBondContact O-N 3.18Å; V94-R97 VanDerWaalsContact O-N 3.09Å; E95-R97 PolarHBondContact O-N 2.81Å; E95-R97 VanDerWaalsContact O-N 3.08Å |
| 98 | R | 96 | Very high | 93.8 | Very high | 59 Ų | 59 | 48.3 Ų | 48.3 | 22% | 0.223 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -79 | 136.5 | 174.7 | -178.5 | 169.9 | 62.2 | 82.3 | -3.7 | 108.9 | Y68 I73 V94 E95 P100 E104 | Y68-R98 PolarHBondContact OH-NH1 3.06Å; I73-R98 HydrophobicContact CD1-CB 4.31Å; V94-R98 PolarHBondContact O-N 3.47Å; E95-R98 PolarHBondContact O-N 2.97Å; E95-R98 IonicContact OE2-CZ 2.7Å; E95-R98 IonicContact OE2-NE 2.67Å; E95-R98 PolarHBondContact OE2-NE 2.95Å; E95-R98 IonicContact OE2-NH2 3.85Å; R98-P100 WeakPolarHBondContact O-CD 3.42Å; R98-E104 IonicContact CZ-OE1 3.6Å; R98-E104 VanDerWaalsContact CZ-OE1 3.29Å; R98-E104 IonicContact CZ-OE2 3.48Å; R98-E104 VanDerWaalsContact NH1-CD 3.3Å; R98-E104 IonicContact NH1-OE1 2.73Å; R98-E104 PolarHBondContact NH1-OE1 3.45Å; R98-E104 IonicContact NH1-OE2 2.7Å; R98-E104 PolarHBondContact NH1-OE2 3.46Å; R98-E104 IonicContact NH2-OE1 2.7Å; R98-E104 PolarHBondContact NH2-OE1 3.38Å; R98-E104 IonicContact NH2-OE2 3.37Å |
| 99 | I | 96.8 | Very high | 93.3 | Very high | 3 Ų | 3 | 48.7 Ų | 48.7 | 2% | 0.015 | 25% | 0.245 | C | C | . | . | trans | -68.9 | 114.2 | 168.4 | -62.4 | 173.5 | 0 | 0 | 0 | 107.4 | V46 L53 Y68 L71 M74 | V46-I99 HydrophobicContact CB-CG2 3.81Å; V46-I99 HydrophobicContact CG1-CG2 4.28Å; V46-I99 HydrophobicContact CG2-CG2 4.26Å; L53-I99 HydrophobicContact CD2-CD1 3.68Å; Y68-I99 WeakPolarHBondContact CE2-O 3.38Å; Y68-I99 PolarHBondContact OH-O 2.91Å; L71-I99 HydrophobicContact CD1-CB 4.42Å; L71-I99 HydrophobicContact CD1-CD1 4.46Å; L71-I99 HydrophobicContact CD1-CG2 4.19Å; M74-I99 HydrophobicContact CE-CG1 4Å; M74-I99 HydrophobicContact CG-CG1 4.22Å | ||
| 100 | P | 96.3 | Very high | 92.5 | Very high | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.006 | 25% | 0.245 | C | C | . | . | trans | -80.7 | 158.4 | -175.9 | 35.1 | -35.2 | 0 | 0 | 0 | 111.2 | N17 L19 V46 V47 R98 I105 | N17-P100 WeakPolarHBondContact O-CD 3.33Å; N17-P100 WeakPolarHBondContact O-CG 3.37Å; L19-P100 HydrophobicContact CB-CB 4.36Å; V46-P100 WeakPolarHBondContact CA-O 3.47Å; V47-P100 HydrophobicContact CB-CG 4.09Å; V47-P100 HydrophobicContact CG2-CG 4.41Å; V47-P100 PolarHBondContact N-O 3.08Å; R98-P100 WeakPolarHBondContact O-CD 3.42Å; P100-I105 HydrophobicContact CB-CD1 4.43Å; P100-I105 HydrophobicContact CG-CD1 4.04Å | ||
| 101 | L | 98 | Very high | 91.5 | Very high | 31 Ų | 31 | 50 Ų | 50 | 16% | 0.162 | 24% | 0.238 | C | C | . | . | B | Isolated β-bridge | trans | -76 | 145 | 161.7 | -63.9 | 167.2 | 0 | 0 | 0 | 109.4 | K44 V45 V46 Y68 E103 E104 | K44-L101 HydrophobicContact CB-CD2 3.72Å; K44-L101 HydrophobicContact CG-CD2 4.32Å; V45-L101 WeakPolarHBondContact O-CA 3.42Å; V46-L101 HydrophobicContact CG1-CD2 4.02Å; Y68-L101 HydrophobicContact CD1-CD1 4.38Å; Y68-L101 HydrophobicContact CD1-CD2 4.2Å; Y68-L101 HydrophobicContact CD1-CG 4.4Å; Y68-L101 HydrophobicContact CD2-CD2 3.72Å; Y68-L101 HydrophobicContact CD2-CG 4.35Å; Y68-L101 HydrophobicContact CE1-CD1 4.05Å; Y68-L101 HydrophobicContact CE1-CD2 4.23Å; Y68-L101 HydrophobicContact CE1-CG 3.97Å; Y68-L101 HydrophobicContact CE2-CD2 3.77Å; Y68-L101 HydrophobicContact CE2-CG 3.94Å; Y68-L101 HydrophobicContact CG-CD2 3.97Å; L101-E103 HydrophobicContact CB-CB 4.49Å; L101-E103 PolarHBondContact O-N 2.97Å; L101-E104 HydrophobicContact CB-CG 4.1Å; L101-E104 PolarHBondContact N-OE2 3.21Å; L101-E104 PolarHBondContact O-N 3.12Å; L101-E104 VanDerWaalsContact O-N 3.12Å |
| 102 | L | 96.9 | Very high | 91 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -57.4 | -35.8 | 172.1 | -178.2 | 65.5 | 0 | 0 | 0 | 111.4 | L35 V45 V47 E104 I105 F106 I116 V129 M132 | L35-L102 HydrophobicContact CD1-CD1 3.77Å; V45-L102 HydrophobicContact CB-CB 4.34Å; V45-L102 HydrophobicContact CG1-CB 3.86Å; V45-L102 HydrophobicContact CG1-CD2 4Å; V45-L102 PolarHBondContact O-N 2.82Å; V45-L102 VanDerWaalsContact O-N 3.08Å; V47-L102 HydrophobicContact CG2-CB 4.25Å; V47-L102 HydrophobicContact CG2-CD1 4.09Å; L102-E104 VanDerWaalsContact C-N 3.31Å; L102-E104 PolarHBondContact O-N 3.44Å; L102-I105 PolarHBondContact O-N 2.86Å; L102-I105 VanDerWaalsContact O-N 3.15Å; L102-F106 HydrophobicContact CD1-CD1 4.03Å; L102-F106 HydrophobicContact CD1-CE1 3.59Å; L102-F106 HydrophobicContact CD1-CZ 4.19Å; L102-F106 HydrophobicContact CD2-CE1 4.17Å; L102-F106 HydrophobicContact CD2-CE2 4.4Å; L102-F106 HydrophobicContact CD2-CZ 3.92Å; L102-F106 HydrophobicContact CG-CD1 4.12Å; L102-F106 HydrophobicContact CG-CE1 3.81Å; L102-F106 HydrophobicContact CG-CZ 4.04Å; L102-F106 PolarHBondContact O-N 3.23Å; L102-I116 HydrophobicContact CD1-CD1 4.45Å; L102-I116 HydrophobicContact CD2-CD1 4.31Å; L102-V129 HydrophobicContact CD2-CG1 4.25Å; L102-V129 HydrophobicContact CD2-CG2 4Å; L102-M132 HydrophobicContact CB-CE 4.33Å; L102-M132 HydrophobicContact CD2-CE 3.87Å; L102-M132 HydrophobicContact CG-CE 4.47Å |
| 103 | E | 96 | Very high | 90.8 | Very high | 43 Ų | 43 | 44.1 Ų | 44.1 | 20% | 0.201 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.2 | -36.1 | 178.1 | -173.5 | 156 | -137.1 | 0 | 0 | 113.2 | L101 I105 F106 Q107 M132 Y136 | L101-E103 HydrophobicContact CB-CB 4.49Å; L101-E103 PolarHBondContact O-N 2.97Å; E103-I105 VanDerWaalsContact C-N 3.33Å; E103-I105 PolarHBondContact O-N 2.72Å; E103-F106 PolarHBondContact O-N 2.81Å; E103-Q107 WeakPolarHBondContact O-CB 3.48Å; E103-Q107 VanDerWaalsContact O-CG 3.26Å; E103-Q107 WeakPolarHBondContact O-CG 3.44Å; E103-Q107 PolarHBondContact O-N 3.28Å; E103-M132 HydrophobicContact CB-SD 3.81Å; E103-M132 HydrophobicContact CG-SD 4.48Å; E103-Y136 HydrophobicContact CG-CE2 4.21Å; E103-Y136 VanDerWaalsContact CG-OH 3.31Å; E103-Y136 WeakPolarHBondContact CG-OH 3.11Å; E103-Y136 PolarHBondContact OE1-OH 3.4Å |
| 104 | E | 94 | Very high | 90.7 | Very high | 44 Ų | 44 | 40.7 Ų | 40.7 | 21% | 0.206 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64 | -40.4 | 175.9 | -69 | 173.5 | 104.5 | 0 | 0 | 111 | R98 L101 L102 Q107 S108 | R98-E104 IonicContact CZ-OE1 3.6Å; R98-E104 VanDerWaalsContact CZ-OE1 3.29Å; R98-E104 IonicContact CZ-OE2 3.48Å; R98-E104 VanDerWaalsContact NH1-CD 3.3Å; R98-E104 IonicContact NH1-OE1 2.73Å; R98-E104 PolarHBondContact NH1-OE1 3.45Å; R98-E104 IonicContact NH1-OE2 2.7Å; R98-E104 PolarHBondContact NH1-OE2 3.46Å; R98-E104 IonicContact NH2-OE1 2.7Å; R98-E104 PolarHBondContact NH2-OE1 3.38Å; R98-E104 IonicContact NH2-OE2 3.37Å; L101-E104 HydrophobicContact CB-CG 4.1Å; L101-E104 PolarHBondContact N-OE2 3.21Å; L101-E104 PolarHBondContact O-N 3.12Å; L101-E104 VanDerWaalsContact O-N 3.12Å; L102-E104 VanDerWaalsContact C-N 3.31Å; L102-E104 PolarHBondContact O-N 3.44Å; E104-Q107 PolarHBondContact O-N 3.12Å; E104-S108 PolarHBondContact O-N 2.92Å; E104-S108 PolarHBondContact O-OG 3.01Å |
| 105 | I | 92.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -70.2 | -41.1 | 178.6 | -64.6 | 157.9 | 0 | 0 | 0 | 110.9 | L19 V22 L35 V47 P100 L102 E103 Q107 S108 L109 I114 | L19-I105 HydrophobicContact CD1-CG1 3.82Å; V22-I105 HydrophobicContact CG1-CG2 4.16Å; V22-I105 HydrophobicContact CG2-CD1 4.01Å; V22-I105 HydrophobicContact CG2-CG1 4.18Å; V22-I105 HydrophobicContact CG2-CG2 4.36Å; L35-I105 HydrophobicContact CD1-CD1 4.22Å; L35-I105 HydrophobicContact CD1-CG2 4.02Å; L35-I105 HydrophobicContact CD2-CD1 4.13Å; V47-I105 HydrophobicContact CB-CD1 4.31Å; V47-I105 HydrophobicContact CG2-CD1 3.55Å; P100-I105 HydrophobicContact CB-CD1 4.43Å; P100-I105 HydrophobicContact CG-CD1 4.04Å; L102-I105 PolarHBondContact O-N 2.86Å; L102-I105 VanDerWaalsContact O-N 3.15Å; E103-I105 VanDerWaalsContact C-N 3.33Å; E103-I105 PolarHBondContact O-N 2.72Å; I105-Q107 VanDerWaalsContact C-N 3.27Å; I105-Q107 PolarHBondContact O-N 2.8Å; I105-S108 PolarHBondContact O-N 3.45Å; I105-L109 PolarHBondContact O-N 3.2Å; I105-I114 HydrophobicContact CG2-CD1 4.13Å |
| 106 | F | 92.7 | Very high | 90.9 | Very high | 1 Ų | 1 | 32 Ų | 32 | 0% | 0.004 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63.3 | -34.2 | 176.3 | -80.7 | 19.8 | 0 | 0 | 0 | 112.3 | L102 E103 I114 I116 M132 V133 Y136 | L102-F106 HydrophobicContact CD1-CD1 4.03Å; L102-F106 HydrophobicContact CD1-CE1 3.59Å; L102-F106 HydrophobicContact CD1-CZ 4.19Å; L102-F106 HydrophobicContact CD2-CE1 4.17Å; L102-F106 HydrophobicContact CD2-CE2 4.4Å; L102-F106 HydrophobicContact CD2-CZ 3.92Å; L102-F106 HydrophobicContact CG-CD1 4.12Å; L102-F106 HydrophobicContact CG-CE1 3.81Å; L102-F106 HydrophobicContact CG-CZ 4.04Å; L102-F106 PolarHBondContact O-N 3.23Å; E103-F106 PolarHBondContact O-N 2.81Å; F106-I114 HydrophobicContact CD1-CD1 3.81Å; F106-I114 HydrophobicContact CE1-CD1 3.73Å; F106-I116 HydrophobicContact CE1-CD1 4.11Å; F106-I116 HydrophobicContact CZ-CD1 3.82Å; F106-M132 HydrophobicContact CD2-CB 3.81Å; F106-M132 HydrophobicContact CE2-CB 3.72Å; F106-V133 HydrophobicContact CE2-CG2 4.01Å; F106-V133 HydrophobicContact CZ-CG2 4.08Å; F106-Y136 HydrophobicContact CB-CD1 4.07Å; F106-Y136 HydrophobicContact CB-CD2 4.16Å; F106-Y136 HydrophobicContact CB-CE1 4.44Å; F106-Y136 HydrophobicContact CB-CG 3.94Å; F106-Y136 AromaticContact CD2-CD2 3.93Å; F106-Y136 HydrophobicContact CD2-CD2 3.93Å; F106-Y136 HydrophobicContact CD2-CG 4.11Å |
| 107 | Q | 89.4 | Confident | 91.1 | Very high | 118 Ų | 118 | 30.6 Ų | 30.6 | 55% | 0.551 | 14% | 0.14 | S | C | * | . | H | α-helix | trans | -68.2 | -46.4 | 172.4 | -73.9 | 170.7 | 6.2 | 0 | 0 | 112.2 | E103 E104 I105 Y136 | E103-Q107 WeakPolarHBondContact O-CB 3.48Å; E103-Q107 VanDerWaalsContact O-CG 3.26Å; E103-Q107 WeakPolarHBondContact O-CG 3.44Å; E103-Q107 PolarHBondContact O-N 3.28Å; E104-Q107 PolarHBondContact O-N 3.12Å; I105-Q107 VanDerWaalsContact C-N 3.27Å; I105-Q107 PolarHBondContact O-N 2.8Å; Q107-Y136 HydrophobicContact CG-CE1 3.55Å; Q107-Y136 PolarHBondContact NE2-OH 2.83Å |
| 108 | S | 85.1 | Confident | 91.2 | Very high | 60 Ų | 60 | 29.3 Ų | 29.3 | 42% | 0.42 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -72.9 | -31.1 | -178.1 | -60.9 | 0 | 0 | 0 | 0 | 114.5 | E104 I105 | E104-S108 PolarHBondContact O-N 2.92Å; E104-S108 PolarHBondContact O-OG 3.01Å; I105-S108 PolarHBondContact O-N 3.45Å |
| 109 | L | 81.2 | Confident | 91.1 | Very high | 11 Ų | 11 | 28.8 Ų | 28.8 | 6% | 0.058 | 14% | 0.135 | C | C | . | . | trans | -129.9 | 55.7 | -168.6 | -69.2 | 172.1 | 0 | 0 | 0 | 112.2 | V22 L23 A26 I105 Y111 L112 R138 | V22-L109 HydrophobicContact CB-CD1 3.99Å; V22-L109 HydrophobicContact CG1-CD1 3.34Å; L23-L109 HydrophobicContact CD2-CD1 4.17Å; L23-L109 HydrophobicContact CD2-CD2 4.05Å; L23-L109 HydrophobicContact CD2-CG 4.07Å; A26-L109 HydrophobicContact CB-CD1 4.42Å; A26-L109 HydrophobicContact CB-CD2 3.91Å; I105-L109 PolarHBondContact O-N 3.2Å; L109-Y111 PolarHBondContact O-N 3.25Å; L109-Y111 VanDerWaalsContact O-N 3.1Å; L109-L112 HydrophobicContact CB-CB 4.33Å; L109-L112 HydrophobicContact CD1-CD2 4.05Å; L109-R138 PolarHBondContact O-NH1 2.86Å | ||
| 110 | R | 76.2 | Confident | 91 | Very high | 105 Ų | 105 | 30.1 Ų | 30.1 | 40% | 0.396 | 14% | 0.141 | S | C | . | . | S | Bend | trans | -52.5 | -35.6 | -174.9 | -167.3 | 172.5 | -166.9 | -168.7 | 0.7 | 114.7 | E137 R138 | R110-E137 IonicContact CZ-OE1 2.69Å; R110-E137 IonicContact NH2-OE1 3.59Å; R110-E137 PolarHBondContact NH2-OE1 2.81Å; R110-R138 PolarHBondContact O-NH1 3.03Å |
| 111 | Y | 73.9 | Confident | 91 | Very high | 106 Ų | 106 | 33.5 Ų | 33.5 | 42% | 0.416 | 16% | 0.159 | S | C | . | . | S | Bend | trans | -100.6 | -33.5 | -172.3 | -55.4 | -62.3 | 0 | 0 | 0 | 114.6 | L109 P113 V292 V293 | L109-Y111 PolarHBondContact O-N 3.25Å; L109-Y111 VanDerWaalsContact O-N 3.1Å; Y111-P113 VanDerWaalsContact O-CD 3.24Å; Y111-P113 WeakPolarHBondContact O-CD 3.31Å; Y111-V292 HydrophobicContact CD1-CB 4.18Å; Y111-V292 HydrophobicContact CD1-CG1 3.66Å; Y111-V292 HydrophobicContact CD2-CG1 4.01Å; Y111-V292 HydrophobicContact CE1-CB 4.46Å; Y111-V292 HydrophobicContact CE1-CG1 3.54Å; Y111-V292 HydrophobicContact CE2-CG1 3.89Å; Y111-V292 HydrophobicContact CG-CB 4.4Å; Y111-V292 HydrophobicContact CG-CG1 3.9Å; Y111-V293 VanDerWaalsContact O-CG2 3.26Å; Y111-V293 WeakPolarHBondContact O-CG2 3.2Å |
| 112 | L | 85 | Confident | 90.9 | Very high | 5 Ų | 5 | 35.4 Ų | 35.4 | 3% | 0.026 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -58 | 122.8 | -179.3 | -179.6 | 68.3 | 0 | 0 | 0 | 109.3 | A26 A30 V33 L109 R138 V293 | A26-L112 HydrophobicContact CB-CD2 3.86Å; A30-L112 WeakPolarHBondContact O-CD1 3.36Å; V33-L112 HydrophobicContact CG1-CD2 3.89Å; V33-L112 HydrophobicContact CG2-CD2 3.91Å; L109-L112 HydrophobicContact CB-CB 4.33Å; L109-L112 HydrophobicContact CD1-CD2 4.05Å; L112-R138 PolarHBondContact O-NH2 3.08Å; L112-V293 HydrophobicContact CD1-CG1 4.48Å |
| 113 | P | 90.2 | Very high | 90.9 | Very high | 2 Ų | 2 | 40.2 Ų | 40.2 | 1% | 0.013 | 19% | 0.189 | C | C | . | . | trans | -52.1 | 145.6 | 171.8 | -30.2 | 35.4 | 0 | 0 | 0 | 113.2 | D31 M32 V33 Y111 S141 F287 | D31-P113 WeakPolarHBondContact O-CB 3.38Å; D31-P113 WeakPolarHBondContact O-CD 3.45Å; D31-P113 VanDerWaalsContact O-CG 3.27Å; D31-P113 WeakPolarHBondContact O-CG 3.45Å; M32-P113 WeakPolarHBondContact CA-O 3.31Å; M32-P113 HydrophobicContact CB-CB 4.17Å; M32-P113 HydrophobicContact CG-CB 3.81Å; M32-P113 WeakPolarHBondContact CG-O 3.44Å; M32-P113 HydrophobicContact SD-CB 4.39Å; V33-P113 PolarHBondContact N-O 3.46Å; Y111-P113 VanDerWaalsContact O-CD 3.24Å; Y111-P113 WeakPolarHBondContact O-CD 3.31Å; P113-S141 CarbonylContact C-O 3.6Å; P113-S141 VanDerWaalsContact CA-O 3.25Å; P113-S141 WeakPolarHBondContact CA-O 3.35Å; P113-F287 HydrophobicContact CB-CD1 4.14Å; P113-F287 HydrophobicContact CB-CE1 3.94Å; P113-F287 HydrophobicContact CG-CD1 3.88Å; P113-F287 HydrophobicContact CG-CE1 4.21Å | ||
| 114 | I | 91.9 | Very high | 91 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 131.3 | -179.1 | -65.4 | 176.9 | 0 | 0 | 0 | 109.4 | V33 L35 I105 F106 I116 S141 T142 V143 | V33-I114 HydrophobicContact CG2-CG1 3.84Å; V33-I114 CarbonylContact O-C 3.54Å; V33-I114 WeakPolarHBondContact O-CA 3.35Å; L35-I114 HydrophobicContact CB-CG2 4.4Å; L35-I114 HydrophobicContact CD1-CD1 4.18Å; L35-I114 HydrophobicContact CD1-CG2 3.49Å; L35-I114 VanDerWaalsContact CD1-CG2 3.49Å; L35-I114 HydrophobicContact CG-CG2 3.96Å; I105-I114 HydrophobicContact CG2-CD1 4.13Å; F106-I114 HydrophobicContact CD1-CD1 3.81Å; F106-I114 HydrophobicContact CE1-CD1 3.73Å; I114-I116 HydrophobicContact CG2-CD1 4.05Å; I114-I116 HydrophobicContact CG2-CG1 3.56Å; I114-S141 PolarHBondContact N-O 3.04Å; I114-T142 CarbonylContact O-C 3.59Å; I114-T142 VanDerWaalsContact O-CA 3.26Å; I114-T142 WeakPolarHBondContact O-CA 3.36Å; I114-V143 PolarHBondContact O-N 3.47Å |
| 115 | N | 94 | Very high | 91.2 | Very high | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 138.4 | 164.1 | -170.6 | 13.7 | 0 | 0 | 0 | 109.6 | M32 V33 E34 L35 V143 F165 E194 M265 | M32-N115 HydrophobicContact CE-CB 3.56Å; M32-N115 HydrophobicContact SD-CB 4.02Å; V33-N115 PolarHBondContact O-N 3.31Å; E34-N115 CarbonylContact C-O 3.59Å; E34-N115 WeakPolarHBondContact CA-O 3.49Å; E34-N115 HydrophobicContact CB-CB 4.46Å; L35-N115 PolarHBondContact N-O 3.07Å; N115-V143 CarbonylContact C-O 3.54Å; N115-V143 WeakPolarHBondContact CA-O 3.45Å; N115-V143 HydrophobicContact CB-CB 4.34Å; N115-V143 PolarHBondContact OD1-O 3.08Å; N115-F165 VanDerWaalsContact OD1-CD1 3.26Å; N115-F165 WeakPolarHBondContact OD1-CD1 2.75Å; N115-F165 WeakPolarHBondContact OD1-CE1 3.49Å; N115-E194 PolarHBondContact ND2-OE1 3.2Å; N115-E194 VanDerWaalsContact ND2-OE1 3.12Å; N115-E194 PolarHBondContact ND2-OE2 3.34Å; N115-M265 WeakPolarHBondContact ND2-CE 3.26Å |
| 116 | I | 95.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 112.5 | -174.1 | -54.5 | -176.7 | 0 | 0 | 0 | 110.9 | L35 C37 L102 F106 I114 I118 V129 T142 V143 W144 G145 | L35-I116 VanDerWaalsContact O-CA 3.32Å; L35-I116 WeakPolarHBondContact O-CA 3.25Å; C37-I116 HydrophobicContact CB-CG2 4.02Å; C37-I116 VanDerWaalsContact SG-CG2 3.52Å; L102-I116 HydrophobicContact CD1-CD1 4.45Å; L102-I116 HydrophobicContact CD2-CD1 4.31Å; F106-I116 HydrophobicContact CE1-CD1 4.11Å; F106-I116 HydrophobicContact CZ-CD1 3.82Å; I114-I116 HydrophobicContact CG2-CD1 4.05Å; I114-I116 HydrophobicContact CG2-CG1 3.56Å; I116-I118 HydrophobicContact CG2-CD1 3.7Å; I116-I118 HydrophobicContact CG2-CG1 4.47Å; I116-V129 HydrophobicContact CD1-CG1 4.21Å; I116-T142 HydrophobicContact CD1-CG2 3.85Å; I116-T142 HydrophobicContact CG1-CG2 4.2Å; I116-V143 PolarHBondContact N-O 2.96Å; I116-W144 HydrophobicContact CB-CB 4.23Å; I116-W144 CarbonylContact O-C 3.37Å; I116-W144 VanDerWaalsContact O-CA 3.25Å; I116-W144 WeakPolarHBondContact O-CA 3.47Å; I116-G145 PolarHBondContact O-N 3.49Å |
| 117 | D | 95.7 | Very high | 91.7 | Very high | 25 Ų | 25 | 44.6 Ų | 44.6 | 13% | 0.134 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 118.2 | 166.3 | -169.2 | 1.4 | 0 | 0 | 0 | 110.7 | L35 C37 K119 N146 F165 | L35-D117 PolarHBondContact O-N 2.87Å; C37-D117 PolarHBondContact N-O 3.08Å; D117-K119 HydrophobicContact CB-CD 4.44Å; D117-K119 PolarHBondContact O-N 3.36Å; D117-K119 WeakPolarHBondContact OD2-CD 3.37Å; D117-K119 WeakPolarHBondContact OD2-CE 3.32Å; D117-K119 IonicContact OD2-NZ 2.69Å; D117-K119 PolarHBondContact OD2-NZ 3.09Å; D117-N146 WeakPolarHBondContact OD1-CA 3.25Å; D117-N146 WeakPolarHBondContact OD1-CB 3.39Å; D117-N146 PolarHBondContact OD1-ND2 3.43Å; D117-F165 HydrophobicContact CB-CZ 4.31Å |
| 118 | I | 97.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 88.6 | 176.3 | -55.7 | -64.3 | 0 | 0 | 0 | 108.3 | C37 I116 Q120 L125 I126 V129 G145 N146 I151 L155 | C37-I118 HydrophobicContact CB-CD1 4.28Å; I116-I118 HydrophobicContact CG2-CD1 3.7Å; I116-I118 HydrophobicContact CG2-CG1 4.47Å; I118-Q120 PolarHBondContact O-N 3.48Å; I118-Q120 VanDerWaalsContact O-N 3.17Å; I118-L125 HydrophobicContact CG2-CD2 3.88Å; I118-L125 HydrophobicContact CG2-CG 4.21Å; I118-I126 HydrophobicContact CG2-CG1 3.91Å; I118-V129 HydrophobicContact CD1-CB 4.23Å; I118-V129 HydrophobicContact CD1-CG1 4.1Å; I118-V129 HydrophobicContact CD1-CG2 3.9Å; I118-G145 PolarHBondContact N-O 3.42Å; I118-N146 PolarHBondContact O-ND2 3.45Å; I118-I151 HydrophobicContact CB-CG2 4.02Å; I118-I151 HydrophobicContact CG2-CG2 4.02Å; I118-L155 HydrophobicContact CG1-CD1 4.06Å; I118-L155 HydrophobicContact CG1-CD2 4.15Å |
| 119 | K | 94.5 | Very high | 92.8 | Very high | 49 Ų | 49 | 38.4 Ų | 38.4 | 21% | 0.213 | 18% | 0.175 | C | C | . | . | trans | -65.3 | -18.9 | -171.4 | -63.5 | -65.2 | -171.1 | -161.8 | 0 | 115.4 | D36 C37 H49 D117 | D36-K119 HydrophobicContact CB-CG 4.24Å; D36-K119 WeakPolarHBondContact OD1-CE 3.33Å; D36-K119 IonicContact OD1-NZ 3.86Å; D36-K119 PolarHBondContact OD1-NZ 3.15Å; C37-K119 PolarHBondContact O-N 3.16Å; H49-K119 PolarHBondContact CD2-NZ 3.38Å; H49-K119 PolarHBondContact NE2-NZ 2.79Å; D117-K119 HydrophobicContact CB-CD 4.44Å; D117-K119 PolarHBondContact O-N 3.36Å; D117-K119 WeakPolarHBondContact OD2-CD 3.37Å; D117-K119 WeakPolarHBondContact OD2-CE 3.32Å; D117-K119 IonicContact OD2-NZ 2.69Å; D117-K119 PolarHBondContact OD2-NZ 3.09Å | ||
| 120 | Q | 93.4 | Very high | 93.6 | Very high | 31 Ų | 31 | 38.7 Ų | 38.7 | 15% | 0.145 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -118.7 | 135.7 | -177.4 | -70.5 | 167.8 | -23 | 0 | 0 | 111.7 | Q38 D51 I118 E122 L125 | Q38-Q120 VanDerWaalsContact OE1-NE2 3.15Å; D51-Q120 PolarHBondContact OD2-NE2 2.91Å; I118-Q120 PolarHBondContact O-N 3.48Å; I118-Q120 VanDerWaalsContact O-N 3.17Å; Q120-E122 HydrophobicContact CB-CB 4.16Å; Q120-E122 PolarHBondContact O-N 2.75Å; Q120-L125 HydrophobicContact CB-CD2 3.82Å |
| 121 | N | 96.3 | Very high | 94.7 | Very high | 72 Ų | 72 | 37.6 Ų | 37.6 | 39% | 0.385 | 17% | 0.172 | S | C | . | . | trans | -78.4 | 53.5 | 173.4 | -165.3 | -13.7 | 0 | 0 | 0 | 111.8 | I151 K154 | N121-I151 HydrophobicContact CB-CD1 3.83Å; N121-I151 HydrophobicContact CB-CG1 3.81Å; N121-K154 WeakPolarHBondContact OD1-CE 3.29Å; N121-K154 PolarHBondContact OD1-NZ 3.47Å | ||
| 122 | E | 96.1 | Very high | 95.8 | Very high | 71 Ų | 71 | 32.8 Ų | 32.8 | 33% | 0.332 | 15% | 0.154 | S | C | . | . | trans | -115.9 | 135.9 | -172.1 | -154.5 | -62 | 113.4 | 0 | 0 | 109.7 | L39 Q120 L124 L125 I126 | L39-E122 WeakPolarHBondContact CD2-OE2 3.22Å; Q120-E122 HydrophobicContact CB-CB 4.16Å; Q120-E122 PolarHBondContact O-N 2.75Å; E122-L124 VanDerWaalsContact CD-N 3.32Å; E122-L124 PolarHBondContact OE1-N 3.45Å; E122-L124 VanDerWaalsContact OE2-CA 3.23Å; E122-L124 WeakPolarHBondContact OE2-CA 3.47Å; E122-L124 WeakPolarHBondContact OE2-CB 3.39Å; E122-L124 PolarHBondContact OE2-N 2.9Å; E122-L125 HydrophobicContact CB-CB 4.29Å; E122-L125 PolarHBondContact OE2-N 3.45Å; E122-I126 WeakPolarHBondContact O-CD1 3.1Å; E122-I126 VanDerWaalsContact O-CG1 3.29Å; E122-I126 WeakPolarHBondContact O-CG1 3.4Å; E122-I126 PolarHBondContact O-N 3.16Å | ||
| 123 | E | 97.3 | Very high | 96.3 | Very high | 101 Ų | 101 | 32.5 Ų | 32.5 | 47% | 0.472 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -78.7 | -34.4 | -172 | -79.4 | -166.5 | -158.1 | 0 | 0 | 114.5 | K127 | E123-K127 WeakPolarHBondContact O-CB 3.47Å; E123-K127 VanDerWaalsContact O-CD 3.27Å; E123-K127 WeakPolarHBondContact O-CD 3.26Å; E123-K127 WeakPolarHBondContact O-CG 3.31Å; E123-K127 PolarHBondContact O-N 3.03Å; E123-K127 IonicContact OE2-NZ 3.23Å; E123-K127 PolarHBondContact OE2-NZ 3.43Å |
| 124 | L | 98 | Very high | 96.6 | Very high | 77 Ų | 77 | 36.4 Ų | 36.4 | 40% | 0.403 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -67.8 | -40.6 | 175.6 | 179.6 | 61 | 0 | 0 | 0 | 110.6 | L39 E122 K127 E128 | L39-L124 HydrophobicContact CD2-CB 4.1Å; L39-L124 HydrophobicContact CD2-CD2 4.14Å; L39-L124 HydrophobicContact CD2-CG 4.16Å; E122-L124 VanDerWaalsContact CD-N 3.32Å; E122-L124 PolarHBondContact OE1-N 3.45Å; E122-L124 VanDerWaalsContact OE2-CA 3.23Å; E122-L124 WeakPolarHBondContact OE2-CA 3.47Å; E122-L124 WeakPolarHBondContact OE2-CB 3.39Å; E122-L124 PolarHBondContact OE2-N 2.9Å; L124-K127 PolarHBondContact O-N 3.28Å; L124-E128 HydrophobicContact CD1-CG 3.9Å; L124-E128 HydrophobicContact CG-CG 4.34Å; L124-E128 WeakPolarHBondContact O-CB 3.13Å; L124-E128 WeakPolarHBondContact O-CG 3.38Å; L124-E128 PolarHBondContact O-N 2.75Å |
| 125 | L | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -55.2 | -54.2 | 171.8 | 178.5 | 58.2 | 0 | 0 | 0 | 111.5 | C37 L39 V45 I118 Q120 E122 K127 E128 V129 | C37-L125 HydrophobicContact CB-CD1 4.43Å; L39-L125 HydrophobicContact CB-CB 4.2Å; L39-L125 HydrophobicContact CB-CD1 4.29Å; L39-L125 HydrophobicContact CD1-CB 4.37Å; L39-L125 HydrophobicContact CD1-CD1 4.31Å; L39-L125 HydrophobicContact CD2-CB 4.42Å; V45-L125 HydrophobicContact CB-CD1 4.36Å; V45-L125 HydrophobicContact CG1-CD1 3.8Å; V45-L125 HydrophobicContact CG2-CD1 3.89Å; I118-L125 HydrophobicContact CG2-CD2 3.88Å; I118-L125 HydrophobicContact CG2-CG 4.21Å; Q120-L125 HydrophobicContact CB-CD2 3.82Å; E122-L125 HydrophobicContact CB-CB 4.29Å; E122-L125 PolarHBondContact OE2-N 3.45Å; L125-K127 VanDerWaalsContact C-N 3.3Å; L125-K127 PolarHBondContact O-N 3.29Å; L125-E128 PolarHBondContact O-N 3Å; L125-V129 HydrophobicContact CD1-CG2 4.08Å; L125-V129 WeakPolarHBondContact O-CG2 3.45Å; L125-V129 PolarHBondContact O-N 2.87Å |
| 126 | I | 98.3 | Very high | 96.7 | Very high | 5 Ų | 5 | 43.4 Ų | 43.4 | 3% | 0.026 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.2 | -40.8 | 179.3 | -69.9 | 167.3 | 0 | 0 | 0 | 111.2 | I118 E122 N130 I151 K154 L155 L158 | I118-I126 HydrophobicContact CG2-CG1 3.91Å; E122-I126 WeakPolarHBondContact O-CD1 3.1Å; E122-I126 VanDerWaalsContact O-CG1 3.29Å; E122-I126 WeakPolarHBondContact O-CG1 3.4Å; E122-I126 PolarHBondContact O-N 3.16Å; I126-N130 WeakPolarHBondContact O-CB 3.27Å; I126-N130 PolarHBondContact O-N 2.88Å; I126-I151 HydrophobicContact CD1-CG2 4.4Å; I126-K154 HydrophobicContact CD1-CB 3.94Å; I126-K154 HydrophobicContact CD1-CD 3.8Å; I126-L155 HydrophobicContact CG1-CD2 4.23Å; I126-L155 HydrophobicContact CG2-CD2 3.84Å; I126-L158 HydrophobicContact CG2-CD2 3.57Å |
| 127 | K | 98.4 | Very high | 96.6 | Very high | 97 Ų | 97 | 50.5 Ų | 50.5 | 42% | 0.422 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -70 | -41.2 | 178.8 | -73.1 | 163.8 | -164.8 | 164.1 | 0 | 112.9 | E123 L124 L125 N130 R131 L158 | E123-K127 WeakPolarHBondContact O-CB 3.47Å; E123-K127 VanDerWaalsContact O-CD 3.27Å; E123-K127 WeakPolarHBondContact O-CD 3.26Å; E123-K127 WeakPolarHBondContact O-CG 3.31Å; E123-K127 PolarHBondContact O-N 3.03Å; E123-K127 IonicContact OE2-NZ 3.23Å; E123-K127 PolarHBondContact OE2-NZ 3.43Å; L124-K127 PolarHBondContact O-N 3.28Å; L125-K127 VanDerWaalsContact C-N 3.3Å; L125-K127 PolarHBondContact O-N 3.29Å; K127-N130 PolarHBondContact O-N 3.26Å; K127-R131 WeakPolarHBondContact O-CB 3.2Å; K127-R131 PolarHBondContact O-N 3.37Å; K127-L158 HydrophobicContact CG-CD2 4.35Å |
| 128 | E | 98.4 | Very high | 96.4 | Very high | 48 Ų | 48 | 49.3 Ų | 49.3 | 22% | 0.224 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -71.1 | -40.1 | 178.8 | -75 | -58.4 | 124.8 | 0 | 0 | 112.2 | V45 L124 L125 R131 M132 | V45-E128 HydrophobicContact CG2-CB 3.63Å; L124-E128 HydrophobicContact CD1-CG 3.9Å; L124-E128 HydrophobicContact CG-CG 4.34Å; L124-E128 WeakPolarHBondContact O-CB 3.13Å; L124-E128 WeakPolarHBondContact O-CG 3.38Å; L124-E128 PolarHBondContact O-N 2.75Å; L125-E128 PolarHBondContact O-N 3Å; E128-R131 PolarHBondContact O-N 2.85Å; E128-R131 IonicContact OE1-NE 3.72Å; E128-R131 IonicContact OE2-CZ 3.19Å; E128-R131 VanDerWaalsContact OE2-CZ 3.23Å; E128-R131 IonicContact OE2-NE 2.83Å; E128-R131 PolarHBondContact OE2-NE 2.86Å; E128-R131 IonicContact OE2-NH2 2.89Å; E128-R131 PolarHBondContact OE2-NH2 3.18Å; E128-M132 HydrophobicContact CB-CE 4.46Å; E128-M132 VanDerWaalsContact O-CE 3.26Å; E128-M132 WeakPolarHBondContact O-CE 3.4Å; E128-M132 WeakPolarHBondContact O-CG 3.16Å; E128-M132 PolarHBondContact O-N 2.92Å |
| 129 | V | 98.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.2 | -47.1 | 171.2 | 176.4 | 0 | 0 | 0 | 0 | 110.3 | V45 L102 I116 I118 L125 R131 M132 V133 W144 | V45-V129 HydrophobicContact CG1-CG2 3.87Å; V45-V129 HydrophobicContact CG2-CG2 4.27Å; L102-V129 HydrophobicContact CD2-CG1 4.25Å; L102-V129 HydrophobicContact CD2-CG2 4Å; I116-V129 HydrophobicContact CD1-CG1 4.21Å; I118-V129 HydrophobicContact CD1-CB 4.23Å; I118-V129 HydrophobicContact CD1-CG1 4.1Å; I118-V129 HydrophobicContact CD1-CG2 3.9Å; L125-V129 HydrophobicContact CD1-CG2 4.08Å; L125-V129 WeakPolarHBondContact O-CG2 3.45Å; L125-V129 PolarHBondContact O-N 2.87Å; V129-R131 PolarHBondContact O-N 3.27Å; V129-M132 PolarHBondContact O-N 3.49Å; V129-V133 HydrophobicContact CG1-CG2 4.25Å; V129-V133 WeakPolarHBondContact O-CG2 3.16Å; V129-V133 PolarHBondContact O-N 2.84Å; V129-W144 HydrophobicContact CG1-CE3 4.02Å; V129-W144 HydrophobicContact CG1-CZ3 4.21Å |
| 130 | N | 98.4 | Very high | 96 | Very high | 17 Ų | 17 | 54 Ų | 54 | 9% | 0.091 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.1 | -39.5 | 176.3 | -179.5 | 64.5 | 0 | 0 | 0 | 113.1 | I126 K127 M132 V133 I134 W144 L158 N159 | I126-N130 WeakPolarHBondContact O-CB 3.27Å; I126-N130 PolarHBondContact O-N 2.88Å; K127-N130 PolarHBondContact O-N 3.26Å; N130-M132 VanDerWaalsContact C-N 3.35Å; N130-M132 PolarHBondContact O-N 3.17Å; N130-V133 PolarHBondContact O-N 3.27Å; N130-I134 WeakPolarHBondContact ND2-CD1 3.37Å; N130-I134 WeakPolarHBondContact O-CG1 3.44Å; N130-I134 PolarHBondContact O-N 3.25Å; N130-W144 HydrophobicContact CB-CH2 3.82Å; N130-W144 HydrophobicContact CB-CZ3 3.89Å; N130-L158 HydrophobicContact CB-CD2 3.6Å; N130-L158 HydrophobicContact CB-CG 4.26Å; N130-N159 WeakPolarHBondContact OD1-CB 3.5Å; N130-N159 PolarHBondContact OD1-ND2 3.08Å |
| 131 | R | 98.2 | Very high | 95.9 | Very high | 83 Ų | 83 | 53.5 Ų | 53.5 | 31% | 0.313 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -55.9 | -51.7 | 173.8 | 179.6 | -174.1 | 62.5 | 77.9 | -0.4 | 110 | K127 E128 V129 I134 E135 | K127-R131 WeakPolarHBondContact O-CB 3.2Å; K127-R131 PolarHBondContact O-N 3.37Å; E128-R131 PolarHBondContact O-N 2.85Å; E128-R131 IonicContact OE1-NE 3.72Å; E128-R131 IonicContact OE2-CZ 3.19Å; E128-R131 VanDerWaalsContact OE2-CZ 3.23Å; E128-R131 IonicContact OE2-NE 2.83Å; E128-R131 PolarHBondContact OE2-NE 2.86Å; E128-R131 IonicContact OE2-NH2 2.89Å; E128-R131 PolarHBondContact OE2-NH2 3.18Å; V129-R131 PolarHBondContact O-N 3.27Å; R131-I134 PolarHBondContact O-N 2.9Å; R131-E135 IonicContact CZ-OE2 2.73Å; R131-E135 IonicContact NH1-OE2 3.58Å; R131-E135 PolarHBondContact NH1-OE2 2.82Å; R131-E135 VanDerWaalsContact O-CB 3.23Å; R131-E135 WeakPolarHBondContact O-CB 3.38Å; R131-E135 PolarHBondContact O-N 2.98Å |
| 132 | M | 97.1 | Very high | 95.8 | Very high | 4 Ų | 4 | 50 Ų | 50 | 2% | 0.02 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.1 | -39.3 | 179.8 | -68.6 | -179.4 | -76.1 | 0 | 0 | 112.2 | V45 L102 E103 F106 E128 V129 N130 I134 E135 Y136 | V45-M132 HydrophobicContact CB-CE 3.77Å; V45-M132 HydrophobicContact CG1-CE 4.25Å; V45-M132 HydrophobicContact CG2-CE 3.67Å; L102-M132 HydrophobicContact CB-CE 4.33Å; L102-M132 HydrophobicContact CD2-CE 3.87Å; L102-M132 HydrophobicContact CG-CE 4.47Å; E103-M132 HydrophobicContact CB-SD 3.81Å; E103-M132 HydrophobicContact CG-SD 4.48Å; F106-M132 HydrophobicContact CD2-CB 3.81Å; F106-M132 HydrophobicContact CE2-CB 3.72Å; E128-M132 HydrophobicContact CB-CE 4.46Å; E128-M132 VanDerWaalsContact O-CE 3.26Å; E128-M132 WeakPolarHBondContact O-CE 3.4Å; E128-M132 WeakPolarHBondContact O-CG 3.16Å; E128-M132 PolarHBondContact O-N 2.92Å; V129-M132 PolarHBondContact O-N 3.49Å; N130-M132 VanDerWaalsContact C-N 3.35Å; N130-M132 PolarHBondContact O-N 3.17Å; M132-I134 VanDerWaalsContact C-N 3.29Å; M132-I134 PolarHBondContact O-N 3.01Å; M132-E135 PolarHBondContact O-N 2.95Å; M132-Y136 HydrophobicContact CB-CD2 4.26Å; M132-Y136 WeakPolarHBondContact O-CB 3.05Å; M132-Y136 VanDerWaalsContact O-CD2 3.3Å; M132-Y136 WeakPolarHBondContact O-CD2 3.4Å; M132-Y136 PolarHBondContact O-N 3.29Å |
| 133 | V | 96 | Very high | 95.7 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.8 | -38.6 | 175.8 | 169.1 | 0 | 0 | 0 | 0 | 111.5 | F106 V129 N130 R138 E139 T142 V162 | F106-V133 HydrophobicContact CE2-CG2 4.01Å; F106-V133 HydrophobicContact CZ-CG2 4.08Å; V129-V133 HydrophobicContact CG1-CG2 4.25Å; V129-V133 WeakPolarHBondContact O-CG2 3.16Å; V129-V133 PolarHBondContact O-N 2.84Å; N130-V133 PolarHBondContact O-N 3.27Å; V133-R138 HydrophobicContact CG1-CB 4.22Å; V133-R138 PolarHBondContact O-N 3.45Å; V133-E139 HydrophobicContact CG1-CG 4.17Å; V133-T142 HydrophobicContact CG2-CG2 4.01Å; V133-V162 HydrophobicContact CG1-CG2 3.77Å |
| 134 | I | 96 | Very high | 95.7 | Very high | 84 Ų | 84 | 41.9 Ų | 41.9 | 43% | 0.431 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -72.5 | -48.7 | 175.3 | -66.1 | 169.8 | 0 | 0 | 0 | 111.1 | N130 R131 M132 Y136 E137 E139 | N130-I134 WeakPolarHBondContact ND2-CD1 3.37Å; N130-I134 WeakPolarHBondContact O-CG1 3.44Å; N130-I134 PolarHBondContact O-N 3.25Å; R131-I134 PolarHBondContact O-N 2.9Å; M132-I134 VanDerWaalsContact C-N 3.29Å; M132-I134 PolarHBondContact O-N 3.01Å; I134-Y136 PolarHBondContact O-N 2.88Å; I134-E137 PolarHBondContact O-N 2.98Å; I134-E137 VanDerWaalsContact O-N 3.12Å; I134-E139 HydrophobicContact CG1-CG 4.45Å |
| 135 | E | 95.2 | Very high | 95.7 | Very high | 111 Ų | 111 | 38.2 Ų | 38.2 | 52% | 0.519 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -64.6 | -36.2 | -173.8 | -173.9 | 170 | 168.1 | 0 | 0 | 113.1 | R131 M132 E137 | R131-E135 IonicContact CZ-OE2 2.73Å; R131-E135 IonicContact NH1-OE2 3.58Å; R131-E135 PolarHBondContact NH1-OE2 2.82Å; R131-E135 VanDerWaalsContact O-CB 3.23Å; R131-E135 WeakPolarHBondContact O-CB 3.38Å; R131-E135 PolarHBondContact O-N 2.98Å; M132-E135 PolarHBondContact O-N 2.95Å; E135-E137 VanDerWaalsContact C-N 3.34Å |
| 136 | Y | 93.8 | Very high | 95.6 | Very high | 37 Ų | 37 | 38.9 Ų | 38.9 | 15% | 0.145 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91 | 7.5 | 176.8 | -68.7 | -91.6 | 0 | 0 | 0 | 113.4 | E103 F106 Q107 M132 I134 | E103-Y136 HydrophobicContact CG-CE2 4.21Å; E103-Y136 VanDerWaalsContact CG-OH 3.31Å; E103-Y136 WeakPolarHBondContact CG-OH 3.11Å; E103-Y136 PolarHBondContact OE1-OH 3.4Å; F106-Y136 HydrophobicContact CB-CD1 4.07Å; F106-Y136 HydrophobicContact CB-CD2 4.16Å; F106-Y136 HydrophobicContact CB-CE1 4.44Å; F106-Y136 HydrophobicContact CB-CG 3.94Å; F106-Y136 AromaticContact CD2-CD2 3.93Å; F106-Y136 HydrophobicContact CD2-CD2 3.93Å; F106-Y136 HydrophobicContact CD2-CG 4.11Å; Q107-Y136 HydrophobicContact CG-CE1 3.55Å; Q107-Y136 PolarHBondContact NE2-OH 2.83Å; M132-Y136 HydrophobicContact CB-CD2 4.26Å; M132-Y136 WeakPolarHBondContact O-CB 3.05Å; M132-Y136 VanDerWaalsContact O-CD2 3.3Å; M132-Y136 WeakPolarHBondContact O-CD2 3.4Å; M132-Y136 PolarHBondContact O-N 3.29Å; I134-Y136 PolarHBondContact O-N 2.88Å |
| 137 | E | 93.3 | Very high | 95.4 | Very high | 148 Ų | 148 | 45.5 Ų | 45.5 | 69% | 0.692 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.9 | 40.7 | 178.7 | -58.7 | 177.9 | -113.1 | 0 | 0 | 114.5 | R110 I134 E135 | R110-E137 IonicContact CZ-OE1 2.69Å; R110-E137 IonicContact NH2-OE1 3.59Å; R110-E137 PolarHBondContact NH2-OE1 2.81Å; I134-E137 PolarHBondContact O-N 2.98Å; I134-E137 VanDerWaalsContact O-N 3.12Å; E135-E137 VanDerWaalsContact C-N 3.34Å |
| 138 | R | 92.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 21% | 0.207 | C | C | . | . | trans | -101.8 | 7.7 | -170.6 | -55.9 | -168.4 | 61.8 | 96.3 | 19 | 115.8 | L109 R110 L112 V133 E140 S141 T142 | L109-R138 PolarHBondContact O-NH1 2.86Å; R110-R138 PolarHBondContact O-NH1 3.03Å; L112-R138 PolarHBondContact O-NH2 3.08Å; V133-R138 HydrophobicContact CG1-CB 4.22Å; V133-R138 PolarHBondContact O-N 3.45Å; R138-E140 PolarHBondContact O-N 3.25Å; R138-E140 VanDerWaalsContact O-N 3.07Å; R138-S141 CarbonylContact O-C 3.55Å; R138-S141 PolarHBondContact O-N 3.05Å; R138-T142 PolarHBondContact NE-OG1 3.1Å; R138-T142 WeakPolarHBondContact O-CB 3.29Å; R138-T142 PolarHBondContact O-N 3.44Å | ||
| 139 | E | 93.1 | Very high | 95.2 | Very high | 41 Ų | 41 | 42.8 Ų | 42.8 | 19% | 0.192 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -28.6 | -174.4 | -62.1 | -175.8 | 124.2 | 0 | 0 | 114.1 | V133 I134 N159 K161 | V133-E139 HydrophobicContact CG1-CG 4.17Å; I134-E139 HydrophobicContact CG1-CG 4.45Å; E139-N159 PolarHBondContact OE1-ND2 2.77Å; E139-K161 HydrophobicContact CB-CB 4.47Å; E139-K161 VanDerWaalsContact CD-CD 3.41Å; E139-K161 WeakPolarHBondContact OE1-CD 3.12Å; E139-K161 IonicContact OE1-NZ 3.81Å; E139-K161 PolarHBondContact OE1-NZ 3.12Å; E139-K161 VanDerWaalsContact OE2-CD 3.3Å; E139-K161 WeakPolarHBondContact OE2-CD 3.27Å; E139-K161 IonicContact OE2-NZ 2.74Å; E139-K161 PolarHBondContact OE2-NZ 3.31Å |
| 140 | E | 90.6 | Very high | 95.2 | Very high | 106 Ų | 106 | 45.9 Ų | 45.9 | 50% | 0.495 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | -13.4 | 177.1 | -60.7 | -176 | 159.9 | 0 | 0 | 113.9 | R138 R289 | R138-E140 PolarHBondContact O-N 3.25Å; R138-E140 VanDerWaalsContact O-N 3.07Å; E140-R289 IonicContact OE2-NE 2.98Å; E140-R289 IonicContact OE2-NH2 3.69Å |
| 141 | S | 90.2 | Very high | 95.2 | Very high | 21 Ų | 21 | 45.3 Ų | 45.3 | 15% | 0.147 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.9 | 9.9 | -175.6 | 65.3 | 0 | 0 | 0 | 0 | 113.6 | P113 I114 R138 | P113-S141 CarbonylContact C-O 3.6Å; P113-S141 VanDerWaalsContact CA-O 3.25Å; P113-S141 WeakPolarHBondContact CA-O 3.35Å; I114-S141 PolarHBondContact N-O 3.04Å; R138-S141 CarbonylContact O-C 3.55Å; R138-S141 PolarHBondContact O-N 3.05Å |
| 142 | T | 93.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 129.5 | 172.6 | -73.9 | 0 | 0 | 0 | 0 | 110.7 | I114 I116 V133 R138 V162 H163 | I114-T142 CarbonylContact O-C 3.59Å; I114-T142 VanDerWaalsContact O-CA 3.26Å; I114-T142 WeakPolarHBondContact O-CA 3.36Å; I116-T142 HydrophobicContact CD1-CG2 3.85Å; I116-T142 HydrophobicContact CG1-CG2 4.2Å; V133-T142 HydrophobicContact CG2-CG2 4.01Å; R138-T142 PolarHBondContact NE-OG1 3.1Å; R138-T142 WeakPolarHBondContact O-CB 3.29Å; R138-T142 PolarHBondContact O-N 3.44Å; T142-V162 HydrophobicContact CG2-CG1 3.92Å; T142-V162 WeakPolarHBondContact O-CG1 3.37Å; T142-H163 PolarHBondContact O-N 3.18Å |
| 143 | V | 95.1 | Very high | 95.1 | Very high | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.006 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 142.4 | 160.3 | -169.2 | 0 | 0 | 0 | 0 | 107.3 | M32 I114 N115 I116 H163 F165 F192 | M32-V143 HydrophobicContact SD-CG2 4.19Å; I114-V143 PolarHBondContact O-N 3.47Å; N115-V143 CarbonylContact C-O 3.54Å; N115-V143 WeakPolarHBondContact CA-O 3.45Å; N115-V143 HydrophobicContact CB-CB 4.34Å; N115-V143 PolarHBondContact OD1-O 3.08Å; I116-V143 PolarHBondContact N-O 2.96Å; V143-H163 CarbonylContact C-O 3.46Å; V143-H163 WeakPolarHBondContact CA-O 3.26Å; V143-H163 HydrophobicContact CB-CB 4.47Å; V143-H163 HydrophobicContact CG1-CB 4.45Å; V143-H163 HydrophobicContact CG2-CB 4.11Å; V143-F165 HydrophobicContact CG1-CB 4.3Å; V143-F165 HydrophobicContact CG1-CD1 4.12Å; V143-F192 HydrophobicContact CB-CD2 4.31Å; V143-F192 HydrophobicContact CG1-CB 3.97Å; V143-F192 HydrophobicContact CG1-CD1 4.49Å; V143-F192 HydrophobicContact CG1-CD2 3.57Å; V143-F192 HydrophobicContact CG1-CE2 4.28Å; V143-F192 HydrophobicContact CG1-CG 3.72Å; V143-F192 HydrophobicContact CG2-CD1 4.11Å; V143-F192 HydrophobicContact CG2-CD2 3.68Å; V143-F192 HydrophobicContact CG2-CE1 3.96Å; V143-F192 HydrophobicContact CG2-CE2 3.54Å; V143-F192 HydrophobicContact CG2-CG 3.99Å; V143-F192 HydrophobicContact CG2-CZ 3.69Å |
| 144 | W | 97.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 163 | 173.7 | 64.9 | 2.6 | 0 | 0 | 0 | 113.1 | I116 V129 N130 L155 N159 V162 H163 M164 F165 | I116-W144 HydrophobicContact CB-CB 4.23Å; I116-W144 CarbonylContact O-C 3.37Å; I116-W144 VanDerWaalsContact O-CA 3.25Å; I116-W144 WeakPolarHBondContact O-CA 3.47Å; V129-W144 HydrophobicContact CG1-CE3 4.02Å; V129-W144 HydrophobicContact CG1-CZ3 4.21Å; N130-W144 HydrophobicContact CB-CH2 3.82Å; N130-W144 HydrophobicContact CB-CZ3 3.89Å; W144-L155 HydrophobicContact CD2-CB 4.47Å; W144-L155 HydrophobicContact CD2-CD1 4.49Å; W144-L155 HydrophobicContact CD2-CD2 3.71Å; W144-L155 HydrophobicContact CD2-CG 4.45Å; W144-L155 HydrophobicContact CE3-CD2 3.75Å; W144-L155 HydrophobicContact CG-CD1 4.25Å; W144-L155 HydrophobicContact CG-CD2 4.29Å; W144-L155 HydrophobicContact CH2-CD2 4.11Å; W144-L155 HydrophobicContact CZ2-CB 4.17Å; W144-L155 HydrophobicContact CZ2-CD2 4.06Å; W144-L155 HydrophobicContact CZ3-CD2 3.96Å; W144-N159 HydrophobicContact CH2-CB 4.02Å; W144-N159 HydrophobicContact CZ2-CB 3.97Å; W144-V162 HydrophobicContact CD2-CB 4.15Å; W144-V162 HydrophobicContact CD2-CG1 3.62Å; W144-V162 HydrophobicContact CE3-CG1 4.24Å; W144-V162 HydrophobicContact CG-CG1 3.77Å; W144-V162 HydrophobicContact CH2-CB 4.42Å; W144-V162 HydrophobicContact CH2-CG2 4.08Å; W144-V162 HydrophobicContact CZ2-CB 3.71Å; W144-V162 HydrophobicContact CZ2-CG1 4.14Å; W144-V162 HydrophobicContact CZ2-CG2 3.8Å; W144-H163 PolarHBondContact N-O 3.39Å; W144-M164 VanDerWaalsContact O-CA 3.29Å; W144-M164 WeakPolarHBondContact O-CA 3.38Å; W144-F165 PolarHBondContact O-N 2.91Å |
| 145 | G | 97.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 168.9 | -164.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | I116 I118 N152 F165 | I116-G145 PolarHBondContact O-N 3.49Å; I118-G145 PolarHBondContact N-O 3.42Å; G145-N152 WeakPolarHBondContact CA-OD1 3.43Å; G145-F165 VanDerWaalsContact CA-CZ 3.4Å; G145-F165 VanDerWaalsContact N-CE1 3.27Å; G145-F165 WeakPolarHBondContact O-CZ 3.45Å |
| 146 | N | 96.8 | Very high | 95.4 | Very high | 14 Ų | 14 | 42.5 Ų | 42.5 | 8% | 0.075 | 20% | 0.202 | C | C | . | . | trans | -161.3 | 169.9 | 164.4 | -179.4 | -103 | 0 | 0 | 0 | 108.8 | D117 I118 D148 I151 N152 F165 S167 | D117-N146 WeakPolarHBondContact OD1-CA 3.25Å; D117-N146 WeakPolarHBondContact OD1-CB 3.39Å; D117-N146 PolarHBondContact OD1-ND2 3.43Å; I118-N146 PolarHBondContact O-ND2 3.45Å; N146-D148 VanDerWaalsContact C-N 3.28Å; N146-D148 PolarHBondContact O-N 3.31Å; N146-D148 WeakPolarHBondContact OD1-CB 3.37Å; N146-D148 PolarHBondContact OD1-N 2.99Å; N146-I151 HydrophobicContact CB-CB 4Å; N146-I151 HydrophobicContact CB-CD1 3.98Å; N146-I151 HydrophobicContact CB-CG2 3.87Å; N146-N152 PolarHBondContact N-OD1 2.77Å; N146-N152 PolarHBondContact O-ND2 3.24Å; N146-N152 PolarHBondContact O-OD1 3.21Å; N146-N152 VanDerWaalsContact O-OD1 3.12Å; N146-F165 VanDerWaalsContact N-CE2 3.28Å; N146-S167 WeakPolarHBondContact O-CA 3.36Å; N146-S167 WeakPolarHBondContact O-CB 3.39Å | ||
| 147 | E | 95 | Very high | 95.6 | Very high | 144 Ų | 144 | 47.8 Ų | 47.8 | 67% | 0.673 | 23% | 0.228 | S | C | * | . | S | Bend | trans | -65.2 | -26.1 | 172.4 | 60.5 | 161.5 | -164.5 | 0 | 0 | 114.1 | S167 A168 | E147-S167 CarbonylContact O-C 3.45Å; E147-S167 WeakPolarHBondContact O-CA 3.21Å; E147-S167 WeakPolarHBondContact O-CB 3.48Å; E147-S167 PolarHBondContact O-OG 3.34Å; E147-A168 HydrophobicContact CB-CB 4.3Å; E147-A168 PolarHBondContact O-N 3.2Å |
| 148 | D | 96.3 | Very high | 95.8 | Very high | 60 Ų | 60 | 44 Ų | 44 | 32% | 0.321 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -77.4 | 122 | 175.6 | -174 | 1.5 | 0 | 0 | 0 | 112 | N146 T150 I151 N152 | N146-D148 VanDerWaalsContact C-N 3.28Å; N146-D148 PolarHBondContact O-N 3.31Å; N146-D148 WeakPolarHBondContact OD1-CB 3.37Å; N146-D148 PolarHBondContact OD1-N 2.99Å; D148-T150 PolarHBondContact O-N 3.02Å; D148-T150 VanDerWaalsContact O-N 3.12Å; D148-T150 VanDerWaalsContact OD1-CB 3.27Å; D148-T150 WeakPolarHBondContact OD1-CB 3.25Å; D148-T150 PolarHBondContact OD1-N 3.29Å; D148-T150 PolarHBondContact OD1-OG1 3.32Å; D148-T150 VanDerWaalsContact OD2-CB 3.3Å; D148-T150 WeakPolarHBondContact OD2-CB 3.27Å; D148-T150 PolarHBondContact OD2-OG1 2.92Å; D148-I151 HydrophobicContact CB-CD1 4.41Å; D148-I151 HydrophobicContact CB-CG1 4.28Å; D148-I151 PolarHBondContact O-N 3.22Å; D148-N152 PolarHBondContact O-N 3.46Å |
| 149 | E | 96.3 | Very high | 96 | Very high | 28 Ų | 28 | 44.5 Ų | 44.5 | 13% | 0.131 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.7 | -23.9 | 174.8 | -163.2 | -168.9 | -144.4 | 0 | 0 | 112.3 | K153 S167 K169 R170 | E149-K153 VanDerWaalsContact CD-NZ 3.28Å; E149-K153 WeakPolarHBondContact O-CD 3.1Å; E149-K153 VanDerWaalsContact O-CG 3.25Å; E149-K153 WeakPolarHBondContact O-CG 3.34Å; E149-K153 PolarHBondContact O-N 3.43Å; E149-K153 VanDerWaalsContact O-N 3.08Å; E149-K153 IonicContact OE1-NZ 3.8Å; E149-K153 IonicContact OE2-NZ 2.82Å; E149-K153 PolarHBondContact OE2-NZ 2.97Å; E149-S167 WeakPolarHBondContact CA-OG 3.3Å; E149-S167 WeakPolarHBondContact CB-OG 3.46Å; E149-S167 PolarHBondContact N-OG 3.48Å; E149-K169 HydrophobicContact CB-CD 4.35Å; E149-K169 WeakPolarHBondContact OE2-CE 3.47Å; E149-K169 IonicContact OE2-NZ 2.87Å; E149-K169 PolarHBondContact OE2-NZ 3.05Å; E149-R170 HydrophobicContact CG-CG 4.26Å; E149-R170 WeakPolarHBondContact OE1-CD 3.3Å |
| 150 | T | 97.5 | Very high | 96.2 | Very high | 65 Ų | 65 | 46.3 Ų | 46.3 | 40% | 0.399 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -68.7 | -41.3 | 179 | -43.8 | 0 | 0 | 0 | 0 | 111.6 | D148 K154 | D148-T150 PolarHBondContact O-N 3.02Å; D148-T150 VanDerWaalsContact O-N 3.12Å; D148-T150 VanDerWaalsContact OD1-CB 3.27Å; D148-T150 WeakPolarHBondContact OD1-CB 3.25Å; D148-T150 PolarHBondContact OD1-N 3.29Å; D148-T150 PolarHBondContact OD1-OG1 3.32Å; D148-T150 VanDerWaalsContact OD2-CB 3.3Å; D148-T150 WeakPolarHBondContact OD2-CB 3.27Å; D148-T150 PolarHBondContact OD2-OG1 2.92Å; T150-K154 PolarHBondContact O-N 3.36Å |
| 151 | I | 97.5 | Very high | 96.4 | Very high | 4 Ų | 4 | 47.4 Ų | 47.4 | 2% | 0.021 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -69.4 | -47.8 | 176.7 | -62.9 | -178.9 | 0 | 0 | 0 | 109.5 | I118 N121 I126 N146 D148 K153 K154 L155 | I118-I151 HydrophobicContact CB-CG2 4.02Å; I118-I151 HydrophobicContact CG2-CG2 4.02Å; N121-I151 HydrophobicContact CB-CD1 3.83Å; N121-I151 HydrophobicContact CB-CG1 3.81Å; I126-I151 HydrophobicContact CD1-CG2 4.4Å; N146-I151 HydrophobicContact CB-CB 4Å; N146-I151 HydrophobicContact CB-CD1 3.98Å; N146-I151 HydrophobicContact CB-CG2 3.87Å; D148-I151 HydrophobicContact CB-CD1 4.41Å; D148-I151 HydrophobicContact CB-CG1 4.28Å; D148-I151 PolarHBondContact O-N 3.22Å; I151-K153 PolarHBondContact O-N 2.71Å; I151-K154 WeakPolarHBondContact O-CB 3.3Å; I151-K154 PolarHBondContact O-N 2.91Å; I151-L155 HydrophobicContact CG2-CD1 3.86Å; I151-L155 HydrophobicContact CG2-CG 4.29Å; I151-L155 WeakPolarHBondContact O-CG 3.48Å; I151-L155 PolarHBondContact O-N 2.9Å |
| 152 | N | 97.2 | Very high | 96.7 | Very high | 7 Ų | 7 | 46.7 Ų | 46.7 | 4% | 0.037 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.5 | -28.6 | 179.3 | -65.6 | 20 | 0 | 0 | 0 | 112.9 | G145 N146 D148 Y156 F165 S167 | G145-N152 WeakPolarHBondContact CA-OD1 3.43Å; N146-N152 PolarHBondContact N-OD1 2.77Å; N146-N152 PolarHBondContact O-ND2 3.24Å; N146-N152 PolarHBondContact O-OD1 3.21Å; N146-N152 VanDerWaalsContact O-OD1 3.12Å; D148-N152 PolarHBondContact O-N 3.46Å; N152-Y156 VanDerWaalsContact O-CB 3.31Å; N152-Y156 WeakPolarHBondContact O-CB 3.38Å; N152-Y156 PolarHBondContact O-N 3.4Å; N152-F165 PolarHBondContact ND2-O 3.02Å; N152-S167 PolarHBondContact ND2-N 2.98Å |
| 153 | K | 97.1 | Very high | 96.8 | Very high | 83 Ų | 83 | 49.2 Ų | 49.2 | 36% | 0.361 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -66.2 | -49 | 170.8 | -78.4 | 166.9 | -172.2 | 152.9 | 0 | 111.8 | E149 I151 L155 Y156 E157 | E149-K153 VanDerWaalsContact CD-NZ 3.28Å; E149-K153 WeakPolarHBondContact O-CD 3.1Å; E149-K153 VanDerWaalsContact O-CG 3.25Å; E149-K153 WeakPolarHBondContact O-CG 3.34Å; E149-K153 PolarHBondContact O-N 3.43Å; E149-K153 VanDerWaalsContact O-N 3.08Å; E149-K153 IonicContact OE1-NZ 3.8Å; E149-K153 IonicContact OE2-NZ 2.82Å; E149-K153 PolarHBondContact OE2-NZ 2.97Å; I151-K153 PolarHBondContact O-N 2.71Å; K153-L155 VanDerWaalsContact C-N 3.32Å; K153-L155 PolarHBondContact O-N 3.03Å; K153-Y156 PolarHBondContact O-N 3.37Å; K153-E157 WeakPolarHBondContact O-CB 3.41Å; K153-E157 VanDerWaalsContact O-CG 3.31Å; K153-E157 WeakPolarHBondContact O-CG 3.45Å; K153-E157 PolarHBondContact O-N 2.67Å |
| 154 | K | 97.9 | Very high | 96.8 | Very high | 59 Ų | 59 | 49.4 Ų | 49.4 | 26% | 0.257 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -57.8 | -44.2 | 176.2 | -71.3 | 178.6 | 170.9 | -175.5 | 0 | 111.5 | N121 I126 T150 I151 E157 L158 | N121-K154 WeakPolarHBondContact OD1-CE 3.29Å; N121-K154 PolarHBondContact OD1-NZ 3.47Å; I126-K154 HydrophobicContact CD1-CB 3.94Å; I126-K154 HydrophobicContact CD1-CD 3.8Å; T150-K154 PolarHBondContact O-N 3.36Å; I151-K154 WeakPolarHBondContact O-CB 3.3Å; I151-K154 PolarHBondContact O-N 2.91Å; K154-E157 PolarHBondContact O-N 3.47Å; K154-L158 VanDerWaalsContact O-CB 3.28Å; K154-L158 WeakPolarHBondContact O-CB 3.32Å; K154-L158 PolarHBondContact O-N 3.34Å |
| 155 | L | 97.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.1 | -49 | 176.7 | -68.1 | 168.8 | 0 | 0 | 0 | 111.8 | I118 I126 W144 I151 K153 E157 L158 N159 | I118-L155 HydrophobicContact CG1-CD1 4.06Å; I118-L155 HydrophobicContact CG1-CD2 4.15Å; I126-L155 HydrophobicContact CG1-CD2 4.23Å; I126-L155 HydrophobicContact CG2-CD2 3.84Å; W144-L155 HydrophobicContact CD2-CB 4.47Å; W144-L155 HydrophobicContact CD2-CD1 4.49Å; W144-L155 HydrophobicContact CD2-CD2 3.71Å; W144-L155 HydrophobicContact CD2-CG 4.45Å; W144-L155 HydrophobicContact CE3-CD2 3.75Å; W144-L155 HydrophobicContact CG-CD1 4.25Å; W144-L155 HydrophobicContact CG-CD2 4.29Å; W144-L155 HydrophobicContact CH2-CD2 4.11Å; W144-L155 HydrophobicContact CZ2-CB 4.17Å; W144-L155 HydrophobicContact CZ2-CD2 4.06Å; W144-L155 HydrophobicContact CZ3-CD2 3.96Å; I151-L155 HydrophobicContact CG2-CD1 3.86Å; I151-L155 HydrophobicContact CG2-CG 4.29Å; I151-L155 WeakPolarHBondContact O-CG 3.48Å; I151-L155 PolarHBondContact O-N 2.9Å; K153-L155 VanDerWaalsContact C-N 3.32Å; K153-L155 PolarHBondContact O-N 3.03Å; L155-E157 PolarHBondContact O-N 2.9Å; L155-L158 PolarHBondContact O-N 2.93Å; L155-N159 PolarHBondContact O-N 2.75Å |
| 156 | Y | 97.2 | Very high | 96.7 | Very high | 74 Ų | 74 | 50.5 Ų | 50.5 | 29% | 0.29 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63.3 | -38.6 | 178.3 | -172.4 | -105.8 | 0 | 0 | 0 | 113.5 | N152 K153 P160 M164 R189 | N152-Y156 VanDerWaalsContact O-CB 3.31Å; N152-Y156 WeakPolarHBondContact O-CB 3.38Å; N152-Y156 PolarHBondContact O-N 3.4Å; K153-Y156 PolarHBondContact O-N 3.37Å; Y156-P160 HydrophobicContact CD2-CB 4.09Å; Y156-P160 HydrophobicContact CE2-CB 3.75Å; Y156-P160 WeakPolarHBondContact O-CB 3.39Å; Y156-P160 WeakPolarHBondContact O-CD 3.47Å; Y156-M164 HydrophobicContact CD2-CE 3.56Å; Y156-M164 HydrophobicContact CD2-SD 4.02Å; Y156-M164 HydrophobicContact CE2-CE 4.49Å; Y156-M164 HydrophobicContact CG-CE 3.99Å; Y156-M164 HydrophobicContact CG-SD 4.31Å; Y156-R189 HydrophobicContact CD2-CB 4.45Å; Y156-R189 HydrophobicContact CE2-CB 4.12Å; Y156-R189 HydrophobicContact CE2-CG 4.16Å |
| 157 | E | 97.6 | Very high | 96.7 | Very high | 149 Ų | 149 | 49.8 Ų | 49.8 | 70% | 0.696 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -72.7 | -32.3 | 178.8 | -73.4 | 168.9 | -167.8 | 0 | 0 | 111.9 | K153 K154 L155 | K153-E157 WeakPolarHBondContact O-CB 3.41Å; K153-E157 VanDerWaalsContact O-CG 3.31Å; K153-E157 WeakPolarHBondContact O-CG 3.45Å; K153-E157 PolarHBondContact O-N 2.67Å; K154-E157 PolarHBondContact O-N 3.47Å; L155-E157 PolarHBondContact O-N 2.9Å |
| 158 | L | 97.9 | Very high | 96.8 | Very high | 69 Ų | 69 | 45.1 Ų | 45.1 | 36% | 0.361 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -75.5 | -49.1 | 176.6 | -179.1 | 61.6 | 0 | 0 | 0 | 112.7 | I126 K127 N130 K154 L155 | I126-L158 HydrophobicContact CG2-CD2 3.57Å; K127-L158 HydrophobicContact CG-CD2 4.35Å; N130-L158 HydrophobicContact CB-CD2 3.6Å; N130-L158 HydrophobicContact CB-CG 4.26Å; K154-L158 VanDerWaalsContact O-CB 3.28Å; K154-L158 WeakPolarHBondContact O-CB 3.32Å; K154-L158 PolarHBondContact O-N 3.34Å; L155-L158 PolarHBondContact O-N 2.93Å |
| 159 | N | 97.8 | Very high | 96.8 | Very high | 9 Ų | 9 | 48.3 Ų | 48.3 | 5% | 0.048 | 24% | 0.239 | C | C | . | . | trans | -146.7 | 95.6 | 177.8 | -166.9 | -13.5 | 0 | 0 | 0 | 112.2 | N130 E139 W144 L155 K161 V162 | N130-N159 WeakPolarHBondContact OD1-CB 3.5Å; N130-N159 PolarHBondContact OD1-ND2 3.08Å; E139-N159 PolarHBondContact OE1-ND2 2.77Å; W144-N159 HydrophobicContact CH2-CB 4.02Å; W144-N159 HydrophobicContact CZ2-CB 3.97Å; L155-N159 PolarHBondContact O-N 2.75Å; N159-K161 PolarHBondContact O-N 3.3Å; N159-K161 WeakPolarHBondContact OD1-CB 3.37Å; N159-K161 PolarHBondContact OD1-N 2.83Å; N159-V162 HydrophobicContact CB-CG2 4.16Å | ||
| 160 | P | 96.2 | Very high | 96.8 | Very high | 80 Ų | 80 | 48.1 Ų | 48.1 | 52% | 0.519 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | 1.2 | -178.4 | 31.4 | -36.4 | 0 | 0 | 0 | 114.5 | Y156 | Y156-P160 HydrophobicContact CD2-CB 4.09Å; Y156-P160 HydrophobicContact CE2-CB 3.75Å; Y156-P160 WeakPolarHBondContact O-CB 3.39Å; Y156-P160 WeakPolarHBondContact O-CD 3.47Å |
| 161 | K | 95.8 | Very high | 96.7 | Very high | 129 Ų | 129 | 45.7 Ų | 45.7 | 56% | 0.561 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -41 | 174.2 | -62 | 165.8 | 173.7 | 176.1 | 0 | 111.9 | E139 N159 | E139-K161 HydrophobicContact CB-CB 4.47Å; E139-K161 VanDerWaalsContact CD-CD 3.41Å; E139-K161 WeakPolarHBondContact OE1-CD 3.12Å; E139-K161 IonicContact OE1-NZ 3.81Å; E139-K161 PolarHBondContact OE1-NZ 3.12Å; E139-K161 VanDerWaalsContact OE2-CD 3.3Å; E139-K161 WeakPolarHBondContact OE2-CD 3.27Å; E139-K161 IonicContact OE2-NZ 2.74Å; E139-K161 PolarHBondContact OE2-NZ 3.31Å; N159-K161 PolarHBondContact O-N 3.3Å; N159-K161 WeakPolarHBondContact OD1-CB 3.37Å; N159-K161 PolarHBondContact OD1-N 2.83Å |
| 162 | V | 95.6 | Very high | 96.7 | Very high | 5 Ų | 5 | 51.1 Ų | 51.1 | 3% | 0.03 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -62.3 | 136 | -178.1 | -171.7 | 0 | 0 | 0 | 0 | 108.9 | V133 T142 W144 N159 | V133-V162 HydrophobicContact CG1-CG2 3.77Å; T142-V162 HydrophobicContact CG2-CG1 3.92Å; T142-V162 WeakPolarHBondContact O-CG1 3.37Å; W144-V162 HydrophobicContact CD2-CB 4.15Å; W144-V162 HydrophobicContact CD2-CG1 3.62Å; W144-V162 HydrophobicContact CE3-CG1 4.24Å; W144-V162 HydrophobicContact CG-CG1 3.77Å; W144-V162 HydrophobicContact CH2-CB 4.42Å; W144-V162 HydrophobicContact CH2-CG2 4.08Å; W144-V162 HydrophobicContact CZ2-CB 3.71Å; W144-V162 HydrophobicContact CZ2-CG1 4.14Å; W144-V162 HydrophobicContact CZ2-CG2 3.8Å; N159-V162 HydrophobicContact CB-CG2 4.16Å |
| 163 | H | 95.3 | Very high | 96.6 | Very high | 53 Ų | 53 | 55.4 Ų | 55.4 | 25% | 0.245 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 147 | -177 | -66.2 | -16.6 | 0 | 0 | 0 | 111.1 | T142 V143 W144 F192 | T142-H163 PolarHBondContact O-N 3.18Å; V143-H163 CarbonylContact C-O 3.46Å; V143-H163 WeakPolarHBondContact CA-O 3.26Å; V143-H163 HydrophobicContact CB-CB 4.47Å; V143-H163 HydrophobicContact CG1-CB 4.45Å; V143-H163 HydrophobicContact CG2-CB 4.11Å; W144-H163 PolarHBondContact N-O 3.39Å; H163-F192 HydrophobicContact CB-CD2 4.08Å; H163-F192 HydrophobicContact CB-CE2 3.68Å; H163-F192 AromaticContact CD2-CE2 3.97Å |
| 164 | M | 96 | Very high | 96.6 | Very high | 6 Ų | 6 | 51.5 Ų | 51.5 | 3% | 0.03 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 145.9 | -179.1 | -61.8 | -165.5 | -47.4 | 0 | 0 | 113.2 | W144 Y156 R189 E190 R191 F192 | W144-M164 VanDerWaalsContact O-CA 3.29Å; W144-M164 WeakPolarHBondContact O-CA 3.38Å; Y156-M164 HydrophobicContact CD2-CE 3.56Å; Y156-M164 HydrophobicContact CD2-SD 4.02Å; Y156-M164 HydrophobicContact CE2-CE 4.49Å; Y156-M164 HydrophobicContact CG-CE 3.99Å; Y156-M164 HydrophobicContact CG-SD 4.31Å; M164-R189 HydrophobicContact CE-CB 4.04Å; M164-E190 HydrophobicContact CE-CG 4.39Å; M164-E190 WeakPolarHBondContact O-CA 2.86Å; M164-R191 PolarHBondContact O-N 3.44Å; M164-F192 PolarHBondContact O-N 3.43Å |
| 165 | F | 95.7 | Very high | 96.6 | Very high | 13 Ų | 13 | 49.6 Ų | 49.6 | 6% | 0.057 | 24% | 0.241 | C | C | . | . | B | Isolated β-bridge | trans | -93.9 | 168 | 166.9 | 65.5 | -111.8 | 0 | 0 | 0 | 114.1 | N115 D117 V143 W144 G145 N146 N152 E190 F192 E194 | N115-F165 VanDerWaalsContact OD1-CD1 3.26Å; N115-F165 WeakPolarHBondContact OD1-CD1 2.75Å; N115-F165 WeakPolarHBondContact OD1-CE1 3.49Å; D117-F165 HydrophobicContact CB-CZ 4.31Å; V143-F165 HydrophobicContact CG1-CB 4.3Å; V143-F165 HydrophobicContact CG1-CD1 4.12Å; W144-F165 PolarHBondContact O-N 2.91Å; G145-F165 VanDerWaalsContact CA-CZ 3.4Å; G145-F165 VanDerWaalsContact N-CE1 3.27Å; G145-F165 WeakPolarHBondContact O-CZ 3.45Å; N146-F165 VanDerWaalsContact N-CE2 3.28Å; N152-F165 PolarHBondContact ND2-O 3.02Å; F165-E190 WeakPolarHBondContact O-CG 3.27Å; F165-F192 CarbonylContact C-O 3.52Å; F165-F192 WeakPolarHBondContact CA-O 3.48Å; F165-F192 HydrophobicContact CB-CB 3.84Å; F165-F192 VanDerWaalsContact CB-O 3.27Å; F165-F192 WeakPolarHBondContact CB-O 3.39Å; F165-E194 HydrophobicContact CB-CG 4.43Å; F165-E194 WeakPolarHBondContact CB-OE1 3.33Å; F165-E194 WeakPolarHBondContact CD1-OE2 3.43Å; F165-E194 WeakPolarHBondContact CG-OE2 3.44Å |
| 166 | F | 96.9 | Very high | 96.5 | Very high | 9 Ų | 9 | 55.6 Ų | 55.6 | 4% | 0.039 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -79 | 122.8 | -178.4 | -80.8 | -106.2 | 0 | 0 | 0 | 112.4 | R170 V171 L174 M188 E190 F192 L193 M240 | F166-R170 HydrophobicContact CB-CB 4.44Å; F166-R170 HydrophobicContact CD1-CB 3.67Å; F166-R170 HydrophobicContact CE1-CB 4.42Å; F166-R170 HydrophobicContact CG-CB 4.45Å; F166-V171 HydrophobicContact CB-CG2 3.64Å; F166-V171 HydrophobicContact CG-CG2 4.44Å; F166-L174 HydrophobicContact CD1-CD2 4.44Å; F166-L174 HydrophobicContact CE1-CB 4.17Å; F166-L174 HydrophobicContact CE1-CD2 4.05Å; F166-L174 HydrophobicContact CZ-CD2 4.28Å; F166-M188 HydrophobicContact CE1-SD 3.93Å; F166-M188 HydrophobicContact CZ-CB 4.43Å; F166-M188 HydrophobicContact CZ-CG 4.49Å; F166-M188 HydrophobicContact CZ-SD 3.64Å; F166-E190 HydrophobicContact CD1-CG 4.5Å; F166-E190 HydrophobicContact CD2-CB 3.51Å; F166-E190 HydrophobicContact CD2-CG 4.14Å; F166-E190 HydrophobicContact CE1-CB 4.39Å; F166-E190 HydrophobicContact CE2-CB 3.34Å; F166-E190 HydrophobicContact CE2-CG 4.26Å; F166-E190 HydrophobicContact CG-CB 4.11Å; F166-E190 HydrophobicContact CG-CG 4.25Å; F166-E190 HydrophobicContact CZ-CB 3.79Å; F166-E190 HydrophobicContact CZ-CG 4.45Å; F166-F192 WeakPolarHBondContact CD2-O 2.99Å; F166-F192 PolarHBondContact N-O 3.28Å; F166-L193 HydrophobicContact CB-CD1 4.01Å; F166-L193 HydrophobicContact CD1-CD1 4.42Å; F166-L193 HydrophobicContact CD2-CB 4.16Å; F166-L193 HydrophobicContact CD2-CD1 4.01Å; F166-L193 HydrophobicContact CE2-CB 4.45Å; F166-L193 HydrophobicContact CG-CD1 3.9Å; F166-M240 HydrophobicContact CE2-CE 3.38Å; F166-M240 HydrophobicContact CZ-CE 3.45Å; F166-M240 VanDerWaalsContact CZ-CE 3.45Å |
| 167 | S | 97.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 26% | 0.258 | C | S | . | . | P | Polyproline II helix | trans | -65.8 | 153.9 | 163.1 | 113.9 | 0 | 0 | 0 | 0 | 110.9 | N146 E147 E149 N152 K169 R170 V171 | N146-S167 WeakPolarHBondContact O-CA 3.36Å; N146-S167 WeakPolarHBondContact O-CB 3.39Å; E147-S167 CarbonylContact O-C 3.45Å; E147-S167 WeakPolarHBondContact O-CA 3.21Å; E147-S167 WeakPolarHBondContact O-CB 3.48Å; E147-S167 PolarHBondContact O-OG 3.34Å; E149-S167 WeakPolarHBondContact CA-OG 3.3Å; E149-S167 WeakPolarHBondContact CB-OG 3.46Å; E149-S167 PolarHBondContact N-OG 3.48Å; N152-S167 PolarHBondContact ND2-N 2.98Å; S167-K169 VanDerWaalsContact C-N 3.29Å; S167-K169 PolarHBondContact O-N 3.31Å; S167-R170 CarbonylContact O-C 3.54Å; S167-R170 WeakPolarHBondContact O-CA 3.06Å; S167-R170 VanDerWaalsContact O-CB 3.25Å; S167-R170 WeakPolarHBondContact O-CB 3.29Å; S167-R170 PolarHBondContact O-N 3.12Å; S167-V171 PolarHBondContact O-N 2.75Å |
| 168 | A | 95.6 | Very high | 96.5 | Very high | 46 Ų | 46 | 47.7 Ų | 47.7 | 38% | 0.38 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -56.7 | -40.3 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | E147 R170 V171 I172 | E147-A168 HydrophobicContact CB-CB 4.3Å; E147-A168 PolarHBondContact O-N 3.2Å; A168-R170 VanDerWaalsContact C-N 3.29Å; A168-R170 PolarHBondContact O-N 3.42Å; A168-V171 WeakPolarHBondContact O-CB 3.42Å; A168-V171 PolarHBondContact O-N 2.75Å; A168-I172 WeakPolarHBondContact O-CG1 3.24Å; A168-I172 PolarHBondContact O-N 3.12Å |
| 169 | K | 96.1 | Very high | 96.4 | Very high | 126 Ų | 126 | 49.7 Ų | 49.7 | 55% | 0.548 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -64.2 | -32.5 | 174.3 | -177.1 | 178.9 | 170.9 | -162.8 | 0 | 112.7 | E149 S167 R173 | E149-K169 HydrophobicContact CB-CD 4.35Å; E149-K169 WeakPolarHBondContact OE2-CE 3.47Å; E149-K169 IonicContact OE2-NZ 2.87Å; E149-K169 PolarHBondContact OE2-NZ 3.05Å; S167-K169 VanDerWaalsContact C-N 3.29Å; S167-K169 PolarHBondContact O-N 3.31Å; K169-R173 PolarHBondContact O-N 2.71Å; K169-R173 VanDerWaalsContact O-N 3.11Å |
| 170 | R | 96.5 | Very high | 96.4 | Very high | 24 Ų | 24 | 52.5 Ų | 52.5 | 9% | 0.091 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -72.7 | -36.6 | 175.4 | -60.8 | -74.1 | -68.1 | -163.8 | -7 | 111.1 | E149 F166 S167 A168 R173 L174 E190 | E149-R170 HydrophobicContact CG-CG 4.26Å; E149-R170 WeakPolarHBondContact OE1-CD 3.3Å; F166-R170 HydrophobicContact CB-CB 4.44Å; F166-R170 HydrophobicContact CD1-CB 3.67Å; F166-R170 HydrophobicContact CE1-CB 4.42Å; F166-R170 HydrophobicContact CG-CB 4.45Å; S167-R170 CarbonylContact O-C 3.54Å; S167-R170 WeakPolarHBondContact O-CA 3.06Å; S167-R170 VanDerWaalsContact O-CB 3.25Å; S167-R170 WeakPolarHBondContact O-CB 3.29Å; S167-R170 PolarHBondContact O-N 3.12Å; A168-R170 VanDerWaalsContact C-N 3.29Å; A168-R170 PolarHBondContact O-N 3.42Å; R170-R173 PolarHBondContact O-N 3.02Å; R170-L174 WeakPolarHBondContact O-CB 3.45Å; R170-L174 PolarHBondContact O-N 2.66Å; R170-E190 IonicContact CZ-OE1 3.54Å; R170-E190 IonicContact CZ-OE2 2.72Å; R170-E190 IonicContact NE-OE1 2.82Å; R170-E190 PolarHBondContact NE-OE1 3.37Å; R170-E190 IonicContact NE-OE2 3.09Å; R170-E190 IonicContact NH2-OE1 2.7Å; R170-E190 PolarHBondContact NH2-OE1 3.21Å; R170-E190 IonicContact NH2-OE2 3.87Å; R170-E190 PolarHBondContact NH2-OE2 2.88Å |
| 171 | V | 96.8 | Very high | 96.4 | Very high | 15 Ų | 15 | 50.8 Ų | 50.8 | 9% | 0.091 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.5 | -49.5 | 170.7 | -177.8 | 0 | 0 | 0 | 0 | 110.7 | F166 S167 A168 R173 L174 L175 L193 I195 L226 | F166-V171 HydrophobicContact CB-CG2 3.64Å; F166-V171 HydrophobicContact CG-CG2 4.44Å; S167-V171 PolarHBondContact O-N 2.75Å; A168-V171 WeakPolarHBondContact O-CB 3.42Å; A168-V171 PolarHBondContact O-N 2.75Å; V171-R173 VanDerWaalsContact C-N 3.27Å; V171-R173 PolarHBondContact O-N 3.18Å; V171-L174 WeakPolarHBondContact O-CA 3.4Å; V171-L174 WeakPolarHBondContact O-CB 3.16Å; V171-L174 PolarHBondContact O-N 3.26Å; V171-L175 HydrophobicContact CG1-CD1 4.37Å; V171-L175 HydrophobicContact CG1-CG 4.46Å; V171-L175 WeakPolarHBondContact O-CG 3.49Å; V171-L175 PolarHBondContact O-N 2.83Å; V171-L193 HydrophobicContact CG1-CD1 4.35Å; V171-L193 HydrophobicContact CG2-CD1 3.83Å; V171-I195 HydrophobicContact CG1-CG2 3.9Å; V171-I195 HydrophobicContact CG2-CG2 4.13Å; V171-L226 HydrophobicContact CG1-CD2 4.15Å |
| 172 | I | 96.3 | Very high | 96.4 | Very high | 118 Ų | 118 | 48.6 Ų | 48.6 | 61% | 0.605 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -57.2 | -42.3 | 177.1 | -65.2 | 166.8 | 0 | 0 | 0 | 111.1 | A168 L175 F176 | A168-I172 WeakPolarHBondContact O-CG1 3.24Å; A168-I172 PolarHBondContact O-N 3.12Å; I172-L175 PolarHBondContact O-N 3.25Å; I172-F176 WeakPolarHBondContact O-CB 3.45Å; I172-F176 PolarHBondContact O-N 2.72Å |
| 173 | R | 96.6 | Very high | 96.3 | Very high | 96 Ų | 96 | 48.5 Ų | 48.5 | 36% | 0.362 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -65 | -39.8 | 176 | -162 | -174.3 | 77.8 | 153.8 | 9.6 | 112.3 | K169 R170 V171 F176 L177 | K169-R173 PolarHBondContact O-N 2.71Å; K169-R173 VanDerWaalsContact O-N 3.11Å; R170-R173 PolarHBondContact O-N 3.02Å; V171-R173 VanDerWaalsContact C-N 3.27Å; V171-R173 PolarHBondContact O-N 3.18Å; R173-F176 PolarHBondContact O-N 3.45Å; R173-L177 HydrophobicContact CG-CD1 4.18Å; R173-L177 WeakPolarHBondContact O-CB 3.44Å; R173-L177 WeakPolarHBondContact O-CG 3.29Å; R173-L177 PolarHBondContact O-N 3.37Å |
| 174 | L | 96.8 | Very high | 96.2 | Very high | 2 Ų | 2 | 49.3 Ų | 49.3 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.7 | -49.5 | 175.1 | 168 | 62.5 | 0 | 0 | 0 | 111 | F166 R170 V171 L177 F178 L183 M188 L193 L231 L235 | F166-L174 HydrophobicContact CD1-CD2 4.44Å; F166-L174 HydrophobicContact CE1-CB 4.17Å; F166-L174 HydrophobicContact CE1-CD2 4.05Å; F166-L174 HydrophobicContact CZ-CD2 4.28Å; R170-L174 WeakPolarHBondContact O-CB 3.45Å; R170-L174 PolarHBondContact O-N 2.66Å; V171-L174 WeakPolarHBondContact O-CA 3.4Å; V171-L174 WeakPolarHBondContact O-CB 3.16Å; V171-L174 PolarHBondContact O-N 3.26Å; L174-L177 PolarHBondContact O-N 2.87Å; L174-F178 WeakPolarHBondContact O-CB 3.25Å; L174-F178 PolarHBondContact O-N 2.93Å; L174-L183 HydrophobicContact CD1-CD1 3.55Å; L174-L183 HydrophobicContact CD1-CD2 3.51Å; L174-L183 HydrophobicContact CD1-CG 4.2Å; L174-M188 HydrophobicContact CD1-CE 4.19Å; L174-M188 HydrophobicContact CD1-SD 3.88Å; L174-L193 HydrophobicContact CD2-CD1 3.87Å; L174-L193 HydrophobicContact CD2-CD2 3.75Å; L174-L193 HydrophobicContact CD2-CG 4.41Å; L174-L231 HydrophobicContact CD1-CD1 4.29Å; L174-L231 HydrophobicContact CG-CD1 4.43Å; L174-L235 HydrophobicContact CD1-CD2 4.1Å; L174-L235 HydrophobicContact CD2-CD1 4.41Å; L174-L235 HydrophobicContact CD2-CD2 4.22Å |
| 175 | L | 96.7 | Very high | 96 | Very high | 19 Ų | 19 | 56.9 Ų | 56.9 | 10% | 0.099 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60 | -47.8 | 177.2 | -62.4 | 174 | 0 | 0 | 0 | 111.4 | V171 I172 L177 F178 Y179 L225 L226 L231 | V171-L175 HydrophobicContact CG1-CD1 4.37Å; V171-L175 HydrophobicContact CG1-CG 4.46Å; V171-L175 WeakPolarHBondContact O-CG 3.49Å; V171-L175 PolarHBondContact O-N 2.83Å; I172-L175 PolarHBondContact O-N 3.25Å; L175-L177 VanDerWaalsContact C-N 3.33Å; L175-L177 PolarHBondContact O-N 3.25Å; L175-F178 WeakPolarHBondContact O-CB 3.27Å; L175-F178 PolarHBondContact O-N 3.35Å; L175-F178 VanDerWaalsContact O-N 3.15Å; L175-Y179 HydrophobicContact CB-CD2 4.47Å; L175-Y179 HydrophobicContact CD2-CE2 4.43Å; L175-Y179 VanDerWaalsContact O-CD2 3.27Å; L175-Y179 WeakPolarHBondContact O-CD2 3.47Å; L175-Y179 PolarHBondContact O-N 3.4Å; L175-L225 HydrophobicContact CD1-CD2 4.32Å; L175-L226 HydrophobicContact CD1-CD2 3.78Å; L175-L226 HydrophobicContact CD2-CD2 4.45Å; L175-L231 HydrophobicContact CD2-CD2 3.79Å |
| 176 | F | 97.1 | Very high | 95.9 | Very high | 125 Ų | 125 | 58 Ų | 58 | 55% | 0.548 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -56.6 | -47.6 | 176.7 | 174.5 | -94.6 | 0 | 0 | 0 | 111.7 | I172 R173 F178 T180 | I172-F176 WeakPolarHBondContact O-CB 3.45Å; I172-F176 PolarHBondContact O-N 2.72Å; R173-F176 PolarHBondContact O-N 3.45Å; F176-F178 VanDerWaalsContact C-N 3.32Å; F176-F178 PolarHBondContact O-N 2.89Å; F176-T180 HydrophobicContact CD2-CG2 4.23Å; F176-T180 HydrophobicContact CE1-CG2 4.19Å; F176-T180 HydrophobicContact CE2-CG2 3.84Å; F176-T180 HydrophobicContact CZ-CG2 3.82Å; F176-T180 WeakPolarHBondContact O-CB 3.4Å; F176-T180 VanDerWaalsContact O-CG2 3.3Å; F176-T180 WeakPolarHBondContact O-CG2 3.48Å; F176-T180 PolarHBondContact O-N 2.73Å; F176-T180 PolarHBondContact O-OG1 3.07Å |
| 177 | L | 97.1 | Very high | 95.5 | Very high | 17 Ų | 17 | 62.9 Ų | 62.9 | 9% | 0.089 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -64.7 | -36.1 | 178 | -71.2 | 170.2 | 0 | 0 | 0 | 112.2 | R173 L174 L175 T180 G181 L182 L183 V186 | R173-L177 HydrophobicContact CG-CD1 4.18Å; R173-L177 WeakPolarHBondContact O-CB 3.44Å; R173-L177 WeakPolarHBondContact O-CG 3.29Å; R173-L177 PolarHBondContact O-N 3.37Å; L174-L177 PolarHBondContact O-N 2.87Å; L175-L177 VanDerWaalsContact C-N 3.33Å; L175-L177 PolarHBondContact O-N 3.25Å; L177-T180 WeakPolarHBondContact CA-OG1 3.05Å; L177-T180 PolarHBondContact O-OG1 3.37Å; L177-G181 PolarHBondContact O-N 3.25Å; L177-L182 HydrophobicContact CD2-CB 3.76Å; L177-L182 HydrophobicContact CD2-CD1 4.49Å; L177-L182 PolarHBondContact O-N 2.82Å; L177-L183 HydrophobicContact CB-CB 3.97Å; L177-L183 HydrophobicContact CB-CD1 4.07Å; L177-L183 WeakPolarHBondContact O-CB 3.18Å; L177-L183 PolarHBondContact O-N 2.96Å; L177-V186 HydrophobicContact CD1-CB 3.94Å; L177-V186 HydrophobicContact CD1-CG1 3.86Å; L177-V186 HydrophobicContact CD1-CG2 3.95Å; L177-V186 HydrophobicContact CD2-CG2 3.81Å |
| 178 | F | 96.7 | Very high | 95.2 | Very high | 41 Ų | 41 | 64.6 Ų | 64.6 | 18% | 0.18 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -65.2 | -56.1 | 177 | 177.4 | -110.9 | 0 | 0 | 0 | 111.1 | L174 L175 F176 T180 G181 L183 A230 L231 | L174-F178 WeakPolarHBondContact O-CB 3.25Å; L174-F178 PolarHBondContact O-N 2.93Å; L175-F178 WeakPolarHBondContact O-CB 3.27Å; L175-F178 PolarHBondContact O-N 3.35Å; L175-F178 VanDerWaalsContact O-N 3.15Å; F176-F178 VanDerWaalsContact C-N 3.32Å; F176-F178 PolarHBondContact O-N 2.89Å; F178-T180 VanDerWaalsContact C-N 3.26Å; F178-T180 PolarHBondContact O-N 2.7Å; F178-G181 PolarHBondContact O-N 2.89Å; F178-L183 HydrophobicContact CB-CD2 3.91Å; F178-L183 HydrophobicContact CD2-CD2 4.08Å; F178-L183 HydrophobicContact CG-CD2 4.47Å; F178-A230 HydrophobicContact CZ-CB 3.93Å; F178-L231 HydrophobicContact CB-CD1 4.03Å; F178-L231 HydrophobicContact CD1-CB 4.1Å; F178-L231 HydrophobicContact CD1-CD1 4.27Å; F178-L231 HydrophobicContact CD2-CB 4.27Å; F178-L231 HydrophobicContact CD2-CD1 3.79Å; F178-L231 HydrophobicContact CE1-CB 3.84Å; F178-L231 HydrophobicContact CE2-CB 4.02Å; F178-L231 HydrophobicContact CE2-CD1 4.34Å; F178-L231 HydrophobicContact CG-CB 4.31Å; F178-L231 HydrophobicContact CG-CD1 3.76Å; F178-L231 HydrophobicContact CZ-CB 3.81Å; F178-L231 VanDerWaalsContact CZ-N 3.31Å |
| 179 | Y | 96.4 | Very high | 94.9 | Very high | 111 Ų | 111 | 69 Ų | 69 | 44% | 0.435 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -70.6 | -18.3 | -176.5 | -74 | -70 | 0 | 0 | 0 | 114.1 | L175 A224 L225 | L175-Y179 HydrophobicContact CB-CD2 4.47Å; L175-Y179 HydrophobicContact CD2-CE2 4.43Å; L175-Y179 VanDerWaalsContact O-CD2 3.27Å; L175-Y179 WeakPolarHBondContact O-CD2 3.47Å; L175-Y179 PolarHBondContact O-N 3.4Å; Y179-A224 PolarHBondContact OH-O 2.7Å; Y179-L225 HydrophobicContact CD2-CD1 3.9Å; Y179-L225 HydrophobicContact CE2-CD1 3.38Å; Y179-L225 HydrophobicContact CE2-CG 3.94Å; Y179-L225 WeakPolarHBondContact OH-CA 3.45Å; Y179-L225 PolarHBondContact OH-O 2.69Å |
| 180 | T | 96.9 | Very high | 94.9 | Very high | 67 Ų | 67 | 63.3 Ų | 63.3 | 41% | 0.411 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | -3.4 | 169 | 54.7 | 0 | 0 | 0 | 0 | 113.9 | F176 L177 F178 L182 | F176-T180 HydrophobicContact CD2-CG2 4.23Å; F176-T180 HydrophobicContact CE1-CG2 4.19Å; F176-T180 HydrophobicContact CE2-CG2 3.84Å; F176-T180 HydrophobicContact CZ-CG2 3.82Å; F176-T180 WeakPolarHBondContact O-CB 3.4Å; F176-T180 VanDerWaalsContact O-CG2 3.3Å; F176-T180 WeakPolarHBondContact O-CG2 3.48Å; F176-T180 PolarHBondContact O-N 2.73Å; F176-T180 PolarHBondContact O-OG1 3.07Å; L177-T180 WeakPolarHBondContact CA-OG1 3.05Å; L177-T180 PolarHBondContact O-OG1 3.37Å; F178-T180 VanDerWaalsContact C-N 3.26Å; F178-T180 PolarHBondContact O-N 2.7Å; T180-L182 PolarHBondContact O-N 2.7Å |
| 181 | G | 96.1 | Very high | 94.7 | Very high | 44 Ų | 44 | 67.5 Ų | 67.5 | 45% | 0.454 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.9 | 8.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | L177 F178 P184 | L177-G181 PolarHBondContact O-N 3.25Å; F178-G181 PolarHBondContact O-N 2.89Å; G181-P184 VanDerWaalsContact O-CD 3.31Å; G181-P184 WeakPolarHBondContact O-CD 3.28Å |
| 182 | L | 95.9 | Very high | 94.5 | Very high | 84 Ų | 84 | 66.9 Ų | 66.9 | 44% | 0.44 | 33% | 0.33 | S | S | . | . | trans | -85.6 | -16.2 | -179.2 | -65.3 | 177.6 | 0 | 0 | 0 | 113.5 | L177 T180 P184 F185 | L177-L182 HydrophobicContact CD2-CB 3.76Å; L177-L182 HydrophobicContact CD2-CD1 4.49Å; L177-L182 PolarHBondContact O-N 2.82Å; T180-L182 PolarHBondContact O-N 2.7Å; L182-P184 VanDerWaalsContact C-N 3.33Å; L182-F185 PolarHBondContact O-N 3.19Å | ||
| 183 | L | 94.2 | Very high | 94.5 | Very high | 2 Ų | 2 | 61.3 Ų | 61.3 | 1% | 0.01 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -52.7 | -36.5 | -178 | -173.9 | 57.1 | 0 | 0 | 0 | 115.1 | L174 L177 F178 F185 V186 M188 L231 H234 R238 | L174-L183 HydrophobicContact CD1-CD1 3.55Å; L174-L183 HydrophobicContact CD1-CD2 3.51Å; L174-L183 HydrophobicContact CD1-CG 4.2Å; L177-L183 HydrophobicContact CB-CB 3.97Å; L177-L183 HydrophobicContact CB-CD1 4.07Å; L177-L183 WeakPolarHBondContact O-CB 3.18Å; L177-L183 PolarHBondContact O-N 2.96Å; F178-L183 HydrophobicContact CB-CD2 3.91Å; F178-L183 HydrophobicContact CD2-CD2 4.08Å; F178-L183 HydrophobicContact CG-CD2 4.47Å; L183-F185 PolarHBondContact O-N 3.39Å; L183-V186 PolarHBondContact O-N 2.83Å; L183-M188 HydrophobicContact CD1-CE 3.8Å; L183-M188 HydrophobicContact CD1-SD 4.03Å; L183-L231 HydrophobicContact CD2-CD1 4.2Å; L183-H234 VanDerWaalsContact CD2-CD2 3.44Å; L183-H234 WeakPolarHBondContact CD2-CD2 3.45Å; L183-R238 VanDerWaalsContact O-CZ 3.27Å; L183-R238 PolarHBondContact O-NH1 2.8Å; L183-R238 PolarHBondContact O-NH2 2.93Å |
| 184 | P | 92.2 | Very high | 94.4 | Very high | 70 Ų | 70 | 57.8 Ų | 57.8 | 46% | 0.455 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -52.7 | -32.2 | 173.4 | -29.3 | 37.6 | 0 | 0 | 0 | 114.7 | G181 L182 R238 | G181-P184 VanDerWaalsContact O-CD 3.31Å; G181-P184 WeakPolarHBondContact O-CD 3.28Å; L182-P184 VanDerWaalsContact C-N 3.33Å; P184-R238 VanDerWaalsContact C-NH2 3.28Å; P184-R238 VanDerWaalsContact CA-NH2 3.29Å; P184-R238 PolarHBondContact O-NH2 2.85Å |
| 185 | F | 93.4 | Very high | 94.2 | Very high | 165 Ų | 165 | 57.9 Ų | 57.9 | 72% | 0.724 | 29% | 0.29 | S | S | * | . | G | 310 helix | trans | -96.1 | -7.9 | -171 | -49.8 | -73.2 | 0 | 0 | 0 | 114.4 | L182 L183 | L182-F185 PolarHBondContact O-N 3.19Å; L183-F185 PolarHBondContact O-N 3.39Å |
| 186 | V | 92 | Very high | 94 | Very high | 38 Ų | 38 | 58.2 Ų | 58.2 | 23% | 0.23 | 29% | 0.293 | C | S | . | . | trans | -105.5 | 119.3 | -177.4 | -178.6 | 0 | 0 | 0 | 0 | 110.4 | L177 L183 | L177-V186 HydrophobicContact CD1-CB 3.94Å; L177-V186 HydrophobicContact CD1-CG1 3.86Å; L177-V186 HydrophobicContact CD1-CG2 3.95Å; L177-V186 HydrophobicContact CD2-CG2 3.81Å; L183-V186 PolarHBondContact O-N 2.83Å | ||
| 187 | P | 90.4 | Very high | 93.9 | Very high | 111 Ų | 111 | 52.4 Ų | 52.4 | 72% | 0.721 | 27% | 0.268 | S | S | * | . | trans | -71.6 | 151.5 | 171.9 | 30.6 | -34.3 | 0 | 0 | 0 | 111 | ||||
| 188 | M | 89.6 | Confident | 93.7 | Very high | 36 Ų | 36 | 53.3 Ų | 53.3 | 18% | 0.177 | 27% | 0.272 | C | S | . | . | trans | -124.4 | 148.4 | 178.2 | -66 | -176.9 | -72.5 | 0 | 0 | 109.5 | F166 L174 L183 L235 M240 | F166-M188 HydrophobicContact CE1-SD 3.93Å; F166-M188 HydrophobicContact CZ-CB 4.43Å; F166-M188 HydrophobicContact CZ-CG 4.49Å; F166-M188 HydrophobicContact CZ-SD 3.64Å; L174-M188 HydrophobicContact CD1-CE 4.19Å; L174-M188 HydrophobicContact CD1-SD 3.88Å; L183-M188 HydrophobicContact CD1-CE 3.8Å; L183-M188 HydrophobicContact CD1-SD 4.03Å; M188-L235 HydrophobicContact CE-CD2 4.37Å; M188-M240 HydrophobicContact CE-CE 3.71Å; M188-M240 HydrophobicContact CE-SD 3.5Å; M188-M240 WeakPolarHBondContact CE-SD 3.28Å; M188-M240 HydrophobicContact SD-CE 4.24Å | ||
| 189 | R | 90.3 | Very high | 93.5 | Very high | 137 Ų | 137 | 52.9 Ų | 52.9 | 52% | 0.517 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -95.5 | -34.7 | -178.6 | -65.2 | 175 | 178.8 | 173.3 | -1 | 110.5 | Y156 M164 | Y156-R189 HydrophobicContact CD2-CB 4.45Å; Y156-R189 HydrophobicContact CE2-CB 4.12Å; Y156-R189 HydrophobicContact CE2-CG 4.16Å; M164-R189 HydrophobicContact CE-CB 4.04Å |
| 190 | E | 94.2 | Very high | 93.1 | Very high | 8 Ų | 8 | 48 Ų | 48 | 4% | 0.037 | 26% | 0.256 | C | S | . | . | trans | -71.5 | 145.1 | 177.4 | -52.7 | 80.5 | -180 | 0 | 0 | 110.5 | M164 F165 F166 R170 | M164-E190 HydrophobicContact CE-CG 4.39Å; M164-E190 WeakPolarHBondContact O-CA 2.86Å; F165-E190 WeakPolarHBondContact O-CG 3.27Å; F166-E190 HydrophobicContact CD1-CG 4.5Å; F166-E190 HydrophobicContact CD2-CB 3.51Å; F166-E190 HydrophobicContact CD2-CG 4.14Å; F166-E190 HydrophobicContact CE1-CB 4.39Å; F166-E190 HydrophobicContact CE2-CB 3.34Å; F166-E190 HydrophobicContact CE2-CG 4.26Å; F166-E190 HydrophobicContact CG-CB 4.11Å; F166-E190 HydrophobicContact CG-CG 4.25Å; F166-E190 HydrophobicContact CZ-CB 3.79Å; F166-E190 HydrophobicContact CZ-CG 4.45Å; R170-E190 IonicContact CZ-OE1 3.54Å; R170-E190 IonicContact CZ-OE2 2.72Å; R170-E190 IonicContact NE-OE1 2.82Å; R170-E190 PolarHBondContact NE-OE1 3.37Å; R170-E190 IonicContact NE-OE2 3.09Å; R170-E190 IonicContact NH2-OE1 2.7Å; R170-E190 PolarHBondContact NH2-OE1 3.21Å; R170-E190 IonicContact NH2-OE2 3.87Å; R170-E190 PolarHBondContact NH2-OE2 2.88Å | ||
| 191 | R | 92.3 | Very high | 92.6 | Very high | 112 Ų | 112 | 45.7 Ų | 45.7 | 42% | 0.423 | 24% | 0.242 | S | C | . | . | trans | -114.9 | -17.9 | 177.3 | -67 | -62.6 | -173.9 | 161.1 | -0.2 | 113.2 | M164 R238 K239 M240 H241 | M164-R191 PolarHBondContact O-N 3.44Å; R191-R238 PolarHBondContact NH1-O 2.9Å; R191-K239 PolarHBondContact NH1-O 3.44Å; R191-M240 CarbonylContact O-C 3.51Å; R191-M240 VanDerWaalsContact O-CA 3.29Å; R191-M240 WeakPolarHBondContact O-CA 3.34Å; R191-H241 PolarHBondContact O-N 3.06Å | ||
| 192 | F | 94.2 | Very high | 92 | Very high | 1 Ų | 1 | 44.4 Ų | 44.4 | 0% | 0.004 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 107.2 | -170.4 | -68.5 | -87.4 | 0 | 0 | 0 | 110.9 | V143 H163 M164 F165 F166 E194 H241 F243 F287 | V143-F192 HydrophobicContact CB-CD2 4.31Å; V143-F192 HydrophobicContact CG1-CB 3.97Å; V143-F192 HydrophobicContact CG1-CD1 4.49Å; V143-F192 HydrophobicContact CG1-CD2 3.57Å; V143-F192 HydrophobicContact CG1-CE2 4.28Å; V143-F192 HydrophobicContact CG1-CG 3.72Å; V143-F192 HydrophobicContact CG2-CD1 4.11Å; V143-F192 HydrophobicContact CG2-CD2 3.68Å; V143-F192 HydrophobicContact CG2-CE1 3.96Å; V143-F192 HydrophobicContact CG2-CE2 3.54Å; V143-F192 HydrophobicContact CG2-CG 3.99Å; V143-F192 HydrophobicContact CG2-CZ 3.69Å; H163-F192 HydrophobicContact CB-CD2 4.08Å; H163-F192 HydrophobicContact CB-CE2 3.68Å; H163-F192 AromaticContact CD2-CE2 3.97Å; M164-F192 PolarHBondContact O-N 3.43Å; F165-F192 CarbonylContact C-O 3.52Å; F165-F192 WeakPolarHBondContact CA-O 3.48Å; F165-F192 HydrophobicContact CB-CB 3.84Å; F165-F192 VanDerWaalsContact CB-O 3.27Å; F165-F192 WeakPolarHBondContact CB-O 3.39Å; F166-F192 WeakPolarHBondContact CD2-O 2.99Å; F166-F192 PolarHBondContact N-O 3.28Å; F192-E194 WeakPolarHBondContact CB-OE1 3.27Å; F192-E194 PolarHBondContact O-N 3.07Å; F192-H241 HydrophobicContact CD1-CB 3.65Å; F192-H241 HydrophobicContact CE1-CB 3.61Å; F192-H241 AromaticContact CE1-CD2 3.39Å; F192-H241 WeakPolarHBondContact CE1-CD2 3.48Å; F192-H241 AromaticContact CE1-CG 3.58Å; F192-H241 HydrophobicContact CZ-CB 4.47Å; F192-H241 AromaticContact CZ-CD2 3.37Å; F192-H241 WeakPolarHBondContact CZ-CD2 3.38Å; F192-F243 HydrophobicContact CD1-CD2 4.2Å; F192-F243 HydrophobicContact CD1-CE1 4.44Å; F192-F243 AromaticContact CD1-CE2 3.36Å; F192-F243 HydrophobicContact CD1-CE2 3.36Å; F192-F243 AromaticContact CD1-CZ 3.53Å; F192-F243 HydrophobicContact CD1-CZ 3.53Å; F192-F243 AromaticContact CE1-CE2 3.83Å; F192-F243 HydrophobicContact CE1-CE2 3.83Å; F192-F243 AromaticContact CE1-CZ 3.6Å; F192-F243 HydrophobicContact CE1-CZ 3.6Å; F192-F243 HydrophobicContact CG-CE2 4.45Å; F192-F287 AromaticContact CE1-CE2 3.62Å; F192-F287 HydrophobicContact CE1-CE2 3.62Å; F192-F287 AromaticContact CE1-CZ 3.47Å; F192-F287 HydrophobicContact CE1-CZ 3.47Å; F192-F287 VanDerWaalsContact CE1-CZ 3.47Å; F192-F287 HydrophobicContact CZ-CE1 4.37Å; F192-F287 AromaticContact CZ-CE2 3.73Å; F192-F287 HydrophobicContact CZ-CE2 3.73Å; F192-F287 AromaticContact CZ-CZ 3.38Å; F192-F287 HydrophobicContact CZ-CZ 3.38Å |
| 193 | L | 95.2 | Very high | 91.3 | Very high | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 100.3 | 174.2 | 179.3 | 65 | 0 | 0 | 0 | 109.2 | F166 V171 L174 I195 L235 H241 V242 F243 | F166-L193 HydrophobicContact CB-CD1 4.01Å; F166-L193 HydrophobicContact CD1-CD1 4.42Å; F166-L193 HydrophobicContact CD2-CB 4.16Å; F166-L193 HydrophobicContact CD2-CD1 4.01Å; F166-L193 HydrophobicContact CE2-CB 4.45Å; F166-L193 HydrophobicContact CG-CD1 3.9Å; V171-L193 HydrophobicContact CG1-CD1 4.35Å; V171-L193 HydrophobicContact CG2-CD1 3.83Å; L174-L193 HydrophobicContact CD2-CD1 3.87Å; L174-L193 HydrophobicContact CD2-CD2 3.75Å; L174-L193 HydrophobicContact CD2-CG 4.41Å; L193-I195 HydrophobicContact CD1-CG2 3.67Å; L193-I195 HydrophobicContact CD2-CD1 4.1Å; L193-I195 HydrophobicContact CG-CD1 4.33Å; L193-I195 HydrophobicContact CG-CG1 4.46Å; L193-I195 HydrophobicContact CG-CG2 3.95Å; L193-L235 HydrophobicContact CD2-CD1 3.42Å; L193-L235 VanDerWaalsContact CD2-CD1 3.42Å; L193-H241 PolarHBondContact N-O 3.06Å; L193-V242 HydrophobicContact CB-CG2 4.39Å; L193-V242 HydrophobicContact CD2-CG1 4.37Å; L193-V242 HydrophobicContact CD2-CG2 4.47Å; L193-V242 CarbonylContact O-C 3.13Å; L193-V242 WeakPolarHBondContact O-CA 3.46Å; L193-F243 PolarHBondContact O-N 2.58Å |
| 194 | E | 94 | Very high | 90.8 | Very high | 22 Ų | 22 | 44.4 Ų | 44.4 | 10% | 0.103 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 112.2 | 177.1 | -74.1 | 154.3 | -136.6 | 0 | 0 | 109 | N115 F165 F192 F243 M265 | N115-E194 PolarHBondContact ND2-OE1 3.2Å; N115-E194 VanDerWaalsContact ND2-OE1 3.12Å; N115-E194 PolarHBondContact ND2-OE2 3.34Å; F165-E194 HydrophobicContact CB-CG 4.43Å; F165-E194 WeakPolarHBondContact CB-OE1 3.33Å; F165-E194 WeakPolarHBondContact CD1-OE2 3.43Å; F165-E194 WeakPolarHBondContact CG-OE2 3.44Å; F192-E194 WeakPolarHBondContact CB-OE1 3.27Å; F192-E194 PolarHBondContact O-N 3.07Å; E194-F243 WeakPolarHBondContact CA-O 3.35Å; E194-F243 HydrophobicContact CG-CB 3.87Å; E194-F243 HydrophobicContact CG-CD2 3.81Å; E194-F243 HydrophobicContact CG-CG 4.28Å; E194-M265 HydrophobicContact CG-CE 3.77Å |
| 195 | I | 94.2 | Very high | 90.6 | Very high | 4 Ų | 4 | 44.4 Ų | 44.4 | 2% | 0.021 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 146.4 | -175.8 | 56.7 | 178.6 | 0 | 0 | 0 | 111.9 | V171 L193 L226 L227 F232 F243 L244 W245 | V171-I195 HydrophobicContact CG1-CG2 3.9Å; V171-I195 HydrophobicContact CG2-CG2 4.13Å; L193-I195 HydrophobicContact CD1-CG2 3.67Å; L193-I195 HydrophobicContact CD2-CD1 4.1Å; L193-I195 HydrophobicContact CG-CD1 4.33Å; L193-I195 HydrophobicContact CG-CG1 4.46Å; L193-I195 HydrophobicContact CG-CG2 3.95Å; I195-L226 HydrophobicContact CD1-CB 4.46Å; I195-L227 HydrophobicContact CD1-CD2 3.86Å; I195-L227 HydrophobicContact CG1-CD2 4.32Å; I195-F232 HydrophobicContact CD1-CE1 4.16Å; I195-F232 HydrophobicContact CD1-CZ 4.25Å; I195-F243 PolarHBondContact N-O 3.26Å; I195-L244 HydrophobicContact CD1-CD2 4.12Å; I195-L244 HydrophobicContact CG1-CD2 3.53Å; I195-L244 WeakPolarHBondContact O-CA 3.44Å; I195-L244 WeakPolarHBondContact O-CD2 3.46Å; I195-W245 PolarHBondContact O-N 3.36Å |
| 196 | P | 92.7 | Very high | 90.2 | Very high | 27 Ų | 27 | 42.3 Ų | 42.3 | 18% | 0.175 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 146.9 | 179.6 | 29.2 | -34.4 | 0 | 0 | 0 | 111.9 | L198 W245 | P196-L198 HydrophobicContact CB-CD2 4.28Å; P196-L198 HydrophobicContact CG-CD2 3.8Å; P196-L198 PolarHBondContact O-N 2.7Å; P196-W245 WeakPolarHBondContact CA-O 3.39Å; P196-W245 HydrophobicContact CB-CD2 4.06Å; P196-W245 HydrophobicContact CB-CE3 3.93Å; P196-W245 HydrophobicContact CB-CH2 3.99Å; P196-W245 HydrophobicContact CB-CZ2 4.11Å; P196-W245 HydrophobicContact CB-CZ3 3.89Å; P196-W245 HydrophobicContact CG-CH2 4.18Å; P196-W245 HydrophobicContact CG-CZ2 4.12Å |
| 197 | M | 93.7 | Very high | 89.9 | Confident | 2 Ų | 2 | 41.9 Ų | 41.9 | 1% | 0.01 | 22% | 0.22 | C | C | . | . | trans | -81.5 | 102.4 | 158 | -171.8 | -178.6 | -60.4 | 0 | 0 | 108.2 | T199 A200 L227 L244 W245 L247 Q252 R255 A256 | M197-T199 PolarHBondContact O-N 3.16Å; M197-T199 VanDerWaalsContact O-N 3.15Å; M197-A200 HydrophobicContact CB-CB 4.19Å; M197-A200 HydrophobicContact CG-CB 4.47Å; M197-A200 WeakPolarHBondContact O-CB 3.26Å; M197-A200 PolarHBondContact O-N 3.13Å; M197-L227 HydrophobicContact CB-CD1 4.34Å; M197-L227 HydrophobicContact CG-CD1 3.83Å; M197-L244 HydrophobicContact CE-CD1 4.04Å; M197-W245 PolarHBondContact N-O 3.26Å; M197-L247 HydrophobicContact CB-CD2 3.49Å; M197-L247 VanDerWaalsContact CB-CD2 3.49Å; M197-L247 HydrophobicContact CE-CD1 3.79Å; M197-L247 HydrophobicContact CE-CD2 4.08Å; M197-L247 HydrophobicContact CG-CD2 4.4Å; M197-L247 HydrophobicContact SD-CD2 4.23Å; M197-Q252 HydrophobicContact SD-CB 4.44Å; M197-R255 HydrophobicContact CE-CB 4.21Å; M197-R255 HydrophobicContact CE-CG 4.1Å; M197-R255 PolarHBondContact SD-NH1 2.73Å; M197-A256 HydrophobicContact CE-CB 4.3Å | ||
| 198 | L | 93.3 | Very high | 89.8 | Confident | 36 Ų | 36 | 40.8 Ų | 40.8 | 19% | 0.188 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -28.4 | -171 | -66.6 | -178 | 0 | 0 | 0 | 113 | P196 V201 S202 M219 D223 L226 | P196-L198 HydrophobicContact CB-CD2 4.28Å; P196-L198 HydrophobicContact CG-CD2 3.8Å; P196-L198 PolarHBondContact O-N 2.7Å; L198-V201 WeakPolarHBondContact O-CG2 3.49Å; L198-S202 PolarHBondContact O-N 2.99Å; L198-M219 HydrophobicContact CB-CB 4.02Å; L198-M219 HydrophobicContact CB-CG 4.37Å; L198-M219 HydrophobicContact CB-SD 3.75Å; L198-M219 HydrophobicContact CD1-SD 4.4Å; L198-M219 HydrophobicContact CD2-SD 4.27Å; L198-M219 HydrophobicContact CG-SD 4.38Å; L198-M219 WeakPolarHBondContact O-CB 3.42Å; L198-M219 VanDerWaalsContact O-CG 3.32Å; L198-M219 WeakPolarHBondContact O-CG 3.45Å; L198-D223 WeakPolarHBondContact CA-OD1 3.43Å; L198-D223 VanDerWaalsContact CB-OD1 3.3Å; L198-D223 WeakPolarHBondContact CB-OD1 3.45Å; L198-D223 PolarHBondContact N-OD1 2.69Å; L198-L226 HydrophobicContact CD1-CD1 3.55Å; L198-L226 HydrophobicContact CD2-CD1 4.45Å; L198-L226 HydrophobicContact CG-CD1 3.83Å |
| 199 | T | 92.4 | Very high | 89.9 | Confident | 32 Ų | 32 | 46.3 Ų | 46.3 | 20% | 0.196 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -29.1 | 173.5 | 56.9 | 0 | 0 | 0 | 0 | 113.8 | M197 S202 M219 K220 D223 R255 | M197-T199 PolarHBondContact O-N 3.16Å; M197-T199 VanDerWaalsContact O-N 3.15Å; T199-S202 VanDerWaalsContact O-CB 3.27Å; T199-S202 WeakPolarHBondContact O-CB 3.44Å; T199-S202 PolarHBondContact O-N 2.82Å; T199-S202 PolarHBondContact O-OG 2.92Å; T199-M219 HydrophobicContact CG2-CB 4.44Å; T199-K220 HydrophobicContact CG2-CG 3.7Å; T199-D223 WeakPolarHBondContact CG2-OD2 3.31Å; T199-D223 PolarHBondContact OG1-OD2 2.97Å; T199-D223 VanDerWaalsContact OG1-OD2 3.09Å; T199-R255 PolarHBondContact OG1-NH1 2.87Å |
| 200 | A | 88.6 | Confident | 90 | Very high | 10 Ų | 10 | 47.5 Ų | 47.5 | 8% | 0.083 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -64.4 | -45.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | M197 S202 S203 L247 | M197-A200 HydrophobicContact CB-CB 4.19Å; M197-A200 HydrophobicContact CG-CB 4.47Å; M197-A200 WeakPolarHBondContact O-CB 3.26Å; M197-A200 PolarHBondContact O-N 3.13Å; A200-S202 PolarHBondContact O-N 3.17Å; A200-S203 PolarHBondContact O-OG 2.71Å; A200-L247 HydrophobicContact CB-CD2 3.94Å |
| 201 | V | 84.7 | Confident | 89.9 | Confident | 18 Ų | 18 | 50.2 Ų | 50.2 | 11% | 0.109 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -77.9 | 2.2 | 176.4 | -50.7 | 0 | 0 | 0 | 0 | 114.1 | L198 S203 Y204 V207 | L198-V201 WeakPolarHBondContact O-CG2 3.49Å; V201-S203 PolarHBondContact O-N 3.24Å; V201-Y204 HydrophobicContact CB-CD2 3.55Å; V201-Y204 HydrophobicContact CB-CE2 3.56Å; V201-Y204 HydrophobicContact CB-CG 4.13Å; V201-Y204 HydrophobicContact CG1-CD2 3.93Å; V201-Y204 HydrophobicContact CG1-CE2 3.38Å; V201-Y204 WeakPolarHBondContact O-CB 3.33Å; V201-Y204 PolarHBondContact O-N 3.21Å; V201-Y204 VanDerWaalsContact O-N 3.12Å; V201-V207 WeakPolarHBondContact O-CG2 3.34Å |
| 202 | S | 84.8 | Confident | 89.8 | Confident | 17 Ų | 17 | 46.7 Ų | 46.7 | 12% | 0.119 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -70.3 | -19.4 | -175 | 73.2 | 0 | 0 | 0 | 0 | 114 | L198 T199 A200 R208 | L198-S202 PolarHBondContact O-N 2.99Å; T199-S202 VanDerWaalsContact O-CB 3.27Å; T199-S202 WeakPolarHBondContact O-CB 3.44Å; T199-S202 PolarHBondContact O-N 2.82Å; T199-S202 PolarHBondContact O-OG 2.92Å; A200-S202 PolarHBondContact O-N 3.17Å; S202-R208 PolarHBondContact O-NE 2.9Å; S202-R208 VanDerWaalsContact O-NE 3.09Å; S202-R208 PolarHBondContact O-NH2 3.43Å |
| 203 | S | 80.9 | Confident | 89.6 | Confident | 65 Ų | 65 | 53.9 Ų | 53.9 | 46% | 0.455 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | -73.9 | -26.7 | 171.5 | 47.9 | 0 | 0 | 0 | 0 | 113.2 | A200 V201 R208 | A200-S203 PolarHBondContact O-OG 2.71Å; V201-S203 PolarHBondContact O-N 3.24Å; S203-R208 VanDerWaalsContact O-CG 3.29Å; S203-R208 WeakPolarHBondContact O-CG 3.25Å |
| 204 | Y | 84.7 | Confident | 89.5 | Confident | 21 Ų | 21 | 59.8 Ų | 59.8 | 8% | 0.082 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -61 | 141.2 | -164.6 | -66.3 | -3.2 | 0 | 0 | 0 | 112.7 | T82 D83 V201 E206 V207 R208 | T82-Y204 WeakPolarHBondContact O-CD2 3.41Å; T82-Y204 VanDerWaalsContact O-CG 3.31Å; D83-Y204 HydrophobicContact CB-CD1 4.3Å; D83-Y204 HydrophobicContact CB-CE1 3.63Å; D83-Y204 VanDerWaalsContact OD2-CE1 3.3Å; D83-Y204 WeakPolarHBondContact OD2-CE1 3.13Å; V201-Y204 HydrophobicContact CB-CD2 3.55Å; V201-Y204 HydrophobicContact CB-CE2 3.56Å; V201-Y204 HydrophobicContact CB-CG 4.13Å; V201-Y204 HydrophobicContact CG1-CD2 3.93Å; V201-Y204 HydrophobicContact CG1-CE2 3.38Å; V201-Y204 WeakPolarHBondContact O-CB 3.33Å; V201-Y204 PolarHBondContact O-N 3.21Å; V201-Y204 VanDerWaalsContact O-N 3.12Å; Y204-E206 VanDerWaalsContact C-N 3.33Å; Y204-E206 PolarHBondContact O-N 3.15Å; Y204-V207 PolarHBondContact O-N 2.89Å; Y204-R208 WeakPolarHBondContact O-CG 3.33Å; Y204-R208 PolarHBondContact O-N 3.06Å |
| 205 | P | 86.4 | Confident | 89.3 | Confident | 69 Ų | 69 | 58.8 Ų | 58.8 | 45% | 0.448 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -54.2 | -43.5 | -173.2 | -28.4 | 35 | 0 | 0 | 0 | 114.2 | P84 R208 K209 | P84-P205 HydrophobicContact CG-CG 3.93Å; P205-R208 PolarHBondContact O-N 3.02Å; P205-K209 WeakPolarHBondContact O-CB 3.43Å; P205-K209 PolarHBondContact O-N 3.15Å |
| 206 | E | 86.2 | Confident | 89.2 | Confident | 122 Ų | 122 | 62 Ų | 62 | 57% | 0.57 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -69.9 | -34.2 | -179.8 | -68.2 | -58.1 | 135.8 | 0 | 0 | 112.6 | Y204 K209 K210 | Y204-E206 VanDerWaalsContact C-N 3.33Å; Y204-E206 PolarHBondContact O-N 3.15Å; E206-K209 IonicContact OE1-NZ 3.63Å; E206-K209 PolarHBondContact OE1-NZ 3.31Å; E206-K209 WeakPolarHBondContact OE2-CD 3.35Å; E206-K209 IonicContact OE2-NZ 3.25Å; E206-K209 PolarHBondContact OE2-NZ 3.43Å; E206-K210 VanDerWaalsContact O-CB 3.26Å; E206-K210 WeakPolarHBondContact O-CB 3.35Å; E206-K210 PolarHBondContact O-N 2.81Å |
| 207 | V | 85.5 | Confident | 89.3 | Confident | 28 Ų | 28 | 65.5 Ų | 65.5 | 17% | 0.17 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -68.3 | -44.5 | 174.3 | 178.9 | 0 | 0 | 0 | 0 | 110.6 | V201 Y204 K210 F211 A215 M219 | V201-V207 WeakPolarHBondContact O-CG2 3.34Å; Y204-V207 PolarHBondContact O-N 2.89Å; V207-K210 PolarHBondContact O-N 2.85Å; V207-F211 HydrophobicContact CG1-CD2 4.1Å; V207-F211 PolarHBondContact O-N 3.5Å; V207-A215 HydrophobicContact CG1-CB 4.41Å; V207-M219 HydrophobicContact CG1-CE 3.82Å; V207-M219 HydrophobicContact CG1-CG 4.35Å; V207-M219 HydrophobicContact CG1-SD 4.31Å |
| 208 | R | 88.3 | Confident | 89.3 | Confident | 88 Ų | 88 | 68.6 Ų | 68.6 | 33% | 0.332 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -60.9 | -43.4 | 174.3 | -71.4 | -72.6 | -179.4 | -143.7 | -14.4 | 112.2 | S202 S203 Y204 P205 G212 N216 | S202-R208 PolarHBondContact O-NE 2.9Å; S202-R208 VanDerWaalsContact O-NE 3.09Å; S202-R208 PolarHBondContact O-NH2 3.43Å; S203-R208 VanDerWaalsContact O-CG 3.29Å; S203-R208 WeakPolarHBondContact O-CG 3.25Å; Y204-R208 WeakPolarHBondContact O-CG 3.33Å; Y204-R208 PolarHBondContact O-N 3.06Å; P205-R208 PolarHBondContact O-N 3.02Å; R208-G212 WeakPolarHBondContact O-CA 3.29Å; R208-G212 PolarHBondContact O-N 2.93Å; R208-N216 VanDerWaalsContact CZ-OD1 3.25Å; R208-N216 PolarHBondContact NH1-OD1 2.99Å; R208-N216 PolarHBondContact NH2-OD1 2.91Å |
| 209 | K | 91.7 | Very high | 89.3 | Confident | 153 Ų | 153 | 67.6 Ų | 67.6 | 67% | 0.665 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -65.1 | -37.4 | 177.3 | 178.1 | 179.2 | 165.2 | -153.8 | 0 | 112.4 | P205 E206 | P205-K209 WeakPolarHBondContact O-CB 3.43Å; P205-K209 PolarHBondContact O-N 3.15Å; E206-K209 IonicContact OE1-NZ 3.63Å; E206-K209 PolarHBondContact OE1-NZ 3.31Å; E206-K209 WeakPolarHBondContact OE2-CD 3.35Å; E206-K209 IonicContact OE2-NZ 3.25Å; E206-K209 PolarHBondContact OE2-NZ 3.43Å |
| 210 | K | 91.7 | Very high | 89.4 | Confident | 162 Ų | 162 | 72.8 Ų | 72.8 | 70% | 0.704 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -76.8 | -39.2 | -179.7 | -173.2 | 171.5 | -178.2 | 174.9 | 0 | 114.1 | E206 V207 | E206-K210 VanDerWaalsContact O-CB 3.26Å; E206-K210 WeakPolarHBondContact O-CB 3.35Å; E206-K210 PolarHBondContact O-N 2.81Å; V207-K210 PolarHBondContact O-N 2.85Å |
| 211 | F | 91.8 | Very high | 89.7 | Confident | 65 Ų | 65 | 77.7 Ų | 77.7 | 29% | 0.285 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -116.3 | -7.6 | -171.7 | -62.1 | -69 | 0 | 0 | 0 | 114.9 | V207 I213 F214 A215 I218 M219 | V207-F211 HydrophobicContact CG1-CD2 4.1Å; V207-F211 PolarHBondContact O-N 3.5Å; F211-I213 PolarHBondContact O-N 2.85Å; F211-F214 PolarHBondContact O-N 2.89Å; F211-F214 VanDerWaalsContact O-N 3.12Å; F211-A215 HydrophobicContact CB-CB 3.86Å; F211-I218 HydrophobicContact CB-CD1 4.21Å; F211-I218 HydrophobicContact CD1-CD1 3.49Å; F211-I218 VanDerWaalsContact CD1-CD1 3.49Å; F211-I218 HydrophobicContact CD1-CG2 4.41Å; F211-I218 HydrophobicContact CE1-CD1 4.13Å; F211-I218 HydrophobicContact CE1-CG2 4.26Å; F211-I218 HydrophobicContact CG-CD1 4.09Å; F211-M219 HydrophobicContact CD2-CE 3.59Å; F211-M219 HydrophobicContact CE2-CE 3.41Å; F211-M219 VanDerWaalsContact CE2-CE 3.41Å; F211-M219 HydrophobicContact CG-CE 4.48Å; F211-M219 HydrophobicContact CZ-CE 4.19Å |
| 212 | G | 91.3 | Very high | 90.2 | Very high | 37 Ų | 37 | 77.7 Ų | 77.7 | 38% | 0.381 | 39% | 0.394 | S | S | . | . | G | 310 helix | trans | 54.9 | -135.6 | 178 | 0 | 0 | 0 | 0 | 0 | 113.1 | R208 F214 A215 | R208-G212 WeakPolarHBondContact O-CA 3.29Å; R208-G212 PolarHBondContact O-N 2.93Å; G212-F214 PolarHBondContact O-N 3.08Å; G212-A215 WeakPolarHBondContact O-CB 3.4Å; G212-A215 PolarHBondContact O-N 2.71Å |
| 213 | I | 90.6 | Very high | 90.7 | Very high | 152 Ų | 152 | 77 Ų | 77 | 78% | 0.779 | 39% | 0.389 | S | S | * | . | G | 310 helix | trans | -61.9 | -22.1 | 178.3 | 62.2 | 173 | 0 | 0 | 0 | 113.6 | F211 | F211-I213 PolarHBondContact O-N 2.85Š|
| 214 | F | 91.7 | Very high | 91.3 | Very high | 126 Ų | 126 | 77.2 Ų | 77.2 | 55% | 0.553 | 40% | 0.395 | S | S | * | . | G | 310 helix | trans | -85.5 | -8.1 | -179.1 | -63.8 | -72.5 | 0 | 0 | 0 | 113.6 | F211 G212 N216 L217 I218 | F211-F214 PolarHBondContact O-N 2.89Å; F211-F214 VanDerWaalsContact O-N 3.12Å; G212-F214 PolarHBondContact O-N 3.08Å; F214-N216 VanDerWaalsContact C-N 3.31Å; F214-N216 PolarHBondContact O-N 2.89Å; F214-L217 PolarHBondContact O-N 2.8Å; F214-I218 HydrophobicContact CB-CD1 3.94Å; F214-I218 HydrophobicContact CB-CG1 4.38Å; F214-I218 WeakPolarHBondContact O-CG1 3.49Å; F214-I218 PolarHBondContact O-N 3.42Å |
| 215 | A | 91 | Very high | 91.8 | Very high | 0 Ų | 0 | 80.2 Ų | 80.2 | 0% | 0 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -48.1 | -50.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | V207 F211 G212 L217 I218 M219 | V207-A215 HydrophobicContact CG1-CB 4.41Å; F211-A215 HydrophobicContact CB-CB 3.86Å; G212-A215 WeakPolarHBondContact O-CB 3.4Å; G212-A215 PolarHBondContact O-N 2.71Å; A215-L217 VanDerWaalsContact C-N 3.29Å; A215-L217 PolarHBondContact O-N 3.4Å; A215-I218 PolarHBondContact O-N 3.48Å; A215-M219 WeakPolarHBondContact O-CB 3.46Å; A215-M219 VanDerWaalsContact O-CG 3.24Å; A215-M219 WeakPolarHBondContact O-CG 3.42Å; A215-M219 PolarHBondContact O-N 2.81Å |
| 216 | N | 91.6 | Very high | 92.2 | Very high | 73 Ų | 73 | 78 Ų | 78 | 39% | 0.39 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -61.1 | -35.7 | -178.7 | -66.6 | 0.9 | 0 | 0 | 0 | 113 | R208 F214 K220 | R208-N216 VanDerWaalsContact CZ-OD1 3.25Å; R208-N216 PolarHBondContact NH1-OD1 2.99Å; R208-N216 PolarHBondContact NH2-OD1 2.91Å; F214-N216 VanDerWaalsContact C-N 3.31Å; F214-N216 PolarHBondContact O-N 2.89Å; N216-K220 WeakPolarHBondContact O-CB 3.5Å; N216-K220 WeakPolarHBondContact O-CG 3.44Å; N216-K220 PolarHBondContact O-N 2.68Å |
| 217 | L | 93.6 | Very high | 92.7 | Very high | 100 Ų | 100 | 72.5 Ų | 72.5 | 52% | 0.524 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -74.5 | -46.1 | 179.2 | 177.6 | 61.1 | 0 | 0 | 0 | 110.8 | F214 A215 K220 L221 | F214-L217 PolarHBondContact O-N 2.8Å; A215-L217 VanDerWaalsContact C-N 3.29Å; A215-L217 PolarHBondContact O-N 3.4Å; L217-K220 PolarHBondContact O-N 3.11Å; L217-L221 HydrophobicContact CD1-CD1 4.33Å; L217-L221 HydrophobicContact CD1-CG 4.44Å; L217-L221 HydrophobicContact CG-CD1 4.26Å; L217-L221 WeakPolarHBondContact O-CG 3.3Å; L217-L221 PolarHBondContact O-N 3.09Å |
| 218 | I | 93.8 | Very high | 93.1 | Very high | 67 Ų | 67 | 72.2 Ų | 72.2 | 34% | 0.344 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62.9 | -45.1 | -179.8 | -66.7 | 171.2 | 0 | 0 | 0 | 110.3 | F211 F214 A215 L221 G222 | F211-I218 HydrophobicContact CB-CD1 4.21Å; F211-I218 HydrophobicContact CD1-CD1 3.49Å; F211-I218 VanDerWaalsContact CD1-CD1 3.49Å; F211-I218 HydrophobicContact CD1-CG2 4.41Å; F211-I218 HydrophobicContact CE1-CD1 4.13Å; F211-I218 HydrophobicContact CE1-CG2 4.26Å; F211-I218 HydrophobicContact CG-CD1 4.09Å; F214-I218 HydrophobicContact CB-CD1 3.94Å; F214-I218 HydrophobicContact CB-CG1 4.38Å; F214-I218 WeakPolarHBondContact O-CG1 3.49Å; F214-I218 PolarHBondContact O-N 3.42Å; A215-I218 PolarHBondContact O-N 3.48Å; I218-L221 PolarHBondContact O-N 3.18Å; I218-G222 PolarHBondContact O-N 3Å |
| 219 | M | 94.3 | Very high | 93.3 | Very high | 15 Ų | 15 | 71.8 Ų | 71.8 | 7% | 0.074 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -64.8 | -39.3 | 177.4 | -65.1 | -52.5 | 129 | 0 | 0 | 112.3 | L198 T199 V207 F211 A215 L221 G222 D223 | L198-M219 HydrophobicContact CB-CB 4.02Å; L198-M219 HydrophobicContact CB-CG 4.37Å; L198-M219 HydrophobicContact CB-SD 3.75Å; L198-M219 HydrophobicContact CD1-SD 4.4Å; L198-M219 HydrophobicContact CD2-SD 4.27Å; L198-M219 HydrophobicContact CG-SD 4.38Å; L198-M219 WeakPolarHBondContact O-CB 3.42Å; L198-M219 VanDerWaalsContact O-CG 3.32Å; L198-M219 WeakPolarHBondContact O-CG 3.45Å; T199-M219 HydrophobicContact CG2-CB 4.44Å; V207-M219 HydrophobicContact CG1-CE 3.82Å; V207-M219 HydrophobicContact CG1-CG 4.35Å; V207-M219 HydrophobicContact CG1-SD 4.31Å; F211-M219 HydrophobicContact CD2-CE 3.59Å; F211-M219 HydrophobicContact CE2-CE 3.41Å; F211-M219 VanDerWaalsContact CE2-CE 3.41Å; F211-M219 HydrophobicContact CG-CE 4.48Å; F211-M219 HydrophobicContact CZ-CE 4.19Å; A215-M219 WeakPolarHBondContact O-CB 3.46Å; A215-M219 VanDerWaalsContact O-CG 3.24Å; A215-M219 WeakPolarHBondContact O-CG 3.42Å; A215-M219 PolarHBondContact O-N 2.81Å; M219-L221 PolarHBondContact O-N 2.84Å; M219-G222 PolarHBondContact O-N 2.93Å; M219-D223 WeakPolarHBondContact O-CB 3Å; M219-D223 PolarHBondContact O-N 3.33Å |
| 220 | K | 94 | Very high | 93.4 | Very high | 140 Ų | 140 | 67.1 Ų | 67.1 | 61% | 0.609 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -62.7 | -37.8 | 173.4 | -79.4 | 178.1 | 179.9 | -171.9 | 0 | 113.2 | T199 N216 L217 A224 | T199-K220 HydrophobicContact CG2-CG 3.7Å; N216-K220 WeakPolarHBondContact O-CB 3.5Å; N216-K220 WeakPolarHBondContact O-CG 3.44Å; N216-K220 PolarHBondContact O-N 2.68Å; L217-K220 PolarHBondContact O-N 3.11Å; K220-A224 PolarHBondContact O-N 3.07Å; K220-A224 VanDerWaalsContact O-N 3.08Å |
| 221 | L | 94.9 | Very high | 93.6 | Very high | 113 Ų | 113 | 59.4 Ų | 59.4 | 59% | 0.592 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -70.5 | -39.3 | 176 | -69.9 | 171.6 | 0 | 0 | 0 | 111.8 | L217 I218 M219 A224 L225 | L217-L221 HydrophobicContact CD1-CD1 4.33Å; L217-L221 HydrophobicContact CD1-CG 4.44Å; L217-L221 HydrophobicContact CG-CD1 4.26Å; L217-L221 WeakPolarHBondContact O-CG 3.3Å; L217-L221 PolarHBondContact O-N 3.09Å; I218-L221 PolarHBondContact O-N 3.18Å; M219-L221 PolarHBondContact O-N 2.84Å; L221-A224 PolarHBondContact O-N 3.17Å; L221-L225 PolarHBondContact O-N 3.39Å |
| 222 | G | 95.1 | Very high | 93.7 | Very high | 19 Ų | 19 | 56.3 Ų | 56.3 | 20% | 0.196 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64.2 | -42.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | I218 M219 A224 L225 L226 | I218-G222 PolarHBondContact O-N 3Å; M219-G222 PolarHBondContact O-N 2.93Å; G222-A224 VanDerWaalsContact C-N 3.34Å; G222-A224 PolarHBondContact O-N 3.15Å; G222-L225 WeakPolarHBondContact O-CB 3.35Å; G222-L225 PolarHBondContact O-N 2.89Å; G222-L225 VanDerWaalsContact O-N 3.09Å; G222-L226 WeakPolarHBondContact O-CB 3.39Å; G222-L226 PolarHBondContact O-N 3.23Å |
| 223 | D | 95.3 | Very high | 93.7 | Very high | 2 Ų | 2 | 58.1 Ų | 58.1 | 1% | 0.011 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -58.5 | -41.9 | 172.2 | -94.9 | 9.2 | 0 | 0 | 0 | 112.5 | L198 T199 M219 L225 L226 L227 R255 | L198-D223 WeakPolarHBondContact CA-OD1 3.43Å; L198-D223 VanDerWaalsContact CB-OD1 3.3Å; L198-D223 WeakPolarHBondContact CB-OD1 3.45Å; L198-D223 PolarHBondContact N-OD1 2.69Å; T199-D223 WeakPolarHBondContact CG2-OD2 3.31Å; T199-D223 PolarHBondContact OG1-OD2 2.97Å; T199-D223 VanDerWaalsContact OG1-OD2 3.09Å; M219-D223 WeakPolarHBondContact O-CB 3Å; M219-D223 PolarHBondContact O-N 3.33Å; D223-L225 PolarHBondContact O-N 3.49Å; D223-L226 PolarHBondContact O-N 3.08Å; D223-L227 HydrophobicContact CB-CD1 4.07Å; D223-L227 HydrophobicContact CB-CG 4.47Å; D223-L227 VanDerWaalsContact CG-CD1 3.5Å; D223-L227 WeakPolarHBondContact O-CA 3.49Å; D223-L227 VanDerWaalsContact O-CB 3.24Å; D223-L227 WeakPolarHBondContact O-CB 3.31Å; D223-L227 PolarHBondContact O-N 3.22Å; D223-L227 WeakPolarHBondContact OD1-CD1 3.22Å; D223-R255 IonicContact OD2-CZ 3.18Å; D223-R255 IonicContact OD2-NH1 2.78Å; D223-R255 PolarHBondContact OD2-NH1 2.92Å; D223-R255 IonicContact OD2-NH2 3.9Å; D223-R255 PolarHBondContact OD2-NH2 3.21Å |
| 224 | A | 94.1 | Very high | 93.8 | Very high | 70 Ų | 70 | 52.3 Ų | 52.3 | 58% | 0.579 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -64.2 | -21.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y179 K220 L221 G222 | Y179-A224 PolarHBondContact OH-O 2.7Å; K220-A224 PolarHBondContact O-N 3.07Å; K220-A224 VanDerWaalsContact O-N 3.08Å; L221-A224 PolarHBondContact O-N 3.17Å; G222-A224 VanDerWaalsContact C-N 3.34Å; G222-A224 PolarHBondContact O-N 3.15Å |
| 225 | L | 94.6 | Very high | 93.9 | Very high | 83 Ų | 83 | 46.3 Ų | 46.3 | 44% | 0.435 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -89.9 | -43.9 | 175 | -169.8 | 78.5 | 0 | 0 | 0 | 112.4 | L175 Y179 L221 G222 D223 | L175-L225 HydrophobicContact CD1-CD2 4.32Å; Y179-L225 HydrophobicContact CD2-CD1 3.9Å; Y179-L225 HydrophobicContact CE2-CD1 3.38Å; Y179-L225 HydrophobicContact CE2-CG 3.94Å; Y179-L225 WeakPolarHBondContact OH-CA 3.45Å; Y179-L225 PolarHBondContact OH-O 2.69Å; L221-L225 PolarHBondContact O-N 3.39Å; G222-L225 WeakPolarHBondContact O-CB 3.35Å; G222-L225 PolarHBondContact O-N 2.89Å; G222-L225 VanDerWaalsContact O-N 3.09Å; D223-L225 PolarHBondContact O-N 3.49Å |
| 226 | L | 95.6 | Very high | 93.8 | Very high | 23 Ų | 23 | 49.1 Ų | 49.1 | 12% | 0.12 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -78.1 | -41.5 | -176.5 | -76.9 | 166.6 | 0 | 0 | 0 | 112.6 | V171 L175 I195 L198 G222 D223 S228 | V171-L226 HydrophobicContact CG1-CD2 4.15Å; L175-L226 HydrophobicContact CD1-CD2 3.78Å; L175-L226 HydrophobicContact CD2-CD2 4.45Å; I195-L226 HydrophobicContact CD1-CB 4.46Å; L198-L226 HydrophobicContact CD1-CD1 3.55Å; L198-L226 HydrophobicContact CD2-CD1 4.45Å; L198-L226 HydrophobicContact CG-CD1 3.83Å; G222-L226 WeakPolarHBondContact O-CB 3.39Å; G222-L226 PolarHBondContact O-N 3.23Å; D223-L226 PolarHBondContact O-N 3.08Å; L226-S228 PolarHBondContact O-N 3.05Å |
| 227 | L | 95.7 | Very high | 93.7 | Very high | 6 Ų | 6 | 53 Ų | 53 | 3% | 0.031 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -105.3 | 40.7 | -167.3 | -47 | -178.8 | 0 | 0 | 0 | 111.5 | I195 M197 D223 P229 F232 L244 L259 | I195-L227 HydrophobicContact CD1-CD2 3.86Å; I195-L227 HydrophobicContact CG1-CD2 4.32Å; M197-L227 HydrophobicContact CB-CD1 4.34Å; M197-L227 HydrophobicContact CG-CD1 3.83Å; D223-L227 HydrophobicContact CB-CD1 4.07Å; D223-L227 HydrophobicContact CB-CG 4.47Å; D223-L227 VanDerWaalsContact CG-CD1 3.5Å; D223-L227 WeakPolarHBondContact O-CA 3.49Å; D223-L227 VanDerWaalsContact O-CB 3.24Å; D223-L227 WeakPolarHBondContact O-CB 3.31Å; D223-L227 PolarHBondContact O-N 3.22Å; D223-L227 WeakPolarHBondContact OD1-CD1 3.22Å; L227-P229 WeakPolarHBondContact O-CD 3.27Å; L227-F232 HydrophobicContact CB-CZ 4.27Å; L227-F232 HydrophobicContact CD2-CE1 4.48Å; L227-F232 HydrophobicContact CD2-CZ 3.84Å; L227-L244 HydrophobicContact CD2-CD1 4.25Å; L227-L244 HydrophobicContact CD2-CD2 3.65Å; L227-L259 HydrophobicContact CB-CD1 3.98Å; L227-L259 HydrophobicContact CD1-CD1 4.21Å |
| 228 | S | 94.1 | Very high | 93.5 | Very high | 23 Ų | 23 | 51.2 Ų | 51.2 | 16% | 0.161 | 28% | 0.275 | C | S | . | . | trans | -71.2 | 123.8 | 178.6 | -176.3 | 0 | 0 | 0 | 0 | 110.6 | L226 A230 L231 F232 | L226-S228 PolarHBondContact O-N 3.05Å; S228-A230 PolarHBondContact O-N 3.12Å; S228-A230 VanDerWaalsContact O-N 3.17Å; S228-L231 WeakPolarHBondContact O-CA 3.41Å; S228-L231 WeakPolarHBondContact O-CB 3.47Å; S228-L231 PolarHBondContact O-N 2.87Å; S228-F232 WeakPolarHBondContact O-CD1 3.5Å; S228-F232 PolarHBondContact O-N 2.8Å | ||
| 229 | P | 93 | Very high | 93.3 | Very high | 79 Ų | 79 | 55.8 Ų | 55.8 | 51% | 0.513 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -57.5 | -33.2 | 177 | -26.2 | 34.6 | 0 | 0 | 0 | 113.1 | L227 F232 D233 L259 | L227-P229 WeakPolarHBondContact O-CD 3.27Å; P229-F232 PolarHBondContact O-N 3.23Å; P229-D233 VanDerWaalsContact O-CB 3.24Å; P229-D233 WeakPolarHBondContact O-CB 3.34Å; P229-D233 PolarHBondContact O-N 3.01Å; P229-L259 HydrophobicContact CG-CD2 3.89Å |
| 230 | A | 94.4 | Very high | 93.1 | Very high | 54 Ų | 54 | 55.4 Ų | 55.4 | 45% | 0.446 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -71.7 | -27.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | F178 S228 H234 | F178-A230 HydrophobicContact CZ-CB 3.93Å; S228-A230 PolarHBondContact O-N 3.12Å; S228-A230 VanDerWaalsContact O-N 3.17Å; A230-H234 WeakPolarHBondContact O-CB 3.43Å; A230-H234 PolarHBondContact O-N 3.18Å |
| 231 | L | 95.1 | Very high | 93 | Very high | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -69.7 | -47.5 | 169.6 | 173.7 | 61.3 | 0 | 0 | 0 | 109.7 | L174 L175 F178 L183 S228 H234 L235 | L174-L231 HydrophobicContact CD1-CD1 4.29Å; L174-L231 HydrophobicContact CG-CD1 4.43Å; L175-L231 HydrophobicContact CD2-CD2 3.79Å; F178-L231 HydrophobicContact CB-CD1 4.03Å; F178-L231 HydrophobicContact CD1-CB 4.1Å; F178-L231 HydrophobicContact CD1-CD1 4.27Å; F178-L231 HydrophobicContact CD2-CB 4.27Å; F178-L231 HydrophobicContact CD2-CD1 3.79Å; F178-L231 HydrophobicContact CE1-CB 3.84Å; F178-L231 HydrophobicContact CE2-CB 4.02Å; F178-L231 HydrophobicContact CE2-CD1 4.34Å; F178-L231 HydrophobicContact CG-CB 4.31Å; F178-L231 HydrophobicContact CG-CD1 3.76Å; F178-L231 HydrophobicContact CZ-CB 3.81Å; F178-L231 VanDerWaalsContact CZ-N 3.31Å; L183-L231 HydrophobicContact CD2-CD1 4.2Å; S228-L231 WeakPolarHBondContact O-CA 3.41Å; S228-L231 WeakPolarHBondContact O-CB 3.47Å; S228-L231 PolarHBondContact O-N 2.87Å; L231-H234 WeakPolarHBondContact O-CB 3.49Å; L231-H234 PolarHBondContact O-N 2.78Å; L231-H234 VanDerWaalsContact O-N 3.13Å; L231-L235 HydrophobicContact CD1-CD1 3.85Å; L231-L235 HydrophobicContact CD1-CD2 4.48Å; L231-L235 HydrophobicContact CD1-CG 4.05Å; L231-L235 HydrophobicContact CG-CD1 3.8Å; L231-L235 HydrophobicContact CG-CG 4.41Å; L231-L235 VanDerWaalsContact O-CG 3.27Å; L231-L235 WeakPolarHBondContact O-CG 3.41Å; L231-L235 PolarHBondContact O-N 2.92Å |
| 232 | F | 93.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.1 | -46.1 | -176.8 | -75 | 26.9 | 0 | 0 | 0 | 110.9 | I195 L227 S228 P229 H234 L235 N236 V242 L244 L259 A261 | I195-F232 HydrophobicContact CD1-CE1 4.16Å; I195-F232 HydrophobicContact CD1-CZ 4.25Å; L227-F232 HydrophobicContact CB-CZ 4.27Å; L227-F232 HydrophobicContact CD2-CE1 4.48Å; L227-F232 HydrophobicContact CD2-CZ 3.84Å; S228-F232 WeakPolarHBondContact O-CD1 3.5Å; S228-F232 PolarHBondContact O-N 2.8Å; P229-F232 PolarHBondContact O-N 3.23Å; F232-H234 VanDerWaalsContact C-N 3.3Å; F232-H234 PolarHBondContact O-N 2.93Å; F232-L235 PolarHBondContact O-N 3.34Å; F232-L235 VanDerWaalsContact O-N 3.12Å; F232-N236 WeakPolarHBondContact O-CB 3.47Å; F232-N236 PolarHBondContact O-N 3.04Å; F232-N236 PolarHBondContact O-ND2 3.39Å; F232-V242 HydrophobicContact CD1-CG1 4.3Å; F232-V242 HydrophobicContact CD2-CG1 4.17Å; F232-V242 HydrophobicContact CE1-CG1 3.94Å; F232-V242 HydrophobicContact CE2-CG1 3.81Å; F232-V242 HydrophobicContact CG-CG1 4.42Å; F232-V242 HydrophobicContact CZ-CG1 3.69Å; F232-L244 HydrophobicContact CE2-CD1 4.36Å; F232-L244 HydrophobicContact CZ-CD2 4.1Å; F232-L259 HydrophobicContact CD2-CB 4.11Å; F232-L259 VanDerWaalsContact CD2-O 3.24Å; F232-L259 WeakPolarHBondContact CD2-O 3.44Å; F232-L259 HydrophobicContact CE2-CB 3.99Å; F232-A261 HydrophobicContact CE2-CB 4.29Å |
| 233 | D | 91.5 | Very high | 92.8 | Very high | 75 Ų | 75 | 44.2 Ų | 44.2 | 40% | 0.401 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -55.1 | -41 | 171.1 | 168.8 | 53.5 | 0 | 0 | 0 | 112.8 | P229 R237 | P229-D233 VanDerWaalsContact O-CB 3.24Å; P229-D233 WeakPolarHBondContact O-CB 3.34Å; P229-D233 PolarHBondContact O-N 3.01Å; D233-R237 WeakPolarHBondContact O-CB 3.46Å; D233-R237 WeakPolarHBondContact O-CG 3.43Å; D233-R237 PolarHBondContact O-N 3.34Å; D233-R237 IonicContact OD1-CZ 2.71Å; D233-R237 IonicContact OD1-NH1 3.26Å; D233-R237 PolarHBondContact OD1-NH1 3.11Å; D233-R237 IonicContact OD1-NH2 2.75Å; D233-R237 IonicContact OD2-CZ 3.98Å; D233-R237 IonicContact OD2-NH1 2.66Å; D233-R237 PolarHBondContact OD2-NH1 2.93Å; D233-R237 IonicContact OD2-NH2 3.6Å; D233-R237 PolarHBondContact OD2-NH2 3.04Å |
| 234 | H | 92.9 | Very high | 92.7 | Very high | 30 Ų | 30 | 44.1 Ų | 44.1 | 14% | 0.139 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -68.9 | -34.3 | 175.6 | -174 | 84.9 | 0 | 0 | 0 | 113.7 | L183 A230 L231 F232 R238 | L183-H234 VanDerWaalsContact CD2-CD2 3.44Å; L183-H234 WeakPolarHBondContact CD2-CD2 3.45Å; A230-H234 WeakPolarHBondContact O-CB 3.43Å; A230-H234 PolarHBondContact O-N 3.18Å; L231-H234 WeakPolarHBondContact O-CB 3.49Å; L231-H234 PolarHBondContact O-N 2.78Å; L231-H234 VanDerWaalsContact O-N 3.13Å; F232-H234 VanDerWaalsContact C-N 3.3Å; F232-H234 PolarHBondContact O-N 2.93Å; H234-R238 PolarHBondContact NE2-NE 3.03Å; H234-R238 PolarHBondContact NE2-NH1 3.12Å; H234-R238 WeakPolarHBondContact O-CG 3.46Å |
| 235 | L | 93.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -74.6 | -42.9 | 175.9 | -64.5 | 167.6 | 0 | 0 | 0 | 111.5 | L174 M188 L193 L231 F232 R237 R238 K239 M240 V242 | L174-L235 HydrophobicContact CD1-CD2 4.1Å; L174-L235 HydrophobicContact CD2-CD1 4.41Å; L174-L235 HydrophobicContact CD2-CD2 4.22Å; M188-L235 HydrophobicContact CE-CD2 4.37Å; L193-L235 HydrophobicContact CD2-CD1 3.42Å; L193-L235 VanDerWaalsContact CD2-CD1 3.42Å; L231-L235 HydrophobicContact CD1-CD1 3.85Å; L231-L235 HydrophobicContact CD1-CD2 4.48Å; L231-L235 HydrophobicContact CD1-CG 4.05Å; L231-L235 HydrophobicContact CG-CD1 3.8Å; L231-L235 HydrophobicContact CG-CG 4.41Å; L231-L235 VanDerWaalsContact O-CG 3.27Å; L231-L235 WeakPolarHBondContact O-CG 3.41Å; L231-L235 PolarHBondContact O-N 2.92Å; F232-L235 PolarHBondContact O-N 3.34Å; F232-L235 VanDerWaalsContact O-N 3.12Å; L235-R237 VanDerWaalsContact C-N 3.35Å; L235-R237 PolarHBondContact O-N 3.49Å; L235-R238 CarbonylContact O-C 3.3Å; L235-R238 WeakPolarHBondContact O-CA 3.27Å; L235-R238 WeakPolarHBondContact O-CB 3.5Å; L235-R238 PolarHBondContact O-N 3.24Å; L235-K239 PolarHBondContact O-N 3.34Å; L235-M240 HydrophobicContact CB-CB 4.24Å; L235-M240 HydrophobicContact CD2-CE 3.6Å; L235-M240 HydrophobicContact CD2-SD 3.59Å; L235-M240 VanDerWaalsContact CD2-SD 3.59Å; L235-M240 PolarHBondContact O-N 3.43Å; L235-M240 VanDerWaalsContact O-N 3.15Å; L235-V242 HydrophobicContact CB-CG2 4.09Å; L235-V242 HydrophobicContact CD1-CG2 3.84Å |
| 236 | N | 88.7 | Confident | 92.2 | Very high | 58 Ų | 58 | 42.3 Ų | 42.3 | 31% | 0.31 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -61 | -42.2 | 176.3 | -70.6 | -16 | 0 | 0 | 0 | 111.1 | F232 R238 K239 G260 | F232-N236 WeakPolarHBondContact O-CB 3.47Å; F232-N236 PolarHBondContact O-N 3.04Å; F232-N236 PolarHBondContact O-ND2 3.39Å; N236-R238 PolarHBondContact O-N 3.39Å; N236-R238 VanDerWaalsContact O-N 3.15Å; N236-K239 PolarHBondContact O-N 2.87Å; N236-G260 PolarHBondContact ND2-O 3.27Å |
| 237 | R | 89.8 | Confident | 92 | Very high | 154 Ų | 154 | 41.2 Ų | 41.2 | 58% | 0.581 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -25.6 | 170 | -85.8 | -164.8 | -69.3 | -88.2 | -7.4 | 114.1 | D233 L235 | D233-R237 WeakPolarHBondContact O-CB 3.46Å; D233-R237 WeakPolarHBondContact O-CG 3.43Å; D233-R237 PolarHBondContact O-N 3.34Å; D233-R237 IonicContact OD1-CZ 2.71Å; D233-R237 IonicContact OD1-NH1 3.26Å; D233-R237 PolarHBondContact OD1-NH1 3.11Å; D233-R237 IonicContact OD1-NH2 2.75Å; D233-R237 IonicContact OD2-CZ 3.98Å; D233-R237 IonicContact OD2-NH1 2.66Å; D233-R237 PolarHBondContact OD2-NH1 2.93Å; D233-R237 IonicContact OD2-NH2 3.6Å; D233-R237 PolarHBondContact OD2-NH2 3.04Å; L235-R237 VanDerWaalsContact C-N 3.35Å; L235-R237 PolarHBondContact O-N 3.49Å |
| 238 | R | 90 | Very high | 91.7 | Very high | 63 Ų | 63 | 41.4 Ų | 41.4 | 24% | 0.238 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | 4.6 | 178.6 | -73.2 | 176.2 | 150.4 | -170.9 | -10.5 | 113.8 | L183 P184 R191 H234 L235 N236 M240 | L183-R238 VanDerWaalsContact O-CZ 3.27Å; L183-R238 PolarHBondContact O-NH1 2.8Å; L183-R238 PolarHBondContact O-NH2 2.93Å; P184-R238 VanDerWaalsContact C-NH2 3.28Å; P184-R238 VanDerWaalsContact CA-NH2 3.29Å; P184-R238 PolarHBondContact O-NH2 2.85Å; R191-R238 PolarHBondContact NH1-O 2.9Å; H234-R238 PolarHBondContact NE2-NE 3.03Å; H234-R238 PolarHBondContact NE2-NH1 3.12Å; H234-R238 WeakPolarHBondContact O-CG 3.46Å; L235-R238 CarbonylContact O-C 3.3Å; L235-R238 WeakPolarHBondContact O-CA 3.27Å; L235-R238 WeakPolarHBondContact O-CB 3.5Å; L235-R238 PolarHBondContact O-N 3.24Å; N236-R238 PolarHBondContact O-N 3.39Å; N236-R238 VanDerWaalsContact O-N 3.15Å; R238-M240 VanDerWaalsContact C-N 3.29Å; R238-M240 HydrophobicContact CB-CG 4.09Å; R238-M240 HydrophobicContact CB-SD 4Å |
| 239 | K | 88.7 | Confident | 91.6 | Very high | 163 Ų | 163 | 44.5 Ų | 44.5 | 71% | 0.709 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.7 | 53 | -173.2 | -54.8 | -61.7 | -173.4 | 172.4 | 0 | 110 | R191 L235 N236 | R191-K239 PolarHBondContact NH1-O 3.44Å; L235-K239 PolarHBondContact O-N 3.34Å; N236-K239 PolarHBondContact O-N 2.87Å |
| 240 | M | 90.6 | Very high | 91.7 | Very high | 8 Ų | 8 | 44.4 Ų | 44.4 | 4% | 0.039 | 21% | 0.209 | C | C | . | . | trans | -112.5 | 139.1 | 168.5 | -63 | 171.2 | 66.3 | 0 | 0 | 107.3 | F166 M188 R191 L235 R238 | F166-M240 HydrophobicContact CE2-CE 3.38Å; F166-M240 HydrophobicContact CZ-CE 3.45Å; F166-M240 VanDerWaalsContact CZ-CE 3.45Å; M188-M240 HydrophobicContact CE-CE 3.71Å; M188-M240 HydrophobicContact CE-SD 3.5Å; M188-M240 WeakPolarHBondContact CE-SD 3.28Å; M188-M240 HydrophobicContact SD-CE 4.24Å; R191-M240 CarbonylContact O-C 3.51Å; R191-M240 VanDerWaalsContact O-CA 3.29Å; R191-M240 WeakPolarHBondContact O-CA 3.34Å; L235-M240 HydrophobicContact CB-CB 4.24Å; L235-M240 HydrophobicContact CD2-CE 3.6Å; L235-M240 HydrophobicContact CD2-SD 3.59Å; L235-M240 VanDerWaalsContact CD2-SD 3.59Å; L235-M240 PolarHBondContact O-N 3.43Å; L235-M240 VanDerWaalsContact O-N 3.15Å; R238-M240 VanDerWaalsContact C-N 3.29Å; R238-M240 HydrophobicContact CB-CG 4.09Å; R238-M240 HydrophobicContact CB-SD 4Å | ||
| 241 | H | 91.2 | Very high | 91.6 | Very high | 36 Ų | 36 | 47.1 Ų | 47.1 | 17% | 0.167 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 138.4 | 179.6 | -53.7 | -85.5 | 0 | 0 | 0 | 108.5 | R191 F192 L193 F243 T262 | R191-H241 PolarHBondContact O-N 3.06Å; F192-H241 HydrophobicContact CD1-CB 3.65Å; F192-H241 HydrophobicContact CE1-CB 3.61Å; F192-H241 AromaticContact CE1-CD2 3.39Å; F192-H241 WeakPolarHBondContact CE1-CD2 3.48Å; F192-H241 AromaticContact CE1-CG 3.58Å; F192-H241 HydrophobicContact CZ-CB 4.47Å; F192-H241 AromaticContact CZ-CD2 3.37Å; F192-H241 WeakPolarHBondContact CZ-CD2 3.38Å; L193-H241 PolarHBondContact N-O 3.06Å; H241-F243 HydrophobicContact CB-CD1 4.47Å; H241-F243 HydrophobicContact CB-CE1 3.8Å; H241-F243 HydrophobicContact CB-CZ 4.03Å; H241-T262 WeakPolarHBondContact CA-OG1 3.21Å; H241-T262 HydrophobicContact CB-CG2 3.98Å |
| 242 | V | 92.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 116 | 178.7 | -176.2 | 0 | 0 | 0 | 0 | 108.6 | L193 F232 L235 L244 T262 A263 | L193-V242 HydrophobicContact CB-CG2 4.39Å; L193-V242 HydrophobicContact CD2-CG1 4.37Å; L193-V242 HydrophobicContact CD2-CG2 4.47Å; L193-V242 CarbonylContact O-C 3.13Å; L193-V242 WeakPolarHBondContact O-CA 3.46Å; F232-V242 HydrophobicContact CD1-CG1 4.3Å; F232-V242 HydrophobicContact CD2-CG1 4.17Å; F232-V242 HydrophobicContact CE1-CG1 3.94Å; F232-V242 HydrophobicContact CE2-CG1 3.81Å; F232-V242 HydrophobicContact CG-CG1 4.42Å; F232-V242 HydrophobicContact CZ-CG1 3.69Å; L235-V242 HydrophobicContact CB-CG2 4.09Å; L235-V242 HydrophobicContact CD1-CG2 3.84Å; V242-L244 HydrophobicContact CG1-CD2 4.49Å; V242-T262 PolarHBondContact N-OG1 3.3Å; V242-T262 WeakPolarHBondContact O-CB 3.27Å; V242-T262 PolarHBondContact O-N 3.39Å; V242-A263 PolarHBondContact O-N 2.77Å |
| 243 | F | 93.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 135.3 | -179.2 | -58.5 | -21.1 | 0 | 0 | 0 | 109.9 | L4 D6 M32 F192 L193 E194 I195 H241 T262 A263 M265 | L4-F243 HydrophobicContact CD2-CE1 4Å; L4-F243 HydrophobicContact CD2-CZ 3.76Å; D6-F243 WeakPolarHBondContact OD2-CD2 3.49Å; M32-F243 HydrophobicContact CE-CD2 4.06Å; M32-F243 HydrophobicContact CE-CE2 3.32Å; M32-F243 HydrophobicContact CE-CZ 3.99Å; M32-F243 HydrophobicContact SD-CE2 4.36Å; F192-F243 HydrophobicContact CD1-CD2 4.2Å; F192-F243 HydrophobicContact CD1-CE1 4.44Å; F192-F243 AromaticContact CD1-CE2 3.36Å; F192-F243 HydrophobicContact CD1-CE2 3.36Å; F192-F243 AromaticContact CD1-CZ 3.53Å; F192-F243 HydrophobicContact CD1-CZ 3.53Å; F192-F243 AromaticContact CE1-CE2 3.83Å; F192-F243 HydrophobicContact CE1-CE2 3.83Å; F192-F243 AromaticContact CE1-CZ 3.6Å; F192-F243 HydrophobicContact CE1-CZ 3.6Å; F192-F243 HydrophobicContact CG-CE2 4.45Å; L193-F243 PolarHBondContact O-N 2.58Å; E194-F243 WeakPolarHBondContact CA-O 3.35Å; E194-F243 HydrophobicContact CG-CB 3.87Å; E194-F243 HydrophobicContact CG-CD2 3.81Å; E194-F243 HydrophobicContact CG-CG 4.28Å; I195-F243 PolarHBondContact N-O 3.26Å; H241-F243 HydrophobicContact CB-CD1 4.47Å; H241-F243 HydrophobicContact CB-CE1 3.8Å; H241-F243 HydrophobicContact CB-CZ 4.03Å; F243-T262 HydrophobicContact CE1-CG2 4.07Å; F243-A263 WeakPolarHBondContact CA-O 3.21Å; F243-A263 HydrophobicContact CD1-CB 3.31Å; F243-A263 HydrophobicContact CE1-CB 3.42Å; F243-A263 VanDerWaalsContact CE1-CB 3.42Å; F243-A263 HydrophobicContact CG-CB 4.14Å; F243-A263 HydrophobicContact CZ-CB 4.31Å; F243-M265 HydrophobicContact CD2-CE 4.28Å |
| 244 | L | 93.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 133.9 | 179 | -61.5 | -171 | 0 | 0 | 0 | 111.6 | I195 M197 L227 F232 V242 L247 A256 A261 A263 V264 M265 | I195-L244 HydrophobicContact CD1-CD2 4.12Å; I195-L244 HydrophobicContact CG1-CD2 3.53Å; I195-L244 WeakPolarHBondContact O-CA 3.44Å; I195-L244 WeakPolarHBondContact O-CD2 3.46Å; M197-L244 HydrophobicContact CE-CD1 4.04Å; L227-L244 HydrophobicContact CD2-CD1 4.25Å; L227-L244 HydrophobicContact CD2-CD2 3.65Å; F232-L244 HydrophobicContact CE2-CD1 4.36Å; F232-L244 HydrophobicContact CZ-CD2 4.1Å; V242-L244 HydrophobicContact CG1-CD2 4.49Å; L244-L247 HydrophobicContact CB-CD1 3.98Å; L244-L247 HydrophobicContact CB-CG 4.49Å; L244-A256 HydrophobicContact CD1-CB 3.78Å; L244-A261 HydrophobicContact CD1-CB 4.06Å; L244-A261 HydrophobicContact CG-CB 3.98Å; L244-A263 PolarHBondContact N-O 3.04Å; L244-V264 WeakPolarHBondContact O-CA 3.46Å; L244-M265 PolarHBondContact O-N 2.97Å |
| 245 | W | 90.2 | Very high | 91.7 | Very high | 96 Ų | 96 | 51.9 Ų | 51.9 | 36% | 0.364 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 166.1 | -175.1 | 60.2 | -104.9 | 0 | 0 | 0 | 113.9 | I195 P196 M197 M265 | I195-W245 PolarHBondContact O-N 3.36Å; P196-W245 WeakPolarHBondContact CA-O 3.39Å; P196-W245 HydrophobicContact CB-CD2 4.06Å; P196-W245 HydrophobicContact CB-CE3 3.93Å; P196-W245 HydrophobicContact CB-CH2 3.99Å; P196-W245 HydrophobicContact CB-CZ2 4.11Å; P196-W245 HydrophobicContact CB-CZ3 3.89Å; P196-W245 HydrophobicContact CG-CH2 4.18Å; P196-W245 HydrophobicContact CG-CZ2 4.12Å; M197-W245 PolarHBondContact N-O 3.26Å; W245-M265 HydrophobicContact CB-CB 3.85Å; W245-M265 HydrophobicContact CB-CG 4.29Å; W245-M265 HydrophobicContact CB-SD 3.64Å; W245-M265 HydrophobicContact CG-SD 4.05Å |
| 246 | V | 88 | Confident | 91.7 | Very high | 19 Ų | 19 | 51.9 Ų | 51.9 | 12% | 0.115 | 23% | 0.231 | C | C | . | . | cis | -85.5 | 123.9 | -36.8 | -177.1 | 0 | 0 | 0 | 0 | 104.9 | T8 D267 | T8-V246 HydrophobicContact CG2-CG2 4.32Å; V246-D267 WeakPolarHBondContact CG1-OD2 3.06Å | ||
| 247 | L | 91.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 23% | 0.227 | C | C | . | . | trans | -108.5 | 134 | -178.4 | -45 | -173.7 | 0 | 0 | 0 | 108.6 | M197 A200 L244 Q252 F253 A256 V264 M265 T266 | M197-L247 HydrophobicContact CB-CD2 3.49Å; M197-L247 VanDerWaalsContact CB-CD2 3.49Å; M197-L247 HydrophobicContact CE-CD1 3.79Å; M197-L247 HydrophobicContact CE-CD2 4.08Å; M197-L247 HydrophobicContact CG-CD2 4.4Å; M197-L247 HydrophobicContact SD-CD2 4.23Å; A200-L247 HydrophobicContact CB-CD2 3.94Å; L244-L247 HydrophobicContact CB-CD1 3.98Å; L244-L247 HydrophobicContact CB-CG 4.49Å; L247-Q252 VanDerWaalsContact CA-OE1 3.29Å; L247-Q252 HydrophobicContact CB-CB 3.93Å; L247-Q252 HydrophobicContact CD1-CB 4.25Å; L247-Q252 HydrophobicContact CD2-CB 4.33Å; L247-Q252 HydrophobicContact CG-CB 4.4Å; L247-F253 HydrophobicContact CB-CD1 4Å; L247-F253 HydrophobicContact CB-CE1 3.96Å; L247-F253 VanDerWaalsContact O-CE1 3.28Å; L247-F253 WeakPolarHBondContact O-CE1 3.38Å; L247-A256 HydrophobicContact CD1-CB 3.68Å; L247-V264 HydrophobicContact CB-CG1 3.66Å; L247-V264 HydrophobicContact CD1-CB 4.42Å; L247-V264 HydrophobicContact CD1-CG1 3.75Å; L247-V264 HydrophobicContact CD1-CG2 3.85Å; L247-V264 HydrophobicContact CG-CG1 3.82Å; L247-M265 PolarHBondContact N-O 2.92Å; L247-T266 VanDerWaalsContact O-CA 3.31Å; L247-T266 WeakPolarHBondContact O-CA 3.35Å; L247-T266 WeakPolarHBondContact O-CB 3.24Å; L247-T266 PolarHBondContact O-OG1 3.48Å | ||
| 248 | N | 90.5 | Very high | 91.9 | Very high | 10 Ų | 10 | 50.4 Ų | 50.4 | 5% | 0.053 | 23% | 0.228 | C | C | . | . | trans | -129.7 | -3.8 | -174 | -72.5 | -26.4 | 0 | 0 | 0 | 113 | T266 D267 Y268 K271 | N248-T266 PolarHBondContact OD1-OG1 2.99Å; N248-T266 VanDerWaalsContact OD1-OG1 3.09Å; N248-D267 PolarHBondContact ND2-OD2 3.13Å; N248-D267 WeakPolarHBondContact OD1-CB 3.48Å; N248-D267 PolarHBondContact OD1-N 2.72Å; N248-Y268 HydrophobicContact CB-CD2 3.73Å; N248-Y268 HydrophobicContact CB-CE2 3.93Å; N248-K271 WeakPolarHBondContact O-CD 3.43Å; N248-K271 WeakPolarHBondContact O-CE 3.28Å; N248-K271 PolarHBondContact O-NZ 3.06Å | ||
| 249 | E | 91.9 | Very high | 92 | Very high | 89 Ų | 89 | 48.9 Ų | 48.9 | 42% | 0.416 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -123 | 148.7 | -177.5 | -64.2 | -56 | 142.2 | 0 | 0 | 114 | D251 Q252 F253 K271 | E249-D251 VanDerWaalsContact C-N 3.27Å; E249-D251 WeakPolarHBondContact CB-OD1 3.39Å; E249-D251 PolarHBondContact O-N 3.26Å; E249-Q252 HydrophobicContact CB-CG 4.04Å; E249-Q252 WeakPolarHBondContact O-CA 3.5Å; E249-Q252 VanDerWaalsContact O-CB 3.27Å; E249-Q252 WeakPolarHBondContact O-CB 3.03Å; E249-Q252 PolarHBondContact O-N 3.38Å; E249-F253 WeakPolarHBondContact O-CG 3.48Å; E249-F253 PolarHBondContact O-N 3.17Å; E249-K271 IonicContact OE1-NZ 3.82Å; E249-K271 PolarHBondContact OE1-NZ 2.81Å; E249-K271 VanDerWaalsContact OE1-NZ 3.11Å; E249-K271 IonicContact OE2-NZ 3.58Å; E249-K271 PolarHBondContact OE2-NZ 3.5Å |
| 250 | D | 93.7 | Very high | 92 | Very high | 76 Ų | 76 | 42.3 Ų | 42.3 | 41% | 0.406 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -59.1 | -33.8 | -175.6 | -72.4 | 28.5 | 0 | 0 | 0 | 113.4 | Q252 K254 K271 Y275 | D250-Q252 VanDerWaalsContact C-N 3.33Å; D250-K254 WeakPolarHBondContact O-CB 3.42Å; D250-K254 PolarHBondContact O-N 3.2Å; D250-K271 WeakPolarHBondContact OD1-CE 3.16Å; D250-Y275 HydrophobicContact CB-CD2 4.11Å; D250-Y275 HydrophobicContact CB-CE2 4.41Å |
| 251 | D | 94.3 | Very high | 92 | Very high | 112 Ų | 112 | 42.4 Ų | 42.4 | 60% | 0.599 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -71 | -31.7 | 176.1 | 74.9 | -59.5 | 0 | 0 | 0 | 111.9 | E249 R255 | E249-D251 VanDerWaalsContact C-N 3.27Å; E249-D251 WeakPolarHBondContact CB-OD1 3.39Å; E249-D251 PolarHBondContact O-N 3.26Å; D251-R255 VanDerWaalsContact O-CB 3.22Å; D251-R255 WeakPolarHBondContact O-CB 3.38Å; D251-R255 PolarHBondContact O-N 2.9Å |
| 252 | Q | 93.7 | Very high | 91.9 | Very high | 31 Ų | 31 | 41.5 Ų | 41.5 | 15% | 0.145 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -71.5 | -45.2 | 174.1 | -54.5 | 170.1 | -1.3 | 0 | 0 | 110.4 | M197 L247 E249 D250 R255 A256 | M197-Q252 HydrophobicContact SD-CB 4.44Å; L247-Q252 VanDerWaalsContact CA-OE1 3.29Å; L247-Q252 HydrophobicContact CB-CB 3.93Å; L247-Q252 HydrophobicContact CD1-CB 4.25Å; L247-Q252 HydrophobicContact CD2-CB 4.33Å; L247-Q252 HydrophobicContact CG-CB 4.4Å; E249-Q252 HydrophobicContact CB-CG 4.04Å; E249-Q252 WeakPolarHBondContact O-CA 3.5Å; E249-Q252 VanDerWaalsContact O-CB 3.27Å; E249-Q252 WeakPolarHBondContact O-CB 3.03Å; E249-Q252 PolarHBondContact O-N 3.38Å; D250-Q252 VanDerWaalsContact C-N 3.33Å; Q252-R255 PolarHBondContact O-N 2.77Å; Q252-A256 WeakPolarHBondContact O-CB 3.08Å; Q252-A256 PolarHBondContact O-N 3.26Å |
| 253 | F | 93 | Very high | 91.8 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -57 | -52.5 | 172.8 | -59.6 | -26.7 | 0 | 0 | 0 | 111 | L247 E249 R255 A256 F257 V264 K271 L272 Y275 | L247-F253 HydrophobicContact CB-CD1 4Å; L247-F253 HydrophobicContact CB-CE1 3.96Å; L247-F253 VanDerWaalsContact O-CE1 3.28Å; L247-F253 WeakPolarHBondContact O-CE1 3.38Å; E249-F253 WeakPolarHBondContact O-CG 3.48Å; E249-F253 PolarHBondContact O-N 3.17Å; F253-R255 VanDerWaalsContact C-N 3.32Å; F253-R255 PolarHBondContact O-N 2.94Å; F253-A256 WeakPolarHBondContact O-CB 3.31Å; F253-A256 PolarHBondContact O-N 2.89Å; F253-A256 VanDerWaalsContact O-N 3.15Å; F253-F257 HydrophobicContact CB-CE2 4.37Å; F253-F257 WeakPolarHBondContact O-CD2 3.22Å; F253-F257 PolarHBondContact O-N 3.11Å; F253-F257 VanDerWaalsContact O-N 3.1Å; F253-V264 HydrophobicContact CD1-CG1 3.84Å; F253-V264 HydrophobicContact CE1-CG1 3.87Å; F253-K271 HydrophobicContact CE2-CD 4.37Å; F253-K271 HydrophobicContact CE2-CG 4.16Å; F253-L272 HydrophobicContact CB-CD1 4.44Å; F253-L272 HydrophobicContact CD1-CD1 3.95Å; F253-L272 HydrophobicContact CD2-CD1 4.09Å; F253-L272 HydrophobicContact CE1-CB 4.36Å; F253-L272 HydrophobicContact CE1-CD1 4.12Å; F253-L272 HydrophobicContact CE2-CB 4.08Å; F253-L272 HydrophobicContact CE2-CD1 4.3Å; F253-L272 HydrophobicContact CG-CD1 3.92Å; F253-L272 HydrophobicContact CZ-CB 3.91Å; F253-L272 HydrophobicContact CZ-CD1 4.31Å; F253-Y275 HydrophobicContact CB-CD1 3.91Å; F253-Y275 HydrophobicContact CB-CD2 4.32Å; F253-Y275 HydrophobicContact CB-CE1 3.95Å; F253-Y275 HydrophobicContact CB-CE2 4.33Å; F253-Y275 HydrophobicContact CB-CG 4.14Å; F253-Y275 HydrophobicContact CD2-CD1 4.35Å; F253-Y275 HydrophobicContact CD2-CD2 4.26Å; F253-Y275 AromaticContact CD2-CG 3.92Å; F253-Y275 HydrophobicContact CD2-CG 3.92Å; F253-Y275 HydrophobicContact CG-CG 4.5Å |
| 254 | K | 94 | Very high | 91.7 | Very high | 94 Ų | 94 | 41.5 Ų | 41.5 | 41% | 0.409 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -53.3 | -49.5 | 176.2 | -179 | 177.8 | 178.2 | -68.7 | 0 | 111.5 | D250 A256 F257 E258 Y275 | D250-K254 WeakPolarHBondContact O-CB 3.42Å; D250-K254 PolarHBondContact O-N 3.2Å; K254-A256 PolarHBondContact O-N 2.7Å; K254-F257 PolarHBondContact O-N 3.38Å; K254-E258 WeakPolarHBondContact CE-OE1 3.5Å; K254-E258 HydrophobicContact CG-CG 4.41Å; K254-E258 IonicContact NZ-OE1 2.68Å; K254-E258 PolarHBondContact NZ-OE1 2.92Å; K254-E258 IonicContact NZ-OE2 2.69Å; K254-E258 PolarHBondContact NZ-OE2 2.66Å; K254-E258 WeakPolarHBondContact O-CB 3.3Å; K254-E258 WeakPolarHBondContact O-CG 3.37Å; K254-E258 PolarHBondContact O-N 3.31Å; K254-Y275 WeakPolarHBondContact CA-OH 3.33Å; K254-Y275 HydrophobicContact CB-CE2 4.34Å; K254-Y275 WeakPolarHBondContact CB-OH 3.32Å |
| 255 | R | 94.4 | Very high | 91.6 | Very high | 80 Ų | 80 | 41.9 Ų | 41.9 | 30% | 0.302 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -62.7 | -41.6 | 179.4 | -178.2 | 172.9 | 175.5 | -142.1 | -6.5 | 112.2 | M197 T199 D223 D251 Q252 F253 E258 L259 | M197-R255 HydrophobicContact CE-CB 4.21Å; M197-R255 HydrophobicContact CE-CG 4.1Å; M197-R255 PolarHBondContact SD-NH1 2.73Å; T199-R255 PolarHBondContact OG1-NH1 2.87Å; D223-R255 IonicContact OD2-CZ 3.18Å; D223-R255 IonicContact OD2-NH1 2.78Å; D223-R255 PolarHBondContact OD2-NH1 2.92Å; D223-R255 IonicContact OD2-NH2 3.9Å; D223-R255 PolarHBondContact OD2-NH2 3.21Å; D251-R255 VanDerWaalsContact O-CB 3.22Å; D251-R255 WeakPolarHBondContact O-CB 3.38Å; D251-R255 PolarHBondContact O-N 2.9Å; Q252-R255 PolarHBondContact O-N 2.77Å; F253-R255 VanDerWaalsContact C-N 3.32Å; F253-R255 PolarHBondContact O-N 2.94Å; R255-E258 PolarHBondContact O-N 3.29Å; R255-L259 HydrophobicContact CG-CD1 3.88Å; R255-L259 HydrophobicContact CG-CG 4.42Å; R255-L259 WeakPolarHBondContact O-CB 3.47Å; R255-L259 WeakPolarHBondContact O-CD1 3.42Å; R255-L259 WeakPolarHBondContact O-CG 3.49Å; R255-L259 PolarHBondContact O-N 3.03Å |
| 256 | A | 93.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58.8 | -51.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112 | M197 L244 L247 Q252 F253 K254 L259 G260 A261 V264 | M197-A256 HydrophobicContact CE-CB 4.3Å; L244-A256 HydrophobicContact CD1-CB 3.78Å; L247-A256 HydrophobicContact CD1-CB 3.68Å; Q252-A256 WeakPolarHBondContact O-CB 3.08Å; Q252-A256 PolarHBondContact O-N 3.26Å; F253-A256 WeakPolarHBondContact O-CB 3.31Å; F253-A256 PolarHBondContact O-N 2.89Å; F253-A256 VanDerWaalsContact O-N 3.15Å; K254-A256 PolarHBondContact O-N 2.7Å; A256-L259 PolarHBondContact O-N 3.45Å; A256-G260 PolarHBondContact O-N 3.15Å; A256-A261 HydrophobicContact CB-CB 4.21Å; A256-A261 WeakPolarHBondContact O-CB 3.4Å; A256-A261 PolarHBondContact O-N 3.29Å; A256-V264 HydrophobicContact CB-CG2 3.49Å; A256-V264 VanDerWaalsContact CB-CG2 3.49Å |
| 257 | F | 91.5 | Very high | 91.7 | Very high | 49 Ų | 49 | 36.8 Ų | 36.8 | 22% | 0.215 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -71.8 | -31.9 | -179.7 | -60.9 | -60.6 | 0 | 0 | 0 | 112.8 | F253 K254 L259 G260 V264 L272 Y275 L276 | F253-F257 HydrophobicContact CB-CE2 4.37Å; F253-F257 WeakPolarHBondContact O-CD2 3.22Å; F253-F257 PolarHBondContact O-N 3.11Å; F253-F257 VanDerWaalsContact O-N 3.1Å; K254-F257 PolarHBondContact O-N 3.38Å; F257-L259 VanDerWaalsContact C-N 3.31Å; F257-L259 PolarHBondContact O-N 2.87Å; F257-G260 PolarHBondContact O-N 2.86Å; F257-G260 VanDerWaalsContact O-N 3.12Å; F257-V264 HydrophobicContact CE1-CG2 4.25Å; F257-V264 HydrophobicContact CE2-CG2 4.05Å; F257-V264 HydrophobicContact CZ-CB 4.32Å; F257-V264 HydrophobicContact CZ-CG2 3.76Å; F257-L272 HydrophobicContact CE2-CD1 3.98Å; F257-L272 HydrophobicContact CZ-CD1 4.19Å; F257-Y275 AromaticContact CD2-CE1 4Å; F257-Y275 HydrophobicContact CD2-CE1 4Å; F257-Y275 HydrophobicContact CE2-CD1 4.46Å; F257-Y275 HydrophobicContact CE2-CE1 4.23Å; F257-L276 HydrophobicContact CD2-CD2 4.22Å; F257-L276 HydrophobicContact CE2-CD2 3.71Å; F257-L276 HydrophobicContact CE2-CG 4.36Å; F257-L276 HydrophobicContact CZ-CD1 4.25Å; F257-L276 HydrophobicContact CZ-CD2 3.9Å |
| 258 | E | 91.5 | Very high | 91.7 | Very high | 133 Ų | 133 | 39.7 Ų | 39.7 | 62% | 0.621 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -65.7 | -31 | 172.2 | -79.4 | -178.4 | 145.8 | 0 | 0 | 113.4 | K254 R255 G260 | K254-E258 WeakPolarHBondContact CE-OE1 3.5Å; K254-E258 HydrophobicContact CG-CG 4.41Å; K254-E258 IonicContact NZ-OE1 2.68Å; K254-E258 PolarHBondContact NZ-OE1 2.92Å; K254-E258 IonicContact NZ-OE2 2.69Å; K254-E258 PolarHBondContact NZ-OE2 2.66Å; K254-E258 WeakPolarHBondContact O-CB 3.3Å; K254-E258 WeakPolarHBondContact O-CG 3.37Å; K254-E258 PolarHBondContact O-N 3.31Å; R255-E258 PolarHBondContact O-N 3.29Å; E258-G260 VanDerWaalsContact C-N 3.25Å |
| 259 | L | 91.2 | Very high | 91.5 | Very high | 30 Ų | 30 | 39.3 Ų | 39.3 | 16% | 0.157 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -14.1 | 173.1 | -69 | 165.8 | 0 | 0 | 0 | 113 | L227 P229 F232 R255 A256 F257 | L227-L259 HydrophobicContact CB-CD1 3.98Å; L227-L259 HydrophobicContact CD1-CD1 4.21Å; P229-L259 HydrophobicContact CG-CD2 3.89Å; F232-L259 HydrophobicContact CD2-CB 4.11Å; F232-L259 VanDerWaalsContact CD2-O 3.24Å; F232-L259 WeakPolarHBondContact CD2-O 3.44Å; F232-L259 HydrophobicContact CE2-CB 3.99Å; R255-L259 HydrophobicContact CG-CD1 3.88Å; R255-L259 HydrophobicContact CG-CG 4.42Å; R255-L259 WeakPolarHBondContact O-CB 3.47Å; R255-L259 WeakPolarHBondContact O-CD1 3.42Å; R255-L259 WeakPolarHBondContact O-CG 3.49Å; R255-L259 PolarHBondContact O-N 3.03Å; A256-L259 PolarHBondContact O-N 3.45Å; F257-L259 VanDerWaalsContact C-N 3.31Å; F257-L259 PolarHBondContact O-N 2.87Å |
| 260 | G | 89.5 | Confident | 91.2 | Very high | 26 Ų | 26 | 37.9 Ų | 37.9 | 27% | 0.268 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 88.7 | 25.6 | -177 | 0 | 0 | 0 | 0 | 0 | 114.4 | N236 A256 F257 E258 | N236-G260 PolarHBondContact ND2-O 3.27Å; A256-G260 PolarHBondContact O-N 3.15Å; F257-G260 PolarHBondContact O-N 2.86Å; F257-G260 VanDerWaalsContact O-N 3.12Å; E258-G260 VanDerWaalsContact C-N 3.25Å |
| 261 | A | 90.7 | Very high | 91 | Very high | 10 Ų | 10 | 36.9 Ų | 36.9 | 8% | 0.083 | 18% | 0.183 | C | C | . | . | trans | -60.6 | 143.2 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | F232 L244 A256 | F232-A261 HydrophobicContact CE2-CB 4.29Å; L244-A261 HydrophobicContact CD1-CB 4.06Å; L244-A261 HydrophobicContact CG-CB 3.98Å; A256-A261 HydrophobicContact CB-CB 4.21Å; A256-A261 WeakPolarHBondContact O-CB 3.4Å; A256-A261 PolarHBondContact O-N 3.29Å | ||
| 262 | T | 89.4 | Confident | 90.8 | Very high | 16 Ų | 16 | 31.6 Ų | 31.6 | 10% | 0.098 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -78.3 | -38.1 | 179 | -50.2 | 0 | 0 | 0 | 0 | 112 | H241 V242 F243 V285 | H241-T262 WeakPolarHBondContact CA-OG1 3.21Å; H241-T262 HydrophobicContact CB-CG2 3.98Å; V242-T262 PolarHBondContact N-OG1 3.3Å; V242-T262 WeakPolarHBondContact O-CB 3.27Å; V242-T262 PolarHBondContact O-N 3.39Å; F243-T262 HydrophobicContact CE1-CG2 4.07Å; T262-V285 HydrophobicContact CG2-CB 4.27Å; T262-V285 HydrophobicContact CG2-CG1 3.57Å; T262-V285 HydrophobicContact CG2-CG2 3.75Å |
| 263 | A | 89.4 | Confident | 90.4 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 172.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | L4 D6 V242 F243 L244 | L4-A263 HydrophobicContact CB-CB 3.92Å; D6-A263 HydrophobicContact CB-CB 4.07Å; V242-A263 PolarHBondContact O-N 2.77Å; F243-A263 WeakPolarHBondContact CA-O 3.21Å; F243-A263 HydrophobicContact CD1-CB 3.31Å; F243-A263 HydrophobicContact CE1-CB 3.42Å; F243-A263 VanDerWaalsContact CE1-CB 3.42Å; F243-A263 HydrophobicContact CG-CB 4.14Å; F243-A263 HydrophobicContact CZ-CB 4.31Å; L244-A263 PolarHBondContact N-O 3.04Å |
| 264 | V | 91.2 | Very high | 90.3 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 137.6 | 173 | 166.9 | 0 | 0 | 0 | 0 | 106.6 | D6 L244 L247 F253 A256 F257 L272 | D6-V264 CarbonylContact C-O 3.59Å; D6-V264 PolarHBondContact N-O 3.09Å; L244-V264 WeakPolarHBondContact O-CA 3.46Å; L247-V264 HydrophobicContact CB-CG1 3.66Å; L247-V264 HydrophobicContact CD1-CB 4.42Å; L247-V264 HydrophobicContact CD1-CG1 3.75Å; L247-V264 HydrophobicContact CD1-CG2 3.85Å; L247-V264 HydrophobicContact CG-CG1 3.82Å; F253-V264 HydrophobicContact CD1-CG1 3.84Å; F253-V264 HydrophobicContact CE1-CG1 3.87Å; A256-V264 HydrophobicContact CB-CG2 3.49Å; A256-V264 VanDerWaalsContact CB-CG2 3.49Å; F257-V264 HydrophobicContact CE1-CG2 4.25Å; F257-V264 HydrophobicContact CE2-CG2 4.05Å; F257-V264 HydrophobicContact CZ-CB 4.32Å; F257-V264 HydrophobicContact CZ-CG2 3.76Å; V264-L272 HydrophobicContact CB-CD2 4.15Å; V264-L272 HydrophobicContact CG1-CD2 4.3Å |
| 265 | M | 91.1 | Very high | 90.2 | Very high | 8 Ų | 8 | 32.5 Ų | 32.5 | 4% | 0.039 | 16% | 0.161 | C | C | . | . | B | Isolated β-bridge | trans | -92.2 | 131.2 | 164.5 | -63 | 162.5 | 167.3 | 0 | 0 | 109 | D6 E34 N115 E194 F243 L244 W245 L247 | D6-M265 HydrophobicContact CB-CG 3.94Å; D6-M265 WeakPolarHBondContact O-CA 3.34Å; D6-M265 WeakPolarHBondContact OD2-CE 3.48Å; D6-M265 VanDerWaalsContact OD2-CG 3.3Å; D6-M265 WeakPolarHBondContact OD2-CG 3.23Å; E34-M265 HydrophobicContact CB-CE 4.5Å; E34-M265 HydrophobicContact CG-CE 4.15Å; N115-M265 WeakPolarHBondContact ND2-CE 3.26Å; E194-M265 HydrophobicContact CG-CE 3.77Å; F243-M265 HydrophobicContact CD2-CE 4.28Å; L244-M265 PolarHBondContact O-N 2.97Å; W245-M265 HydrophobicContact CB-CB 3.85Å; W245-M265 HydrophobicContact CB-CG 4.29Å; W245-M265 HydrophobicContact CB-SD 3.64Å; W245-M265 HydrophobicContact CG-SD 4.05Å; L247-M265 PolarHBondContact N-O 2.92Å |
| 266 | T | 91.2 | Very high | 89.8 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.147 | C | C | . | . | trans | -142.2 | 147.4 | -176.5 | -174 | 0 | 0 | 0 | 0 | 112.7 | Y7 T8 L247 N248 Y268 L272 | Y7-T266 HydrophobicContact CD1-CG2 3.49Å; Y7-T266 VanDerWaalsContact CD1-CG2 3.49Å; Y7-T266 HydrophobicContact CE1-CG2 3.8Å; T8-T266 PolarHBondContact OG1-O 3.42Å; T8-T266 VanDerWaalsContact OG1-O 3.11Å; L247-T266 VanDerWaalsContact O-CA 3.31Å; L247-T266 WeakPolarHBondContact O-CA 3.35Å; L247-T266 WeakPolarHBondContact O-CB 3.24Å; L247-T266 PolarHBondContact O-OG1 3.48Å; N248-T266 PolarHBondContact OD1-OG1 2.99Å; N248-T266 VanDerWaalsContact OD1-OG1 3.09Å; T266-Y268 PolarHBondContact OG1-N 3.44Å; T266-L272 HydrophobicContact CG2-CB 3.75Å; T266-L272 HydrophobicContact CG2-CD2 3.66Å; T266-L272 HydrophobicContact CG2-CG 4.35Å | ||
| 267 | D | 89.4 | Confident | 89.6 | Confident | 9 Ų | 9 | 35.2 Ų | 35.2 | 5% | 0.048 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -77.6 | -11.8 | 171.9 | -60 | -44.4 | 0 | 0 | 0 | 113.1 | T8 G12 V86 V246 N248 P269 | T8-D267 PolarHBondContact OG1-N 2.95Å; T8-D267 PolarHBondContact OG1-OD1 2.82Å; G12-D267 PolarHBondContact N-O 2.7Å; V86-D267 HydrophobicContact CG1-CB 3.88Å; V246-D267 WeakPolarHBondContact CG1-OD2 3.06Å; N248-D267 PolarHBondContact ND2-OD2 3.13Å; N248-D267 WeakPolarHBondContact OD1-CB 3.48Å; N248-D267 PolarHBondContact OD1-N 2.72Å; D267-P269 WeakPolarHBondContact O-CD 3.49Å |
| 268 | Y | 90 | Very high | 89.5 | Confident | 60 Ų | 60 | 39.3 Ų | 39.3 | 24% | 0.235 | 20% | 0.2 | C | C | . | . | trans | -116.7 | 74 | -176.8 | -63.9 | -77.8 | 0 | 0 | 0 | 112.1 | E13 V86 N248 T266 T270 K271 L272 | E13-Y268 HydrophobicContact CG-CD1 4Å; E13-Y268 WeakPolarHBondContact OE1-CA 3.48Å; V86-Y268 HydrophobicContact CG1-CE2 4.45Å; V86-Y268 HydrophobicContact CG2-CE2 4.12Å; N248-Y268 HydrophobicContact CB-CD2 3.73Å; N248-Y268 HydrophobicContact CB-CE2 3.93Å; T266-Y268 PolarHBondContact OG1-N 3.44Å; Y268-T270 VanDerWaalsContact C-N 3.28Å; Y268-T270 PolarHBondContact O-N 2.91Å; Y268-K271 PolarHBondContact O-N 3.17Å; Y268-K271 VanDerWaalsContact O-N 3.12Å; Y268-L272 PolarHBondContact O-N 2.77Å | ||
| 269 | P | 86.3 | Confident | 89.4 | Confident | 2 Ų | 2 | 37.6 Ų | 37.6 | 1% | 0.013 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -54.4 | -40.1 | -175.2 | 0.4 | -13.2 | 0 | 0 | 0 | 115.6 | Y7 E13 D267 A273 | Y7-P269 VanDerWaalsContact CD1-CA 3.42Å; Y7-P269 HydrophobicContact CD1-CB 3.4Å; Y7-P269 VanDerWaalsContact CD1-CB 3.4Å; Y7-P269 HydrophobicContact CD1-CG 4.23Å; Y7-P269 HydrophobicContact CE1-CB 3.49Å; Y7-P269 VanDerWaalsContact CE1-CB 3.49Å; Y7-P269 HydrophobicContact CG-CB 4.12Å; E13-P269 HydrophobicContact CB-CG 4.34Å; E13-P269 VanDerWaalsContact CD-CD 3.48Å; E13-P269 VanDerWaalsContact OE1-N 3.16Å; E13-P269 WeakPolarHBondContact OE2-CG 3.4Å; D267-P269 WeakPolarHBondContact O-CD 3.49Å; P269-A273 WeakPolarHBondContact O-CB 3.24Å; P269-A273 PolarHBondContact O-N 3.12Å; P269-A273 VanDerWaalsContact O-N 3.08Å |
| 270 | T | 86.7 | Confident | 89 | Confident | 60 Ų | 60 | 40.2 Ų | 40.2 | 37% | 0.368 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -68.1 | -40.4 | -179.8 | -51.6 | 0 | 0 | 0 | 0 | 111 | E13 N28 Y268 A273 E274 | E13-T270 VanDerWaalsContact CD-OG1 3.32Å; E13-T270 VanDerWaalsContact OE1-CB 3.27Å; E13-T270 WeakPolarHBondContact OE1-CB 3.3Å; E13-T270 PolarHBondContact OE1-N 3.23Å; E13-T270 PolarHBondContact OE1-OG1 2.94Å; E13-T270 WeakPolarHBondContact OE2-CB 3.48Å; E13-T270 PolarHBondContact OE2-N 2.84Å; E13-T270 VanDerWaalsContact OE2-N 3.07Å; E13-T270 PolarHBondContact OE2-OG1 3.35Å; N28-T270 PolarHBondContact ND2-OG1 3.05Å; Y268-T270 VanDerWaalsContact C-N 3.28Å; Y268-T270 PolarHBondContact O-N 2.91Å; T270-A273 WeakPolarHBondContact O-CB 3.47Å; T270-A273 PolarHBondContact O-N 3.36Å; T270-E274 WeakPolarHBondContact O-CB 3.48Å; T270-E274 PolarHBondContact O-N 2.76Å |
| 271 | K | 90.4 | Very high | 88.1 | Confident | 55 Ų | 55 | 40.5 Ų | 40.5 | 24% | 0.239 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.3 | -45.1 | 179.8 | -169 | -177.6 | 176.9 | 177.3 | 0 | 111.9 | N248 E249 D250 F253 Y268 A273 E274 Y275 | N248-K271 WeakPolarHBondContact O-CD 3.43Å; N248-K271 WeakPolarHBondContact O-CE 3.28Å; N248-K271 PolarHBondContact O-NZ 3.06Å; E249-K271 IonicContact OE1-NZ 3.82Å; E249-K271 PolarHBondContact OE1-NZ 2.81Å; E249-K271 VanDerWaalsContact OE1-NZ 3.11Å; E249-K271 IonicContact OE2-NZ 3.58Å; E249-K271 PolarHBondContact OE2-NZ 3.5Å; D250-K271 WeakPolarHBondContact OD1-CE 3.16Å; F253-K271 HydrophobicContact CE2-CD 4.37Å; F253-K271 HydrophobicContact CE2-CG 4.16Å; Y268-K271 PolarHBondContact O-N 3.17Å; Y268-K271 VanDerWaalsContact O-N 3.12Å; K271-A273 VanDerWaalsContact C-N 3.33Å; K271-A273 PolarHBondContact O-N 3.36Å; K271-E274 PolarHBondContact O-N 3.15Å; K271-Y275 WeakPolarHBondContact O-CB 3.4Å; K271-Y275 PolarHBondContact O-N 2.93Å |
| 272 | L | 88.8 | Confident | 87 | Confident | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.7 | -36.9 | 174.2 | 177.4 | 61.8 | 0 | 0 | 0 | 111.7 | R5 Y7 F253 F257 V264 T266 Y268 L276 | R5-L272 HydrophobicContact CB-CD2 4.46Å; Y7-L272 HydrophobicContact CE1-CB 4.34Å; Y7-L272 HydrophobicContact CE1-CD2 3.98Å; F253-L272 HydrophobicContact CB-CD1 4.44Å; F253-L272 HydrophobicContact CD1-CD1 3.95Å; F253-L272 HydrophobicContact CD2-CD1 4.09Å; F253-L272 HydrophobicContact CE1-CB 4.36Å; F253-L272 HydrophobicContact CE1-CD1 4.12Å; F253-L272 HydrophobicContact CE2-CB 4.08Å; F253-L272 HydrophobicContact CE2-CD1 4.3Å; F253-L272 HydrophobicContact CG-CD1 3.92Å; F253-L272 HydrophobicContact CZ-CB 3.91Å; F253-L272 HydrophobicContact CZ-CD1 4.31Å; F257-L272 HydrophobicContact CE2-CD1 3.98Å; F257-L272 HydrophobicContact CZ-CD1 4.19Å; V264-L272 HydrophobicContact CB-CD2 4.15Å; V264-L272 HydrophobicContact CG1-CD2 4.3Å; T266-L272 HydrophobicContact CG2-CB 3.75Å; T266-L272 HydrophobicContact CG2-CD2 3.66Å; T266-L272 HydrophobicContact CG2-CG 4.35Å; Y268-L272 PolarHBondContact O-N 2.77Å; L272-L276 HydrophobicContact CD1-CD1 3.74Å; L272-L276 HydrophobicContact CD1-CG 4.04Å; L272-L276 HydrophobicContact CG-CD1 3.87Å; L272-L276 WeakPolarHBondContact O-CB 3.46Å; L272-L276 VanDerWaalsContact O-CG 3.3Å; L272-L276 WeakPolarHBondContact O-CG 3.49Å; L272-L276 PolarHBondContact O-N 2.79Å |
| 273 | A | 85.9 | Confident | 85.9 | Confident | 10 Ų | 10 | 57.3 Ų | 57.3 | 8% | 0.083 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.1 | -42.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | R5 P269 T270 K271 L277 | R5-A273 VanDerWaalsContact NH1-CB 3.33Å; R5-A273 PolarHBondContact NH2-O 3.36Å; R5-A273 VanDerWaalsContact NH2-O 3.15Å; P269-A273 WeakPolarHBondContact O-CB 3.24Å; P269-A273 PolarHBondContact O-N 3.12Å; P269-A273 VanDerWaalsContact O-N 3.08Å; T270-A273 WeakPolarHBondContact O-CB 3.47Å; T270-A273 PolarHBondContact O-N 3.36Å; K271-A273 VanDerWaalsContact C-N 3.33Å; K271-A273 PolarHBondContact O-N 3.36Å; A273-L277 WeakPolarHBondContact O-CG 3.37Å; A273-L277 PolarHBondContact O-N 3.22Å |
| 274 | E | 90 | Very high | 84.4 | Confident | 114 Ų | 114 | 60.7 Ų | 60.7 | 53% | 0.533 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -65.9 | -48.6 | 174.5 | -177.3 | 173 | -159.8 | 0 | 0 | 111.8 | T270 K271 L276 L277 H278 | T270-E274 WeakPolarHBondContact O-CB 3.48Å; T270-E274 PolarHBondContact O-N 2.76Å; K271-E274 PolarHBondContact O-N 3.15Å; E274-L276 PolarHBondContact O-N 3.12Å; E274-L277 WeakPolarHBondContact O-CB 3.37Å; E274-L277 PolarHBondContact O-N 3.46Å; E274-L277 VanDerWaalsContact O-N 3.07Å; E274-H278 PolarHBondContact O-CD2 3.04Å; E274-H278 PolarHBondContact O-N 3.31Å |
| 275 | Y | 91.6 | Very high | 82.8 | Confident | 19 Ų | 19 | 62.2 Ų | 62.2 | 8% | 0.075 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -51.4 | -45.3 | 175.8 | 175.2 | -88.4 | 0 | 0 | 0 | 111.5 | D250 F253 K254 F257 K271 H278 H279 | D250-Y275 HydrophobicContact CB-CD2 4.11Å; D250-Y275 HydrophobicContact CB-CE2 4.41Å; F253-Y275 HydrophobicContact CB-CD1 3.91Å; F253-Y275 HydrophobicContact CB-CD2 4.32Å; F253-Y275 HydrophobicContact CB-CE1 3.95Å; F253-Y275 HydrophobicContact CB-CE2 4.33Å; F253-Y275 HydrophobicContact CB-CG 4.14Å; F253-Y275 HydrophobicContact CD2-CD1 4.35Å; F253-Y275 HydrophobicContact CD2-CD2 4.26Å; F253-Y275 AromaticContact CD2-CG 3.92Å; F253-Y275 HydrophobicContact CD2-CG 3.92Å; F253-Y275 HydrophobicContact CG-CG 4.5Å; K254-Y275 WeakPolarHBondContact CA-OH 3.33Å; K254-Y275 HydrophobicContact CB-CE2 4.34Å; K254-Y275 WeakPolarHBondContact CB-OH 3.32Å; F257-Y275 AromaticContact CD2-CE1 4Å; F257-Y275 HydrophobicContact CD2-CE1 4Å; F257-Y275 HydrophobicContact CE2-CD1 4.46Å; F257-Y275 HydrophobicContact CE2-CE1 4.23Å; K271-Y275 WeakPolarHBondContact O-CB 3.4Å; K271-Y275 PolarHBondContact O-N 2.93Å; Y275-H278 PolarHBondContact O-N 3.28Å; Y275-H279 HydrophobicContact CD1-CB 4.36Å; Y275-H279 AromaticContact CD2-ND1 3.62Å; Y275-H279 HydrophobicContact CE1-CB 3.75Å; Y275-H279 AromaticContact CE2-CE1 3.67Å; Y275-H279 AromaticContact CE2-CG 3.91Å; Y275-H279 AromaticContact CE2-ND1 3.38Å; Y275-H279 WeakPolarHBondContact CE2-ND1 3.33Å; Y275-H279 AromaticContact CZ-CG 3.63Å; Y275-H279 AromaticContact CZ-ND1 3.57Å; Y275-H279 WeakPolarHBondContact O-CB 3.38Å; Y275-H279 PolarHBondContact O-N 3.45Å; Y275-H279 PolarHBondContact O-ND1 2.92Å |
| 276 | L | 87.6 | Confident | 81 | Confident | 2 Ų | 2 | 70.4 Ų | 70.4 | 1% | 0.01 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -76.9 | -19.6 | -178 | -73.6 | 171.1 | 0 | 0 | 0 | 114.8 | M3 R5 F257 L272 E274 H278 H279 | M3-L276 HydrophobicContact CG-CD1 4.15Å; M3-L276 HydrophobicContact SD-CB 3.63Å; M3-L276 HydrophobicContact SD-CD1 3.8Å; M3-L276 HydrophobicContact SD-CD2 4.25Å; M3-L276 HydrophobicContact SD-CG 4.11Å; R5-L276 HydrophobicContact CG-CD1 3.53Å; F257-L276 HydrophobicContact CD2-CD2 4.22Å; F257-L276 HydrophobicContact CE2-CD2 3.71Å; F257-L276 HydrophobicContact CE2-CG 4.36Å; F257-L276 HydrophobicContact CZ-CD1 4.25Å; F257-L276 HydrophobicContact CZ-CD2 3.9Å; L272-L276 HydrophobicContact CD1-CD1 3.74Å; L272-L276 HydrophobicContact CD1-CG 4.04Å; L272-L276 HydrophobicContact CG-CD1 3.87Å; L272-L276 WeakPolarHBondContact O-CB 3.46Å; L272-L276 VanDerWaalsContact O-CG 3.3Å; L272-L276 WeakPolarHBondContact O-CG 3.49Å; L272-L276 PolarHBondContact O-N 2.79Å; E274-L276 PolarHBondContact O-N 3.12Å; L276-H278 VanDerWaalsContact C-N 3.31Å; L276-H279 CarbonylContact O-C 3.51Å |
| 277 | L | 87.9 | Confident | 79.1 | Confident | 135 Ų | 135 | 71.1 Ų | 71.1 | 71% | 0.707 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -68.8 | -34 | 167.5 | -74.3 | 168.5 | 0 | 0 | 0 | 111.2 | A273 E274 | A273-L277 WeakPolarHBondContact O-CG 3.37Å; A273-L277 PolarHBondContact O-N 3.22Å; E274-L277 WeakPolarHBondContact O-CB 3.37Å; E274-L277 PolarHBondContact O-N 3.46Å; E274-L277 VanDerWaalsContact O-N 3.07Å |
| 278 | H | 90.3 | Very high | 77 | Confident | 135 Ų | 135 | 73.6 Ų | 73.6 | 63% | 0.625 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -86.7 | -25.4 | 176.5 | -67.8 | -61.3 | 0 | 0 | 0 | 113.8 | E274 Y275 L276 P280 | E274-H278 PolarHBondContact O-CD2 3.04Å; E274-H278 PolarHBondContact O-N 3.31Å; Y275-H278 PolarHBondContact O-N 3.28Å; L276-H278 VanDerWaalsContact C-N 3.31Å; H278-P280 VanDerWaalsContact C-CD 3.49Å; H278-P280 WeakPolarHBondContact O-CD 3.3Å |
| 279 | H | 89.5 | Confident | 75 | Confident | 98 Ų | 98 | 79.6 Ų | 79.6 | 45% | 0.454 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -126.5 | 67.1 | -178.3 | -53.6 | 91.3 | 0 | 0 | 0 | 111.2 | Y275 L276 | Y275-H279 HydrophobicContact CD1-CB 4.36Å; Y275-H279 AromaticContact CD2-ND1 3.62Å; Y275-H279 HydrophobicContact CE1-CB 3.75Å; Y275-H279 AromaticContact CE2-CE1 3.67Å; Y275-H279 AromaticContact CE2-CG 3.91Å; Y275-H279 AromaticContact CE2-ND1 3.38Å; Y275-H279 WeakPolarHBondContact CE2-ND1 3.33Å; Y275-H279 AromaticContact CZ-CG 3.63Å; Y275-H279 AromaticContact CZ-ND1 3.57Å; Y275-H279 WeakPolarHBondContact O-CB 3.38Å; Y275-H279 PolarHBondContact O-N 3.45Å; Y275-H279 PolarHBondContact O-ND1 2.92Å; L276-H279 CarbonylContact O-C 3.51Å |
| 280 | P | 81.5 | Confident | 72.9 | Confident | 85 Ų | 85 | 80 Ų | 80 | 55% | 0.552 | 39% | 0.394 | S | S | * | . | trans | -60.4 | 139.2 | -179.7 | 25 | -34.4 | 0 | 0 | 0 | 111.3 | H278 | H278-P280 VanDerWaalsContact C-CD 3.49Å; H278-P280 WeakPolarHBondContact O-CD 3.3Å | ||
| 281 | P | 70.4 | Confident | 70.6 | Confident | 32 Ų | 32 | 85.1 Ų | 85.1 | 21% | 0.208 | 41% | 0.414 | C | S | . | . | trans | -64.9 | 150.8 | -179.8 | 28.3 | -35.3 | 0 | 0 | 0 | 111.4 | M3 E283 | M3-P281 HydrophobicContact CE-CG 4.07Å; M3-P281 HydrophobicContact CG-CG 4.21Å; P281-E283 VanDerWaalsContact C-N 3.3Å; P281-E283 PolarHBondContact O-N 3.46Å | ||
| 282 | K | 68.9 | Low | 68.5 | Low | 216 Ų | 216 | 85.1 Ų | 85.1 | 94% | 0.939 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -65.6 | -31.6 | -176.3 | -67.3 | 177.5 | -178.6 | 170 | 0 | 113.4 | ||
| 283 | E | 65.2 | Low | 66.4 | Low | 163 Ų | 163 | 85.3 Ų | 85.3 | 76% | 0.762 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -135.7 | 137.5 | 174.3 | -65.7 | -176 | 175.4 | 0 | 0 | 108.2 | P281 | P281-E283 VanDerWaalsContact C-N 3.3Å; P281-E283 PolarHBondContact O-N 3.46Å |
| 284 | P | 58 | Low | 64.4 | Low | 70 Ų | 70 | 86.9 Ų | 86.9 | 46% | 0.455 | 43% | 0.432 | S | S | . | . | trans | -71.4 | 141.4 | 173.5 | 29.3 | -32.6 | 0 | 0 | 0 | 111 | M1 | M1-P284 HydrophobicContact CG-CB 3.92Å; M1-P284 HydrophobicContact CG-CG 4.48Å | ||
| 285 | V | 57.7 | Low | 62.5 | Low | 32 Ų | 32 | 87.9 Ų | 87.9 | 19% | 0.194 | 44% | 0.437 | C | S | . | . | trans | -87.7 | 113 | 176.2 | -175.5 | 0 | 0 | 0 | 0 | 109.3 | M3 L4 T262 F287 | M3-V285 PolarHBondContact O-N 3.1Å; L4-V285 HydrophobicContact CB-CB 4.45Å; L4-V285 HydrophobicContact CD1-CB 4.13Å; L4-V285 HydrophobicContact CD1-CG1 4.01Å; T262-V285 HydrophobicContact CG2-CB 4.27Å; T262-V285 HydrophobicContact CG2-CG1 3.57Å; T262-V285 HydrophobicContact CG2-CG2 3.75Å; V285-F287 PolarHBondContact O-N 2.88Å | ||
| 286 | E | 53.7 | Low | 60.6 | Low | 181 Ų | 181 | 87.9 Ų | 87.9 | 85% | 0.846 | 44% | 0.442 | S | S | * | . | P | Polyproline II helix | trans | -75 | 118.1 | 170.1 | -72.5 | -174.7 | 155.5 | 0 | 0 | 110.8 | ||
| 287 | F | 51.8 | Low | 58.9 | Low | 14 Ų | 14 | 89.1 Ų | 89.1 | 6% | 0.061 | 45% | 0.449 | C | S | . | . | P | Polyproline II helix | trans | -102.9 | 148.6 | 162.3 | -126.6 | -110.3 | 0 | 0 | 0 | 109.3 | L4 M32 P113 F192 V285 R289 L290 | L4-F287 HydrophobicContact CD1-CB 4.09Å; L4-F287 HydrophobicContact CD1-CD2 3.62Å; L4-F287 HydrophobicContact CD1-CE2 4.3Å; L4-F287 HydrophobicContact CD1-CG 4.12Å; L4-F287 HydrophobicContact CD2-CD2 3.6Å; L4-F287 HydrophobicContact CD2-CE2 3.37Å; L4-F287 HydrophobicContact CD2-CG 4.5Å; L4-F287 HydrophobicContact CD2-CZ 4.12Å; L4-F287 HydrophobicContact CG-CD2 4.26Å; L4-F287 HydrophobicContact CG-CE2 4.48Å; M32-F287 HydrophobicContact SD-CZ 4.2Å; P113-F287 HydrophobicContact CB-CD1 4.14Å; P113-F287 HydrophobicContact CB-CE1 3.94Å; P113-F287 HydrophobicContact CG-CD1 3.88Å; P113-F287 HydrophobicContact CG-CE1 4.21Å; F192-F287 AromaticContact CE1-CE2 3.62Å; F192-F287 HydrophobicContact CE1-CE2 3.62Å; F192-F287 AromaticContact CE1-CZ 3.47Å; F192-F287 HydrophobicContact CE1-CZ 3.47Å; F192-F287 VanDerWaalsContact CE1-CZ 3.47Å; F192-F287 HydrophobicContact CZ-CE1 4.37Å; F192-F287 AromaticContact CZ-CE2 3.73Å; F192-F287 HydrophobicContact CZ-CE2 3.73Å; F192-F287 AromaticContact CZ-CZ 3.38Å; F192-F287 HydrophobicContact CZ-CZ 3.38Å; V285-F287 PolarHBondContact O-N 2.88Å; F287-R289 PolarHBondContact O-N 3.15Å; F287-L290 HydrophobicContact CB-CD1 3.46Å; F287-L290 VanDerWaalsContact CB-CD1 3.46Å; F287-L290 HydrophobicContact CB-CG 4.09Å |
| 288 | P | 43.9 | Very low | 57.4 | Low | 62 Ų | 62 | 87 Ų | 87 | 40% | 0.403 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | 125.5 | 176.5 | -23.1 | 34 | 0 | 0 | 0 | 111.7 | ||
| 289 | R | 48 | Very low | 55.8 | Low | 185 Ų | 185 | 85 Ų | 85 | 70% | 0.698 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.4 | 44 | 173.1 | -55 | -172.2 | -173.1 | -162.3 | 3.4 | 118.1 | E140 F287 E291 | E140-R289 IonicContact OE2-NE 2.98Å; E140-R289 IonicContact OE2-NH2 3.69Å; F287-R289 PolarHBondContact O-N 3.15Å; R289-E291 VanDerWaalsContact C-N 3.32Å; R289-E291 PolarHBondContact O-N 3.47Å |
| 290 | L | 43.9 | Very low | 53.9 | Low | 12 Ų | 12 | 81.2 Ų | 81.2 | 6% | 0.063 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -72.7 | -15.5 | 169.1 | -81 | 159.5 | 0 | 0 | 0 | 115.2 | F2 L4 F287 V292 V293 A294 | F2-L290 HydrophobicContact CB-CB 4.44Å; F2-L290 HydrophobicContact CB-CD1 3.85Å; F2-L290 HydrophobicContact CD2-CB 4.2Å; F2-L290 HydrophobicContact CG-CB 4.27Å; L4-L290 HydrophobicContact CD1-CD1 4.45Å; F287-L290 HydrophobicContact CB-CD1 3.46Å; F287-L290 VanDerWaalsContact CB-CD1 3.46Å; F287-L290 HydrophobicContact CB-CG 4.09Å; L290-V292 VanDerWaalsContact C-N 3.33Å; L290-V292 PolarHBondContact O-N 3.35Å; L290-V293 HydrophobicContact CD2-CB 4Å; L290-V293 HydrophobicContact CD2-CG1 4.18Å; L290-V293 HydrophobicContact CD2-CG2 3.91Å; L290-V293 WeakPolarHBondContact O-CB 3.34Å; L290-V293 PolarHBondContact O-N 3.47Å; L290-V293 VanDerWaalsContact O-N 3.12Å; L290-A294 PolarHBondContact O-N 3.31Å |
| 291 | E | 38 | Very low | 52.8 | Low | 167 Ų | 167 | 80.8 Ų | 80.8 | 78% | 0.78 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -63.7 | -36.5 | 179.3 | -66.1 | -175.4 | 147.2 | 0 | 0 | 112.8 | R289 V293 A294 | R289-E291 VanDerWaalsContact C-N 3.32Å; R289-E291 PolarHBondContact O-N 3.47Å; E291-V293 VanDerWaalsContact C-N 3.34Å; E291-A294 PolarHBondContact O-N 3.43Å |
| 292 | V | 45.9 | Very low | 52.5 | Low | 54 Ų | 54 | 85 Ų | 85 | 33% | 0.327 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -76.7 | -24.4 | 175.7 | -165.2 | 0 | 0 | 0 | 0 | 111.5 | Y111 L290 A294 E295 G296 | Y111-V292 HydrophobicContact CD1-CB 4.18Å; Y111-V292 HydrophobicContact CD1-CG1 3.66Å; Y111-V292 HydrophobicContact CD2-CG1 4.01Å; Y111-V292 HydrophobicContact CE1-CB 4.46Å; Y111-V292 HydrophobicContact CE1-CG1 3.54Å; Y111-V292 HydrophobicContact CE2-CG1 3.89Å; Y111-V292 HydrophobicContact CG-CB 4.4Å; Y111-V292 HydrophobicContact CG-CG1 3.9Å; L290-V292 VanDerWaalsContact C-N 3.33Å; L290-V292 PolarHBondContact O-N 3.35Å; V292-A294 VanDerWaalsContact C-N 3.32Å; V292-E295 PolarHBondContact O-N 2.96Å; V292-G296 PolarHBondContact O-N 2.94Å |
| 293 | V | 44.2 | Very low | 51.9 | Low | 5 Ų | 5 | 80.7 Ų | 80.7 | 3% | 0.03 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -65.8 | -36.8 | 173.6 | -177.1 | 0 | 0 | 0 | 0 | 110.7 | Y111 L112 L290 E291 G296 I297 | Y111-V293 VanDerWaalsContact O-CG2 3.26Å; Y111-V293 WeakPolarHBondContact O-CG2 3.2Å; L112-V293 HydrophobicContact CD1-CG1 4.48Å; L290-V293 HydrophobicContact CD2-CB 4Å; L290-V293 HydrophobicContact CD2-CG1 4.18Å; L290-V293 HydrophobicContact CD2-CG2 3.91Å; L290-V293 WeakPolarHBondContact O-CB 3.34Å; L290-V293 PolarHBondContact O-N 3.47Å; L290-V293 VanDerWaalsContact O-N 3.12Å; E291-V293 VanDerWaalsContact C-N 3.34Å; V293-G296 PolarHBondContact O-N 3.24Å; V293-I297 HydrophobicContact CG1-CD1 3.69Å; V293-I297 HydrophobicContact CG1-CG1 4.07Å; V293-I297 WeakPolarHBondContact O-CB 3.21Å; V293-I297 WeakPolarHBondContact O-CG1 3.33Å; V293-I297 PolarHBondContact O-N 2.96Å |
| 294 | A | 44.3 | Very low | 51.5 | Low | 43 Ų | 43 | 76.5 Ų | 76.5 | 36% | 0.355 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62.3 | -44.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | F2 L290 E291 V292 E298 | F2-A294 HydrophobicContact CE1-CB 4.14Å; F2-A294 HydrophobicContact CZ-CB 4.03Å; L290-A294 PolarHBondContact O-N 3.31Å; E291-A294 PolarHBondContact O-N 3.43Å; V292-A294 VanDerWaalsContact C-N 3.32Å; A294-E298 WeakPolarHBondContact O-CB 3.34Å; A294-E298 PolarHBondContact O-N 3.33Å; A294-E298 VanDerWaalsContact O-N 3.16Å |
| 295 | E | 50.1 | Low | 52 | Low | 136 Ų | 136 | 79.4 Ų | 79.4 | 64% | 0.636 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -66.2 | -41.1 | 173 | -69.1 | -169.9 | 144.9 | 0 | 0 | 111.9 | V292 E298 I299 | V292-E295 PolarHBondContact O-N 2.96Å; E295-E298 PolarHBondContact O-N 2.88Å; E295-I299 VanDerWaalsContact O-CG1 3.32Å; E295-I299 WeakPolarHBondContact O-CG1 3.47Å; E295-I299 PolarHBondContact O-N 3.29Å |
| 296 | G | 51.3 | Low | 52.3 | Low | 18 Ų | 18 | 80.8 Ų | 80.8 | 19% | 0.186 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -63.8 | -41.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114 | V292 V293 E298 I299 A300 | V292-G296 PolarHBondContact O-N 2.94Å; V293-G296 PolarHBondContact O-N 3.24Å; G296-E298 VanDerWaalsContact C-N 3.33Å; G296-I299 PolarHBondContact O-N 3.49Å; G296-A300 WeakPolarHBondContact O-CB 3.42Å; G296-A300 PolarHBondContact O-N 2.87Å |
| 297 | I | 52.4 | Low | 52.6 | Low | 29 Ų | 29 | 77 Ų | 77 | 15% | 0.149 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -65.8 | -38.5 | 173.7 | -72.1 | 173.8 | 0 | 0 | 0 | 110.3 | V293 I299 A300 K301 | V293-I297 HydrophobicContact CG1-CD1 3.69Å; V293-I297 HydrophobicContact CG1-CG1 4.07Å; V293-I297 WeakPolarHBondContact O-CB 3.21Å; V293-I297 WeakPolarHBondContact O-CG1 3.33Å; V293-I297 PolarHBondContact O-N 2.96Å; I297-I299 VanDerWaalsContact C-N 3.34Å; I297-A300 PolarHBondContact O-N 3.22Å; I297-K301 HydrophobicContact CG2-CD 4.26Å; I297-K301 HydrophobicContact CG2-CG 4.47Å; I297-K301 WeakPolarHBondContact O-CB 3.27Å; I297-K301 WeakPolarHBondContact O-CG 3.42Å; I297-K301 PolarHBondContact O-N 3.35Å |
| 298 | E | 56 | Low | 53 | Low | 91 Ų | 91 | 79.1 Ų | 79.1 | 43% | 0.425 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -69.4 | -32.1 | 177.7 | -166.9 | 66.1 | -173 | 0 | 0 | 112.4 | A294 E295 G296 K302 | A294-E298 WeakPolarHBondContact O-CB 3.34Å; A294-E298 PolarHBondContact O-N 3.33Å; A294-E298 VanDerWaalsContact O-N 3.16Å; E295-E298 PolarHBondContact O-N 2.88Å; G296-E298 VanDerWaalsContact C-N 3.33Å; E298-K302 WeakPolarHBondContact O-CD 3.21Å; E298-K302 WeakPolarHBondContact O-CG 3.41Å; E298-K302 PolarHBondContact O-N 2.96Å; E298-K302 IonicContact OE1-NZ 2.66Å |
| 299 | I | 56.6 | Low | 54.2 | Low | 92 Ų | 92 | 82.8 Ų | 82.8 | 47% | 0.472 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -67.9 | -50.2 | 169.1 | -68.6 | 163.2 | 0 | 0 | 0 | 110.2 | E295 G296 I297 K301 K302 E303 | E295-I299 VanDerWaalsContact O-CG1 3.32Å; E295-I299 WeakPolarHBondContact O-CG1 3.47Å; E295-I299 PolarHBondContact O-N 3.29Å; G296-I299 PolarHBondContact O-N 3.49Å; I297-I299 VanDerWaalsContact C-N 3.34Å; I299-K301 VanDerWaalsContact C-N 3.31Å; I299-K301 PolarHBondContact O-N 3.08Å; I299-K302 WeakPolarHBondContact O-CB 3.48Å; I299-K302 PolarHBondContact O-N 3.03Å; I299-E303 HydrophobicContact CG2-CG 4.45Å; I299-E303 PolarHBondContact O-N 3.39Å |
| 300 | A | 50.1 | Low | 55.1 | Low | 18 Ų | 18 | 75.7 Ų | 75.7 | 15% | 0.149 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -60 | -38.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | G296 I297 E303 V304 | G296-A300 WeakPolarHBondContact O-CB 3.42Å; G296-A300 PolarHBondContact O-N 2.87Å; I297-A300 PolarHBondContact O-N 3.22Å; A300-E303 PolarHBondContact O-N 3.35Å; A300-V304 WeakPolarHBondContact O-CG2 3.24Å; A300-V304 PolarHBondContact O-N 3.09Å |
| 301 | K | 58.2 | Low | 56 | Low | 77 Ų | 77 | 80 Ų | 80 | 34% | 0.335 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -59.4 | -48.3 | 171.7 | -78.9 | 176.4 | 179.8 | 177.2 | 0 | 111.8 | I297 I299 E303 V304 E305 | I297-K301 HydrophobicContact CG2-CD 4.26Å; I297-K301 HydrophobicContact CG2-CG 4.47Å; I297-K301 WeakPolarHBondContact O-CB 3.27Å; I297-K301 WeakPolarHBondContact O-CG 3.42Å; I297-K301 PolarHBondContact O-N 3.35Å; I299-K301 VanDerWaalsContact C-N 3.31Å; I299-K301 PolarHBondContact O-N 3.08Å; K301-E303 VanDerWaalsContact C-N 3.31Å; K301-E303 PolarHBondContact O-N 2.93Å; K301-V304 PolarHBondContact O-N 3.43Å; K301-E305 WeakPolarHBondContact O-CB 3.26Å; K301-E305 WeakPolarHBondContact O-CG 3.4Å; K301-E305 PolarHBondContact O-N 2.86Å |
| 302 | K | 64.9 | Low | 57.6 | Low | 119 Ų | 119 | 76.2 Ų | 76.2 | 52% | 0.517 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -63.2 | -36 | 177.6 | -73.3 | 166.3 | -174.7 | 161.4 | 0 | 112.6 | E298 I299 A306 | E298-K302 WeakPolarHBondContact O-CD 3.21Å; E298-K302 WeakPolarHBondContact O-CG 3.41Å; E298-K302 PolarHBondContact O-N 2.96Å; E298-K302 IonicContact OE1-NZ 2.66Å; I299-K302 WeakPolarHBondContact O-CB 3.48Å; I299-K302 PolarHBondContact O-N 3.03Å; K302-A306 WeakPolarHBondContact O-CB 3.32Å; K302-A306 PolarHBondContact O-N 3.34Å |
| 303 | E | 56.3 | Low | 58.9 | Low | 126 Ų | 126 | 77.7 Ų | 77.7 | 59% | 0.589 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -67.8 | -44 | 174.6 | -71.1 | -178.2 | 167.9 | 0 | 0 | 111.7 | I299 A300 K301 A306 V307 | I299-E303 HydrophobicContact CG2-CG 4.45Å; I299-E303 PolarHBondContact O-N 3.39Å; A300-E303 PolarHBondContact O-N 3.35Å; K301-E303 VanDerWaalsContact C-N 3.31Å; K301-E303 PolarHBondContact O-N 2.93Å; E303-A306 PolarHBondContact O-N 2.97Å; E303-V307 WeakPolarHBondContact O-CB 3.3Å; E303-V307 VanDerWaalsContact O-CG2 3.3Å; E303-V307 WeakPolarHBondContact O-CG2 3.34Å; E303-V307 PolarHBondContact O-N 3.31Å |
| 304 | V | 56.8 | Low | 59.8 | Low | 75 Ų | 75 | 79.7 Ų | 79.7 | 46% | 0.455 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -63.6 | -42.3 | 174.9 | 170.8 | 0 | 0 | 0 | 0 | 111.6 | A300 K301 V307 A308 | A300-V304 WeakPolarHBondContact O-CG2 3.24Å; A300-V304 PolarHBondContact O-N 3.09Å; K301-V304 PolarHBondContact O-N 3.43Å; V304-V307 PolarHBondContact O-N 3.23Å; V304-A308 WeakPolarHBondContact O-CB 3.41Å; V304-A308 PolarHBondContact O-N 3.35Å |
| 305 | E | 67.7 | Low | 61 | Low | 132 Ų | 132 | 82.9 Ų | 82.9 | 62% | 0.617 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -62 | -46.1 | 174.3 | -75.2 | 175.8 | 169 | 0 | 0 | 111.5 | K301 V307 A308 E309 | K301-E305 WeakPolarHBondContact O-CB 3.26Å; K301-E305 WeakPolarHBondContact O-CG 3.4Å; K301-E305 PolarHBondContact O-N 2.86Å; E305-V307 PolarHBondContact O-N 3.24Å; E305-A308 PolarHBondContact O-N 2.72Å; E305-E309 WeakPolarHBondContact O-CB 3.27Å; E305-E309 PolarHBondContact O-N 2.78Å |
| 306 | A | 64.1 | Low | 62 | Low | 61 Ų | 61 | 82.8 Ų | 82.8 | 50% | 0.504 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -64.4 | -37.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | K302 E303 G310 | K302-A306 WeakPolarHBondContact O-CB 3.32Å; K302-A306 PolarHBondContact O-N 3.34Å; E303-A306 PolarHBondContact O-N 2.97Å; A306-G310 PolarHBondContact O-N 3.09Å |
| 307 | V | 60.4 | Low | 63 | Low | 102 Ų | 102 | 87.6 Ų | 87.6 | 62% | 0.618 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -65 | -43.9 | 173.1 | 169 | 0 | 0 | 0 | 0 | 110.8 | E303 V304 E305 L311 | E303-V307 WeakPolarHBondContact O-CB 3.3Å; E303-V307 VanDerWaalsContact O-CG2 3.3Å; E303-V307 WeakPolarHBondContact O-CG2 3.34Å; E303-V307 PolarHBondContact O-N 3.31Å; V304-V307 PolarHBondContact O-N 3.23Å; E305-V307 PolarHBondContact O-N 3.24Å; V307-L311 WeakPolarHBondContact O-CB 3.24Å; V307-L311 PolarHBondContact O-N 2.69Å |
| 308 | A | 59.2 | Low | 63.8 | Low | 57 Ų | 57 | 90.7 Ų | 90.7 | 47% | 0.471 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.7 | -43 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | V304 E305 L311 E312 | V304-A308 WeakPolarHBondContact O-CB 3.41Å; V304-A308 PolarHBondContact O-N 3.35Å; E305-A308 PolarHBondContact O-N 2.72Å; A308-L311 WeakPolarHBondContact O-CB 3.39Å; A308-L311 PolarHBondContact O-N 3.03Å; A308-E312 PolarHBondContact O-N 2.84Å; A308-E312 VanDerWaalsContact O-N 3.14Å |
| 309 | E | 70.8 | Confident | 64.4 | Low | 139 Ų | 139 | 94 Ų | 94 | 65% | 0.65 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -67 | -42.9 | 178.3 | -167.3 | 170.4 | -139.9 | 0 | 0 | 111.7 | E305 L311 E312 I313 | E305-E309 WeakPolarHBondContact O-CB 3.27Å; E305-E309 PolarHBondContact O-N 2.78Å; E309-L311 VanDerWaalsContact C-N 3.33Å; E309-L311 PolarHBondContact O-N 3.09Å; E309-E312 PolarHBondContact O-N 3.42Å; E309-E312 VanDerWaalsContact O-N 3.13Å; E309-I313 WeakPolarHBondContact O-CG1 3.45Å; E309-I313 PolarHBondContact O-N 2.68Å |
| 310 | G | 66.3 | Low | 64.9 | Low | 37 Ų | 37 | 96 Ų | 96 | 38% | 0.381 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.4 | -39.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | A306 E312 I313 A314 | A306-G310 PolarHBondContact O-N 3.09Å; G310-E312 VanDerWaalsContact C-N 3.3Å; G310-E312 PolarHBondContact O-N 2.91Å; G310-I313 PolarHBondContact O-N 3.05Å; G310-A314 WeakPolarHBondContact O-CB 3.14Å; G310-A314 PolarHBondContact O-N 2.77Å |
| 311 | L | 62.6 | Low | 65.3 | Low | 101 Ų | 101 | 101.8 Ų | 101.8 | 53% | 0.529 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.2 | -38.2 | 174.3 | -148.2 | 85 | 0 | 0 | 0 | 111.7 | V307 A308 E309 A314 K315 | V307-L311 WeakPolarHBondContact O-CB 3.24Å; V307-L311 PolarHBondContact O-N 2.69Å; A308-L311 WeakPolarHBondContact O-CB 3.39Å; A308-L311 PolarHBondContact O-N 3.03Å; E309-L311 VanDerWaalsContact C-N 3.33Å; E309-L311 PolarHBondContact O-N 3.09Å; L311-A314 PolarHBondContact O-N 3.01Å; L311-K315 WeakPolarHBondContact O-CG 3.47Å; L311-K315 PolarHBondContact O-N 3.32Å |
| 312 | E | 71.3 | Confident | 64.9 | Low | 88 Ų | 88 | 102.6 Ų | 102.6 | 41% | 0.411 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -79.9 | -27.7 | -177.7 | -140.7 | 62.8 | -169.2 | 0 | 0 | 113 | A308 E309 G310 K315 K316 | A308-E312 PolarHBondContact O-N 2.84Å; A308-E312 VanDerWaalsContact O-N 3.14Å; E309-E312 PolarHBondContact O-N 3.42Å; E309-E312 VanDerWaalsContact O-N 3.13Å; G310-E312 VanDerWaalsContact C-N 3.3Å; G310-E312 PolarHBondContact O-N 2.91Å; E312-K315 IonicContact OE1-NZ 2.95Å; E312-K315 WeakPolarHBondContact OE2-CD 3.21Å; E312-K315 WeakPolarHBondContact OE2-CE 3.39Å; E312-K315 IonicContact OE2-NZ 2.63Å; E312-K315 PolarHBondContact OE2-NZ 3.49Å; E312-K316 WeakPolarHBondContact O-CG 3.45Å; E312-K316 PolarHBondContact O-N 2.69Å |
| 313 | I | 73.9 | Confident | 64.1 | Low | 85 Ų | 85 | 106 Ų | 106 | 44% | 0.436 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -63.3 | -50.9 | 164.7 | -66.9 | 167.3 | 0 | 0 | 0 | 109.4 | E309 G310 K315 K316 E317 | E309-I313 WeakPolarHBondContact O-CG1 3.45Å; E309-I313 PolarHBondContact O-N 2.68Å; G310-I313 PolarHBondContact O-N 3.05Å; I313-K315 VanDerWaalsContact C-N 3.32Å; I313-K315 PolarHBondContact O-N 3.12Å; I313-K316 WeakPolarHBondContact O-CA 3.22Å; I313-K316 WeakPolarHBondContact O-CB 3.29Å; I313-K316 PolarHBondContact O-N 3.46Å; I313-E317 HydrophobicContact CG2-CG 4.43Å; I313-E317 PolarHBondContact O-N 3.26Å |
| 314 | A | 62.4 | Low | 64.5 | Low | 47 Ų | 47 | 105 Ų | 105 | 39% | 0.388 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -58.4 | -40.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | G310 L311 K316 E317 V318 | G310-A314 WeakPolarHBondContact O-CB 3.14Å; G310-A314 PolarHBondContact O-N 2.77Å; L311-A314 PolarHBondContact O-N 3.01Å; A314-K316 VanDerWaalsContact C-N 3.35Å; A314-K316 PolarHBondContact O-N 2.89Å; A314-E317 PolarHBondContact O-N 3.3Å; A314-V318 WeakPolarHBondContact O-CG2 3.38Å; A314-V318 PolarHBondContact O-N 2.96Å |
| 315 | K | 69.2 | Low | 64.9 | Low | 111 Ų | 111 | 106.5 Ų | 106.5 | 48% | 0.483 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -61.4 | -38.9 | 173.1 | -73.3 | 178.9 | -158.5 | 156.8 | 0 | 112.8 | L311 E312 I313 K319 | L311-K315 WeakPolarHBondContact O-CG 3.47Å; L311-K315 PolarHBondContact O-N 3.32Å; E312-K315 IonicContact OE1-NZ 2.95Å; E312-K315 WeakPolarHBondContact OE2-CD 3.21Å; E312-K315 WeakPolarHBondContact OE2-CE 3.39Å; E312-K315 IonicContact OE2-NZ 2.63Å; E312-K315 PolarHBondContact OE2-NZ 3.49Å; I313-K315 VanDerWaalsContact C-N 3.32Å; I313-K315 PolarHBondContact O-N 3.12Å; K315-K319 WeakPolarHBondContact O-CB 3.35Å; K315-K319 PolarHBondContact O-N 3.21Å |
| 316 | K | 72.5 | Confident | 64.8 | Low | 134 Ų | 134 | 105.1 Ų | 105.1 | 58% | 0.583 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -67.8 | -41.3 | 176.3 | -73.7 | 168.6 | -176.4 | 167.3 | 0 | 111.7 | E312 I313 A314 K319 N320 | E312-K316 WeakPolarHBondContact O-CG 3.45Å; E312-K316 PolarHBondContact O-N 2.69Å; I313-K316 WeakPolarHBondContact O-CA 3.22Å; I313-K316 WeakPolarHBondContact O-CB 3.29Å; I313-K316 PolarHBondContact O-N 3.46Å; A314-K316 VanDerWaalsContact C-N 3.35Å; A314-K316 PolarHBondContact O-N 2.89Å; K316-K319 PolarHBondContact O-N 3.02Å; K316-N320 VanDerWaalsContact O-CG 3.23Å; K316-N320 PolarHBondContact O-N 3.22Å; K316-N320 PolarHBondContact O-ND2 3.27Å |
| 317 | E | 72.2 | Confident | 64.8 | Low | 118 Ų | 118 | 107.7 Ų | 107.7 | 55% | 0.551 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -64.6 | -45.9 | 177.4 | -69.3 | -175.6 | 159.7 | 0 | 0 | 111.8 | I313 A314 K319 N320 L321 | I313-E317 HydrophobicContact CG2-CG 4.43Å; I313-E317 PolarHBondContact O-N 3.26Å; A314-E317 PolarHBondContact O-N 3.3Å; E317-K319 VanDerWaalsContact C-N 3.29Å; E317-K319 PolarHBondContact O-N 3Å; E317-N320 PolarHBondContact O-N 3.23Å; E317-N320 VanDerWaalsContact O-N 3.07Å; E317-L321 WeakPolarHBondContact O-CG 3.16Å; E317-L321 PolarHBondContact O-N 2.8Å |
| 318 | V | 67.3 | Low | 65.1 | Low | 95 Ų | 95 | 108.1 Ų | 108.1 | 58% | 0.576 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -59.5 | -40.1 | 174 | 171.6 | 0 | 0 | 0 | 0 | 111.5 | A314 N320 L321 C322 | A314-V318 WeakPolarHBondContact O-CG2 3.38Å; A314-V318 PolarHBondContact O-N 2.96Å; V318-N320 VanDerWaalsContact C-N 3.32Å; V318-N320 PolarHBondContact O-N 3.2Å; V318-L321 PolarHBondContact O-N 2.86Å; V318-C322 PolarHBondContact O-N 2.77Å; V318-C322 VanDerWaalsContact O-N 3.09Å |
| 319 | K | 68.9 | Low | 65.5 | Low | 159 Ų | 159 | 111.5 Ų | 111.5 | 69% | 0.691 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -67.1 | -29 | 175.4 | -170.7 | 176 | -179 | -179.5 | 0 | 113.4 | K315 K316 E317 C322 | K315-K319 WeakPolarHBondContact O-CB 3.35Å; K315-K319 PolarHBondContact O-N 3.21Å; K316-K319 PolarHBondContact O-N 3.02Å; E317-K319 VanDerWaalsContact C-N 3.29Å; E317-K319 PolarHBondContact O-N 3Å; K319-C322 CarbonylContact O-C 3.51Å; K319-C322 VanDerWaalsContact O-O 3.13Å |
| 320 | N | 67.6 | Low | 65.1 | Low | 134 Ų | 134 | 109.5 Ų | 109.5 | 72% | 0.717 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -79.5 | -22.7 | 174.5 | -68.1 | -21.9 | 0 | 0 | 0 | 112.6 | K316 E317 V318 | K316-N320 VanDerWaalsContact O-CG 3.23Å; K316-N320 PolarHBondContact O-N 3.22Å; K316-N320 PolarHBondContact O-ND2 3.27Å; E317-N320 PolarHBondContact O-N 3.23Å; E317-N320 VanDerWaalsContact O-N 3.07Å; V318-N320 VanDerWaalsContact C-N 3.32Å; V318-N320 PolarHBondContact O-N 3.2Å |
| 321 | L | 58.6 | Low | 65 | Low | 141 Ų | 141 | 115.1 Ų | 115.1 | 74% | 0.738 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -85.6 | -19.5 | 176.4 | -71.8 | 168.9 | 0 | 0 | 0 | 113.2 | E317 V318 | E317-L321 WeakPolarHBondContact O-CG 3.16Å; E317-L321 PolarHBondContact O-N 2.8Å; V318-L321 PolarHBondContact O-N 2.86Å |
| 322 | C | 49.9 | Very low | 65.2 | Low | 94 Ų | 94 | 116.3 Ų | 116.3 | 64% | 0.635 | 62% | 0.62 | S | S | * | * | trans | -131.1 | 89.2 | 175.3 | -71.3 | 0 | 0 | 0 | 0 | 110.1 | V318 K319 | V318-C322 PolarHBondContact O-N 2.77Å; V318-C322 VanDerWaalsContact O-N 3.09Å; K319-C322 CarbonylContact O-C 3.51Å; K319-C322 VanDerWaalsContact O-O 3.13Å | ||
| 323 | P | 49 | Very low | 64.7 | Low | 189 Ų | 189 | 118.8 Ų | 118.8 | 100% | 1.227 | 64% | 0.639 | S | S | * | * | trans | -71.9 | 0 | -176.4 | 30.3 | -36.3 | 0 | 0 | 0 | 114.5 |
Retrieved 323 of 323 residues in 376 ms
(Link to these results)