| 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 | 61.1 | Low | 81.1 | Confident | 178 Ų | 178 | 67.5 Ų | 67.5 | 88% | 0.877 | 38% | 0.376 | S | S | * | . | 0 | -46.1 | 0 | -67.9 | -72 | -93.1 | 0 | 0 | 111.1 | L3 L4 E5 | M1-L3 VanDerWaalsContact C-N 3.28Å; M1-L3 PolarHBondContact O-N 3.04Å; M1-L4 WeakPolarHBondContact O-CB 3.21Å; M1-L4 PolarHBondContact O-N 3.17Å; M1-E5 PolarHBondContact O-N 2.97Å | |||
| 2 | A | 79.6 | Confident | 81.3 | Confident | 53 Ų | 53 | 72 Ų | 72 | 44% | 0.438 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -47.5 | -37.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | L4 E5 A6 M22 | A2-L4 PolarHBondContact O-N 3.05Å; A2-E5 PolarHBondContact O-N 3.33Å; A2-A6 WeakPolarHBondContact O-CB 3.35Å; A2-A6 PolarHBondContact O-N 3.22Å; A2-M22 VanDerWaalsContact C-SD 3.51Å; A2-M22 HydrophobicContact CB-CE 4.02Å; A2-M22 HydrophobicContact CB-SD 3.85Å |
| 3 | L | 81.4 | Confident | 81.2 | Confident | 18 Ų | 18 | 69.9 Ų | 69.9 | 9% | 0.094 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -64.8 | -37.8 | 176.3 | -176.7 | 67.2 | 0 | 0 | 0 | 112.7 | M1 V7 V18 M22 C30 H33 Y34 | M1-L3 VanDerWaalsContact C-N 3.28Å; M1-L3 PolarHBondContact O-N 3.04Å; L3-V7 WeakPolarHBondContact O-CB 3.38Å; L3-V7 WeakPolarHBondContact O-CG2 3Å; L3-V7 PolarHBondContact O-N 3.36Å; L3-V18 HydrophobicContact CD1-CG1 3.84Å; L3-M22 HydrophobicContact CB-CE 4.12Å; L3-M22 HydrophobicContact CB-SD 4.47Å; L3-M22 HydrophobicContact CD1-CG 4.31Å; L3-C30 HydrophobicContact CD1-CB 3.92Å; L3-H33 HydrophobicContact CD2-CB 4.5Å; L3-H33 VanDerWaalsContact CD2-ND1 3.35Å; L3-H33 WeakPolarHBondContact CD2-ND1 3.45Å; L3-Y34 HydrophobicContact CD2-CD2 4.47Å |
| 4 | L | 81 | Confident | 81.7 | Confident | 58 Ų | 58 | 69.3 Ų | 69.3 | 30% | 0.304 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -73.1 | -36.9 | 178.9 | -65.4 | -178.6 | 0 | 0 | 0 | 111.5 | M1 A2 V7 M8 Y34 F38 | M1-L4 WeakPolarHBondContact O-CB 3.21Å; M1-L4 PolarHBondContact O-N 3.17Å; A2-L4 PolarHBondContact O-N 3.05Å; L4-V7 PolarHBondContact O-N 3.44Å; L4-M8 WeakPolarHBondContact O-CB 3.26Å; L4-M8 PolarHBondContact O-N 3.49Å; L4-Y34 HydrophobicContact CD2-CD2 4.04Å; L4-Y34 HydrophobicContact CD2-CE2 3.49Å; L4-Y34 VanDerWaalsContact CD2-CE2 3.49Å; L4-F38 HydrophobicContact CD1-CD1 4.22Å; L4-F38 HydrophobicContact CD1-CE1 3.63Å; L4-F38 HydrophobicContact CD1-CZ 4.07Å; L4-F38 HydrophobicContact CD2-CD1 3.96Å; L4-F38 HydrophobicContact CD2-CD2 4.33Å; L4-F38 HydrophobicContact CD2-CE1 3.92Å; L4-F38 HydrophobicContact CD2-CE2 4.27Å; L4-F38 HydrophobicContact CD2-CG 4.16Å; L4-F38 HydrophobicContact CD2-CZ 4.06Å; L4-F38 HydrophobicContact CG-CE1 4.02Å; L4-F38 HydrophobicContact CG-CZ 4.04Å |
| 5 | E | 84.3 | Confident | 82 | Confident | 101 Ų | 101 | 66.2 Ų | 66.2 | 47% | 0.472 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63.1 | -47.1 | 174.1 | -71.1 | 164.3 | -168.9 | 0 | 0 | 110.5 | M1 A2 V7 M8 D9 | M1-E5 PolarHBondContact O-N 2.97Å; A2-E5 PolarHBondContact O-N 3.33Å; E5-V7 VanDerWaalsContact C-N 3.32Å; E5-V7 PolarHBondContact O-N 3.21Å; E5-M8 WeakPolarHBondContact O-CB 3.43Å; E5-M8 PolarHBondContact O-N 2.97Å; E5-M8 VanDerWaalsContact O-N 3.11Å; E5-D9 VanDerWaalsContact O-CG 3.32Å; E5-D9 PolarHBondContact O-N 2.94Å |
| 6 | A | 83.7 | Confident | 82.3 | Confident | 2 Ų | 2 | 67.8 Ų | 67.8 | 2% | 0.017 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -62.5 | -36.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113 | A2 C10 V18 Q21 M22 | A2-A6 WeakPolarHBondContact O-CB 3.35Å; A2-A6 PolarHBondContact O-N 3.22Å; A6-C10 VanDerWaalsContact O-CB 3.28Å; A6-C10 WeakPolarHBondContact O-CB 3.34Å; A6-C10 PolarHBondContact O-N 3.49Å; A6-V18 HydrophobicContact CB-CG1 4.04Å; A6-Q21 HydrophobicContact CB-CB 4.25Å; A6-Q21 HydrophobicContact CB-CG 4.12Å; A6-M22 HydrophobicContact CB-CG 4.17Å; A6-M22 HydrophobicContact CB-SD 4.21Å |
| 7 | V | 85.7 | Confident | 82.5 | Confident | 11 Ų | 11 | 67.9 Ų | 67.9 | 7% | 0.067 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -70 | -33.2 | 174.3 | 169.7 | 0 | 0 | 0 | 0 | 112 | L3 L4 E5 G11 F12 W15 V18 Y34 | L3-V7 WeakPolarHBondContact O-CB 3.38Å; L3-V7 WeakPolarHBondContact O-CG2 3Å; L3-V7 PolarHBondContact O-N 3.36Å; L4-V7 PolarHBondContact O-N 3.44Å; E5-V7 VanDerWaalsContact C-N 3.32Å; E5-V7 PolarHBondContact O-N 3.21Å; V7-G11 CarbonylContact O-C 3.48Å; V7-G11 WeakPolarHBondContact O-CA 3.47Å; V7-G11 PolarHBondContact O-N 2.91Å; V7-F12 HydrophobicContact CG1-CB 4.18Å; V7-F12 HydrophobicContact CG1-CD2 4.39Å; V7-W15 HydrophobicContact CG2-CH2 4.28Å; V7-W15 HydrophobicContact CG2-CZ3 3.69Å; V7-V18 HydrophobicContact CG2-CG1 3.92Å; V7-V18 HydrophobicContact CG2-CG2 4.02Å; V7-Y34 HydrophobicContact CB-CE2 4.39Å; V7-Y34 HydrophobicContact CG1-CE2 4.07Å; V7-Y34 HydrophobicContact CG2-CD2 4.11Å; V7-Y34 HydrophobicContact CG2-CE2 4.16Å |
| 8 | M | 85.3 | Confident | 82.6 | Confident | 145 Ų | 145 | 64.2 Ų | 64.2 | 71% | 0.714 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -69.3 | -41.4 | 175.5 | -175.5 | 178.6 | 65.7 | 0 | 0 | 111.4 | L4 E5 | L4-M8 WeakPolarHBondContact O-CB 3.26Å; L4-M8 PolarHBondContact O-N 3.49Å; E5-M8 WeakPolarHBondContact O-CB 3.43Å; E5-M8 PolarHBondContact O-N 2.97Å; E5-M8 VanDerWaalsContact O-N 3.11Å |
| 9 | D | 84.7 | Confident | 82.9 | Confident | 106 Ų | 106 | 61.2 Ų | 61.2 | 57% | 0.567 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -75.8 | -44.7 | -179.2 | -65.2 | -19.9 | 0 | 0 | 0 | 112.7 | E5 Q21 | E5-D9 VanDerWaalsContact O-CG 3.32Å; E5-D9 PolarHBondContact O-N 2.94Å; D9-Q21 PolarHBondContact OD2-NE2 2.96Å |
| 10 | C | 84.4 | Confident | 83 | Confident | 40 Ų | 40 | 62.9 Ų | 62.9 | 27% | 0.27 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -92.1 | -13.1 | -175.9 | -66.4 | 0 | 0 | 0 | 0 | 114.1 | A6 D17 V18 Q21 | A6-C10 VanDerWaalsContact O-CB 3.28Å; A6-C10 WeakPolarHBondContact O-CB 3.34Å; A6-C10 PolarHBondContact O-N 3.49Å; C10-D17 HydrophobicContact CB-CB 4.14Å; C10-V18 HydrophobicContact CB-CG2 3.83Å; C10-Q21 PolarHBondContact SG-OE1 2.89Å |
| 11 | G | 81.1 | Confident | 83 | Confident | 31 Ų | 31 | 64.2 Ų | 64.2 | 32% | 0.32 | 35% | 0.35 | S | S | . | . | trans | 86.8 | 142.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | V7 G13 N14 | V7-G11 CarbonylContact O-C 3.48Å; V7-G11 WeakPolarHBondContact O-CA 3.47Å; V7-G11 PolarHBondContact O-N 2.91Å; G11-G13 PolarHBondContact O-N 3.14Å; G11-N14 PolarHBondContact O-N 3.26Å | ||
| 12 | F | 83.5 | Confident | 83.8 | Confident | 121 Ų | 121 | 57.7 Ų | 57.7 | 53% | 0.531 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | 132.1 | 177.4 | 177.9 | -99.1 | 0 | 0 | 0 | 112 | V7 W15 Y34 M35 I39 | V7-F12 HydrophobicContact CG1-CB 4.18Å; V7-F12 HydrophobicContact CG1-CD2 4.39Å; F12-W15 AromaticContact CD2-CH2 3.92Å; F12-W15 HydrophobicContact CD2-CH2 3.92Å; F12-W15 AromaticContact CD2-CZ2 3.93Å; F12-W15 HydrophobicContact CD2-CZ2 3.93Å; F12-W15 AromaticContact CE2-CH2 3.92Å; F12-W15 HydrophobicContact CE2-CH2 3.92Å; F12-W15 AromaticContact CE2-CZ2 3.71Å; F12-W15 HydrophobicContact CE2-CZ2 3.71Å; F12-W15 HydrophobicContact CZ-CZ2 4.42Å; F12-Y34 HydrophobicContact CD2-CD1 4.38Å; F12-Y34 AromaticContact CD2-CE1 3.77Å; F12-Y34 HydrophobicContact CD2-CE1 3.77Å; F12-Y34 AromaticContact CE2-CD1 3.83Å; F12-Y34 HydrophobicContact CE2-CD1 3.83Å; F12-Y34 AromaticContact CE2-CE1 3.38Å; F12-Y34 HydrophobicContact CE2-CE1 3.38Å; F12-M35 HydrophobicContact CE2-CE 3.89Å; F12-M35 HydrophobicContact CZ-CE 3.61Å; F12-I39 HydrophobicContact CE2-CD1 4.2Å; F12-I39 HydrophobicContact CZ-CD1 4.1Å |
| 13 | G | 80.3 | Confident | 83.6 | Confident | 45 Ų | 45 | 60.6 Ų | 60.6 | 46% | 0.464 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.8 | -16.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | G11 W15 | G11-G13 PolarHBondContact O-N 3.14Å; G13-W15 VanDerWaalsContact C-N 3.26Å; G13-W15 PolarHBondContact O-N 2.94Å; G13-W15 VanDerWaalsContact O-N 3.1Å |
| 14 | N | 87.4 | Confident | 83.4 | Confident | 61 Ų | 61 | 64.6 Ų | 64.6 | 33% | 0.326 | 36% | 0.359 | S | S | . | . | trans | -87.8 | 59.1 | 175.2 | -165.7 | 5.6 | 0 | 0 | 0 | 112.1 | G11 Q16 D17 V18 | G11-N14 PolarHBondContact O-N 3.26Å; N14-Q16 PolarHBondContact O-N 3.49Å; N14-Q16 VanDerWaalsContact O-N 3.14Å; N14-D17 PolarHBondContact ND2-OD2 3.21Å; N14-D17 PolarHBondContact O-N 3.1Å; N14-D17 PolarHBondContact OD1-OD2 3.44Å; N14-V18 WeakPolarHBondContact O-CG2 3.38Å; N14-V18 PolarHBondContact O-N 3.35Å; N14-V18 VanDerWaalsContact O-N 3.13Å | ||
| 15 | W | 87.3 | Confident | 83.4 | Confident | 23 Ų | 23 | 67.6 Ų | 67.6 | 9% | 0.087 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -65 | -19.8 | -172.3 | -56.4 | 118.4 | 0 | 0 | 0 | 114.5 | V7 F12 G13 V18 A19 K27 E31 Y34 M35 | V7-W15 HydrophobicContact CG2-CH2 4.28Å; V7-W15 HydrophobicContact CG2-CZ3 3.69Å; F12-W15 AromaticContact CD2-CH2 3.92Å; F12-W15 HydrophobicContact CD2-CH2 3.92Å; F12-W15 AromaticContact CD2-CZ2 3.93Å; F12-W15 HydrophobicContact CD2-CZ2 3.93Å; F12-W15 AromaticContact CE2-CH2 3.92Å; F12-W15 HydrophobicContact CE2-CH2 3.92Å; F12-W15 AromaticContact CE2-CZ2 3.71Å; F12-W15 HydrophobicContact CE2-CZ2 3.71Å; F12-W15 HydrophobicContact CZ-CZ2 4.42Å; G13-W15 VanDerWaalsContact C-N 3.26Å; G13-W15 PolarHBondContact O-N 2.94Å; G13-W15 VanDerWaalsContact O-N 3.1Å; W15-V18 HydrophobicContact CE3-CB 4.46Å; W15-V18 HydrophobicContact CE3-CG1 4.37Å; W15-A19 VanDerWaalsContact O-CB 3.25Å; W15-A19 WeakPolarHBondContact O-CB 3.4Å; W15-A19 PolarHBondContact O-N 3.04Å; W15-K27 HydrophobicContact CB-CB 4.01Å; W15-K27 VanDerWaalsContact O-CB 3.31Å; W15-K27 WeakPolarHBondContact O-CB 3.14Å; W15-E31 HydrophobicContact CD2-CB 3.78Å; W15-E31 HydrophobicContact CD2-CG 4.17Å; W15-E31 HydrophobicContact CE3-CB 4.3Å; W15-E31 HydrophobicContact CG-CB 3.87Å; W15-E31 HydrophobicContact CG-CG 4.3Å; W15-E31 HydrophobicContact CZ2-CG 4.24Å; W15-E31 PolarHBondContact NE1-OE1 3.02Å; W15-Y34 AromaticContact CH2-CD1 3.72Å; W15-Y34 HydrophobicContact CH2-CD1 3.72Å; W15-Y34 HydrophobicContact CH2-CD2 4.18Å; W15-Y34 HydrophobicContact CH2-CE1 4.38Å; W15-Y34 AromaticContact CH2-CG 3.61Å; W15-Y34 HydrophobicContact CH2-CG 3.61Å; W15-Y34 HydrophobicContact CZ2-CD1 4.44Å; W15-Y34 HydrophobicContact CZ3-CD2 4.42Å; W15-Y34 HydrophobicContact CZ3-CG 4.1Å; W15-M35 HydrophobicContact CZ2-CE 3.92Å |
| 16 | Q | 86.6 | Confident | 83.6 | Confident | 91 Ų | 91 | 66.5 Ų | 66.5 | 43% | 0.425 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -67.5 | -48.9 | 176.5 | -169.5 | 68.2 | 53.3 | 0 | 0 | 110.5 | N14 A19 N20 | N14-Q16 PolarHBondContact O-N 3.49Å; N14-Q16 VanDerWaalsContact O-N 3.14Å; Q16-A19 PolarHBondContact O-N 3.36Å; Q16-N20 PolarHBondContact O-N 3.22Å; Q16-N20 PolarHBondContact O-ND2 3.32Å; Q16-N20 PolarHBondContact O-OD1 3.11Å |
| 17 | D | 85.3 | Confident | 83.8 | Confident | 71 Ų | 71 | 70.7 Ų | 70.7 | 38% | 0.38 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -75.3 | -34.8 | -179.8 | -66.8 | -26.5 | 0 | 0 | 0 | 111.8 | C10 N14 A19 N20 Q21 | C10-D17 HydrophobicContact CB-CB 4.14Å; N14-D17 PolarHBondContact ND2-OD2 3.21Å; N14-D17 PolarHBondContact O-N 3.1Å; N14-D17 PolarHBondContact OD1-OD2 3.44Å; D17-A19 VanDerWaalsContact C-N 3.32Å; D17-A19 PolarHBondContact O-N 2.79Å; D17-N20 WeakPolarHBondContact O-CB 3.48Å; D17-N20 PolarHBondContact O-N 2.91Å; D17-Q21 PolarHBondContact O-N 3.28Å |
| 18 | V | 84.9 | Confident | 83.9 | Confident | 0 Ų | 0 | 75.4 Ų | 75.4 | 0% | 0 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -59.3 | -42.8 | 171.3 | 174.3 | 0 | 0 | 0 | 0 | 111.2 | L3 A6 V7 C10 N14 W15 Q21 M22 | L3-V18 HydrophobicContact CD1-CG1 3.84Å; A6-V18 HydrophobicContact CB-CG1 4.04Å; V7-V18 HydrophobicContact CG2-CG1 3.92Å; V7-V18 HydrophobicContact CG2-CG2 4.02Å; C10-V18 HydrophobicContact CB-CG2 3.83Å; N14-V18 WeakPolarHBondContact O-CG2 3.38Å; N14-V18 PolarHBondContact O-N 3.35Å; N14-V18 VanDerWaalsContact O-N 3.13Å; W15-V18 HydrophobicContact CE3-CB 4.46Å; W15-V18 HydrophobicContact CE3-CG1 4.37Å; V18-Q21 PolarHBondContact O-N 2.88Å; V18-M22 WeakPolarHBondContact O-CB 3.26Å; V18-M22 WeakPolarHBondContact O-CG 3.36Å; V18-M22 PolarHBondContact O-N 3.39Å |
| 19 | A | 87 | Confident | 83.9 | Confident | 8 Ų | 8 | 73 Ų | 73 | 7% | 0.066 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -67.5 | -38.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | W15 Q16 D17 Q21 M22 C23 K27 | W15-A19 VanDerWaalsContact O-CB 3.25Å; W15-A19 WeakPolarHBondContact O-CB 3.4Å; W15-A19 PolarHBondContact O-N 3.04Å; Q16-A19 PolarHBondContact O-N 3.36Å; D17-A19 VanDerWaalsContact C-N 3.32Å; D17-A19 PolarHBondContact O-N 2.79Å; A19-Q21 VanDerWaalsContact C-N 3.32Å; A19-Q21 PolarHBondContact O-N 3.02Å; A19-M22 PolarHBondContact O-N 3.19Å; A19-C23 PolarHBondContact O-N 3.03Å; A19-K27 HydrophobicContact CB-CB 4.12Å |
| 20 | N | 85.4 | Confident | 83.9 | Confident | 95 Ų | 95 | 68.2 Ų | 68.2 | 51% | 0.508 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -60.4 | -42.7 | 175.1 | -67.4 | -22.7 | 0 | 0 | 0 | 111 | Q16 D17 C23 | Q16-N20 PolarHBondContact O-N 3.22Å; Q16-N20 PolarHBondContact O-ND2 3.32Å; Q16-N20 PolarHBondContact O-OD1 3.11Å; D17-N20 WeakPolarHBondContact O-CB 3.48Å; D17-N20 PolarHBondContact O-N 2.91Å; N20-C23 PolarHBondContact O-N 3.23Å; N20-C23 PolarHBondContact O-SG 3.46Å |
| 21 | Q | 82.8 | Confident | 84.1 | Confident | 90 Ų | 90 | 70 Ų | 70 | 42% | 0.421 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -69.3 | -34.1 | 176.9 | -172.3 | 171.8 | -2.2 | 0 | 0 | 112.4 | A6 D9 C10 D17 V18 A19 | A6-Q21 HydrophobicContact CB-CB 4.25Å; A6-Q21 HydrophobicContact CB-CG 4.12Å; D9-Q21 PolarHBondContact OD2-NE2 2.96Å; C10-Q21 PolarHBondContact SG-OE1 2.89Å; D17-Q21 PolarHBondContact O-N 3.28Å; V18-Q21 PolarHBondContact O-N 2.88Å; A19-Q21 VanDerWaalsContact C-N 3.32Å; A19-Q21 PolarHBondContact O-N 3.02Å |
| 22 | M | 78.8 | Confident | 84.4 | Confident | 42 Ų | 42 | 75.3 Ų | 75.3 | 21% | 0.207 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -76.3 | -20.7 | 178.2 | -70.6 | -66.5 | -69.2 | 0 | 0 | 113.6 | A2 L3 A6 V18 A19 T24 | A2-M22 VanDerWaalsContact C-SD 3.51Å; A2-M22 HydrophobicContact CB-CE 4.02Å; A2-M22 HydrophobicContact CB-SD 3.85Å; L3-M22 HydrophobicContact CB-CE 4.12Å; L3-M22 HydrophobicContact CB-SD 4.47Å; L3-M22 HydrophobicContact CD1-CG 4.31Å; A6-M22 HydrophobicContact CB-CG 4.17Å; A6-M22 HydrophobicContact CB-SD 4.21Å; V18-M22 WeakPolarHBondContact O-CB 3.26Å; V18-M22 WeakPolarHBondContact O-CG 3.36Å; V18-M22 PolarHBondContact O-N 3.39Å; A19-M22 PolarHBondContact O-N 3.19Å; M22-T24 WeakPolarHBondContact O-CB 3.41Å; M22-T24 WeakPolarHBondContact O-CG2 3.45Å; M22-T24 PolarHBondContact O-N 3.46Å; M22-T24 PolarHBondContact O-OG1 3.08Å |
| 23 | C | 74.8 | Confident | 84.5 | Confident | 114 Ų | 114 | 74 Ų | 74 | 77% | 0.77 | 38% | 0.384 | S | S | * | . | S | Bend | trans | 51.8 | -4.1 | 177.4 | -71.1 | 0 | 0 | 0 | 0 | 117.5 | A19 N20 | A19-C23 PolarHBondContact O-N 3.03Å; N20-C23 PolarHBondContact O-N 3.23Å; N20-C23 PolarHBondContact O-SG 3.46Å |
| 24 | T | 77.5 | Confident | 84.6 | Confident | 102 Ų | 102 | 73.8 Ų | 73.8 | 63% | 0.626 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -121 | -14 | -165.4 | 50.2 | 0 | 0 | 0 | 0 | 113 | M22 | M22-T24 WeakPolarHBondContact O-CB 3.41Å; M22-T24 WeakPolarHBondContact O-CG2 3.45Å; M22-T24 PolarHBondContact O-N 3.46Å; M22-T24 PolarHBondContact O-OG1 3.08Å |
| 25 | K | 80.3 | Confident | 84.5 | Confident | 120 Ų | 120 | 73.1 Ų | 73.1 | 52% | 0.522 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -142.2 | 152.3 | -173.1 | -62.3 | -63.9 | 167.7 | -165.3 | 0 | 110.9 | E29 | K25-E29 HydrophobicContact CB-CB 4.34Å; K25-E29 WeakPolarHBondContact CD-OE2 3.35Å |
| 26 | T | 88.9 | Confident | 84.3 | Confident | 78 Ų | 78 | 78.4 Ų | 78.4 | 48% | 0.479 | 39% | 0.389 | S | S | . | . | trans | -80.8 | 160.2 | 177.8 | 63.6 | 0 | 0 | 0 | 0 | 111.2 | E28 E29 C30 | T26-E28 PolarHBondContact O-N 3.04Å; T26-E29 PolarHBondContact N-OE2 3.3Å; T26-E29 WeakPolarHBondContact O-CB 3.41Å; T26-E29 PolarHBondContact O-N 3.47Å; T26-E29 VanDerWaalsContact OG1-CG 3.31Å; T26-E29 WeakPolarHBondContact OG1-CG 3.5Å; T26-E29 PolarHBondContact OG1-OE2 3.15Å; T26-C30 PolarHBondContact O-N 3.48Å | ||
| 27 | K | 87.3 | Confident | 83.7 | Confident | 90 Ų | 90 | 77.5 Ų | 77.5 | 39% | 0.391 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -53.5 | -39.5 | 179.9 | 72.9 | -170 | -175.4 | 178.5 | 0 | 113.5 | W15 A19 C30 E31 | W15-K27 HydrophobicContact CB-CB 4.01Å; W15-K27 VanDerWaalsContact O-CB 3.31Å; W15-K27 WeakPolarHBondContact O-CB 3.14Å; A19-K27 HydrophobicContact CB-CB 4.12Å; K27-C30 PolarHBondContact O-N 2.83Å; K27-E31 WeakPolarHBondContact O-CB 3.35Å; K27-E31 PolarHBondContact O-N 2.76Å |
| 28 | E | 87.7 | Confident | 83.2 | Confident | 111 Ų | 111 | 78.3 Ų | 78.3 | 52% | 0.519 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -71.3 | -33.3 | -178.6 | -64.5 | 172.9 | -162.1 | 0 | 0 | 111.8 | T26 K32 | T26-E28 PolarHBondContact O-N 3.04Å; E28-K32 VanDerWaalsContact O-CB 3.26Å; E28-K32 WeakPolarHBondContact O-CB 3.42Å; E28-K32 WeakPolarHBondContact O-CG 3.5Å; E28-K32 PolarHBondContact O-N 3Å |
| 29 | E | 85.6 | Confident | 82.9 | Confident | 95 Ų | 95 | 82.3 Ų | 82.3 | 44% | 0.444 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -72.3 | -42.4 | 175.3 | -69.7 | 172.2 | 156.6 | 0 | 0 | 111.2 | K25 T26 H33 | K25-E29 HydrophobicContact CB-CB 4.34Å; K25-E29 WeakPolarHBondContact CD-OE2 3.35Å; T26-E29 PolarHBondContact N-OE2 3.3Å; T26-E29 WeakPolarHBondContact O-CB 3.41Å; T26-E29 PolarHBondContact O-N 3.47Å; T26-E29 VanDerWaalsContact OG1-CG 3.31Å; T26-E29 WeakPolarHBondContact OG1-CG 3.5Å; T26-E29 PolarHBondContact OG1-OE2 3.15Å; E29-H33 WeakPolarHBondContact O-CB 3.16Å; E29-H33 PolarHBondContact O-N 3.24Å |
| 30 | C | 85.5 | Confident | 82.4 | Confident | 4 Ų | 4 | 87.9 Ų | 87.9 | 3% | 0.027 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -60.6 | -47.1 | 175 | -71.3 | 0 | 0 | 0 | 0 | 111.4 | L3 T26 K27 H33 Y34 | L3-C30 HydrophobicContact CD1-CB 3.92Å; T26-C30 PolarHBondContact O-N 3.48Å; K27-C30 PolarHBondContact O-N 2.83Å; C30-H33 PolarHBondContact O-N 3.07Å; C30-Y34 WeakPolarHBondContact O-CB 3.45Å; C30-Y34 PolarHBondContact O-N 2.96Å |
| 31 | E | 87.4 | Confident | 81.6 | Confident | 77 Ų | 77 | 88.3 Ų | 88.3 | 36% | 0.36 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -63.1 | -51.8 | 177.4 | 179.8 | 173.9 | -157.7 | 0 | 0 | 111.7 | W15 K27 H33 Y34 M35 | W15-E31 HydrophobicContact CD2-CB 3.78Å; W15-E31 HydrophobicContact CD2-CG 4.17Å; W15-E31 HydrophobicContact CE3-CB 4.3Å; W15-E31 HydrophobicContact CG-CB 3.87Å; W15-E31 HydrophobicContact CG-CG 4.3Å; W15-E31 HydrophobicContact CZ2-CG 4.24Å; W15-E31 PolarHBondContact NE1-OE1 3.02Å; K27-E31 WeakPolarHBondContact O-CB 3.35Å; K27-E31 PolarHBondContact O-N 2.76Å; E31-H33 VanDerWaalsContact C-N 3.29Å; E31-H33 PolarHBondContact O-N 3.11Å; E31-Y34 PolarHBondContact O-N 3.3Å; E31-M35 HydrophobicContact CG-CE 4.49Å; E31-M35 HydrophobicContact CG-CG 4.3Å; E31-M35 WeakPolarHBondContact O-CB 3.25Å; E31-M35 VanDerWaalsContact O-CG 3.28Å; E31-M35 WeakPolarHBondContact O-CG 3.32Å; E31-M35 PolarHBondContact O-N 2.87Å |
| 32 | K | 87.6 | Confident | 80.5 | Confident | 144 Ų | 144 | 86.2 Ų | 86.2 | 63% | 0.626 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -59.8 | -41.1 | 179.2 | -77.3 | 173.1 | -175.8 | 167.5 | 0 | 111.7 | E28 K36 | E28-K32 VanDerWaalsContact O-CB 3.26Å; E28-K32 WeakPolarHBondContact O-CB 3.42Å; E28-K32 WeakPolarHBondContact O-CG 3.5Å; E28-K32 PolarHBondContact O-N 3Å; K32-K36 WeakPolarHBondContact O-CB 3.49Å; K32-K36 PolarHBondContact O-N 2.83Å |
| 33 | H | 85.4 | Confident | 79.4 | Confident | 92 Ų | 92 | 90.3 Ų | 90.3 | 43% | 0.426 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -66 | -45.1 | 177.6 | -177.5 | -88.3 | 0 | 0 | 0 | 111.3 | L3 E29 C30 E31 K36 H37 | L3-H33 HydrophobicContact CD2-CB 4.5Å; L3-H33 VanDerWaalsContact CD2-ND1 3.35Å; L3-H33 WeakPolarHBondContact CD2-ND1 3.45Å; E29-H33 WeakPolarHBondContact O-CB 3.16Å; E29-H33 PolarHBondContact O-N 3.24Å; C30-H33 PolarHBondContact O-N 3.07Å; E31-H33 VanDerWaalsContact C-N 3.29Å; E31-H33 PolarHBondContact O-N 3.11Å; H33-K36 PolarHBondContact O-N 2.92Å; H33-H37 AromaticContact CD2-CD2 3.56Å; H33-H37 AromaticContact NE2-CD2 3.66Å; H33-H37 WeakPolarHBondContact O-CB 3.5Å; H33-H37 PolarHBondContact O-CD2 3.04Å; H33-H37 PolarHBondContact O-N 3.24Å |
| 34 | Y | 83.9 | Confident | 78.3 | Confident | 41 Ų | 41 | 91.4 Ų | 91.4 | 16% | 0.161 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -60 | -52.7 | 177.4 | -171.8 | -85 | 0 | 0 | 0 | 111.3 | L3 L4 V7 F12 W15 C30 E31 K36 H37 F38 I39 | L3-Y34 HydrophobicContact CD2-CD2 4.47Å; L4-Y34 HydrophobicContact CD2-CD2 4.04Å; L4-Y34 HydrophobicContact CD2-CE2 3.49Å; L4-Y34 VanDerWaalsContact CD2-CE2 3.49Å; V7-Y34 HydrophobicContact CB-CE2 4.39Å; V7-Y34 HydrophobicContact CG1-CE2 4.07Å; V7-Y34 HydrophobicContact CG2-CD2 4.11Å; V7-Y34 HydrophobicContact CG2-CE2 4.16Å; F12-Y34 HydrophobicContact CD2-CD1 4.38Å; F12-Y34 AromaticContact CD2-CE1 3.77Å; F12-Y34 HydrophobicContact CD2-CE1 3.77Å; F12-Y34 AromaticContact CE2-CD1 3.83Å; F12-Y34 HydrophobicContact CE2-CD1 3.83Å; F12-Y34 AromaticContact CE2-CE1 3.38Å; F12-Y34 HydrophobicContact CE2-CE1 3.38Å; W15-Y34 AromaticContact CH2-CD1 3.72Å; W15-Y34 HydrophobicContact CH2-CD1 3.72Å; W15-Y34 HydrophobicContact CH2-CD2 4.18Å; W15-Y34 HydrophobicContact CH2-CE1 4.38Å; W15-Y34 AromaticContact CH2-CG 3.61Å; W15-Y34 HydrophobicContact CH2-CG 3.61Å; W15-Y34 HydrophobicContact CZ2-CD1 4.44Å; W15-Y34 HydrophobicContact CZ3-CD2 4.42Å; W15-Y34 HydrophobicContact CZ3-CG 4.1Å; C30-Y34 WeakPolarHBondContact O-CB 3.45Å; C30-Y34 PolarHBondContact O-N 2.96Å; E31-Y34 PolarHBondContact O-N 3.3Å; Y34-K36 VanDerWaalsContact C-N 3.35Å; Y34-K36 PolarHBondContact O-N 3.04Å; Y34-H37 PolarHBondContact O-N 3.16Å; Y34-F38 HydrophobicContact CD2-CD2 4.23Å; Y34-F38 WeakPolarHBondContact O-CB 3.09Å; Y34-F38 PolarHBondContact O-N 3.06Å; Y34-I39 HydrophobicContact CD1-CD1 4.45Å; Y34-I39 HydrophobicContact CD1-CG1 4.2Å; Y34-I39 HydrophobicContact CE1-CD1 3.94Å; Y34-I39 HydrophobicContact CE1-CG1 3.84Å |
| 35 | M | 84.1 | Confident | 77.1 | Confident | 48 Ų | 48 | 87.8 Ų | 87.8 | 24% | 0.236 | 43% | 0.425 | C | S | . | . | I | π-helix | trans | -61.5 | -42.1 | -179.2 | -66.4 | -61.2 | 175.5 | 0 | 0 | 111.9 | F12 W15 E31 I39 N40 | F12-M35 HydrophobicContact CE2-CE 3.89Å; F12-M35 HydrophobicContact CZ-CE 3.61Å; W15-M35 HydrophobicContact CZ2-CE 3.92Å; E31-M35 HydrophobicContact CG-CE 4.49Å; E31-M35 HydrophobicContact CG-CG 4.3Å; E31-M35 WeakPolarHBondContact O-CB 3.25Å; E31-M35 VanDerWaalsContact O-CG 3.28Å; E31-M35 WeakPolarHBondContact O-CG 3.32Å; E31-M35 PolarHBondContact O-N 2.87Å; M35-I39 PolarHBondContact O-N 2.89Å; M35-I39 HydrophobicContact SD-CB 4.36Å; M35-I39 HydrophobicContact SD-CD1 3.84Å; M35-I39 HydrophobicContact SD-CG1 4.19Å; M35-N40 VanDerWaalsContact O-CB 3.28Å; M35-N40 WeakPolarHBondContact O-CB 3.12Å; M35-N40 VanDerWaalsContact O-CG 3.32Å; M35-N40 PolarHBondContact O-N 2.98Å; M35-N40 PolarHBondContact O-ND2 3.24Å |
| 36 | K | 82.8 | Confident | 75.8 | Confident | 134 Ų | 134 | 85.5 Ų | 85.5 | 58% | 0.583 | 43% | 0.425 | S | S | * | . | I | π-helix | trans | -69.4 | -45.2 | -178.3 | -175.2 | 179.4 | 177.6 | -175.5 | 0 | 112.9 | K32 H33 Y34 N41 | K32-K36 WeakPolarHBondContact O-CB 3.49Å; K32-K36 PolarHBondContact O-N 2.83Å; H33-K36 PolarHBondContact O-N 2.92Å; Y34-K36 VanDerWaalsContact C-N 3.35Å; Y34-K36 PolarHBondContact O-N 3.04Å; K36-N41 WeakPolarHBondContact O-CB 3.21Å; K36-N41 PolarHBondContact O-N 3.42Å; K36-N41 VanDerWaalsContact O-N 3.07Å |
| 37 | H | 75.4 | Confident | 74.1 | Confident | 71 Ų | 71 | 86.1 Ų | 86.1 | 33% | 0.329 | 43% | 0.428 | S | S | . | . | I | π-helix | trans | -96.2 | -20.9 | -169.5 | -72 | -81.5 | 0 | 0 | 0 | 114.6 | H33 Y34 | H33-H37 AromaticContact CD2-CD2 3.56Å; H33-H37 AromaticContact NE2-CD2 3.66Å; H33-H37 WeakPolarHBondContact O-CB 3.5Å; H33-H37 PolarHBondContact O-CD2 3.04Å; H33-H37 PolarHBondContact O-N 3.24Å; Y34-H37 PolarHBondContact O-N 3.16Å |
| 38 | F | 73.1 | Confident | 72.4 | Confident | 88 Ų | 88 | 86.2 Ų | 86.2 | 39% | 0.386 | 43% | 0.433 | S | S | . | . | I | π-helix | trans | -115.4 | -27.7 | -177.1 | -61.8 | -84.3 | 0 | 0 | 0 | 113.8 | L4 Y34 | L4-F38 HydrophobicContact CD1-CD1 4.22Å; L4-F38 HydrophobicContact CD1-CE1 3.63Å; L4-F38 HydrophobicContact CD1-CZ 4.07Å; L4-F38 HydrophobicContact CD2-CD1 3.96Å; L4-F38 HydrophobicContact CD2-CD2 4.33Å; L4-F38 HydrophobicContact CD2-CE1 3.92Å; L4-F38 HydrophobicContact CD2-CE2 4.27Å; L4-F38 HydrophobicContact CD2-CG 4.16Å; L4-F38 HydrophobicContact CD2-CZ 4.06Å; L4-F38 HydrophobicContact CG-CE1 4.02Å; L4-F38 HydrophobicContact CG-CZ 4.04Å; Y34-F38 HydrophobicContact CD2-CD2 4.23Å; Y34-F38 WeakPolarHBondContact O-CB 3.09Å; Y34-F38 PolarHBondContact O-N 3.06Å |
| 39 | I | 80.2 | Confident | 70.6 | Confident | 84 Ų | 84 | 85.1 Ų | 85.1 | 43% | 0.431 | 43% | 0.43 | S | S | . | . | I | π-helix | trans | -103.3 | -56.5 | 178.8 | -59.8 | -149.1 | 0 | 0 | 0 | 112.4 | F12 Y34 M35 | F12-I39 HydrophobicContact CE2-CD1 4.2Å; F12-I39 HydrophobicContact CZ-CD1 4.1Å; Y34-I39 HydrophobicContact CD1-CD1 4.45Å; Y34-I39 HydrophobicContact CD1-CG1 4.2Å; Y34-I39 HydrophobicContact CE1-CD1 3.94Å; Y34-I39 HydrophobicContact CE1-CG1 3.84Å; M35-I39 PolarHBondContact O-N 2.89Å; M35-I39 HydrophobicContact SD-CB 4.36Å; M35-I39 HydrophobicContact SD-CD1 3.84Å; M35-I39 HydrophobicContact SD-CG1 4.19Å |
| 40 | N | 76.3 | Confident | 68.8 | Low | 125 Ų | 125 | 85.5 Ų | 85.5 | 67% | 0.668 | 44% | 0.435 | S | S | * | . | I | π-helix | trans | -84.9 | -31.2 | -168 | -66.1 | -25.4 | 0 | 0 | 0 | 113.4 | M35 | M35-N40 VanDerWaalsContact O-CB 3.28Å; M35-N40 WeakPolarHBondContact O-CB 3.12Å; M35-N40 VanDerWaalsContact O-CG 3.32Å; M35-N40 PolarHBondContact O-N 2.98Å; M35-N40 PolarHBondContact O-ND2 3.24Å |
| 41 | N | 67.4 | Low | 67.1 | Low | 105 Ų | 105 | 90.4 Ų | 90.4 | 56% | 0.561 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -141 | 71.7 | 173.8 | -169.3 | 6.4 | 0 | 0 | 0 | 109.7 | K36 L43 | K36-N41 WeakPolarHBondContact O-CB 3.21Å; K36-N41 PolarHBondContact O-N 3.42Å; K36-N41 VanDerWaalsContact O-N 3.07Å; N41-L43 PolarHBondContact O-N 3.17Å |
| 42 | P | 61 | Low | 65.3 | Low | 46 Ų | 46 | 92.6 Ų | 92.6 | 30% | 0.299 | 47% | 0.468 | S | S | . | . | trans | -64.2 | 112.9 | 175.5 | 25.2 | -28.5 | 0 | 0 | 0 | 107.4 | F44 A45 | P42-F44 HydrophobicContact CB-CB 4.35Å; P42-F44 PolarHBondContact O-N 3.25Å; P42-A45 HydrophobicContact CG-CB 4.26Å; P42-A45 WeakPolarHBondContact O-CA 3.26Å; P42-A45 WeakPolarHBondContact O-CB 3.4Å; P42-A45 PolarHBondContact O-N 2.91Å | ||
| 43 | L | 55.1 | Low | 63.6 | Low | 128 Ų | 128 | 91.8 Ų | 91.8 | 67% | 0.67 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -15.6 | 168.2 | -73.6 | 166.1 | 0 | 0 | 0 | 111.5 | N41 A45 S46 | N41-L43 PolarHBondContact O-N 3.17Å; L43-A45 PolarHBondContact O-N 2.81Å; L43-S46 PolarHBondContact O-N 3.26Å; L43-S46 PolarHBondContact O-OG 3.09Å |
| 44 | F | 52.6 | Low | 61.9 | Low | 137 Ų | 137 | 90.7 Ų | 90.7 | 60% | 0.601 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -19.2 | 167.9 | -158.8 | -103.5 | 0 | 0 | 0 | 113.4 | P42 S46 T47 L48 | P42-F44 HydrophobicContact CB-CB 4.35Å; P42-F44 PolarHBondContact O-N 3.25Å; F44-S46 PolarHBondContact O-N 3.47Å; F44-T47 PolarHBondContact O-N 3.38Å; F44-L48 HydrophobicContact CD1-CD1 3.44Å; F44-L48 VanDerWaalsContact CD1-CD1 3.44Å; F44-L48 HydrophobicContact CD1-CD2 4.47Å; F44-L48 HydrophobicContact CD1-CG 3.61Å; F44-L48 HydrophobicContact CE1-CD1 3.56Å; F44-L48 HydrophobicContact CE1-CD2 3.88Å; F44-L48 HydrophobicContact CE1-CG 3.52Å; F44-L48 PolarHBondContact O-N 2.86Å; F44-L48 VanDerWaalsContact O-N 3.14Å |
| 45 | A | 52 | Low | 60.3 | Low | 26 Ų | 26 | 95.4 Ų | 95.4 | 22% | 0.215 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -62.6 | -24.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | P42 L43 T47 L49 | P42-A45 HydrophobicContact CG-CB 4.26Å; P42-A45 WeakPolarHBondContact O-CA 3.26Å; P42-A45 WeakPolarHBondContact O-CB 3.4Å; P42-A45 PolarHBondContact O-N 2.91Å; L43-A45 PolarHBondContact O-N 2.81Å; A45-T47 VanDerWaalsContact C-N 3.34Å; A45-T47 PolarHBondContact O-N 3.4Å; A45-L49 HydrophobicContact CB-CD1 3.75Å; A45-L49 HydrophobicContact CB-CG 4.32Å; A45-L49 VanDerWaalsContact O-CA 3.29Å; A45-L49 WeakPolarHBondContact O-CA 3.09Å; A45-L49 WeakPolarHBondContact O-CB 3.34Å; A45-L49 WeakPolarHBondContact O-CD1 3.35Å; A45-L49 WeakPolarHBondContact O-CG 3.37Å; A45-L49 PolarHBondContact O-N 3.12Å |
| 46 | S | 52.7 | Low | 58.7 | Low | 72 Ų | 72 | 100.5 Ų | 100.5 | 50% | 0.503 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -68.5 | -34.2 | 177.2 | 55.1 | 0 | 0 | 0 | 0 | 112.7 | L43 F44 N50 | L43-S46 PolarHBondContact O-N 3.26Å; L43-S46 PolarHBondContact O-OG 3.09Å; F44-S46 PolarHBondContact O-N 3.47Å; S46-N50 WeakPolarHBondContact O-CB 3.35Å; S46-N50 PolarHBondContact O-N 3.44Å; S46-N50 VanDerWaalsContact O-N 3.16Å; S46-N50 PolarHBondContact O-OD1 3.31Å |
| 47 | T | 52.5 | Low | 57.2 | Low | 91 Ų | 91 | 98 Ų | 98 | 56% | 0.558 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -80.3 | -36.2 | 177.5 | -37 | 0 | 0 | 0 | 0 | 111.4 | F44 A45 | F44-T47 PolarHBondContact O-N 3.38Å; A45-T47 VanDerWaalsContact C-N 3.34Å; A45-T47 PolarHBondContact O-N 3.4Å |
| 48 | L | 51.6 | Low | 56.4 | Low | 92 Ų | 92 | 102.5 Ų | 102.5 | 48% | 0.482 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -76.6 | -27.4 | 172.9 | -67.9 | -177.3 | 0 | 0 | 0 | 113.8 | F44 L51 K52 | F44-L48 HydrophobicContact CD1-CD1 3.44Å; F44-L48 VanDerWaalsContact CD1-CD1 3.44Å; F44-L48 HydrophobicContact CD1-CD2 4.47Å; F44-L48 HydrophobicContact CD1-CG 3.61Å; F44-L48 HydrophobicContact CE1-CD1 3.56Å; F44-L48 HydrophobicContact CE1-CD2 3.88Å; F44-L48 HydrophobicContact CE1-CG 3.52Å; F44-L48 PolarHBondContact O-N 2.86Å; F44-L48 VanDerWaalsContact O-N 3.14Å; L48-L51 HydrophobicContact CD2-CD1 4.12Å; L48-L51 WeakPolarHBondContact O-CB 3.5Å; L48-L51 PolarHBondContact O-N 2.81Å; L48-K52 PolarHBondContact O-N 3.42Å |
| 49 | L | 50.6 | Low | 55.4 | Low | 87 Ų | 87 | 104.5 Ų | 104.5 | 46% | 0.455 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -76.5 | -29.4 | 174 | -78.3 | 158.1 | 0 | 0 | 0 | 111.1 | A45 L51 K52 Q53 | A45-L49 HydrophobicContact CB-CD1 3.75Å; A45-L49 HydrophobicContact CB-CG 4.32Å; A45-L49 VanDerWaalsContact O-CA 3.29Å; A45-L49 WeakPolarHBondContact O-CA 3.09Å; A45-L49 WeakPolarHBondContact O-CB 3.34Å; A45-L49 WeakPolarHBondContact O-CD1 3.35Å; A45-L49 WeakPolarHBondContact O-CG 3.37Å; A45-L49 PolarHBondContact O-N 3.12Å; L49-L51 PolarHBondContact O-N 3.29Å; L49-K52 HydrophobicContact CD2-CD 4.42Å; L49-K52 CarbonylContact O-C 3.25Å; L49-K52 WeakPolarHBondContact O-CA 3.1Å; L49-K52 WeakPolarHBondContact O-CB 3.42Å; L49-K52 PolarHBondContact O-N 3.48Å; L49-K52 VanDerWaalsContact O-N 3.13Å; L49-Q53 WeakPolarHBondContact O-CG 3.3Å; L49-Q53 PolarHBondContact O-N 2.93Å |
| 50 | N | 48.2 | Very low | 54.1 | Low | 103 Ų | 103 | 105.1 Ų | 105.1 | 55% | 0.551 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -67.3 | -25.8 | 169.6 | -77.7 | -4.2 | 0 | 0 | 0 | 112.3 | S46 A54 | S46-N50 WeakPolarHBondContact O-CB 3.35Å; S46-N50 PolarHBondContact O-N 3.44Å; S46-N50 VanDerWaalsContact O-N 3.16Å; S46-N50 PolarHBondContact O-OD1 3.31Å; N50-A54 WeakPolarHBondContact O-CB 3.36Å; N50-A54 PolarHBondContact O-N 3.08Å; N50-A54 VanDerWaalsContact O-N 3.15Å |
| 51 | L | 50.3 | Low | 53.2 | Low | 107 Ų | 107 | 106.4 Ų | 106.4 | 56% | 0.56 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -68.8 | -41.9 | 166.8 | -82.3 | 159.3 | 0 | 0 | 0 | 111.1 | L48 L49 A54 E55 | L48-L51 HydrophobicContact CD2-CD1 4.12Å; L48-L51 WeakPolarHBondContact O-CB 3.5Å; L48-L51 PolarHBondContact O-N 2.81Å; L49-L51 PolarHBondContact O-N 3.29Å; L51-A54 PolarHBondContact O-N 2.82Å; L51-E55 PolarHBondContact O-N 3.01Å |
| 52 | K | 49.2 | Very low | 53 | Low | 123 Ų | 123 | 107 Ų | 107 | 54% | 0.535 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -63.1 | -41.5 | 174.6 | -110.4 | -172.5 | -179 | -170.8 | 0 | 113.6 | L48 L49 A54 E55 E56 | L48-K52 PolarHBondContact O-N 3.42Å; L49-K52 HydrophobicContact CD2-CD 4.42Å; L49-K52 CarbonylContact O-C 3.25Å; L49-K52 WeakPolarHBondContact O-CA 3.1Å; L49-K52 WeakPolarHBondContact O-CB 3.42Å; L49-K52 PolarHBondContact O-N 3.48Å; L49-K52 VanDerWaalsContact O-N 3.13Å; K52-A54 VanDerWaalsContact C-N 3.31Å; K52-A54 PolarHBondContact O-N 2.96Å; K52-E55 PolarHBondContact O-N 3.25Å; K52-E56 WeakPolarHBondContact O-CG 3.41Å; K52-E56 PolarHBondContact O-N 2.96Å |
| 53 | Q | 50.5 | Low | 53.1 | Low | 127 Ų | 127 | 108.9 Ų | 108.9 | 59% | 0.593 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -72.1 | -25.6 | 178.1 | -72.2 | -179.1 | -2.5 | 0 | 0 | 112.6 | L49 | L49-Q53 WeakPolarHBondContact O-CG 3.3Å; L49-Q53 PolarHBondContact O-N 2.93Å |
| 54 | A | 50.2 | Low | 53.6 | Low | 70 Ų | 70 | 110 Ų | 110 | 58% | 0.579 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -76 | -26.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | N50 L51 K52 | N50-A54 WeakPolarHBondContact O-CB 3.36Å; N50-A54 PolarHBondContact O-N 3.08Å; N50-A54 VanDerWaalsContact O-N 3.15Å; L51-A54 PolarHBondContact O-N 2.82Å; K52-A54 VanDerWaalsContact C-N 3.31Å; K52-A54 PolarHBondContact O-N 2.96Å |
| 55 | E | 51.2 | Low | 54.4 | Low | 139 Ų | 139 | 107.5 Ų | 107.5 | 65% | 0.65 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -79 | -35.2 | 173.4 | -81.1 | 175.7 | 156.7 | 0 | 0 | 113 | L51 K52 A57 K58 | L51-E55 PolarHBondContact O-N 3.01Å; K52-E55 PolarHBondContact O-N 3.25Å; E55-A57 PolarHBondContact O-N 3.37Å; E55-A57 VanDerWaalsContact O-N 3.1Å; E55-K58 PolarHBondContact O-N 3.13Å |
| 56 | E | 50.4 | Low | 55.3 | Low | 155 Ų | 155 | 114 Ų | 114 | 72% | 0.724 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.7 | -16.2 | -178.3 | -77.6 | 172.8 | -176.3 | 0 | 0 | 114 | K52 | K52-E56 WeakPolarHBondContact O-CG 3.41Å; K52-E56 PolarHBondContact O-N 2.96Å |
| 57 | A | 51.9 | Low | 56.2 | Low | 81 Ų | 81 | 116.8 Ų | 116.8 | 67% | 0.669 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.8 | -5.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | E55 | E55-A57 PolarHBondContact O-N 3.37Å; E55-A57 VanDerWaalsContact O-N 3.1Å |
| 58 | K | 57.8 | Low | 56.9 | Low | 167 Ų | 167 | 117.6 Ų | 117.6 | 73% | 0.726 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -141.7 | 107.5 | 179.2 | -69.1 | -175.9 | -176.9 | 173.6 | 0 | 112 | E55 | E55-K58 PolarHBondContact O-N 3.13Š|
| 59 | T | 51.1 | Low | 57.8 | Low | 130 Ų | 130 | 117 Ų | 117 | 80% | 0.798 | 66% | 0.655 | S | S | * | * | trans | 73.1 | 121.5 | 163.9 | 57.4 | 0 | 0 | 0 | 0 | 116.3 | D61 | T59-D61 PolarHBondContact O-N 2.86Š| ||
| 60 | A | 53.3 | Low | 58.8 | Low | 96 Ų | 96 | 120.3 Ų | 120.3 | 79% | 0.793 | 67% | 0.674 | S | S | * | * | trans | -55.1 | 103.7 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | T62 | A60-T62 PolarHBondContact O-N 3.21Š| ||
| 61 | D | 57 | Low | 60.2 | Low | 152 Ų | 152 | 121.3 Ų | 121.3 | 81% | 0.813 | 68% | 0.679 | S | S | * | * | trans | -82.5 | 64 | 173.1 | -147.8 | 21 | 0 | 0 | 0 | 108.4 | T59 A63 | T59-D61 PolarHBondContact O-N 2.86Å; D61-A63 PolarHBondContact O-N 3.07Å; D61-A63 VanDerWaalsContact O-N 3.11Å | ||
| 62 | T | 63.3 | Low | 61.7 | Low | 117 Ų | 117 | 118.5 Ų | 118.5 | 72% | 0.718 | 67% | 0.667 | S | S | * | * | trans | -60.7 | 114.5 | 156.9 | 24.2 | 0 | 0 | 0 | 0 | 105.7 | A60 I64 | A60-T62 PolarHBondContact O-N 3.21Å; T62-I64 PolarHBondContact O-N 3.29Å | ||
| 63 | A | 63.7 | Low | 63.4 | Low | 86 Ų | 86 | 115.1 Ų | 115.1 | 71% | 0.711 | 66% | 0.657 | S | S | * | * | trans | -41.6 | 114 | 172.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | D61 P65 | D61-A63 PolarHBondContact O-N 3.07Å; D61-A63 VanDerWaalsContact O-N 3.11Å; A63-P65 WeakPolarHBondContact O-CD 3.34Å | ||
| 64 | I | 66.4 | Low | 65 | Low | 152 Ų | 152 | 116.2 Ų | 116.2 | 78% | 0.779 | 66% | 0.656 | S | S | * | * | trans | -55.5 | 116 | -179.7 | -61.8 | 169.5 | 0 | 0 | 0 | 105.5 | T62 F66 | T62-I64 PolarHBondContact O-N 3.29Å; I64-F66 PolarHBondContact O-N 3.09Å | ||
| 65 | P | 69.1 | Low | 66.7 | Low | 84 Ų | 84 | 114.5 Ų | 114.5 | 55% | 0.545 | 64% | 0.639 | S | S | . | * | trans | -57.9 | 116.6 | -178.6 | -23.3 | 33.4 | 0 | 0 | 0 | 108 | A63 H67 | A63-P65 WeakPolarHBondContact O-CD 3.34Å; P65-H67 PolarHBondContact O-CD2 3.13Å; P65-H67 VanDerWaalsContact O-CD2 3.3Å; P65-H67 PolarHBondContact O-N 3.28Å; P65-H67 PolarHBondContact O-NE2 3.19Å | ||
| 66 | F | 70.9 | Confident | 68.3 | Low | 162 Ų | 162 | 113 Ų | 113 | 71% | 0.711 | 64% | 0.64 | S | S | * | * | trans | -68.8 | 108.3 | 174.4 | 175 | -99.5 | 0 | 0 | 0 | 107.6 | I64 | I64-F66 PolarHBondContact O-N 3.09Š| ||
| 67 | H | 72.1 | Confident | 69.8 | Low | 132 Ų | 132 | 114.9 Ų | 114.9 | 61% | 0.611 | 65% | 0.646 | S | S | * | * | trans | -91.8 | 118.3 | 169.3 | -54 | -59.7 | 0 | 0 | 0 | 107.2 | P65 T69 | P65-H67 PolarHBondContact O-CD2 3.13Å; P65-H67 VanDerWaalsContact O-CD2 3.3Å; P65-H67 PolarHBondContact O-N 3.28Å; P65-H67 PolarHBondContact O-NE2 3.19Å; H67-T69 PolarHBondContact O-N 2.84Å; H67-T69 PolarHBondContact O-OG1 3.47Å | ||
| 68 | S | 66.6 | Low | 71.3 | Confident | 107 Ų | 107 | 116.7 Ų | 116.7 | 75% | 0.748 | 64% | 0.644 | S | S | * | * | trans | -54.4 | 106.5 | 168.3 | -71.7 | 0 | 0 | 0 | 0 | 108 | ||||
| 69 | T | 70 | Confident | 72.9 | Confident | 79 Ų | 79 | 110.1 Ų | 110.1 | 49% | 0.485 | 62% | 0.619 | S | S | . | * | trans | -105.6 | 130.9 | 179.2 | -37.7 | 0 | 0 | 0 | 0 | 106.8 | H67 D71 R74 | H67-T69 PolarHBondContact O-N 2.84Å; H67-T69 PolarHBondContact O-OG1 3.47Å; T69-D71 WeakPolarHBondContact CB-O 3.27Å; T69-D71 HydrophobicContact CG2-CB 4.25Å; T69-D71 PolarHBondContact O-N 3.25Å; T69-R74 PolarHBondContact O-NH2 3.35Å | ||
| 70 | D | 72.6 | Confident | 74.6 | Confident | 158 Ų | 158 | 109.9 Ų | 109.9 | 85% | 0.845 | 61% | 0.612 | S | S | * | * | trans | -71.7 | -5.6 | 173.7 | -69.3 | -36.8 | 0 | 0 | 0 | 112.2 | P72 P73 | D70-P72 CarbonylContact O-C 3.58Å; D70-P72 VanDerWaalsContact O-C 3.25Å; D70-P73 WeakPolarHBondContact O-CA 3.38Å | ||
| 71 | D | 77.8 | Confident | 76.1 | Confident | 124 Ų | 124 | 109.4 Ų | 109.4 | 66% | 0.663 | 60% | 0.596 | S | S | * | * | trans | -109.5 | 124.9 | 171.4 | -167.8 | 28.8 | 0 | 0 | 0 | 109.7 | T69 | T69-D71 WeakPolarHBondContact CB-O 3.27Å; T69-D71 HydrophobicContact CG2-CB 4.25Å; T69-D71 PolarHBondContact O-N 3.25Å | ||
| 72 | P | 81.5 | Confident | 77.5 | Confident | 48 Ų | 48 | 103.6 Ų | 103.6 | 31% | 0.312 | 57% | 0.567 | S | S | . | * | S | Bend | cis | -71.2 | 148.8 | -4 | 32.5 | -36.2 | 0 | 0 | 0 | 112.2 | D70 R74 P90 A91 | D70-P72 CarbonylContact O-C 3.58Å; D70-P72 VanDerWaalsContact O-C 3.25Å; P72-R74 PolarHBondContact O-N 2.99Å; P72-P90 HydrophobicContact CB-CB 3.69Å; P72-P90 HydrophobicContact CG-CB 4.49Å; P72-A91 HydrophobicContact CG-CB 4.15Å |
| 73 | P | 83.8 | Confident | 78.6 | Confident | 51 Ų | 51 | 106.4 Ų | 106.4 | 33% | 0.331 | 57% | 0.565 | S | S | . | * | trans | -56.1 | 136.9 | -175.3 | 19.4 | -30.2 | 0 | 0 | 0 | 111.3 | D70 P75 P90 | D70-P73 WeakPolarHBondContact O-CA 3.38Å; P73-P75 VanDerWaalsContact O-CD 3.29Å; P73-P75 WeakPolarHBondContact O-CD 3.26Å; P73-P90 HydrophobicContact CG-CB 4.13Å; P73-P90 HydrophobicContact CG-CG 4.06Å; P73-P90 VanDerWaalsContact O-CB 3.28Å; P73-P90 WeakPolarHBondContact O-CB 3.35Å; P73-P90 WeakPolarHBondContact O-CD 3.4Å; P73-P90 WeakPolarHBondContact O-CG 3.49Å | ||
| 74 | R | 85.4 | Confident | 79.7 | Confident | 151 Ų | 151 | 105.8 Ų | 105.8 | 57% | 0.57 | 55% | 0.549 | S | S | * | . | trans | -112.8 | 82.4 | 170.9 | -95.9 | 172.5 | -85.1 | -103.2 | -7.6 | 108.9 | T69 P72 T76 | T69-R74 PolarHBondContact O-NH2 3.35Å; P72-R74 PolarHBondContact O-N 2.99Å; R74-T76 PolarHBondContact O-N 3.29Å | ||
| 75 | P | 85 | Confident | 80.7 | Confident | 34 Ų | 34 | 99.5 Ų | 99.5 | 22% | 0.221 | 52% | 0.517 | C | S | . | . | P | Polyproline II helix | trans | -57.6 | 139.8 | 175 | -16.9 | 28.4 | 0 | 0 | 0 | 109.7 | P73 L81 M85 | P73-P75 VanDerWaalsContact O-CD 3.29Å; P73-P75 WeakPolarHBondContact O-CD 3.26Å; P75-L81 HydrophobicContact CB-CB 4.29Å; P75-L81 HydrophobicContact CB-CD2 4.19Å; P75-L81 HydrophobicContact CB-CG 4.2Å; P75-L81 HydrophobicContact CG-CD2 3.9Å; P75-L81 HydrophobicContact CG-CG 3.95Å; P75-M85 HydrophobicContact CG-SD 3.69Å |
| 76 | T | 84.8 | Confident | 81.6 | Confident | 107 Ų | 107 | 99.4 Ų | 99.4 | 66% | 0.656 | 52% | 0.523 | S | S | * | . | P | Polyproline II helix | trans | -63.3 | 147.5 | 167.9 | 45 | 0 | 0 | 0 | 0 | 109.7 | R74 D78 S79 | R74-T76 PolarHBondContact O-N 3.29Å; T76-D78 PolarHBondContact O-N 3.07Å; T76-S79 VanDerWaalsContact O-CB 3.25Å; T76-S79 WeakPolarHBondContact O-CB 3.46Å; T76-S79 PolarHBondContact O-N 3.39Å; T76-S79 VanDerWaalsContact O-N 3.11Å; T76-S79 PolarHBondContact O-OG 3.16Å; T76-S79 WeakPolarHBondContact OG1-CB 3.4Å |
| 77 | F | 81.5 | Confident | 82.5 | Confident | 194 Ų | 194 | 92.5 Ų | 92.5 | 85% | 0.851 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | 136.1 | 178.2 | -172.7 | -94.4 | 0 | 0 | 0 | 110.4 | S79 | F77-S79 PolarHBondContact O-N 2.94Å; F77-S79 VanDerWaalsContact O-N 3.11Å |
| 78 | D | 84.6 | Confident | 83.4 | Confident | 120 Ų | 120 | 88.1 Ų | 88.1 | 64% | 0.642 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.1 | 12.6 | -178.1 | -156.2 | 27.8 | 0 | 0 | 0 | 116 | T76 | T76-D78 PolarHBondContact O-N 3.07Š|
| 79 | S | 89.8 | Confident | 84.5 | Confident | 28 Ų | 28 | 86.5 Ų | 86.5 | 20% | 0.196 | 46% | 0.458 | C | S | . | . | trans | -65.7 | 156.3 | 168.9 | 64 | 0 | 0 | 0 | 0 | 111.8 | T76 F77 L81 S82 R83 | T76-S79 VanDerWaalsContact O-CB 3.25Å; T76-S79 WeakPolarHBondContact O-CB 3.46Å; T76-S79 PolarHBondContact O-N 3.39Å; T76-S79 VanDerWaalsContact O-N 3.11Å; T76-S79 PolarHBondContact O-OG 3.16Å; T76-S79 WeakPolarHBondContact OG1-CB 3.4Å; F77-S79 PolarHBondContact O-N 2.94Å; F77-S79 VanDerWaalsContact O-N 3.11Å; S79-L81 PolarHBondContact O-N 3.28Å; S79-S82 WeakPolarHBondContact O-CB 3.48Å; S79-S82 PolarHBondContact O-N 3.13Å; S79-S82 WeakPolarHBondContact OG-CB 3.16Å; S79-S82 PolarHBondContact OG-N 3.36Å; S79-S82 VanDerWaalsContact OG-N 3.15Å; S79-R83 PolarHBondContact O-N 3.45Å | ||
| 80 | L | 87.1 | Confident | 85.4 | Confident | 126 Ų | 126 | 83.6 Ų | 83.6 | 66% | 0.66 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -52.1 | -42.1 | 173.3 | -70.9 | 173.3 | 0 | 0 | 0 | 111.8 | R83 D84 | L80-R83 PolarHBondContact O-N 3.44Å; L80-D84 WeakPolarHBondContact O-CB 3.22Å; L80-D84 VanDerWaalsContact O-CG 3.26Å; L80-D84 PolarHBondContact O-N 3.42Å |
| 81 | L | 85.2 | Confident | 86 | Confident | 86 Ų | 86 | 78.9 Ų | 78.9 | 45% | 0.45 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -64.2 | -43 | 177 | -176.4 | 64 | 0 | 0 | 0 | 111.8 | P75 S79 R83 D84 M85 | P75-L81 HydrophobicContact CB-CB 4.29Å; P75-L81 HydrophobicContact CB-CD2 4.19Å; P75-L81 HydrophobicContact CB-CG 4.2Å; P75-L81 HydrophobicContact CG-CD2 3.9Å; P75-L81 HydrophobicContact CG-CG 3.95Å; S79-L81 PolarHBondContact O-N 3.28Å; L81-R83 VanDerWaalsContact C-N 3.26Å; L81-R83 PolarHBondContact O-N 3.45Å; L81-D84 PolarHBondContact O-N 3.26Å; L81-M85 HydrophobicContact CD1-CG 4.44Å; L81-M85 HydrophobicContact CD1-SD 4.3Å; L81-M85 HydrophobicContact CG-SD 4.12Å; L81-M85 WeakPolarHBondContact O-CB 3.04Å; L81-M85 WeakPolarHBondContact O-CG 2.91Å; L81-M85 PolarHBondContact O-N 3.28Å |
| 82 | S | 86.4 | Confident | 86.5 | Confident | 30 Ų | 30 | 79.1 Ų | 79.1 | 21% | 0.21 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -59.2 | -39.8 | 175.1 | -174 | 0 | 0 | 0 | 0 | 112 | S79 M85 | S79-S82 WeakPolarHBondContact O-CB 3.48Å; S79-S82 PolarHBondContact O-N 3.13Å; S79-S82 WeakPolarHBondContact OG-CB 3.16Å; S79-S82 PolarHBondContact OG-N 3.36Å; S79-S82 VanDerWaalsContact OG-N 3.15Å; S82-M85 PolarHBondContact O-N 2.65Å |
| 83 | R | 86.6 | Confident | 86.8 | Confident | 175 Ų | 175 | 79.9 Ų | 79.9 | 66% | 0.66 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -71 | -42 | -179.9 | -131.4 | 170.3 | 62.6 | 167.4 | 1.7 | 111.8 | S79 L80 L81 M85 A86 | S79-R83 PolarHBondContact O-N 3.45Å; L80-R83 PolarHBondContact O-N 3.44Å; L81-R83 VanDerWaalsContact C-N 3.26Å; L81-R83 PolarHBondContact O-N 3.45Å; R83-M85 PolarHBondContact O-N 3.3Å; R83-A86 PolarHBondContact O-N 3.45Å; R83-A86 VanDerWaalsContact O-N 3.09Å |
| 84 | D | 87.1 | Confident | 87.2 | Confident | 73 Ų | 73 | 79.1 Ų | 79.1 | 39% | 0.39 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -63.6 | -29.8 | 175.6 | -73.5 | -8.2 | 0 | 0 | 0 | 112.2 | L80 L81 A86 | L80-D84 WeakPolarHBondContact O-CB 3.22Å; L80-D84 VanDerWaalsContact O-CG 3.26Å; L80-D84 PolarHBondContact O-N 3.42Å; L81-D84 PolarHBondContact O-N 3.26Å; D84-A86 PolarHBondContact O-N 3.41Å |
| 85 | M | 87.5 | Confident | 87.5 | Confident | 21 Ų | 21 | 73.6 Ų | 73.6 | 10% | 0.103 | 40% | 0.399 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -0.6 | 176.4 | -67.9 | -177.8 | 102.6 | 0 | 0 | 113.6 | P75 L81 S82 R83 G87 Y88 P90 I151 | P75-M85 HydrophobicContact CG-SD 3.69Å; L81-M85 HydrophobicContact CD1-CG 4.44Å; L81-M85 HydrophobicContact CD1-SD 4.3Å; L81-M85 HydrophobicContact CG-SD 4.12Å; L81-M85 WeakPolarHBondContact O-CB 3.04Å; L81-M85 WeakPolarHBondContact O-CG 2.91Å; L81-M85 PolarHBondContact O-N 3.28Å; S82-M85 PolarHBondContact O-N 2.65Å; R83-M85 PolarHBondContact O-N 3.3Å; M85-G87 PolarHBondContact O-N 3.38Å; M85-G87 VanDerWaalsContact O-N 3.14Å; M85-Y88 HydrophobicContact CE-CD1 4Å; M85-Y88 WeakPolarHBondContact O-CB 3.46Å; M85-Y88 PolarHBondContact O-N 2.83Å; M85-P90 HydrophobicContact CE-CG 3.4Å; M85-P90 HydrophobicContact SD-CG 4.07Å; M85-I151 HydrophobicContact CE-CG2 3.72Å; M85-I151 HydrophobicContact CG-CG2 4.43Å |
| 86 | A | 88.3 | Confident | 87.7 | Confident | 81 Ų | 81 | 77 Ų | 77 | 67% | 0.669 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.6 | 40.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | R83 D84 Y88 | R83-A86 PolarHBondContact O-N 3.45Å; R83-A86 VanDerWaalsContact O-N 3.09Å; D84-A86 PolarHBondContact O-N 3.41Å; A86-Y88 VanDerWaalsContact C-N 3.33Å; A86-Y88 PolarHBondContact O-N 3.43Å |
| 87 | G | 89.2 | Confident | 88 | Confident | 18 Ų | 18 | 78.5 Ų | 78.5 | 19% | 0.186 | 41% | 0.413 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.7 | 8.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | M85 M89 F95 I96 | M85-G87 PolarHBondContact O-N 3.38Å; M85-G87 VanDerWaalsContact O-N 3.14Å; G87-M89 PolarHBondContact O-N 3.4Å; G87-F95 CarbonylContact O-C 3.33Å; G87-I96 WeakPolarHBondContact O-CG1 3.29Å; G87-I96 PolarHBondContact O-N 3.3Å |
| 88 | Y | 91.2 | Very high | 88.5 | Confident | 40 Ų | 40 | 70.7 Ų | 70.7 | 16% | 0.157 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 129.5 | 168.3 | -175.6 | -101.2 | 0 | 0 | 0 | 110.8 | M85 A86 P90 A93 D94 F95 I151 | M85-Y88 HydrophobicContact CE-CD1 4Å; M85-Y88 WeakPolarHBondContact O-CB 3.46Å; M85-Y88 PolarHBondContact O-N 2.83Å; A86-Y88 VanDerWaalsContact C-N 3.33Å; A86-Y88 PolarHBondContact O-N 3.43Å; Y88-P90 HydrophobicContact CD1-CG 3.97Å; Y88-P90 HydrophobicContact CE1-CB 4.15Å; Y88-P90 HydrophobicContact CE1-CG 4.11Å; Y88-P90 WeakPolarHBondContact O-CD 3.47Å; Y88-A93 WeakPolarHBondContact OH-CA 3.35Å; Y88-D94 CarbonylContact C-O 3.58Å; Y88-F95 HydrophobicContact CD2-CD1 4.29Å; Y88-F95 HydrophobicContact CD2-CD2 4.07Å; Y88-F95 AromaticContact CD2-CE1 3.96Å; Y88-F95 HydrophobicContact CD2-CE1 3.96Å; Y88-F95 AromaticContact CD2-CE2 3.71Å; Y88-F95 HydrophobicContact CD2-CE2 3.71Å; Y88-F95 HydrophobicContact CD2-CG 4.35Å; Y88-F95 AromaticContact CD2-CZ 3.64Å; Y88-F95 HydrophobicContact CD2-CZ 3.64Å; Y88-F95 HydrophobicContact CE2-CE2 4.31Å; Y88-F95 HydrophobicContact CG-CE1 4.28Å; Y88-F95 HydrophobicContact CG-CZ 4.31Å; Y88-I151 HydrophobicContact CD1-CD1 4.04Å; Y88-I151 HydrophobicContact CD1-CG1 4.36Å; Y88-I151 HydrophobicContact CD1-CG2 3.59Å; Y88-I151 HydrophobicContact CD2-CD1 4.03Å; Y88-I151 HydrophobicContact CD2-CG1 4.34Å; Y88-I151 HydrophobicContact CE1-CD1 3.66Å; Y88-I151 HydrophobicContact CE1-CG1 4.45Å; Y88-I151 HydrophobicContact CE1-CG2 4.1Å; Y88-I151 HydrophobicContact CE2-CD1 3.66Å; Y88-I151 HydrophobicContact CE2-CG1 4.45Å; Y88-I151 HydrophobicContact CG-CD1 4.19Å; Y88-I151 HydrophobicContact CG-CG1 4.26Å; Y88-I151 HydrophobicContact CG-CG2 3.97Å; Y88-I151 VanDerWaalsContact CZ-CD1 3.44Å |
| 89 | M | 89.8 | Confident | 88.9 | Confident | 72 Ų | 72 | 68.7 Ų | 68.7 | 36% | 0.355 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 101.5 | 177.9 | -64.8 | -176.2 | 68.5 | 0 | 0 | 109.6 | G87 A91 R92 A93 D94 I96 | G87-M89 PolarHBondContact O-N 3.4Å; M89-A91 VanDerWaalsContact C-N 3.33Å; M89-A91 PolarHBondContact O-N 3.46Å; M89-R92 HydrophobicContact CB-CB 4.3Å; M89-R92 PolarHBondContact O-N 2.93Å; M89-R92 VanDerWaalsContact O-N 3.1Å; M89-R92 PolarHBondContact SD-NH1 3.34Å; M89-R92 PolarHBondContact SD-NH2 3.22Å; M89-R92 VanDerWaalsContact SD-NH2 3.35Å; M89-A93 PolarHBondContact O-N 2.96Å; M89-D94 WeakPolarHBondContact CB-O 3.31Å; M89-D94 PolarHBondContact N-O 2.92Å; M89-D94 PolarHBondContact O-N 3.33Å; M89-I96 HydrophobicContact CG-CD1 4.34Å; M89-I96 HydrophobicContact CG-CG1 3.83Å; M89-I96 HydrophobicContact SD-CD1 4.43Å; M89-I96 HydrophobicContact SD-CG1 3.65Å |
| 90 | P | 88.4 | Confident | 89.1 | Confident | 19 Ų | 19 | 69.8 Ų | 69.8 | 12% | 0.123 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -35.5 | -170.5 | -27.7 | 39.9 | 0 | 0 | 0 | 114.1 | P72 P73 M85 Y88 R92 A93 | P72-P90 HydrophobicContact CB-CB 3.69Å; P72-P90 HydrophobicContact CG-CB 4.49Å; P73-P90 HydrophobicContact CG-CB 4.13Å; P73-P90 HydrophobicContact CG-CG 4.06Å; P73-P90 VanDerWaalsContact O-CB 3.28Å; P73-P90 WeakPolarHBondContact O-CB 3.35Å; P73-P90 WeakPolarHBondContact O-CD 3.4Å; P73-P90 WeakPolarHBondContact O-CG 3.49Å; M85-P90 HydrophobicContact CE-CG 3.4Å; M85-P90 HydrophobicContact SD-CG 4.07Å; Y88-P90 HydrophobicContact CD1-CG 3.97Å; Y88-P90 HydrophobicContact CE1-CB 4.15Å; Y88-P90 HydrophobicContact CE1-CG 4.11Å; Y88-P90 WeakPolarHBondContact O-CD 3.47Å; P90-R92 VanDerWaalsContact C-N 3.3Å; P90-R92 PolarHBondContact O-N 2.92Å; P90-A93 PolarHBondContact O-N 3.38Å |
| 91 | A | 85.8 | Confident | 89.5 | Confident | 58 Ų | 58 | 66.6 Ų | 66.6 | 48% | 0.479 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -25.1 | 178 | 0 | 0 | 0 | 0 | 0 | 114.3 | P72 M89 | P72-A91 HydrophobicContact CG-CB 4.15Å; M89-A91 VanDerWaalsContact C-N 3.33Å; M89-A91 PolarHBondContact O-N 3.46Å |
| 92 | R | 88.3 | Confident | 90 | Very high | 129 Ų | 129 | 68.4 Ų | 68.4 | 49% | 0.487 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | -12.6 | 175.6 | -165.3 | 169 | 71.2 | -136.8 | -3.9 | 112.3 | M89 P90 D94 F95 | M89-R92 HydrophobicContact CB-CB 4.3Å; M89-R92 PolarHBondContact O-N 2.93Å; M89-R92 VanDerWaalsContact O-N 3.1Å; M89-R92 PolarHBondContact SD-NH1 3.34Å; M89-R92 PolarHBondContact SD-NH2 3.22Å; M89-R92 VanDerWaalsContact SD-NH2 3.35Å; P90-R92 VanDerWaalsContact C-N 3.3Å; P90-R92 PolarHBondContact O-N 2.92Å; R92-D94 VanDerWaalsContact C-N 3.28Å; R92-D94 HydrophobicContact CB-CB 3.91Å; R92-D94 HydrophobicContact CG-CB 3.68Å; R92-D94 IonicContact CZ-OD2 2.64Å; R92-D94 IonicContact NE-OD2 3.87Å; R92-D94 PolarHBondContact NE-OD2 3.35Å; R92-D94 IonicContact NH2-OD2 3.89Å; R92-F95 PolarHBondContact NH2-O 3.3Å |
| 93 | A | 87.6 | Confident | 90.4 | Very high | 64 Ų | 64 | 67 Ų | 67 | 53% | 0.529 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.6 | 42.9 | -168.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y88 M89 P90 | Y88-A93 WeakPolarHBondContact OH-CA 3.35Å; M89-A93 PolarHBondContact O-N 2.96Å; P90-A93 PolarHBondContact O-N 3.38Å |
| 94 | D | 90.7 | Very high | 90.7 | Very high | 36 Ų | 36 | 62 Ų | 62 | 19% | 0.193 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 163 | -163.1 | -160 | 30.7 | 0 | 0 | 0 | 113.3 | Y88 M89 R92 K142 | Y88-D94 CarbonylContact C-O 3.58Å; M89-D94 WeakPolarHBondContact CB-O 3.31Å; M89-D94 PolarHBondContact N-O 2.92Å; M89-D94 PolarHBondContact O-N 3.33Å; R92-D94 VanDerWaalsContact C-N 3.28Å; R92-D94 HydrophobicContact CB-CB 3.91Å; R92-D94 HydrophobicContact CG-CB 3.68Å; R92-D94 IonicContact CZ-OD2 2.64Å; R92-D94 IonicContact NE-OD2 3.87Å; R92-D94 PolarHBondContact NE-OD2 3.35Å; R92-D94 IonicContact NH2-OD2 3.89Å; D94-K142 IonicContact OD1-NZ 3.63Å; D94-K142 PolarHBondContact OD1-NZ 2.97Å |
| 95 | F | 91.8 | Very high | 91.1 | Very high | 35 Ų | 35 | 67 Ų | 67 | 15% | 0.154 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 154.8 | 179.6 | -68.2 | -92.9 | 0 | 0 | 0 | 111.8 | G87 Y88 R92 E97 K142 I145 | G87-F95 CarbonylContact O-C 3.33Å; Y88-F95 HydrophobicContact CD2-CD1 4.29Å; Y88-F95 HydrophobicContact CD2-CD2 4.07Å; Y88-F95 AromaticContact CD2-CE1 3.96Å; Y88-F95 HydrophobicContact CD2-CE1 3.96Å; Y88-F95 AromaticContact CD2-CE2 3.71Å; Y88-F95 HydrophobicContact CD2-CE2 3.71Å; Y88-F95 HydrophobicContact CD2-CG 4.35Å; Y88-F95 AromaticContact CD2-CZ 3.64Å; Y88-F95 HydrophobicContact CD2-CZ 3.64Å; Y88-F95 HydrophobicContact CE2-CE2 4.31Å; Y88-F95 HydrophobicContact CG-CE1 4.28Å; Y88-F95 HydrophobicContact CG-CZ 4.31Å; R92-F95 PolarHBondContact NH2-O 3.3Å; F95-E97 WeakPolarHBondContact CB-O 3.38Å; F95-K142 HydrophobicContact CE2-CG 4.48Å; F95-I145 HydrophobicContact CE2-CD1 4.28Å; F95-I145 HydrophobicContact CZ-CD1 4.04Å; F95-I145 HydrophobicContact CZ-CG2 4.19Å |
| 96 | I | 90.5 | Very high | 91.2 | Very high | 106 Ų | 106 | 69.6 Ų | 69.6 | 54% | 0.544 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -70.6 | -46.3 | 169.8 | -68.3 | 167.7 | 0 | 0 | 0 | 109.9 | G87 M89 | G87-I96 WeakPolarHBondContact O-CG1 3.29Å; G87-I96 PolarHBondContact O-N 3.3Å; M89-I96 HydrophobicContact CG-CD1 4.34Å; M89-I96 HydrophobicContact CG-CG1 3.83Å; M89-I96 HydrophobicContact SD-CD1 4.43Å; M89-I96 HydrophobicContact SD-CG1 3.65Å |
| 97 | E | 91.4 | Very high | 91.5 | Very high | 138 Ų | 138 | 67.9 Ų | 67.9 | 65% | 0.645 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -112.5 | 121.3 | 174.5 | -173.7 | 176.6 | -171.2 | 0 | 0 | 108.7 | F95 N101 | F95-E97 WeakPolarHBondContact CB-O 3.38Å; E97-N101 HydrophobicContact CG-CB 4.17Å |
| 98 | E | 91.4 | Very high | 91.7 | Very high | 30 Ų | 30 | 76.8 Ų | 76.8 | 14% | 0.14 | 36% | 0.364 | C | S | . | . | trans | -80.8 | 157.9 | -176.3 | -75 | -61.3 | 159.4 | 0 | 0 | 112.9 | D100 N101 R138 K142 | E98-D100 PolarHBondContact O-N 3.26Å; E98-D100 VanDerWaalsContact O-N 3.07Å; E98-N101 PolarHBondContact N-OD1 2.98Å; E98-N101 PolarHBondContact O-N 3.42Å; E98-R138 WeakPolarHBondContact OE2-CD 3.28Å; E98-K142 WeakPolarHBondContact OE1-CE 3.43Å; E98-K142 IonicContact OE1-NZ 3.48Å; E98-K142 PolarHBondContact OE1-NZ 2.87Å; E98-K142 WeakPolarHBondContact OE2-CE 3.43Å; E98-K142 IonicContact OE2-NZ 3.8Å; E98-K142 PolarHBondContact OE2-NZ 2.99Å | ||
| 99 | F | 92.6 | Very high | 91.7 | Very high | 77 Ų | 77 | 81.1 Ų | 81.1 | 34% | 0.338 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | 121.7 | 161.2 | 174.2 | -104.6 | 0 | 0 | 0 | 108 | E137 R138 R141 | F99-E137 HydrophobicContact CD1-CG 4.27Å; F99-E137 HydrophobicContact CE1-CB 4.36Å; F99-E137 HydrophobicContact CE1-CG 3.62Å; F99-E137 HydrophobicContact CZ-CG 4.35Å; F99-R138 HydrophobicContact CB-CG 4.27Å; F99-R138 HydrophobicContact CD1-CB 4.33Å; F99-R138 PolarHBondContact O-NE 3.1Å; F99-R141 VanDerWaalsContact CD2-NH1 3.26Å; F99-R141 VanDerWaalsContact CZ-CZ 3.42Å |
| 100 | D | 94.8 | Very high | 91.9 | Very high | 51 Ų | 51 | 79.9 Ų | 79.9 | 27% | 0.273 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.8 | 56.9 | -179.9 | -161.6 | 11.5 | 0 | 0 | 0 | 112.8 | E98 Y102 A103 R134 R138 | E98-D100 PolarHBondContact O-N 3.26Å; E98-D100 VanDerWaalsContact O-N 3.07Å; D100-Y102 PolarHBondContact O-N 2.96Å; D100-Y102 VanDerWaalsContact O-N 3.1Å; D100-A103 PolarHBondContact O-N 3.05Å; D100-R134 IonicContact OD1-CZ 3.52Å; D100-R134 IonicContact OD1-NE 3.06Å; D100-R134 IonicContact OD1-NH2 2.73Å; D100-R134 PolarHBondContact OD1-NH2 3.02Å; D100-R134 IonicContact OD2-CZ 3.62Å; D100-R134 IonicContact OD2-NE 3.31Å; D100-R134 PolarHBondContact OD2-NE 3.5Å; D100-R134 IonicContact OD2-NH2 2.91Å; D100-R134 PolarHBondContact OD2-NH2 2.77Å; D100-R138 PolarHBondContact O-NH2 3.14Å |
| 101 | N | 94.8 | Very high | 92.3 | Very high | 59 Ų | 59 | 83.6 Ų | 83.6 | 32% | 0.316 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -15.3 | -171.1 | -166.8 | 73.6 | 0 | 0 | 0 | 115.4 | E97 E98 | E97-N101 HydrophobicContact CG-CB 4.17Å; E98-N101 PolarHBondContact N-OD1 2.98Å; E98-N101 PolarHBondContact O-N 3.42Å |
| 102 | Y | 95.4 | Very high | 92.7 | Very high | 125 Ų | 125 | 85.8 Ų | 85.8 | 49% | 0.49 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.5 | 9.8 | -177.7 | -56.6 | -73.1 | 0 | 0 | 0 | 113 | D100 E104 W105 | D100-Y102 PolarHBondContact O-N 2.96Å; D100-Y102 VanDerWaalsContact O-N 3.1Å; Y102-E104 PolarHBondContact O-N 3.05Å; Y102-E104 VanDerWaalsContact O-N 3.15Å; Y102-W105 HydrophobicContact CD1-CD2 4.03Å; Y102-W105 AromaticContact CD1-CE2 3.62Å; Y102-W105 HydrophobicContact CD1-CE3 4.47Å; Y102-W105 HydrophobicContact CD1-CH2 4.2Å; Y102-W105 AromaticContact CD1-CZ2 3.72Å; Y102-W105 HydrophobicContact CD1-CZ2 3.72Å; Y102-W105 AromaticContact CD1-NE1 3.89Å; Y102-W105 HydrophobicContact CE1-CH2 4.27Å; Y102-W105 AromaticContact CE1-CZ2 3.89Å; Y102-W105 HydrophobicContact CE1-CZ2 3.89Å; Y102-W105 VanDerWaalsContact O-CB 3.29Å; Y102-W105 WeakPolarHBondContact O-CB 3.4Å; Y102-W105 PolarHBondContact O-N 3.3Å |
| 103 | A | 94.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 83 Ų | 83 | 0% | 0 | 40% | 0.399 | C | S | . | . | G | 310 helix | trans | -58.4 | -30.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | D100 W105 D106 Y131 R134 | D100-A103 PolarHBondContact O-N 3.05Å; A103-W105 PolarHBondContact O-N 3.24Å; A103-D106 PolarHBondContact O-N 3.29Å; A103-Y131 HydrophobicContact CB-CD2 4.12Å; A103-Y131 HydrophobicContact CB-CE2 4.26Å; A103-R134 HydrophobicContact CB-CB 4.22Å |
| 104 | E | 93.4 | Very high | 93.3 | Very high | 69 Ų | 69 | 89.6 Ų | 89.6 | 32% | 0.322 | 42% | 0.419 | S | S | . | . | G | 310 helix | trans | -69.8 | -19.6 | 178.4 | -64.9 | 72.7 | -166.2 | 0 | 0 | 112.4 | Y102 D106 L107 R108 Y131 R138 | Y102-E104 PolarHBondContact O-N 3.05Å; Y102-E104 VanDerWaalsContact O-N 3.15Å; E104-D106 VanDerWaalsContact C-N 3.29Å; E104-D106 PolarHBondContact O-N 2.8Å; E104-L107 PolarHBondContact O-N 3.46Å; E104-R108 PolarHBondContact O-N 3.03Å; E104-Y131 HydrophobicContact CG-CE2 3.89Å; E104-R138 IonicContact OE1-CZ 3.06Å; E104-R138 IonicContact OE1-NH1 2.87Å; E104-R138 PolarHBondContact OE1-NH1 2.73Å; E104-R138 IonicContact OE1-NH2 2.59Å; E104-R138 PolarHBondContact OE1-NH2 3.31Å; E104-R138 IonicContact OE2-NH2 2.68Å; E104-R138 PolarHBondContact OE2-NH2 3.06Å |
| 105 | W | 94.6 | Very high | 93.6 | Very high | 178 Ų | 178 | 95.5 Ų | 95.5 | 67% | 0.674 | 45% | 0.45 | S | S | * | . | G | 310 helix | trans | -67.2 | -31.6 | 178.6 | -73.7 | 21.8 | 0 | 0 | 0 | 112.2 | Y102 A103 L107 R108 | Y102-W105 HydrophobicContact CD1-CD2 4.03Å; Y102-W105 AromaticContact CD1-CE2 3.62Å; Y102-W105 HydrophobicContact CD1-CE3 4.47Å; Y102-W105 HydrophobicContact CD1-CH2 4.2Å; Y102-W105 AromaticContact CD1-CZ2 3.72Å; Y102-W105 HydrophobicContact CD1-CZ2 3.72Å; Y102-W105 AromaticContact CD1-NE1 3.89Å; Y102-W105 HydrophobicContact CE1-CH2 4.27Å; Y102-W105 AromaticContact CE1-CZ2 3.89Å; Y102-W105 HydrophobicContact CE1-CZ2 3.89Å; Y102-W105 VanDerWaalsContact O-CB 3.29Å; Y102-W105 WeakPolarHBondContact O-CB 3.4Å; Y102-W105 PolarHBondContact O-N 3.3Å; A103-W105 PolarHBondContact O-N 3.24Å; W105-L107 PolarHBondContact O-N 2.99Å; W105-R108 VanDerWaalsContact O-CB 3.25Å; W105-R108 WeakPolarHBondContact O-CB 3.39Å; W105-R108 PolarHBondContact O-N 3.27Å; W105-R108 VanDerWaalsContact O-N 3.13Å |
| 106 | D | 90.6 | Very high | 93.8 | Very high | 76 Ų | 76 | 95.2 Ų | 95.2 | 41% | 0.406 | 45% | 0.45 | S | S | . | . | G | 310 helix | trans | -62.4 | -26.2 | 176.5 | -65.1 | 7.5 | 0 | 0 | 0 | 112 | A103 E104 I110 V127 R134 | A103-D106 PolarHBondContact O-N 3.29Å; E104-D106 VanDerWaalsContact C-N 3.29Å; E104-D106 PolarHBondContact O-N 2.8Å; D106-I110 WeakPolarHBondContact O-CD1 3.48Å; D106-V127 HydrophobicContact CB-CG1 4.42Å; D106-R134 VanDerWaalsContact CG-NH1 3.28Å; D106-R134 IonicContact OD1-NH1 3.38Å; D106-R134 IonicContact OD2-CZ 2.6Å; D106-R134 IonicContact OD2-NH1 2.73Å; D106-R134 PolarHBondContact OD2-NH1 3.48Å |
| 107 | L | 93.8 | Very high | 94.1 | Very high | 46 Ų | 46 | 93.6 Ų | 93.6 | 24% | 0.241 | 45% | 0.449 | C | S | . | . | G | 310 helix | trans | -91.1 | -10.4 | 179.6 | -63 | -173.7 | 0 | 0 | 0 | 113.6 | E104 W105 D109 I110 V127 V128 Y131 | E104-L107 PolarHBondContact O-N 3.46Å; W105-L107 PolarHBondContact O-N 2.99Å; L107-D109 PolarHBondContact O-N 3.24Å; L107-I110 HydrophobicContact CD2-CD1 3.85Å; L107-I110 PolarHBondContact O-N 3.47Å; L107-I110 VanDerWaalsContact O-N 3.15Å; L107-V127 HydrophobicContact CD2-CG1 4.24Å; L107-V128 HydrophobicContact CD2-CG2 4.15Å; L107-Y131 HydrophobicContact CD1-CD1 3.36Å; L107-Y131 HydrophobicContact CD1-CD2 3.87Å; L107-Y131 HydrophobicContact CD1-CE1 3.56Å; L107-Y131 HydrophobicContact CD1-CE2 4.1Å; L107-Y131 HydrophobicContact CD1-CG 3.48Å; L107-Y131 VanDerWaalsContact CD1-CG 3.48Å; L107-Y131 HydrophobicContact CD2-CG 4.4Å; L107-Y131 HydrophobicContact CG-CD1 4.32Å; L107-Y131 HydrophobicContact CG-CD2 4.24Å; L107-Y131 HydrophobicContact CG-CG 3.98Å |
| 108 | R | 93.6 | Very high | 94.4 | Very high | 204 Ų | 204 | 94 Ų | 94 | 77% | 0.77 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | -44 | -170.6 | -178.7 | -168.7 | 174.4 | -174.7 | -2.6 | 112.4 | E104 W105 | E104-R108 PolarHBondContact O-N 3.03Å; W105-R108 VanDerWaalsContact O-CB 3.25Å; W105-R108 WeakPolarHBondContact O-CB 3.39Å; W105-R108 PolarHBondContact O-N 3.27Å; W105-R108 VanDerWaalsContact O-N 3.13Å |
| 109 | D | 92.2 | Very high | 94.7 | Very high | 132 Ų | 132 | 99.1 Ų | 99.1 | 71% | 0.706 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.5 | 17.2 | -172.7 | -55.1 | -41.1 | 0 | 0 | 0 | 111.8 | L107 | L107-D109 PolarHBondContact O-N 3.24Š|
| 110 | I | 94.4 | Very high | 94.8 | Very high | 45 Ų | 45 | 98.8 Ų | 98.8 | 23% | 0.231 | 48% | 0.483 | C | S | . | . | trans | -94 | 116.1 | 174.5 | -64.8 | 176.5 | 0 | 0 | 0 | 109.4 | D106 L107 F112 K124 V127 | D106-I110 WeakPolarHBondContact O-CD1 3.48Å; L107-I110 HydrophobicContact CD2-CD1 3.85Å; L107-I110 PolarHBondContact O-N 3.47Å; L107-I110 VanDerWaalsContact O-N 3.15Å; I110-F112 HydrophobicContact CG2-CE2 4.09Å; I110-F112 HydrophobicContact CG2-CZ 4.38Å; I110-K124 HydrophobicContact CG2-CB 4.31Å; I110-K124 HydrophobicContact CG2-CG 4.31Å; I110-V127 HydrophobicContact CD1-CB 3.56Å; I110-V127 HydrophobicContact CD1-CG1 3.28Å; I110-V127 HydrophobicContact CD1-CG2 4.2Å | ||
| 111 | D | 95.1 | Very high | 94.9 | Very high | 97 Ų | 97 | 100.5 Ų | 100.5 | 52% | 0.519 | 49% | 0.49 | S | S | . | . | trans | -119.3 | 157.7 | 168.8 | 62.7 | -15.7 | 0 | 0 | 0 | 110.2 | K124 | D111-K124 VanDerWaalsContact O-CD 3.26Å; D111-K124 WeakPolarHBondContact O-CD 3.4Å; D111-K124 WeakPolarHBondContact O-CE 3.17Å; D111-K124 PolarHBondContact O-NZ 3.48Å; D111-K124 IonicContact OD1-NZ 3.17Å | ||
| 112 | F | 94.7 | Very high | 95.1 | Very high | 104 Ų | 104 | 100.5 Ų | 100.5 | 46% | 0.456 | 50% | 0.497 | S | S | . | . | trans | -114.3 | 125 | 174.9 | -70.3 | -88.1 | 0 | 0 | 0 | 108.7 | I110 H121 K124 M125 V128 | I110-F112 HydrophobicContact CG2-CE2 4.09Å; I110-F112 HydrophobicContact CG2-CZ 4.38Å; F112-H121 AromaticContact CD1-CE1 3.81Å; F112-H121 AromaticContact CD1-ND1 3.85Å; F112-K124 HydrophobicContact CD1-CB 4.46Å; F112-K124 HydrophobicContact CD1-CD 4.33Å; F112-K124 HydrophobicContact CE1-CB 3.75Å; F112-K124 HydrophobicContact CE1-CD 4.43Å; F112-K124 HydrophobicContact CZ-CB 4.09Å; F112-M125 HydrophobicContact CE1-CG 4.43Å; F112-M125 HydrophobicContact CE1-SD 4Å; F112-M125 HydrophobicContact CZ-SD 4.04Å; F112-V128 HydrophobicContact CZ-CG2 4.22Å | ||
| 113 | V | 96.3 | Very high | 95.1 | Very high | 71 Ų | 71 | 99.8 Ų | 99.8 | 43% | 0.43 | 50% | 0.501 | S | S | . | . | trans | -121.8 | 142.1 | -178.7 | -175.3 | 0 | 0 | 0 | 0 | 108.7 | D115 D116 | V113-D115 PolarHBondContact O-N 3.39Å; V113-D116 PolarHBondContact N-OD2 3.48Å; V113-D116 VanDerWaalsContact N-OD2 3.11Å; V113-D116 VanDerWaalsContact O-CB 3.29Å; V113-D116 WeakPolarHBondContact O-CB 3.28Å; V113-D116 VanDerWaalsContact O-CG 3.22Å; V113-D116 PolarHBondContact O-N 3.07Å; V113-D116 VanDerWaalsContact O-N 3.1Å | ||
| 114 | E | 92.8 | Very high | 95.3 | Very high | 203 Ų | 203 | 100.9 Ų | 100.9 | 95% | 0.949 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -28.4 | -177 | -65.5 | -174.5 | 173.3 | 0 | 0 | 113.2 | D116 | E114-D116 VanDerWaalsContact C-N 3.29Å; E114-D116 PolarHBondContact O-N 2.85Å |
| 115 | D | 95.8 | Very high | 95.4 | Very high | 159 Ų | 159 | 101.1 Ų | 101.1 | 85% | 0.85 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | 5.8 | 178.3 | -64 | -31 | 0 | 0 | 0 | 113.6 | V113 S117 | V113-D115 PolarHBondContact O-N 3.39Å; D115-S117 PolarHBondContact O-N 3.26Å |
| 116 | D | 96.4 | Very high | 95.5 | Very high | 30 Ų | 30 | 94.7 Ų | 94.7 | 16% | 0.16 | 49% | 0.493 | C | S | . | . | trans | -60.1 | 131.3 | 176.1 | -77.4 | -27.7 | 0 | 0 | 0 | 110.5 | V113 E114 L120 K124 | V113-D116 PolarHBondContact N-OD2 3.48Å; V113-D116 VanDerWaalsContact N-OD2 3.11Å; V113-D116 VanDerWaalsContact O-CB 3.29Å; V113-D116 WeakPolarHBondContact O-CB 3.28Å; V113-D116 VanDerWaalsContact O-CG 3.22Å; V113-D116 PolarHBondContact O-N 3.07Å; V113-D116 VanDerWaalsContact O-N 3.1Å; E114-D116 VanDerWaalsContact C-N 3.29Å; E114-D116 PolarHBondContact O-N 2.85Å; D116-L120 HydrophobicContact CB-CD2 4.4Å; D116-L120 WeakPolarHBondContact OD1-CD2 3.48Å; D116-K124 VanDerWaalsContact CG-NZ 3.28Å; D116-K124 IonicContact OD1-NZ 3.55Å; D116-K124 PolarHBondContact OD1-NZ 2.74Å; D116-K124 IonicContact OD2-NZ 3.07Å; D116-K124 PolarHBondContact OD2-NZ 2.87Å | ||
| 117 | S | 97.4 | Very high | 95.9 | Very high | 72 Ų | 72 | 93 Ų | 93 | 50% | 0.503 | 49% | 0.485 | S | S | . | . | trans | -57.7 | 143.8 | 167.8 | 173.1 | 0 | 0 | 0 | 0 | 110.3 | D115 I119 L120 H121 | D115-S117 PolarHBondContact O-N 3.26Å; S117-I119 PolarHBondContact O-N 3.46Å; S117-L120 WeakPolarHBondContact O-CA 3.19Å; S117-L120 WeakPolarHBondContact O-CB 3.29Å; S117-L120 PolarHBondContact O-N 3.48Å; S117-H121 PolarHBondContact O-N 3.3Å | ||
| 118 | D | 97.3 | Very high | 96 | Very high | 145 Ų | 145 | 92.9 Ų | 92.9 | 78% | 0.775 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -48.3 | -37.3 | 176.1 | -64.8 | -28.7 | 0 | 0 | 0 | 113.1 | A122 | D118-A122 VanDerWaalsContact O-CB 3.31Å; D118-A122 WeakPolarHBondContact O-CB 3.21Å; D118-A122 PolarHBondContact O-N 3.25Å |
| 119 | I | 97.3 | Very high | 96.2 | Very high | 138 Ų | 138 | 88.2 Ų | 88.2 | 71% | 0.708 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -68.9 | -42.2 | 178.8 | -61.1 | 170.4 | 0 | 0 | 0 | 111 | S117 A122 L123 | S117-I119 PolarHBondContact O-N 3.46Å; I119-A122 PolarHBondContact O-N 2.93Å; I119-L123 WeakPolarHBondContact O-CB 3.09Å; I119-L123 PolarHBondContact O-N 3.06Å |
| 120 | L | 96.6 | Very high | 96.4 | Very high | 71 Ų | 71 | 86.4 Ų | 86.4 | 37% | 0.372 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -67.3 | -42.3 | 177.4 | 179.3 | 59.5 | 0 | 0 | 0 | 110.6 | D116 S117 L123 K124 | D116-L120 HydrophobicContact CB-CD2 4.4Å; D116-L120 WeakPolarHBondContact OD1-CD2 3.48Å; S117-L120 WeakPolarHBondContact O-CA 3.19Å; S117-L120 WeakPolarHBondContact O-CB 3.29Å; S117-L120 PolarHBondContact O-N 3.48Å; L120-L123 PolarHBondContact O-N 3.31Å; L120-K124 HydrophobicContact CD1-CG 4.47Å; L120-K124 HydrophobicContact CG-CD 4.33Å; L120-K124 WeakPolarHBondContact O-CG 3.5Å; L120-K124 PolarHBondContact O-N 2.93Å |
| 121 | H | 96.9 | Very high | 96.5 | Very high | 87 Ų | 87 | 86.4 Ų | 86.4 | 40% | 0.403 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -59.7 | -46.5 | 174.5 | -171 | 86 | 0 | 0 | 0 | 111.5 | F112 S117 L123 K124 M125 | F112-H121 AromaticContact CD1-CE1 3.81Å; F112-H121 AromaticContact CD1-ND1 3.85Å; S117-H121 PolarHBondContact O-N 3.3Å; H121-L123 VanDerWaalsContact C-N 3.32Å; H121-L123 PolarHBondContact O-N 2.94Å; H121-K124 PolarHBondContact O-N 3.06Å; H121-M125 WeakPolarHBondContact O-CG 3.39Å; H121-M125 PolarHBondContact O-N 2.68Å |
| 122 | A | 97.4 | Very high | 96.5 | Very high | 58 Ų | 58 | 86.2 Ų | 86.2 | 48% | 0.479 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -61.2 | -38.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | D118 I119 M125 A126 | D118-A122 VanDerWaalsContact O-CB 3.31Å; D118-A122 WeakPolarHBondContact O-CB 3.21Å; D118-A122 PolarHBondContact O-N 3.25Å; I119-A122 PolarHBondContact O-N 2.93Å; A122-M125 PolarHBondContact O-N 2.59Å; A122-A126 WeakPolarHBondContact O-CB 3.48Å; A122-A126 PolarHBondContact O-N 3.09Å |
| 123 | L | 96.8 | Very high | 96.7 | Very high | 110 Ų | 110 | 85 Ų | 85 | 58% | 0.576 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -64.9 | -46.3 | 175.3 | -177.9 | 64.4 | 0 | 0 | 0 | 111.6 | I119 L120 H121 M125 A126 V127 | I119-L123 WeakPolarHBondContact O-CB 3.09Å; I119-L123 PolarHBondContact O-N 3.06Å; L120-L123 PolarHBondContact O-N 3.31Å; H121-L123 VanDerWaalsContact C-N 3.32Å; H121-L123 PolarHBondContact O-N 2.94Å; L123-M125 VanDerWaalsContact C-N 3.32Å; L123-M125 PolarHBondContact O-N 2.91Å; L123-A126 WeakPolarHBondContact O-CB 2.77Å; L123-A126 PolarHBondContact O-N 3.44Å; L123-A126 VanDerWaalsContact O-N 3.17Å; L123-V127 PolarHBondContact O-N 3.49Å; L123-V127 VanDerWaalsContact O-N 3.11Å |
| 124 | K | 97.3 | Very high | 96.7 | Very high | 24 Ų | 24 | 84.4 Ų | 84.4 | 10% | 0.104 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -58.5 | -44.8 | 176 | -71.4 | 174.3 | 175.5 | -174 | 0 | 111 | I110 D111 F112 D116 L120 H121 A126 V127 V128 | I110-K124 HydrophobicContact CG2-CB 4.31Å; I110-K124 HydrophobicContact CG2-CG 4.31Å; D111-K124 VanDerWaalsContact O-CD 3.26Å; D111-K124 WeakPolarHBondContact O-CD 3.4Å; D111-K124 WeakPolarHBondContact O-CE 3.17Å; D111-K124 PolarHBondContact O-NZ 3.48Å; D111-K124 IonicContact OD1-NZ 3.17Å; F112-K124 HydrophobicContact CD1-CB 4.46Å; F112-K124 HydrophobicContact CD1-CD 4.33Å; F112-K124 HydrophobicContact CE1-CB 3.75Å; F112-K124 HydrophobicContact CE1-CD 4.43Å; F112-K124 HydrophobicContact CZ-CB 4.09Å; D116-K124 VanDerWaalsContact CG-NZ 3.28Å; D116-K124 IonicContact OD1-NZ 3.55Å; D116-K124 PolarHBondContact OD1-NZ 2.74Å; D116-K124 IonicContact OD2-NZ 3.07Å; D116-K124 PolarHBondContact OD2-NZ 2.87Å; L120-K124 HydrophobicContact CD1-CG 4.47Å; L120-K124 HydrophobicContact CG-CD 4.33Å; L120-K124 WeakPolarHBondContact O-CG 3.5Å; L120-K124 PolarHBondContact O-N 2.93Å; H121-K124 PolarHBondContact O-N 3.06Å; K124-A126 PolarHBondContact O-N 3.14Å; K124-V127 PolarHBondContact O-N 3.47Å; K124-V128 PolarHBondContact O-N 3.03Å; K124-V128 VanDerWaalsContact O-N 3.15Å |
| 125 | M | 96.9 | Very high | 96.8 | Very high | 74 Ų | 74 | 77.4 Ų | 77.4 | 37% | 0.365 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -60.4 | -42.2 | 174.6 | -74.3 | -55.4 | -51.8 | 0 | 0 | 112.7 | F112 H121 A122 L123 V127 V128 D129 | F112-M125 HydrophobicContact CE1-CG 4.43Å; F112-M125 HydrophobicContact CE1-SD 4Å; F112-M125 HydrophobicContact CZ-SD 4.04Å; H121-M125 WeakPolarHBondContact O-CG 3.39Å; H121-M125 PolarHBondContact O-N 2.68Å; A122-M125 PolarHBondContact O-N 2.59Å; L123-M125 VanDerWaalsContact C-N 3.32Å; L123-M125 PolarHBondContact O-N 2.91Å; M125-V127 VanDerWaalsContact C-N 3.29Å; M125-V127 PolarHBondContact O-N 2.71Å; M125-V128 WeakPolarHBondContact O-CB 3.48Å; M125-V128 PolarHBondContact O-N 3.46Å; M125-V128 VanDerWaalsContact O-N 3.15Å; M125-D129 PolarHBondContact O-N 2.9Å |
| 126 | A | 97.1 | Very high | 96.9 | Very high | 43 Ų | 43 | 76.2 Ų | 76.2 | 36% | 0.355 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -61.6 | -36.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | A122 L123 K124 D129 I130 | A122-A126 WeakPolarHBondContact O-CB 3.48Å; A122-A126 PolarHBondContact O-N 3.09Å; L123-A126 WeakPolarHBondContact O-CB 2.77Å; L123-A126 PolarHBondContact O-N 3.44Å; L123-A126 VanDerWaalsContact O-N 3.17Å; K124-A126 PolarHBondContact O-N 3.14Å; A126-D129 PolarHBondContact O-N 3.35Å; A126-I130 VanDerWaalsContact O-CG1 3.27Å; A126-I130 WeakPolarHBondContact O-CG1 3.2Å; A126-I130 PolarHBondContact O-N 3.29Å |
| 127 | V | 97.1 | Very high | 96.9 | Very high | 39 Ų | 39 | 77.1 Ų | 77.1 | 24% | 0.236 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -66.3 | -41.8 | 174.6 | -177.3 | 0 | 0 | 0 | 0 | 111.4 | D106 L107 I110 L123 K124 M125 D129 I130 Y131 | D106-V127 HydrophobicContact CB-CG1 4.42Å; L107-V127 HydrophobicContact CD2-CG1 4.24Å; I110-V127 HydrophobicContact CD1-CB 3.56Å; I110-V127 HydrophobicContact CD1-CG1 3.28Å; I110-V127 HydrophobicContact CD1-CG2 4.2Å; L123-V127 PolarHBondContact O-N 3.49Å; L123-V127 VanDerWaalsContact O-N 3.11Å; K124-V127 PolarHBondContact O-N 3.47Å; M125-V127 VanDerWaalsContact C-N 3.29Å; M125-V127 PolarHBondContact O-N 2.71Å; V127-D129 VanDerWaalsContact C-N 3.31Å; V127-D129 PolarHBondContact O-N 3.36Å; V127-I130 WeakPolarHBondContact O-CB 3.46Å; V127-I130 PolarHBondContact O-N 3.37Å; V127-Y131 PolarHBondContact O-N 2.9Å |
| 128 | V | 96.8 | Very high | 96.8 | Very high | 45 Ų | 45 | 74.7 Ų | 74.7 | 27% | 0.273 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -60.8 | -41.1 | 174.6 | 175.8 | 0 | 0 | 0 | 0 | 111.3 | L107 F112 K124 M125 Y131 H132 | L107-V128 HydrophobicContact CD2-CG2 4.15Å; F112-V128 HydrophobicContact CZ-CG2 4.22Å; K124-V128 PolarHBondContact O-N 3.03Å; K124-V128 VanDerWaalsContact O-N 3.15Å; M125-V128 WeakPolarHBondContact O-CB 3.48Å; M125-V128 PolarHBondContact O-N 3.46Å; M125-V128 VanDerWaalsContact O-N 3.15Å; V128-Y131 WeakPolarHBondContact O-CB 3.36Å; V128-Y131 PolarHBondContact O-N 3.36Å; V128-H132 WeakPolarHBondContact O-CB 3.47Å; V128-H132 PolarHBondContact O-N 3.15Å |
| 129 | D | 97.2 | Very high | 96.6 | Very high | 105 Ų | 105 | 73.5 Ų | 73.5 | 56% | 0.561 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -63.7 | -40.7 | 176.1 | -75.5 | -25.1 | 0 | 0 | 0 | 112.3 | M125 A126 V127 H132 S133 | M125-D129 PolarHBondContact O-N 2.9Å; A126-D129 PolarHBondContact O-N 3.35Å; V127-D129 VanDerWaalsContact C-N 3.31Å; V127-D129 PolarHBondContact O-N 3.36Å; D129-H132 PolarHBondContact O-N 3Å; D129-S133 PolarHBondContact O-N 3.21Å |
| 130 | I | 96.3 | Very high | 96.5 | Very high | 95 Ų | 95 | 72 Ų | 72 | 49% | 0.487 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -60.5 | -48.7 | 173.8 | -69.7 | 163.4 | 0 | 0 | 0 | 110.1 | A126 V127 H132 S133 R134 | A126-I130 VanDerWaalsContact O-CG1 3.27Å; A126-I130 WeakPolarHBondContact O-CG1 3.2Å; A126-I130 PolarHBondContact O-N 3.29Å; V127-I130 WeakPolarHBondContact O-CB 3.46Å; V127-I130 PolarHBondContact O-N 3.37Å; I130-H132 VanDerWaalsContact C-N 3.32Å; I130-H132 PolarHBondContact O-N 2.72Å; I130-S133 WeakPolarHBondContact O-CB 3.36Å; I130-S133 PolarHBondContact O-N 3.11Å; I130-S133 VanDerWaalsContact O-N 3.16Å; I130-R134 WeakPolarHBondContact O-CG 3.22Å; I130-R134 PolarHBondContact O-N 2.92Å |
| 131 | Y | 96.9 | Very high | 96.3 | Very high | 45 Ų | 45 | 72.3 Ų | 72.3 | 18% | 0.176 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -57.3 | -45.2 | 175.5 | 168 | -105.2 | 0 | 0 | 0 | 112 | A103 E104 L107 V127 V128 S133 R134 L135 | A103-Y131 HydrophobicContact CB-CD2 4.12Å; A103-Y131 HydrophobicContact CB-CE2 4.26Å; E104-Y131 HydrophobicContact CG-CE2 3.89Å; L107-Y131 HydrophobicContact CD1-CD1 3.36Å; L107-Y131 HydrophobicContact CD1-CD2 3.87Å; L107-Y131 HydrophobicContact CD1-CE1 3.56Å; L107-Y131 HydrophobicContact CD1-CE2 4.1Å; L107-Y131 HydrophobicContact CD1-CG 3.48Å; L107-Y131 VanDerWaalsContact CD1-CG 3.48Å; L107-Y131 HydrophobicContact CD2-CG 4.4Å; L107-Y131 HydrophobicContact CG-CD1 4.32Å; L107-Y131 HydrophobicContact CG-CD2 4.24Å; L107-Y131 HydrophobicContact CG-CG 3.98Å; V127-Y131 PolarHBondContact O-N 2.9Å; V128-Y131 WeakPolarHBondContact O-CB 3.36Å; V128-Y131 PolarHBondContact O-N 3.36Å; Y131-S133 VanDerWaalsContact C-N 3.28Å; Y131-S133 PolarHBondContact O-N 3.47Å; Y131-R134 WeakPolarHBondContact O-CB 3.35Å; Y131-R134 PolarHBondContact O-N 3.27Å; Y131-R134 VanDerWaalsContact O-N 3.1Å; Y131-L135 HydrophobicContact CD1-CD1 3.99Å; Y131-L135 HydrophobicContact CE1-CD1 3.3Å; Y131-L135 HydrophobicContact CE1-CG 4.01Å; Y131-L135 HydrophobicContact CE2-CD1 4.21Å; Y131-L135 HydrophobicContact CE2-CD2 4.47Å; Y131-L135 HydrophobicContact CE2-CG 4.04Å; Y131-L135 VanDerWaalsContact CZ-CD1 3.43Å; Y131-L135 PolarHBondContact O-N 2.98Å |
| 132 | H | 96.4 | Very high | 96.1 | Very high | 93 Ų | 93 | 70.3 Ų | 70.3 | 43% | 0.431 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62.4 | -36.7 | 178.4 | -164.8 | 109.4 | 0 | 0 | 0 | 112.1 | V128 D129 I130 L135 K136 | V128-H132 WeakPolarHBondContact O-CB 3.47Å; V128-H132 PolarHBondContact O-N 3.15Å; D129-H132 PolarHBondContact O-N 3Å; I130-H132 VanDerWaalsContact C-N 3.32Å; I130-H132 PolarHBondContact O-N 2.72Å; H132-L135 PolarHBondContact O-N 3.42Å; H132-K136 WeakPolarHBondContact CD2-CE 3.45Å; H132-K136 WeakPolarHBondContact NE2-CE 3.43Å; H132-K136 PolarHBondContact NE2-NZ 3.11Å; H132-K136 WeakPolarHBondContact O-CG 3.43Å; H132-K136 PolarHBondContact O-N 3.36Å |
| 133 | S | 97.2 | Very high | 95.9 | Very high | 77 Ų | 77 | 72.9 Ų | 72.9 | 54% | 0.538 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62.4 | -43.5 | 172.7 | -172.4 | 0 | 0 | 0 | 0 | 112 | D129 I130 Y131 L135 K136 E137 | D129-S133 PolarHBondContact O-N 3.21Å; I130-S133 WeakPolarHBondContact O-CB 3.36Å; I130-S133 PolarHBondContact O-N 3.11Å; I130-S133 VanDerWaalsContact O-N 3.16Å; Y131-S133 VanDerWaalsContact C-N 3.28Å; Y131-S133 PolarHBondContact O-N 3.47Å; S133-L135 PolarHBondContact O-N 3.07Å; S133-K136 PolarHBondContact O-N 3.39Å; S133-E137 PolarHBondContact O-N 3.43Å |
| 134 | R | 97.1 | Very high | 95.7 | Very high | 59 Ų | 59 | 68.9 Ų | 68.9 | 22% | 0.223 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.6 | -43.6 | 175.8 | -63.6 | 169.5 | 79 | 174.6 | 2.4 | 111.3 | D100 A103 D106 I130 Y131 K136 E137 R138 | D100-R134 IonicContact OD1-CZ 3.52Å; D100-R134 IonicContact OD1-NE 3.06Å; D100-R134 IonicContact OD1-NH2 2.73Å; D100-R134 PolarHBondContact OD1-NH2 3.02Å; D100-R134 IonicContact OD2-CZ 3.62Å; D100-R134 IonicContact OD2-NE 3.31Å; D100-R134 PolarHBondContact OD2-NE 3.5Å; D100-R134 IonicContact OD2-NH2 2.91Å; D100-R134 PolarHBondContact OD2-NH2 2.77Å; A103-R134 HydrophobicContact CB-CB 4.22Å; D106-R134 VanDerWaalsContact CG-NH1 3.28Å; D106-R134 IonicContact OD1-NH1 3.38Å; D106-R134 IonicContact OD2-CZ 2.6Å; D106-R134 IonicContact OD2-NH1 2.73Å; D106-R134 PolarHBondContact OD2-NH1 3.48Å; I130-R134 WeakPolarHBondContact O-CG 3.22Å; I130-R134 PolarHBondContact O-N 2.92Å; Y131-R134 WeakPolarHBondContact O-CB 3.35Å; Y131-R134 PolarHBondContact O-N 3.27Å; Y131-R134 VanDerWaalsContact O-N 3.1Å; R134-K136 PolarHBondContact O-N 3.35Å; R134-E137 PolarHBondContact O-N 3.31Å; R134-R138 PolarHBondContact O-N 3.04Å |
| 135 | L | 95.6 | Very high | 95.3 | Very high | 56 Ų | 56 | 70 Ų | 70 | 29% | 0.293 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -59.9 | -43.5 | 173.7 | -81.8 | 178.4 | 0 | 0 | 0 | 113 | Y131 H132 S133 E137 R138 Q139 | Y131-L135 HydrophobicContact CD1-CD1 3.99Å; Y131-L135 HydrophobicContact CE1-CD1 3.3Å; Y131-L135 HydrophobicContact CE1-CG 4.01Å; Y131-L135 HydrophobicContact CE2-CD1 4.21Å; Y131-L135 HydrophobicContact CE2-CD2 4.47Å; Y131-L135 HydrophobicContact CE2-CG 4.04Å; Y131-L135 VanDerWaalsContact CZ-CD1 3.43Å; Y131-L135 PolarHBondContact O-N 2.98Å; H132-L135 PolarHBondContact O-N 3.42Å; S133-L135 PolarHBondContact O-N 3.07Å; L135-E137 VanDerWaalsContact C-N 3.34Å; L135-E137 PolarHBondContact O-N 3.41Å; L135-R138 WeakPolarHBondContact O-CB 3.25Å; L135-R138 PolarHBondContact O-N 3.49Å; L135-Q139 PolarHBondContact O-N 3.37Å |
| 136 | K | 96.8 | Very high | 95 | Very high | 134 Ų | 134 | 73.6 Ų | 73.6 | 58% | 0.583 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -61.1 | -42.8 | 176.3 | -80.4 | 176 | 172.5 | 158.9 | 0 | 111.7 | H132 S133 R134 Q139 R140 | H132-K136 WeakPolarHBondContact CD2-CE 3.45Å; H132-K136 WeakPolarHBondContact NE2-CE 3.43Å; H132-K136 PolarHBondContact NE2-NZ 3.11Å; H132-K136 WeakPolarHBondContact O-CG 3.43Å; H132-K136 PolarHBondContact O-N 3.36Å; S133-K136 PolarHBondContact O-N 3.39Å; R134-K136 PolarHBondContact O-N 3.35Å; K136-Q139 PolarHBondContact O-N 2.93Å; K136-R140 WeakPolarHBondContact O-CB 3.13Å; K136-R140 PolarHBondContact O-N 3.16Å |
| 137 | E | 96.1 | Very high | 94.7 | Very high | 49 Ų | 49 | 74.4 Ų | 74.4 | 23% | 0.229 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -66.3 | -40.8 | 176.7 | 178.3 | 60.2 | -170.6 | 0 | 0 | 111.8 | F99 S133 R134 L135 Q139 R140 R141 | F99-E137 HydrophobicContact CD1-CG 4.27Å; F99-E137 HydrophobicContact CE1-CB 4.36Å; F99-E137 HydrophobicContact CE1-CG 3.62Å; F99-E137 HydrophobicContact CZ-CG 4.35Å; S133-E137 PolarHBondContact O-N 3.43Å; R134-E137 PolarHBondContact O-N 3.31Å; L135-E137 VanDerWaalsContact C-N 3.34Å; L135-E137 PolarHBondContact O-N 3.41Å; E137-Q139 VanDerWaalsContact C-N 3.35Å; E137-Q139 PolarHBondContact O-N 3.28Å; E137-R140 WeakPolarHBondContact O-CB 3.43Å; E137-R140 PolarHBondContact O-N 2.9Å; E137-R140 IonicContact OE1-CZ 3.43Å; E137-R140 IonicContact OE1-NE 2.74Å; E137-R140 IonicContact OE1-NH2 3.26Å; E137-R140 PolarHBondContact OE1-NH2 2.9Å; E137-R140 VanDerWaalsContact OE1-NH2 3.07Å; E137-R140 IonicContact OE2-CZ 3.21Å; E137-R140 IonicContact OE2-NE 3.07Å; E137-R140 PolarHBondContact OE2-NE 3.48Å; E137-R140 IonicContact OE2-NH2 3.9Å; E137-R140 PolarHBondContact OE2-NH2 3.34Å; E137-R141 WeakPolarHBondContact O-CG 3.44Å; E137-R141 PolarHBondContact O-N 2.87Å; E137-R141 IonicContact OE1-CZ 2.64Å; E137-R141 IonicContact OE1-NE 3.5Å; E137-R141 PolarHBondContact OE1-NE 2.93Å; E137-R141 IonicContact OE1-NH2 2.94Å; E137-R141 PolarHBondContact OE1-NH2 3.1Å |
| 138 | R | 95.4 | Very high | 94.2 | Very high | 22 Ų | 22 | 73.6 Ų | 73.6 | 8% | 0.083 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -56.3 | -49.3 | 173.1 | -172.1 | -172 | -64.4 | 158 | -3.7 | 110.8 | E98 F99 D100 E104 R134 L135 R140 R141 K142 | E98-R138 WeakPolarHBondContact OE2-CD 3.28Å; F99-R138 HydrophobicContact CB-CG 4.27Å; F99-R138 HydrophobicContact CD1-CB 4.33Å; F99-R138 PolarHBondContact O-NE 3.1Å; D100-R138 PolarHBondContact O-NH2 3.14Å; E104-R138 IonicContact OE1-CZ 3.06Å; E104-R138 IonicContact OE1-NH1 2.87Å; E104-R138 PolarHBondContact OE1-NH1 2.73Å; E104-R138 IonicContact OE1-NH2 2.59Å; E104-R138 PolarHBondContact OE1-NH2 3.31Å; E104-R138 IonicContact OE2-NH2 2.68Å; E104-R138 PolarHBondContact OE2-NH2 3.06Å; R134-R138 PolarHBondContact O-N 3.04Å; L135-R138 WeakPolarHBondContact O-CB 3.25Å; L135-R138 PolarHBondContact O-N 3.49Å; R138-R140 PolarHBondContact O-N 3.21Å; R138-R141 PolarHBondContact O-N 2.88Å; R138-K142 PolarHBondContact O-N 3.07Å |
| 139 | Q | 94.5 | Very high | 93.8 | Very high | 120 Ų | 120 | 73 Ų | 73 | 56% | 0.561 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -65.1 | -39.3 | 177.9 | -171.4 | 64.7 | 0.7 | 0 | 0 | 112.5 | L135 K136 E137 R141 K142 K143 | L135-Q139 PolarHBondContact O-N 3.37Å; K136-Q139 PolarHBondContact O-N 2.93Å; E137-Q139 VanDerWaalsContact C-N 3.35Å; E137-Q139 PolarHBondContact O-N 3.28Å; Q139-R141 VanDerWaalsContact C-N 3.33Å; Q139-R141 PolarHBondContact O-N 2.9Å; Q139-K142 PolarHBondContact O-N 2.85Å; Q139-K143 WeakPolarHBondContact O-CB 3.35Å; Q139-K143 PolarHBondContact O-N 3.39Å |
| 140 | R | 94.5 | Very high | 93.3 | Very high | 107 Ų | 107 | 70.7 Ų | 70.7 | 40% | 0.404 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -59.8 | -44 | 175.6 | -169.2 | -176.4 | 78.2 | 105.8 | -0.5 | 111.2 | K136 E137 R138 K143 I144 | K136-R140 WeakPolarHBondContact O-CB 3.13Å; K136-R140 PolarHBondContact O-N 3.16Å; E137-R140 WeakPolarHBondContact O-CB 3.43Å; E137-R140 PolarHBondContact O-N 2.9Å; E137-R140 IonicContact OE1-CZ 3.43Å; E137-R140 IonicContact OE1-NE 2.74Å; E137-R140 IonicContact OE1-NH2 3.26Å; E137-R140 PolarHBondContact OE1-NH2 2.9Å; E137-R140 VanDerWaalsContact OE1-NH2 3.07Å; E137-R140 IonicContact OE2-CZ 3.21Å; E137-R140 IonicContact OE2-NE 3.07Å; E137-R140 PolarHBondContact OE2-NE 3.48Å; E137-R140 IonicContact OE2-NH2 3.9Å; E137-R140 PolarHBondContact OE2-NH2 3.34Å; R138-R140 PolarHBondContact O-N 3.21Å; R140-K143 WeakPolarHBondContact O-CB 3.14Å; R140-K143 PolarHBondContact O-N 3.38Å; R140-I144 HydrophobicContact CG-CD1 4.13Å; R140-I144 WeakPolarHBondContact O-CG1 3.28Å; R140-I144 PolarHBondContact O-N 3.36Å |
| 141 | R | 93.1 | Very high | 92.8 | Very high | 77 Ų | 77 | 67.6 Ų | 67.6 | 29% | 0.291 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -65.3 | -45.1 | 177.8 | -72.4 | -178.7 | -179.9 | -143.9 | 8 | 112.4 | F99 E137 R138 Q139 K143 I144 I145 | F99-R141 VanDerWaalsContact CD2-NH1 3.26Å; F99-R141 VanDerWaalsContact CZ-CZ 3.42Å; E137-R141 WeakPolarHBondContact O-CG 3.44Å; E137-R141 PolarHBondContact O-N 2.87Å; E137-R141 IonicContact OE1-CZ 2.64Å; E137-R141 IonicContact OE1-NE 3.5Å; E137-R141 PolarHBondContact OE1-NE 2.93Å; E137-R141 IonicContact OE1-NH2 2.94Å; E137-R141 PolarHBondContact OE1-NH2 3.1Å; R138-R141 PolarHBondContact O-N 2.88Å; Q139-R141 VanDerWaalsContact C-N 3.33Å; Q139-R141 PolarHBondContact O-N 2.9Å; R141-K143 VanDerWaalsContact C-N 3.27Å; R141-K143 PolarHBondContact O-N 3Å; R141-I144 PolarHBondContact O-N 2.92Å; R141-I145 VanDerWaalsContact O-CG1 3.31Å; R141-I145 WeakPolarHBondContact O-CG1 3.34Å; R141-I145 PolarHBondContact O-N 3.15Å |
| 142 | K | 92.5 | Very high | 92.1 | Very high | 44 Ų | 44 | 69.2 Ų | 69.2 | 19% | 0.191 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -56.3 | -44.9 | 173.3 | -71.8 | -175.7 | -176.5 | -176.3 | 0 | 111.5 | D94 F95 E98 R138 Q139 I145 R146 | D94-K142 IonicContact OD1-NZ 3.63Å; D94-K142 PolarHBondContact OD1-NZ 2.97Å; F95-K142 HydrophobicContact CE2-CG 4.48Å; E98-K142 WeakPolarHBondContact OE1-CE 3.43Å; E98-K142 IonicContact OE1-NZ 3.48Å; E98-K142 PolarHBondContact OE1-NZ 2.87Å; E98-K142 WeakPolarHBondContact OE2-CE 3.43Å; E98-K142 IonicContact OE2-NZ 3.8Å; E98-K142 PolarHBondContact OE2-NZ 2.99Å; R138-K142 PolarHBondContact O-N 3.07Å; Q139-K142 PolarHBondContact O-N 2.85Å; K142-I145 PolarHBondContact O-N 2.94Å; K142-R146 WeakPolarHBondContact O-CB 3.45Å; K142-R146 PolarHBondContact O-N 3.23Å |
| 143 | K | 92.4 | Very high | 91.3 | Very high | 113 Ų | 113 | 68.3 Ų | 68.3 | 49% | 0.491 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -59.1 | -49.2 | 176.6 | -178 | 176 | 179.3 | -173.8 | 0 | 111.5 | Q139 R140 R141 I145 R146 D147 | Q139-K143 WeakPolarHBondContact O-CB 3.35Å; Q139-K143 PolarHBondContact O-N 3.39Å; R140-K143 WeakPolarHBondContact O-CB 3.14Å; R140-K143 PolarHBondContact O-N 3.38Å; R141-K143 VanDerWaalsContact C-N 3.27Å; R141-K143 PolarHBondContact O-N 3Å; K143-I145 PolarHBondContact O-N 3.17Å; K143-R146 PolarHBondContact O-N 2.95Å; K143-D147 WeakPolarHBondContact CE-OD2 3.26Å; K143-D147 WeakPolarHBondContact CG-OD2 3.37Å; K143-D147 WeakPolarHBondContact O-CB 3.39Å; K143-D147 PolarHBondContact O-N 3.46Å |
| 144 | I | 91.8 | Very high | 90.5 | Very high | 25 Ų | 25 | 72.6 Ų | 72.6 | 13% | 0.128 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -59.3 | -47 | 177.7 | -68.3 | 160.5 | 0 | 0 | 0 | 110.9 | R140 R141 R146 D147 H148 R179 | R140-I144 HydrophobicContact CG-CD1 4.13Å; R140-I144 WeakPolarHBondContact O-CG1 3.28Å; R140-I144 PolarHBondContact O-N 3.36Å; R141-I144 PolarHBondContact O-N 2.92Å; I144-R146 VanDerWaalsContact C-N 3.33Å; I144-R146 PolarHBondContact O-N 3.15Å; I144-D147 PolarHBondContact O-N 3.43Å; I144-H148 WeakPolarHBondContact O-CB 3.27Å; I144-H148 PolarHBondContact O-CD2 3.38Å; I144-H148 VanDerWaalsContact O-CD2 3.29Å; I144-H148 PolarHBondContact O-N 3.3Å; I144-R179 HydrophobicContact CD1-CB 4.2Å; I144-R179 HydrophobicContact CD1-CG 4.34Å |
| 145 | I | 90.8 | Very high | 89.7 | Confident | 49 Ų | 49 | 76 Ų | 76 | 25% | 0.251 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -59.3 | -45.8 | 179.7 | -70.4 | 165.5 | 0 | 0 | 0 | 111 | F95 R141 K142 K143 G149 L150 I151 | F95-I145 HydrophobicContact CE2-CD1 4.28Å; F95-I145 HydrophobicContact CZ-CD1 4.04Å; F95-I145 HydrophobicContact CZ-CG2 4.19Å; R141-I145 VanDerWaalsContact O-CG1 3.31Å; R141-I145 WeakPolarHBondContact O-CG1 3.34Å; R141-I145 PolarHBondContact O-N 3.15Å; K142-I145 PolarHBondContact O-N 2.94Å; K143-I145 PolarHBondContact O-N 3.17Å; I145-G149 CarbonylContact O-C 3.59Å; I145-G149 WeakPolarHBondContact O-CA 3.49Å; I145-G149 PolarHBondContact O-N 2.94Å; I145-L150 HydrophobicContact CG2-CB 4.35Å; I145-L150 PolarHBondContact O-N 3.23Å; I145-I151 HydrophobicContact CG2-CD1 4.09Å; I145-I151 HydrophobicContact CG2-CG1 3.5Å |
| 146 | R | 89 | Confident | 88.9 | Confident | 149 Ų | 149 | 75 Ų | 75 | 56% | 0.562 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -67.5 | -51 | 179.2 | -178.7 | -167.2 | 65.9 | -170.4 | -0.5 | 111.9 | K142 K143 I144 H148 G149 | K142-R146 WeakPolarHBondContact O-CB 3.45Å; K142-R146 PolarHBondContact O-N 3.23Å; K143-R146 PolarHBondContact O-N 2.95Å; I144-R146 VanDerWaalsContact C-N 3.33Å; I144-R146 PolarHBondContact O-N 3.15Å; R146-H148 VanDerWaalsContact C-N 3.29Å; R146-H148 PolarHBondContact O-N 3.15Å; R146-G149 PolarHBondContact O-N 3.49Å |
| 147 | D | 90.6 | Very high | 88.2 | Confident | 60 Ų | 60 | 72.8 Ų | 72.8 | 32% | 0.321 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -66 | -33.7 | -172.7 | -66.2 | 1 | 0 | 0 | 0 | 110.9 | K143 I144 P183 | K143-D147 WeakPolarHBondContact CE-OD2 3.26Å; K143-D147 WeakPolarHBondContact CG-OD2 3.37Å; K143-D147 WeakPolarHBondContact O-CB 3.39Å; K143-D147 PolarHBondContact O-N 3.46Å; I144-D147 PolarHBondContact O-N 3.43Å; D147-P183 HydrophobicContact CB-CG 4.26Å; D147-P183 VanDerWaalsContact O-CB 3.26Å; D147-P183 WeakPolarHBondContact O-CB 3.42Å |
| 148 | H | 88.2 | Confident | 87.7 | Confident | 22 Ų | 22 | 75.3 Ų | 75.3 | 10% | 0.102 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91 | 3.9 | 172 | -68.8 | -97.4 | 0 | 0 | 0 | 113.6 | I144 R146 L150 F156 A178 V181 P183 | I144-H148 WeakPolarHBondContact O-CB 3.27Å; I144-H148 PolarHBondContact O-CD2 3.38Å; I144-H148 VanDerWaalsContact O-CD2 3.29Å; I144-H148 PolarHBondContact O-N 3.3Å; R146-H148 VanDerWaalsContact C-N 3.29Å; R146-H148 PolarHBondContact O-N 3.15Å; H148-L150 HydrophobicContact CB-CD1 4.04Å; H148-L150 HydrophobicContact CB-CD2 4.05Å; H148-L150 HydrophobicContact CB-CG 3.68Å; H148-L150 PolarHBondContact O-N 3.1Å; H148-L150 VanDerWaalsContact O-N 3.13Å; H148-F156 WeakPolarHBondContact O-CZ 3.46Å; H148-A178 PolarHBondContact NE2-O 3.2Å; H148-V181 PolarHBondContact CE1-O 3.1Å; H148-V181 PolarHBondContact NE2-O 3.24Å; H148-P183 VanDerWaalsContact CE1-CA 3.41Å; H148-P183 WeakPolarHBondContact CE1-CA 3.17Å |
| 149 | G | 87.1 | Confident | 87 | Confident | 33 Ų | 33 | 77.8 Ų | 77.8 | 34% | 0.34 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.5 | 14.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | I145 R146 I151 N152 F156 | I145-G149 CarbonylContact O-C 3.59Å; I145-G149 WeakPolarHBondContact O-CA 3.49Å; I145-G149 PolarHBondContact O-N 2.94Å; R146-G149 PolarHBondContact O-N 3.49Å; G149-I151 PolarHBondContact O-N 2.64Å; G149-N152 PolarHBondContact O-N 2.64Å; G149-F156 VanDerWaalsContact O-CE2 3.3Å; G149-F156 WeakPolarHBondContact O-CE2 3.5Å |
| 150 | L | 86.9 | Confident | 86.5 | Confident | 55 Ų | 55 | 73.5 Ų | 73.5 | 29% | 0.288 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -3.3 | -165.2 | -60.1 | 175.9 | 0 | 0 | 0 | 115.5 | I145 H148 N152 F156 | I145-L150 HydrophobicContact CG2-CB 4.35Å; I145-L150 PolarHBondContact O-N 3.23Å; H148-L150 HydrophobicContact CB-CD1 4.04Å; H148-L150 HydrophobicContact CB-CD2 4.05Å; H148-L150 HydrophobicContact CB-CG 3.68Å; H148-L150 PolarHBondContact O-N 3.1Å; H148-L150 VanDerWaalsContact O-N 3.13Å; L150-N152 VanDerWaalsContact C-N 3.34Å; L150-F156 HydrophobicContact CD2-CE2 4.22Å; L150-F156 HydrophobicContact CD2-CZ 4.29Å |
| 151 | I | 87.1 | Confident | 86.2 | Confident | 30 Ų | 30 | 77.1 Ų | 77.1 | 15% | 0.154 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -34.5 | 176.3 | -62.8 | 156 | 0 | 0 | 0 | 111.3 | M85 Y88 I145 G149 L153 | M85-I151 HydrophobicContact CE-CG2 3.72Å; M85-I151 HydrophobicContact CG-CG2 4.43Å; Y88-I151 HydrophobicContact CD1-CD1 4.04Å; Y88-I151 HydrophobicContact CD1-CG1 4.36Å; Y88-I151 HydrophobicContact CD1-CG2 3.59Å; Y88-I151 HydrophobicContact CD2-CD1 4.03Å; Y88-I151 HydrophobicContact CD2-CG1 4.34Å; Y88-I151 HydrophobicContact CE1-CD1 3.66Å; Y88-I151 HydrophobicContact CE1-CG1 4.45Å; Y88-I151 HydrophobicContact CE1-CG2 4.1Å; Y88-I151 HydrophobicContact CE2-CD1 3.66Å; Y88-I151 HydrophobicContact CE2-CG1 4.45Å; Y88-I151 HydrophobicContact CG-CD1 4.19Å; Y88-I151 HydrophobicContact CG-CG1 4.26Å; Y88-I151 HydrophobicContact CG-CG2 3.97Å; Y88-I151 VanDerWaalsContact CZ-CD1 3.44Å; I145-I151 HydrophobicContact CG2-CD1 4.09Å; I145-I151 HydrophobicContact CG2-CG1 3.5Å; G149-I151 PolarHBondContact O-N 2.64Å; I151-L153 PolarHBondContact O-N 2.81Å |
| 152 | N | 81.8 | Confident | 85.9 | Confident | 79 Ų | 79 | 81.1 Ų | 81.1 | 42% | 0.422 | 37% | 0.368 | S | S | . | . | trans | -97.1 | 76.9 | -175.1 | -165 | -26.2 | 0 | 0 | 0 | 111.7 | G149 L150 R154 K155 F156 | G149-N152 PolarHBondContact O-N 2.64Å; L150-N152 VanDerWaalsContact C-N 3.34Å; N152-R154 VanDerWaalsContact C-N 3.28Å; N152-R154 PolarHBondContact O-N 3.23Å; N152-K155 HydrophobicContact CB-CB 4.01Å; N152-K155 PolarHBondContact O-N 2.88Å; N152-K155 VanDerWaalsContact OD1-CB 3.27Å; N152-K155 WeakPolarHBondContact OD1-CB 3.49Å; N152-K155 PolarHBondContact OD1-N 3.05Å; N152-F156 WeakPolarHBondContact O-CD2 3.49Å; N152-F156 PolarHBondContact O-N 3.44Å; N152-F156 VanDerWaalsContact O-N 3.13Å | ||
| 153 | L | 79.1 | Confident | 85.8 | Confident | 74 Ų | 74 | 80.7 Ų | 80.7 | 39% | 0.387 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -56.6 | -41.5 | -177.4 | -175.4 | 62.5 | 0 | 0 | 0 | 112.6 | I151 F156 Q157 | I151-L153 PolarHBondContact O-N 2.81Å; L153-F156 WeakPolarHBondContact O-CB 3.4Å; L153-F156 PolarHBondContact O-N 3.48Å; L153-Q157 WeakPolarHBondContact O-CG 3.2Å; L153-Q157 PolarHBondContact O-N 3.5Å |
| 154 | R | 79.6 | Confident | 85.8 | Confident | 167 Ų | 167 | 78.4 Ų | 78.4 | 63% | 0.63 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -65.9 | -41.4 | -178.4 | -168.4 | 172.6 | -175.8 | 170.6 | 0.4 | 112.3 | N152 F156 Q157 L158 | N152-R154 VanDerWaalsContact C-N 3.28Å; N152-R154 PolarHBondContact O-N 3.23Å; R154-F156 VanDerWaalsContact C-N 3.29Å; R154-F156 PolarHBondContact O-N 3.04Å; R154-Q157 PolarHBondContact O-N 3.32Å; R154-L158 WeakPolarHBondContact O-CG 3.49Å; R154-L158 PolarHBondContact O-N 3.02Å; R154-L158 VanDerWaalsContact O-N 3.07Å |
| 155 | K | 80.4 | Confident | 85.8 | Confident | 130 Ų | 130 | 84.1 Ų | 84.1 | 57% | 0.565 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -60 | -43.4 | 173.1 | -175.1 | -179.5 | 179.3 | -175.5 | 0 | 110.3 | N152 L158 M159 | N152-K155 HydrophobicContact CB-CB 4.01Å; N152-K155 PolarHBondContact O-N 2.88Å; N152-K155 VanDerWaalsContact OD1-CB 3.27Å; N152-K155 WeakPolarHBondContact OD1-CB 3.49Å; N152-K155 PolarHBondContact OD1-N 3.05Å; K155-L158 PolarHBondContact O-N 3.43Å; K155-M159 HydrophobicContact CG-CG 4.47Å; K155-M159 WeakPolarHBondContact O-CG 3.47Å; K155-M159 PolarHBondContact O-N 2.98Å |
| 156 | F | 79.1 | Confident | 85.8 | Confident | 35 Ų | 35 | 88.6 Ų | 88.6 | 15% | 0.154 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -60.1 | -49.4 | 176 | -89 | -70.8 | 0 | 0 | 0 | 113.1 | H148 G149 L150 N152 L153 R154 L158 M159 E160 Y171 | H148-F156 WeakPolarHBondContact O-CZ 3.46Å; G149-F156 VanDerWaalsContact O-CE2 3.3Å; G149-F156 WeakPolarHBondContact O-CE2 3.5Å; L150-F156 HydrophobicContact CD2-CE2 4.22Å; L150-F156 HydrophobicContact CD2-CZ 4.29Å; N152-F156 WeakPolarHBondContact O-CD2 3.49Å; N152-F156 PolarHBondContact O-N 3.44Å; N152-F156 VanDerWaalsContact O-N 3.13Å; L153-F156 WeakPolarHBondContact O-CB 3.4Å; L153-F156 PolarHBondContact O-N 3.48Å; R154-F156 VanDerWaalsContact C-N 3.29Å; R154-F156 PolarHBondContact O-N 3.04Å; F156-L158 VanDerWaalsContact C-N 3.26Å; F156-L158 PolarHBondContact O-N 2.89Å; F156-M159 PolarHBondContact O-N 3.36Å; F156-M159 VanDerWaalsContact O-N 3.09Å; F156-E160 WeakPolarHBondContact O-CB 3.36Å; F156-E160 PolarHBondContact O-N 2.92Å; F156-Y171 HydrophobicContact CD1-CE1 4.37Å; F156-Y171 WeakPolarHBondContact CD1-OH 3.43Å; F156-Y171 WeakPolarHBondContact CE1-OH 3.25Å |
| 157 | Q | 82.4 | Confident | 85.9 | Confident | 88 Ų | 88 | 81.9 Ų | 81.9 | 41% | 0.411 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -59.5 | -37.3 | 179.3 | -71.2 | 173.2 | -10.5 | 0 | 0 | 112.4 | L153 R154 R161 | L153-Q157 WeakPolarHBondContact O-CG 3.2Å; L153-Q157 PolarHBondContact O-N 3.5Å; R154-Q157 PolarHBondContact O-N 3.32Å; Q157-R161 VanDerWaalsContact O-CG 3.26Å; Q157-R161 WeakPolarHBondContact O-CG 3.32Å; Q157-R161 PolarHBondContact O-N 3.48Å |
| 158 | L | 85.4 | Confident | 85.9 | Confident | 102 Ų | 102 | 81.8 Ų | 81.8 | 53% | 0.534 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -68.1 | -39.5 | 175.6 | -72.4 | 170.9 | 0 | 0 | 0 | 112.4 | R154 K155 F156 | R154-L158 WeakPolarHBondContact O-CG 3.49Å; R154-L158 PolarHBondContact O-N 3.02Å; R154-L158 VanDerWaalsContact O-N 3.07Å; K155-L158 PolarHBondContact O-N 3.43Å; F156-L158 VanDerWaalsContact C-N 3.26Å; F156-L158 PolarHBondContact O-N 2.89Å |
| 159 | M | 81.5 | Confident | 86 | Confident | 75 Ų | 75 | 84.7 Ų | 84.7 | 37% | 0.369 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -67.2 | -43.5 | 178.1 | -65.9 | -78.1 | -70.6 | 0 | 0 | 111.4 | K155 F156 R161 R162 | K155-M159 HydrophobicContact CG-CG 4.47Å; K155-M159 WeakPolarHBondContact O-CG 3.47Å; K155-M159 PolarHBondContact O-N 2.98Å; F156-M159 PolarHBondContact O-N 3.36Å; F156-M159 VanDerWaalsContact O-N 3.09Å; M159-R161 VanDerWaalsContact C-N 3.35Å; M159-R161 PolarHBondContact O-N 3.07Å; M159-R162 WeakPolarHBondContact O-CB 3.31Å; M159-R162 PolarHBondContact O-N 2.96Å; M159-R162 PolarHBondContact O-NE 3.32Å; M159-R162 PolarHBondContact SD-NH2 2.91Å |
| 160 | E | 83.6 | Confident | 86.1 | Confident | 30 Ų | 30 | 85.2 Ų | 85.2 | 14% | 0.14 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -62.3 | -38.7 | -179.6 | -173.8 | 165.4 | -155.7 | 0 | 0 | 112.2 | F156 R162 Y163 Q168 Y171 R175 | F156-E160 WeakPolarHBondContact O-CB 3.36Å; F156-E160 PolarHBondContact O-N 2.92Å; E160-R162 PolarHBondContact O-N 3.27Å; E160-Y163 PolarHBondContact O-N 3.4Å; E160-Y163 VanDerWaalsContact O-N 3.08Å; E160-Q168 HydrophobicContact CG-CB 4.36Å; E160-Q168 HydrophobicContact CG-CG 4.04Å; E160-Q168 WeakPolarHBondContact O-CG 3.45Å; E160-Q168 PolarHBondContact O-NE2 2.92Å; E160-Y171 HydrophobicContact CG-CD1 4.45Å; E160-R175 IonicContact OE2-NH2 3.64Å; E160-R175 PolarHBondContact OE2-NH2 3.45Å |
| 161 | R | 87.4 | Confident | 86.2 | Confident | 183 Ų | 183 | 83.6 Ų | 83.6 | 69% | 0.691 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -12.1 | 176.1 | -77.6 | 175.1 | -178.9 | -171.6 | 1.4 | 115 | Q157 M159 Y163 | Q157-R161 VanDerWaalsContact O-CG 3.26Å; Q157-R161 WeakPolarHBondContact O-CG 3.32Å; Q157-R161 PolarHBondContact O-N 3.48Å; M159-R161 VanDerWaalsContact C-N 3.35Å; M159-R161 PolarHBondContact O-N 3.07Å; R161-Y163 VanDerWaalsContact C-N 3.29Å |
| 162 | R | 88.4 | Confident | 86.2 | Confident | 160 Ų | 160 | 87.7 Ų | 87.7 | 60% | 0.604 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -17.8 | 177 | -61 | -175.7 | -60.5 | 178.4 | 18.1 | 112.4 | M159 E160 | M159-R162 WeakPolarHBondContact O-CB 3.31Å; M159-R162 PolarHBondContact O-N 2.96Å; M159-R162 PolarHBondContact O-NE 3.32Å; M159-R162 PolarHBondContact SD-NH2 2.91Å; E160-R162 PolarHBondContact O-N 3.27Å |
| 163 | Y | 89.1 | Confident | 86.5 | Confident | 35 Ų | 35 | 87.6 Ų | 87.6 | 14% | 0.137 | 40% | 0.402 | C | S | . | . | S | Bend | trans | -91.9 | 156.9 | -177.7 | -61.4 | -61 | 0 | 0 | 0 | 112.9 | E160 R161 V167 Q168 I190 E191 A194 | E160-Y163 PolarHBondContact O-N 3.4Å; E160-Y163 VanDerWaalsContact O-N 3.08Å; R161-Y163 VanDerWaalsContact C-N 3.29Å; Y163-V167 HydrophobicContact CD1-CG1 4.03Å; Y163-V167 HydrophobicContact CD2-CG1 4.33Å; Y163-V167 HydrophobicContact CG-CB 4.43Å; Y163-V167 HydrophobicContact CG-CG1 3.8Å; Y163-Q168 PolarHBondContact O-NE2 3.23Å; Y163-I190 HydrophobicContact CE2-CG2 4.21Å; Y163-E191 PolarHBondContact OH-OE1 3.18Å; Y163-A194 HydrophobicContact CD1-CB 3.47Å; Y163-A194 VanDerWaalsContact CD1-CB 3.47Å; Y163-A194 HydrophobicContact CE1-CB 3.31Å |
| 164 | P | 92.1 | Very high | 87 | Confident | 65 Ų | 65 | 85.5 Ų | 85.5 | 42% | 0.422 | 39% | 0.39 | S | S | . | . | trans | -57.9 | 160.5 | 165.9 | -21.9 | 33.5 | 0 | 0 | 0 | 112.3 | E166 V167 Q168 | P164-E166 VanDerWaalsContact C-N 3.27Å; P164-E166 WeakPolarHBondContact CB-OE2 3.2Å; P164-E166 PolarHBondContact O-N 3.11Å; P164-V167 HydrophobicContact CB-CG2 4.46Å; P164-V167 HydrophobicContact CG-CG2 4.45Å; P164-V167 PolarHBondContact O-N 3.22Å; P164-V167 VanDerWaalsContact O-N 3.11Å; P164-Q168 WeakPolarHBondContact O-CG 3.49Å; P164-Q168 PolarHBondContact O-N 2.89Å | ||
| 165 | K | 91.6 | Very high | 87.2 | Confident | 145 Ų | 145 | 80.9 Ų | 80.9 | 63% | 0.63 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -60.8 | -37.8 | -174.7 | -172 | 173.7 | 179 | -177.9 | 0 | 112.3 | V167 Q168 D169 | K165-V167 PolarHBondContact O-N 2.7Å; K165-Q168 PolarHBondContact O-N 2.6Å; K165-D169 VanDerWaalsContact O-CG 3.29Å; K165-D169 PolarHBondContact O-N 3.48Å |
| 166 | E | 91.6 | Very high | 87.5 | Confident | 144 Ų | 144 | 83.8 Ų | 83.8 | 67% | 0.673 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -60.2 | -37.9 | 178.9 | -59.7 | 74.8 | -162.8 | 0 | 0 | 111.7 | P164 L170 | P164-E166 VanDerWaalsContact C-N 3.27Å; P164-E166 WeakPolarHBondContact CB-OE2 3.2Å; P164-E166 PolarHBondContact O-N 3.11Å; E166-L170 PolarHBondContact O-N 3.2Å; E166-L170 VanDerWaalsContact O-N 3.09Å |
| 167 | V | 90.6 | Very high | 87.9 | Confident | 8 Ų | 8 | 86.6 Ų | 86.6 | 5% | 0.048 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -81.1 | -33.1 | -178.9 | -178.1 | 0 | 0 | 0 | 0 | 111 | Y163 P164 K165 L170 Y171 I190 H193 A194 | Y163-V167 HydrophobicContact CD1-CG1 4.03Å; Y163-V167 HydrophobicContact CD2-CG1 4.33Å; Y163-V167 HydrophobicContact CG-CB 4.43Å; Y163-V167 HydrophobicContact CG-CG1 3.8Å; P164-V167 HydrophobicContact CB-CG2 4.46Å; P164-V167 HydrophobicContact CG-CG2 4.45Å; P164-V167 PolarHBondContact O-N 3.22Å; P164-V167 VanDerWaalsContact O-N 3.11Å; K165-V167 PolarHBondContact O-N 2.7Å; V167-L170 PolarHBondContact O-N 3.23Å; V167-Y171 WeakPolarHBondContact O-CB 3.35Å; V167-Y171 PolarHBondContact O-N 2.8Å; V167-I190 HydrophobicContact CG1-CG2 4.31Å; V167-H193 WeakPolarHBondContact CG2-O 3.44Å; V167-A194 HydrophobicContact CG1-CB 4.41Å |
| 168 | Q | 90.3 | Very high | 88 | Confident | 57 Ų | 57 | 82.6 Ų | 82.6 | 27% | 0.266 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -61 | -47.4 | 169.5 | -67 | 177.7 | 24.2 | 0 | 0 | 111 | E160 Y163 P164 K165 L170 Y171 E172 | E160-Q168 HydrophobicContact CG-CB 4.36Å; E160-Q168 HydrophobicContact CG-CG 4.04Å; E160-Q168 WeakPolarHBondContact O-CG 3.45Å; E160-Q168 PolarHBondContact O-NE2 2.92Å; Y163-Q168 PolarHBondContact O-NE2 3.23Å; P164-Q168 WeakPolarHBondContact O-CG 3.49Å; P164-Q168 PolarHBondContact O-N 2.89Å; K165-Q168 PolarHBondContact O-N 2.6Å; Q168-L170 VanDerWaalsContact C-N 3.3Å; Q168-L170 PolarHBondContact O-N 3.21Å; Q168-Y171 WeakPolarHBondContact O-CB 3.26Å; Q168-Y171 PolarHBondContact O-N 2.72Å; Q168-Y171 VanDerWaalsContact O-N 3.08Å; Q168-E172 PolarHBondContact O-N 3.24Å |
| 169 | D | 90.3 | Very high | 88.1 | Confident | 83 Ų | 83 | 84.9 Ų | 84.9 | 44% | 0.444 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -62.6 | -38.2 | 177.9 | -66.7 | -16.2 | 0 | 0 | 0 | 111.4 | K165 T173 | K165-D169 VanDerWaalsContact O-CG 3.29Å; K165-D169 PolarHBondContact O-N 3.48Å; D169-T173 WeakPolarHBondContact O-CB 3.38Å; D169-T173 PolarHBondContact O-N 3.13Å; D169-T173 VanDerWaalsContact O-N 3.12Å; D169-T173 PolarHBondContact O-OG1 3.15Å |
| 170 | L | 90.3 | Very high | 88.4 | Confident | 44 Ų | 44 | 88 Ų | 88 | 23% | 0.23 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -62.9 | -45.6 | 171.6 | -178.9 | 64.5 | 0 | 0 | 0 | 111.3 | E166 V167 Q168 E172 T173 M174 F189 I190 H193 | E166-L170 PolarHBondContact O-N 3.2Å; E166-L170 VanDerWaalsContact O-N 3.09Å; V167-L170 PolarHBondContact O-N 3.23Å; Q168-L170 VanDerWaalsContact C-N 3.3Å; Q168-L170 PolarHBondContact O-N 3.21Å; L170-E172 PolarHBondContact O-N 3.44Å; L170-T173 WeakPolarHBondContact O-CB 3.31Å; L170-T173 PolarHBondContact O-N 2.96Å; L170-M174 HydrophobicContact CD1-CG 3.93Å; L170-M174 HydrophobicContact CG-CG 4.16Å; L170-M174 VanDerWaalsContact O-CB 3.32Å; L170-M174 WeakPolarHBondContact O-CB 3.29Å; L170-M174 VanDerWaalsContact O-CG 3.25Å; L170-M174 WeakPolarHBondContact O-CG 3.19Å; L170-M174 PolarHBondContact O-N 3.36Å; L170-F189 HydrophobicContact CD1-CE1 4.1Å; L170-F189 HydrophobicContact CD2-CE1 4.07Å; L170-F189 HydrophobicContact CG-CE1 4.28Å; L170-I190 HydrophobicContact CG-CD1 4.34Å; L170-H193 HydrophobicContact CD2-CB 3.72Å |
| 171 | Y | 88.6 | Confident | 88.6 | Confident | 21 Ų | 21 | 88.5 Ų | 88.5 | 8% | 0.082 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -59.8 | -46.1 | 179.5 | -165.3 | -88.1 | 0 | 0 | 0 | 111.7 | F156 E160 V167 Q168 T173 M174 R175 H186 I190 | F156-Y171 HydrophobicContact CD1-CE1 4.37Å; F156-Y171 WeakPolarHBondContact CD1-OH 3.43Å; F156-Y171 WeakPolarHBondContact CE1-OH 3.25Å; E160-Y171 HydrophobicContact CG-CD1 4.45Å; V167-Y171 WeakPolarHBondContact O-CB 3.35Å; V167-Y171 PolarHBondContact O-N 2.8Å; Q168-Y171 WeakPolarHBondContact O-CB 3.26Å; Q168-Y171 PolarHBondContact O-N 2.72Å; Q168-Y171 VanDerWaalsContact O-N 3.08Å; Y171-T173 VanDerWaalsContact C-N 3.32Å; Y171-T173 PolarHBondContact O-N 3.01Å; Y171-M174 PolarHBondContact O-N 2.92Å; Y171-R175 WeakPolarHBondContact O-CB 3.18Å; Y171-R175 PolarHBondContact O-N 2.95Å; Y171-H186 AromaticContact CE2-CE1 3.99Å; Y171-I190 HydrophobicContact CD2-CB 4.16Å; Y171-I190 HydrophobicContact CD2-CD1 3.73Å; Y171-I190 HydrophobicContact CD2-CG1 3.58Å; Y171-I190 HydrophobicContact CD2-CG2 3.6Å; Y171-I190 HydrophobicContact CE2-CB 4.47Å; Y171-I190 HydrophobicContact CE2-CD1 4.49Å; Y171-I190 HydrophobicContact CE2-CG1 3.91Å; Y171-I190 HydrophobicContact CE2-CG2 4.13Å; Y171-I190 HydrophobicContact CG-CD1 4.4Å |
| 172 | E | 87 | Confident | 88.6 | Confident | 117 Ų | 117 | 81.1 Ų | 81.1 | 55% | 0.547 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -61.2 | -41.5 | 177.2 | -172.5 | 171.9 | -174.8 | 0 | 0 | 111.8 | Q168 L170 | Q168-E172 PolarHBondContact O-N 3.24Å; L170-E172 PolarHBondContact O-N 3.44Å |
| 173 | T | 89.3 | Confident | 88.7 | Confident | 77 Ų | 77 | 75.4 Ų | 75.4 | 47% | 0.472 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -64.1 | -47.5 | 175.2 | -57.1 | 0 | 0 | 0 | 0 | 111.1 | D169 L170 Y171 R175 R176 F177 | D169-T173 WeakPolarHBondContact O-CB 3.38Å; D169-T173 PolarHBondContact O-N 3.13Å; D169-T173 VanDerWaalsContact O-N 3.12Å; D169-T173 PolarHBondContact O-OG1 3.15Å; L170-T173 WeakPolarHBondContact O-CB 3.31Å; L170-T173 PolarHBondContact O-N 2.96Å; Y171-T173 VanDerWaalsContact C-N 3.32Å; Y171-T173 PolarHBondContact O-N 3.01Å; T173-R175 VanDerWaalsContact C-N 3.31Å; T173-R175 PolarHBondContact O-N 3.41Å; T173-R176 PolarHBondContact O-N 3.42Å; T173-F177 WeakPolarHBondContact O-CD2 3.28Å |
| 174 | M | 88.5 | Confident | 88.7 | Confident | 29 Ų | 29 | 78 Ų | 78 | 14% | 0.143 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -71.1 | -23.7 | -177.2 | -71.1 | -57.3 | -66.3 | 0 | 0 | 113.4 | L170 Y171 R176 F177 A178 H186 F189 I190 | L170-M174 HydrophobicContact CD1-CG 3.93Å; L170-M174 HydrophobicContact CG-CG 4.16Å; L170-M174 VanDerWaalsContact O-CB 3.32Å; L170-M174 WeakPolarHBondContact O-CB 3.29Å; L170-M174 VanDerWaalsContact O-CG 3.25Å; L170-M174 WeakPolarHBondContact O-CG 3.19Å; L170-M174 PolarHBondContact O-N 3.36Å; Y171-M174 PolarHBondContact O-N 2.92Å; M174-R176 PolarHBondContact O-N 2.97Å; M174-R176 VanDerWaalsContact O-N 3.17Å; M174-F177 HydrophobicContact CE-CB 4.44Å; M174-F177 WeakPolarHBondContact O-CA 3.42Å; M174-F177 WeakPolarHBondContact O-CB 3.43Å; M174-F177 PolarHBondContact O-N 2.92Å; M174-F177 HydrophobicContact SD-CD2 4.14Å; M174-A178 PolarHBondContact O-N 3.11Å; M174-H186 PolarHBondContact O-NE2 3.11Å; M174-F189 HydrophobicContact CE-CD1 3.72Å; M174-F189 HydrophobicContact CE-CE1 3.68Å; M174-F189 HydrophobicContact CE-CG 4.41Å; M174-F189 HydrophobicContact CE-CZ 4.32Å; M174-F189 HydrophobicContact CG-CD1 4.08Å; M174-F189 HydrophobicContact CG-CE1 3.66Å; M174-F189 HydrophobicContact SD-CD1 4.35Å; M174-F189 HydrophobicContact SD-CE1 3.77Å; M174-F189 HydrophobicContact SD-CZ 4.38Å; M174-I190 HydrophobicContact CB-CD1 4Å; M174-I190 HydrophobicContact CG-CD1 4.16Å |
| 175 | R | 84.6 | Confident | 88.6 | Confident | 70 Ų | 70 | 81 Ų | 81 | 26% | 0.264 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -55.9 | -33.3 | 176.7 | -170.2 | -176.6 | -70.2 | -116.8 | 9.2 | 112.2 | E160 Y171 T173 F177 A178 | E160-R175 IonicContact OE2-NH2 3.64Å; E160-R175 PolarHBondContact OE2-NH2 3.45Å; Y171-R175 WeakPolarHBondContact O-CB 3.18Å; Y171-R175 PolarHBondContact O-N 2.95Å; T173-R175 VanDerWaalsContact C-N 3.31Å; T173-R175 PolarHBondContact O-N 3.41Å; R175-F177 PolarHBondContact O-N 3.03Å; R175-A178 VanDerWaalsContact O-CB 3.26Å; R175-A178 WeakPolarHBondContact O-CB 3.42Å; R175-A178 PolarHBondContact O-N 3.49Å |
| 176 | R | 85.6 | Confident | 88.4 | Confident | 191 Ų | 191 | 74.4 Ų | 74.4 | 72% | 0.721 | 36% | 0.362 | S | S | * | . | G | 310 helix | trans | -66.1 | -29 | 177 | -56.9 | 178.4 | -173.2 | -166.6 | 1.5 | 112.2 | T173 M174 | T173-R176 PolarHBondContact O-N 3.42Å; M174-R176 PolarHBondContact O-N 2.97Å; M174-R176 VanDerWaalsContact O-N 3.17Å |
| 177 | F | 88.1 | Confident | 88.2 | Confident | 94 Ų | 94 | 71.6 Ų | 71.6 | 41% | 0.412 | 35% | 0.351 | S | S | . | . | G | 310 helix | trans | -88.5 | -1.5 | -179.4 | -62.1 | -80.4 | 0 | 0 | 0 | 113.8 | T173 M174 R175 R179 I180 V181 | T173-F177 WeakPolarHBondContact O-CD2 3.28Å; M174-F177 HydrophobicContact CE-CB 4.44Å; M174-F177 WeakPolarHBondContact O-CA 3.42Å; M174-F177 WeakPolarHBondContact O-CB 3.43Å; M174-F177 PolarHBondContact O-N 2.92Å; M174-F177 HydrophobicContact SD-CD2 4.14Å; R175-F177 PolarHBondContact O-N 3.03Å; F177-R179 PolarHBondContact O-N 3.44Å; F177-I180 HydrophobicContact CD1-CD1 4.26Å; F177-I180 PolarHBondContact O-N 3.25Å; F177-V181 PolarHBondContact O-N 3.14Å |
| 178 | A | 83.9 | Confident | 88.2 | Confident | 5 Ų | 5 | 78.1 Ų | 78.1 | 4% | 0.041 | 38% | 0.379 | C | S | . | . | G | 310 helix | trans | -58.4 | -13 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | H148 M174 R175 I180 | H148-A178 PolarHBondContact NE2-O 3.2Å; M174-A178 PolarHBondContact O-N 3.11Å; R175-A178 VanDerWaalsContact O-CB 3.26Å; R175-A178 WeakPolarHBondContact O-CB 3.42Å; R175-A178 PolarHBondContact O-N 3.49Å; A178-I180 VanDerWaalsContact C-N 3.28Å |
| 179 | R | 87.3 | Confident | 88.2 | Confident | 150 Ų | 150 | 79.1 Ų | 79.1 | 57% | 0.566 | 38% | 0.383 | S | S | * | . | G | 310 helix | trans | -79.2 | -11.5 | 173.2 | -58.4 | -178.7 | -175.2 | 178.4 | 2.3 | 113.9 | I144 F177 | I144-R179 HydrophobicContact CD1-CB 4.2Å; I144-R179 HydrophobicContact CD1-CG 4.34Å; F177-R179 PolarHBondContact O-N 3.44Å |
| 180 | I | 88.1 | Confident | 88.2 | Confident | 139 Ų | 139 | 75.2 Ų | 75.2 | 71% | 0.713 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.2 | -43.9 | -171.5 | -53.1 | -179.3 | 0 | 0 | 0 | 110.1 | F177 A178 | F177-I180 HydrophobicContact CD1-CD1 4.26Å; F177-I180 PolarHBondContact O-N 3.25Å; A178-I180 VanDerWaalsContact C-N 3.28Å |
| 181 | V | 87.7 | Confident | 88 | Confident | 41 Ų | 41 | 78.4 Ų | 78.4 | 25% | 0.248 | 38% | 0.375 | C | S | . | . | S | Bend | trans | -93.5 | 136.1 | -178.3 | -176 | 0 | 0 | 0 | 0 | 109.6 | H148 F177 E185 H186 | H148-V181 PolarHBondContact CE1-O 3.1Å; H148-V181 PolarHBondContact NE2-O 3.24Å; F177-V181 PolarHBondContact O-N 3.14Å; V181-E185 HydrophobicContact CG1-CB 3.59Å; V181-H186 HydrophobicContact CG1-CB 4.07Å |
| 182 | G | 88.9 | Confident | 88.1 | Confident | 29 Ų | 29 | 81.4 Ų | 81.4 | 30% | 0.299 | 40% | 0.399 | S | S | . | . | trans | -66.5 | 159.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | V184 E185 H186 | G182-V184 PolarHBondContact O-N 2.96Å; G182-E185 PolarHBondContact O-N 3.46Å; G182-H186 WeakPolarHBondContact O-CB 3.41Å; G182-H186 PolarHBondContact O-N 3.45Å | ||
| 183 | P | 88.6 | Confident | 88 | Confident | 40 Ų | 40 | 80.3 Ų | 80.3 | 26% | 0.26 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -59.7 | -44.8 | -173.8 | 23.3 | -34.6 | 0 | 0 | 0 | 112.9 | D147 H148 E185 H186 D187 | D147-P183 HydrophobicContact CB-CG 4.26Å; D147-P183 VanDerWaalsContact O-CB 3.26Å; D147-P183 WeakPolarHBondContact O-CB 3.42Å; H148-P183 VanDerWaalsContact CE1-CA 3.41Å; H148-P183 WeakPolarHBondContact CE1-CA 3.17Å; P183-E185 PolarHBondContact O-N 2.85Å; P183-H186 PolarHBondContact O-N 3.1Å; P183-D187 WeakPolarHBondContact O-CB 3.33Å; P183-D187 VanDerWaalsContact O-CG 3.28Å; P183-D187 PolarHBondContact O-N 3.01Å |
| 184 | V | 89.5 | Confident | 87.5 | Confident | 88 Ų | 88 | 80.2 Ų | 80.2 | 53% | 0.533 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -65.8 | -38.3 | 179.7 | 178.1 | 0 | 0 | 0 | 0 | 112.2 | G182 K188 | G182-V184 PolarHBondContact O-N 2.96Å; V184-K188 HydrophobicContact CG1-CD 4.2Å; V184-K188 WeakPolarHBondContact O-CB 3.31Å; V184-K188 WeakPolarHBondContact O-CG 3.25Å; V184-K188 PolarHBondContact O-N 3.37Å |
| 185 | E | 90.3 | Very high | 87.4 | Confident | 130 Ų | 130 | 82.8 Ų | 82.8 | 61% | 0.607 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -72.2 | -38.7 | 179 | -68.5 | 174.2 | 172.4 | 0 | 0 | 111.2 | V181 G182 P183 K188 F189 | V181-E185 HydrophobicContact CG1-CB 3.59Å; G182-E185 PolarHBondContact O-N 3.46Å; P183-E185 PolarHBondContact O-N 2.85Å; E185-K188 PolarHBondContact O-N 3.07Å; E185-F189 WeakPolarHBondContact O-CB 3.29Å; E185-F189 PolarHBondContact O-N 3.1Å |
| 186 | H | 88.3 | Confident | 87.6 | Confident | 5 Ų | 5 | 83.5 Ų | 83.5 | 2% | 0.023 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -61.9 | -50.1 | 174.7 | -176.9 | -88.4 | 0 | 0 | 0 | 110.6 | Y171 M174 V181 G182 P183 K188 F189 I190 | Y171-H186 AromaticContact CE2-CE1 3.99Å; M174-H186 PolarHBondContact O-NE2 3.11Å; V181-H186 HydrophobicContact CG1-CB 4.07Å; G182-H186 WeakPolarHBondContact O-CB 3.41Å; G182-H186 PolarHBondContact O-N 3.45Å; P183-H186 PolarHBondContact O-N 3.1Å; H186-K188 PolarHBondContact O-N 3.05Å; H186-F189 WeakPolarHBondContact O-CB 3.35Å; H186-F189 PolarHBondContact O-N 3.43Å; H186-F189 VanDerWaalsContact O-N 3.17Å; H186-I190 WeakPolarHBondContact O-CG1 3.47Å; H186-I190 PolarHBondContact O-N 3.26Å |
| 187 | D | 87.6 | Confident | 87.7 | Confident | 85 Ų | 85 | 77.5 Ų | 77.5 | 46% | 0.455 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -60.1 | -46 | 177.6 | -70.7 | -17.8 | 0 | 0 | 0 | 111.5 | P183 F189 I190 E191 | P183-D187 WeakPolarHBondContact O-CB 3.33Å; P183-D187 VanDerWaalsContact O-CG 3.28Å; P183-D187 PolarHBondContact O-N 3.01Å; D187-F189 VanDerWaalsContact C-N 3.3Å; D187-F189 PolarHBondContact O-N 2.98Å; D187-I190 PolarHBondContact O-N 3.47Å; D187-E191 WeakPolarHBondContact O-CB 3.43Å; D187-E191 VanDerWaalsContact O-CG 3.26Å; D187-E191 WeakPolarHBondContact O-CG 3.44Å; D187-E191 PolarHBondContact O-N 2.73Å |
| 188 | K | 90.3 | Very high | 87.7 | Confident | 145 Ų | 145 | 76.5 Ų | 76.5 | 63% | 0.63 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -59.1 | -39.7 | 176 | -77.9 | 173.8 | -178.5 | 178.7 | 0 | 112.8 | V184 E185 H186 S192 | V184-K188 HydrophobicContact CG1-CD 4.2Å; V184-K188 WeakPolarHBondContact O-CB 3.31Å; V184-K188 WeakPolarHBondContact O-CG 3.25Å; V184-K188 PolarHBondContact O-N 3.37Å; E185-K188 PolarHBondContact O-N 3.07Å; H186-K188 PolarHBondContact O-N 3.05Å; K188-S192 PolarHBondContact O-N 3.07Å |
| 189 | F | 90.3 | Very high | 87.9 | Confident | 78 Ų | 78 | 81 Ų | 81 | 34% | 0.342 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -66.8 | -38.9 | 178.6 | 177 | -91.7 | 0 | 0 | 0 | 111.8 | L170 M174 E185 H186 D187 S192 H193 | L170-F189 HydrophobicContact CD1-CE1 4.1Å; L170-F189 HydrophobicContact CD2-CE1 4.07Å; L170-F189 HydrophobicContact CG-CE1 4.28Å; M174-F189 HydrophobicContact CE-CD1 3.72Å; M174-F189 HydrophobicContact CE-CE1 3.68Å; M174-F189 HydrophobicContact CE-CG 4.41Å; M174-F189 HydrophobicContact CE-CZ 4.32Å; M174-F189 HydrophobicContact CG-CD1 4.08Å; M174-F189 HydrophobicContact CG-CE1 3.66Å; M174-F189 HydrophobicContact SD-CD1 4.35Å; M174-F189 HydrophobicContact SD-CE1 3.77Å; M174-F189 HydrophobicContact SD-CZ 4.38Å; E185-F189 WeakPolarHBondContact O-CB 3.29Å; E185-F189 PolarHBondContact O-N 3.1Å; H186-F189 WeakPolarHBondContact O-CB 3.35Å; H186-F189 PolarHBondContact O-N 3.43Å; H186-F189 VanDerWaalsContact O-N 3.17Å; D187-F189 VanDerWaalsContact C-N 3.3Å; D187-F189 PolarHBondContact O-N 2.98Å; F189-S192 PolarHBondContact O-OG 2.75Å; F189-H193 AromaticContact CE2-CE1 3.7Å; F189-H193 AromaticContact CZ-CE1 3.72Å; F189-H193 PolarHBondContact O-ND1 3.25Å |
| 190 | I | 88.6 | Confident | 87.9 | Confident | 1 Ų | 1 | 76.4 Ų | 76.4 | 1% | 0.005 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -68 | -48.8 | 175.7 | -63.6 | -59.2 | 0 | 0 | 0 | 110.5 | Y163 V167 L170 Y171 M174 H186 D187 S192 H193 A194 | Y163-I190 HydrophobicContact CE2-CG2 4.21Å; V167-I190 HydrophobicContact CG1-CG2 4.31Å; L170-I190 HydrophobicContact CG-CD1 4.34Å; Y171-I190 HydrophobicContact CD2-CB 4.16Å; Y171-I190 HydrophobicContact CD2-CD1 3.73Å; Y171-I190 HydrophobicContact CD2-CG1 3.58Å; Y171-I190 HydrophobicContact CD2-CG2 3.6Å; Y171-I190 HydrophobicContact CE2-CB 4.47Å; Y171-I190 HydrophobicContact CE2-CD1 4.49Å; Y171-I190 HydrophobicContact CE2-CG1 3.91Å; Y171-I190 HydrophobicContact CE2-CG2 4.13Å; Y171-I190 HydrophobicContact CG-CD1 4.4Å; M174-I190 HydrophobicContact CB-CD1 4Å; M174-I190 HydrophobicContact CG-CD1 4.16Å; H186-I190 WeakPolarHBondContact O-CG1 3.47Å; H186-I190 PolarHBondContact O-N 3.26Å; D187-I190 PolarHBondContact O-N 3.47Å; I190-S192 PolarHBondContact O-N 3.13Å; I190-H193 PolarHBondContact O-N 3.43Å; I190-A194 PolarHBondContact O-N 2.9Å |
| 191 | E | 88 | Confident | 87.9 | Confident | 111 Ų | 111 | 71.9 Ų | 71.9 | 52% | 0.519 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -62.8 | -25.1 | -178.9 | -69.9 | -77.9 | -176.9 | 0 | 0 | 112.6 | Y163 D187 H193 A194 | Y163-E191 PolarHBondContact OH-OE1 3.18Å; D187-E191 WeakPolarHBondContact O-CB 3.43Å; D187-E191 VanDerWaalsContact O-CG 3.26Å; D187-E191 WeakPolarHBondContact O-CG 3.44Å; D187-E191 PolarHBondContact O-N 2.73Å; E191-H193 PolarHBondContact O-N 3.43Å; E191-A194 PolarHBondContact O-N 3.07Å |
| 192 | S | 89.7 | Confident | 87.9 | Confident | 84 Ų | 84 | 74.3 Ų | 74.3 | 59% | 0.587 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -13 | 174.2 | 74.6 | 0 | 0 | 0 | 0 | 114 | K188 F189 I190 | K188-S192 PolarHBondContact O-N 3.07Å; F189-S192 PolarHBondContact O-OG 2.75Å; I190-S192 PolarHBondContact O-N 3.13Å |
| 193 | H | 84.8 | Confident | 87.9 | Confident | 94 Ų | 94 | 78.1 Ų | 78.1 | 44% | 0.435 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.8 | -6.7 | 178.6 | -62.7 | 83.8 | 0 | 0 | 0 | 112.6 | V167 L170 F189 I190 E191 | V167-H193 WeakPolarHBondContact CG2-O 3.44Å; L170-H193 HydrophobicContact CD2-CB 3.72Å; F189-H193 AromaticContact CE2-CE1 3.7Å; F189-H193 AromaticContact CZ-CE1 3.72Å; F189-H193 PolarHBondContact O-ND1 3.25Å; I190-H193 PolarHBondContact O-N 3.43Å; E191-H193 PolarHBondContact O-N 3.43Å |
| 194 | A | 78.3 | Confident | 87.8 | Confident | 76 Ų | 76 | 81.5 Ų | 81.5 | 63% | 0.628 | 43% | 0.433 | S | S | * | . | trans | -75.5 | 0 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y163 V167 I190 E191 | Y163-A194 HydrophobicContact CD1-CB 3.47Å; Y163-A194 VanDerWaalsContact CD1-CB 3.47Å; Y163-A194 HydrophobicContact CE1-CB 3.31Å; V167-A194 HydrophobicContact CG1-CB 4.41Å; I190-A194 PolarHBondContact O-N 2.9Å; E191-A194 PolarHBondContact O-N 3.07Å |
Retrieved 194 of 194 residues in 167 ms
(Link to these results)