| 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 | 83.1 | Confident | 84.8 | Confident | 84 Ų | 84 | 78.2 Ų | 78.2 | 41% | 0.414 | 41% | 0.414 | S | S | . | . | 0 | -49.9 | 0 | -83.9 | 169.6 | 116.1 | 0 | 0 | 112.8 | I3 Y4 K5 L74 L76 E77 | M1-I3 PolarHBondContact O-N 3.19Å; M1-Y4 WeakPolarHBondContact O-CB 3.4Å; M1-Y4 PolarHBondContact O-N 3.16Å; M1-Y4 VanDerWaalsContact O-N 3.13Å; M1-K5 PolarHBondContact O-N 3.19Å; M1-L74 HydrophobicContact CE-CB 3.52Å; M1-L74 HydrophobicContact CE-CD2 3.52Å; M1-L74 HydrophobicContact CE-CG 4.16Å; M1-L74 HydrophobicContact CG-CD2 4.42Å; M1-L76 HydrophobicContact CE-CB 3.62Å; M1-L76 HydrophobicContact CE-CD2 3.8Å; M1-L76 HydrophobicContact CE-CG 3.95Å; M1-L76 HydrophobicContact SD-CD2 3.97Å; M1-L76 HydrophobicContact SD-CG 4.38Å; M1-E77 HydrophobicContact CE-CB 4.27Å; M1-E77 HydrophobicContact CE-CG 3.52Å; M1-E77 HydrophobicContact SD-CG 3.54Å; M1-E77 VanDerWaalsContact SD-CG 3.54Å | |||
| 2 | F | 83.5 | Confident | 85.1 | Confident | 34 Ų | 34 | 76.7 Ų | 76.7 | 15% | 0.149 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -57.3 | -41.8 | 179 | -72.1 | -77.2 | 0 | 0 | 0 | 115.2 | Y4 K5 G6 L16 D19 V20 L23 Y66 Q70 | F2-Y4 VanDerWaalsContact C-N 3.34Å; F2-Y4 PolarHBondContact O-N 3.02Å; F2-K5 PolarHBondContact O-N 3.49Å; F2-G6 PolarHBondContact O-N 3.25Å; F2-L16 HydrophobicContact CB-CD1 4.47Å; F2-L16 HydrophobicContact CD1-CD1 3.96Å; F2-D19 HydrophobicContact CD1-CB 4.29Å; F2-D19 HydrophobicContact CE1-CB 3.49Å; F2-D19 VanDerWaalsContact CE1-CB 3.49Å; F2-D19 HydrophobicContact CZ-CB 4.13Å; F2-V20 HydrophobicContact CB-CG2 4.5Å; F2-V20 HydrophobicContact CD1-CG2 4.38Å; F2-V20 HydrophobicContact CG-CG2 4.37Å; F2-L23 HydrophobicContact CD2-CD2 4.02Å; F2-L23 HydrophobicContact CE2-CD1 4.24Å; F2-L23 HydrophobicContact CE2-CD2 3.8Å; F2-L23 HydrophobicContact CE2-CG 4.48Å; F2-Y66 HydrophobicContact CZ-CD1 4.48Å; F2-Y66 AromaticContact CZ-CE1 3.89Å; F2-Y66 HydrophobicContact CZ-CE1 3.89Å; F2-Q70 VanDerWaalsContact CE1-NE2 3.31Å |
| 3 | I | 84.9 | Confident | 85.2 | Confident | 139 Ų | 139 | 76.1 Ų | 76.1 | 71% | 0.713 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -60.5 | -43.4 | 175 | -60.4 | 172.5 | 0 | 0 | 0 | 111.3 | M1 K5 G6 I7 | M1-I3 PolarHBondContact O-N 3.19Å; I3-K5 PolarHBondContact O-N 3.46Å; I3-G6 PolarHBondContact O-N 3.35Å; I3-I7 HydrophobicContact CG2-CD1 3.76Å; I3-I7 WeakPolarHBondContact O-CG1 3.27Å; I3-I7 PolarHBondContact O-N 3.38Å |
| 4 | Y | 87.5 | Confident | 85.5 | Confident | 131 Ų | 131 | 80.4 Ų | 80.4 | 51% | 0.514 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -62.2 | -42.9 | 176.9 | 173.4 | -93.8 | 0 | 0 | 0 | 111.7 | M1 F2 I7 L8 L74 | M1-Y4 WeakPolarHBondContact O-CB 3.4Å; M1-Y4 PolarHBondContact O-N 3.16Å; M1-Y4 VanDerWaalsContact O-N 3.13Å; F2-Y4 VanDerWaalsContact C-N 3.34Å; F2-Y4 PolarHBondContact O-N 3.02Å; Y4-I7 PolarHBondContact O-N 3.48Å; Y4-L8 HydrophobicContact CE1-CD2 4.13Å; Y4-L8 HydrophobicContact CE2-CD2 3.86Å; Y4-L8 VanDerWaalsContact CZ-CD2 3.46Å; Y4-L8 WeakPolarHBondContact O-CB 3.33Å; Y4-L8 PolarHBondContact O-N 3.04Å; Y4-L8 WeakPolarHBondContact OH-CD2 3.49Å; Y4-L74 HydrophobicContact CD1-CD2 4.11Å; Y4-L74 HydrophobicContact CE1-CD2 4.2Å |
| 5 | K | 84.7 | Confident | 85.8 | Confident | 0 Ų | 0 | 79.1 Ų | 79.1 | 0% | 0 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -63.5 | -42.9 | 176.8 | -64.7 | -171.5 | -156.3 | -165.7 | 0 | 112.4 | M1 F2 I3 I7 L9 Y11 Q70 F72 L74 E77 | M1-K5 PolarHBondContact O-N 3.19Å; F2-K5 PolarHBondContact O-N 3.49Å; I3-K5 PolarHBondContact O-N 3.46Å; K5-I7 VanDerWaalsContact C-N 3.28Å; K5-I7 PolarHBondContact O-N 3.36Å; K5-L9 HydrophobicContact CB-CD1 4.27Å; K5-L9 HydrophobicContact CG-CD1 4.31Å; K5-L9 WeakPolarHBondContact O-CB 3.33Å; K5-L9 PolarHBondContact O-N 3.21Å; K5-Y11 HydrophobicContact CB-CD2 4.2Å; K5-Y11 HydrophobicContact CD-CD2 4.47Å; K5-Y11 HydrophobicContact CD-CE2 4.07Å; K5-Q70 VanDerWaalsContact NZ-CD 3.28Å; K5-F72 PolarHBondContact NZ-O 3.44Å; K5-L74 HydrophobicContact CD-CD1 4.05Å; K5-L74 HydrophobicContact CG-CD1 4.06Å; K5-E77 WeakPolarHBondContact CE-OE1 3.45Å; K5-E77 WeakPolarHBondContact CE-OE2 3.33Å; K5-E77 IonicContact NZ-OE1 3.04Å; K5-E77 PolarHBondContact NZ-OE1 3.45Å; K5-E77 IonicContact NZ-OE2 2.62Å; K5-E77 PolarHBondContact NZ-OE2 3.04Å |
| 6 | G | 84.7 | Confident | 86 | Confident | 38 Ų | 38 | 76.8 Ų | 76.8 | 39% | 0.392 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -68.5 | -22.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | F2 I3 | F2-G6 PolarHBondContact O-N 3.25Å; I3-G6 PolarHBondContact O-N 3.35Å |
| 7 | I | 87.1 | Confident | 86.3 | Confident | 137 Ų | 137 | 77.6 Ų | 77.6 | 70% | 0.703 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -91.7 | -41.4 | 178 | -62.2 | 166.9 | 0 | 0 | 0 | 111.3 | I3 Y4 K5 | I3-I7 HydrophobicContact CG2-CD1 3.76Å; I3-I7 WeakPolarHBondContact O-CG1 3.27Å; I3-I7 PolarHBondContact O-N 3.38Å; Y4-I7 PolarHBondContact O-N 3.48Å; K5-I7 VanDerWaalsContact C-N 3.28Å; K5-I7 PolarHBondContact O-N 3.36Å |
| 8 | L | 87.8 | Confident | 86.6 | Confident | 112 Ų | 112 | 78.2 Ų | 78.2 | 59% | 0.586 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -97.2 | -29.5 | -167.7 | -152.9 | 82.8 | 0 | 0 | 0 | 114.1 | Y4 | Y4-L8 HydrophobicContact CE1-CD2 4.13Å; Y4-L8 HydrophobicContact CE2-CD2 3.86Å; Y4-L8 VanDerWaalsContact CZ-CD2 3.46Å; Y4-L8 WeakPolarHBondContact O-CB 3.33Å; Y4-L8 PolarHBondContact O-N 3.04Å; Y4-L8 WeakPolarHBondContact OH-CD2 3.49Å |
| 9 | L | 83.4 | Confident | 86.9 | Confident | 43 Ų | 43 | 74.1 Ų | 74.1 | 23% | 0.225 | 41% | 0.411 | C | S | . | . | S | Bend | trans | -105.5 | 147.6 | -179 | -67.5 | 100.6 | 0 | 0 | 0 | 110.4 | K5 Y11 F72 | K5-L9 HydrophobicContact CB-CD1 4.27Å; K5-L9 HydrophobicContact CG-CD1 4.31Å; K5-L9 WeakPolarHBondContact O-CB 3.33Å; K5-L9 PolarHBondContact O-N 3.21Å; L9-Y11 PolarHBondContact O-N 3.23Å; L9-F72 HydrophobicContact CD2-CB 4.07Å; L9-F72 HydrophobicContact CD2-CD1 3.45Å; L9-F72 VanDerWaalsContact CD2-CD1 3.45Å; L9-F72 HydrophobicContact CD2-CD2 4.18Å; L9-F72 HydrophobicContact CD2-CE1 3.81Å; L9-F72 HydrophobicContact CD2-CE2 4.46Å; L9-F72 HydrophobicContact CD2-CG 3.65Å; L9-F72 HydrophobicContact CD2-CZ 4.29Å |
| 10 | P | 84.3 | Confident | 87.1 | Confident | 119 Ų | 119 | 73.2 Ų | 73.2 | 77% | 0.773 | 41% | 0.407 | S | S | * | . | trans | -71.5 | 70.8 | 170.6 | 31.4 | -34.5 | 0 | 0 | 0 | 109.7 | ||||
| 11 | Y | 82 | Confident | 87.5 | Confident | 23 Ų | 23 | 73.8 Ų | 73.8 | 9% | 0.09 | 41% | 0.413 | C | S | . | . | trans | -87.3 | 121.5 | -179.6 | -144.5 | -74.1 | 0 | 0 | 0 | 109 | K5 L9 A13 N15 L16 D19 T71 F72 | K5-Y11 HydrophobicContact CB-CD2 4.2Å; K5-Y11 HydrophobicContact CD-CD2 4.47Å; K5-Y11 HydrophobicContact CD-CE2 4.07Å; L9-Y11 PolarHBondContact O-N 3.23Å; Y11-A13 PolarHBondContact O-N 3.35Å; Y11-N15 HydrophobicContact CD1-CB 4.18Å; Y11-N15 HydrophobicContact CE1-CB 3.64Å; Y11-L16 HydrophobicContact CD1-CB 3.88Å; Y11-L16 HydrophobicContact CD1-CD1 4.41Å; Y11-L16 HydrophobicContact CE1-CB 4.26Å; Y11-D19 PolarHBondContact OH-OD2 3.01Å; Y11-T71 WeakPolarHBondContact OH-CB 3.48Å; Y11-T71 PolarHBondContact OH-OG1 2.93Å; Y11-F72 HydrophobicContact CD2-CB 4.41Å; Y11-F72 AromaticContact CD2-CD2 3.45Å; Y11-F72 HydrophobicContact CD2-CD2 3.45Å; Y11-F72 VanDerWaalsContact CD2-CD2 3.45Å; Y11-F72 HydrophobicContact CD2-CE2 4.17Å; Y11-F72 HydrophobicContact CD2-CG 4.35Å; Y11-F72 HydrophobicContact CE2-CB 3.94Å; Y11-F72 AromaticContact CE2-CD2 3.55Å; Y11-F72 HydrophobicContact CE2-CD2 3.55Å; Y11-F72 HydrophobicContact CE2-CG 4.23Å; Y11-F72 HydrophobicContact CG-CD2 4.34Å | ||
| 12 | P | 88.3 | Confident | 88 | Confident | 60 Ų | 60 | 71.5 Ų | 71.5 | 39% | 0.39 | 40% | 0.402 | S | S | . | . | trans | -61.6 | 132.2 | 175.7 | 21.9 | -28.3 | 0 | 0 | 0 | 110 | D14 N15 L16 | P12-D14 VanDerWaalsContact C-N 3.26Å; P12-D14 PolarHBondContact O-N 2.99Å; P12-N15 HydrophobicContact CG-CB 4.01Å; P12-N15 PolarHBondContact O-N 3.24Å; P12-L16 PolarHBondContact O-N 3.09Å; P12-L16 VanDerWaalsContact O-N 3.16Å | ||
| 13 | A | 87.1 | Confident | 88.5 | Confident | 69 Ų | 69 | 73.2 Ų | 73.2 | 57% | 0.57 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -58.6 | -38 | -172.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y11 N15 L16 V17 | Y11-A13 PolarHBondContact O-N 3.35Å; A13-N15 PolarHBondContact O-N 3.45Å; A13-L16 WeakPolarHBondContact O-CB 3.46Å; A13-L16 PolarHBondContact O-N 3.41Å; A13-V17 WeakPolarHBondContact O-CG2 3.49Å; A13-V17 PolarHBondContact O-N 3.42Å |
| 14 | D | 89.5 | Confident | 88.9 | Confident | 136 Ų | 136 | 72 Ų | 72 | 73% | 0.727 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -61 | -44.3 | 179.3 | -60.5 | -40.2 | 0 | 0 | 0 | 112.2 | P12 L16 V17 L18 | P12-D14 VanDerWaalsContact C-N 3.26Å; P12-D14 PolarHBondContact O-N 2.99Å; D14-L16 VanDerWaalsContact C-N 3.34Å; D14-L16 PolarHBondContact O-N 3.44Å; D14-V17 PolarHBondContact O-N 3.27Å; D14-L18 PolarHBondContact O-N 3.01Å |
| 15 | N | 89.1 | Confident | 89.3 | Confident | 61 Ų | 61 | 69.9 Ų | 69.9 | 33% | 0.326 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -67.8 | -36 | 177.3 | -65.6 | 37.9 | 0 | 0 | 0 | 111.4 | Y11 P12 A13 L18 D19 T71 | Y11-N15 HydrophobicContact CD1-CB 4.18Å; Y11-N15 HydrophobicContact CE1-CB 3.64Å; P12-N15 HydrophobicContact CG-CB 4.01Å; P12-N15 PolarHBondContact O-N 3.24Å; A13-N15 PolarHBondContact O-N 3.45Å; N15-L18 PolarHBondContact O-N 2.96Å; N15-D19 WeakPolarHBondContact O-CB 3.35Å; N15-D19 VanDerWaalsContact O-CG 3.31Å; N15-D19 PolarHBondContact O-N 3.23Å; N15-T71 PolarHBondContact ND2-OG1 2.75Å |
| 16 | L | 88.8 | Confident | 89.8 | Confident | 43 Ų | 43 | 71.1 Ų | 71.1 | 23% | 0.225 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -64.8 | -43.1 | 177.8 | -175.3 | 67.5 | 0 | 0 | 0 | 111 | F2 Y11 P12 A13 D14 D19 V20 | F2-L16 HydrophobicContact CB-CD1 4.47Å; F2-L16 HydrophobicContact CD1-CD1 3.96Å; Y11-L16 HydrophobicContact CD1-CB 3.88Å; Y11-L16 HydrophobicContact CD1-CD1 4.41Å; Y11-L16 HydrophobicContact CE1-CB 4.26Å; P12-L16 PolarHBondContact O-N 3.09Å; P12-L16 VanDerWaalsContact O-N 3.16Å; A13-L16 WeakPolarHBondContact O-CB 3.46Å; A13-L16 PolarHBondContact O-N 3.41Å; D14-L16 VanDerWaalsContact C-N 3.34Å; D14-L16 PolarHBondContact O-N 3.44Å; L16-D19 PolarHBondContact O-N 2.93Å; L16-V20 VanDerWaalsContact O-CG2 3.27Å; L16-V20 WeakPolarHBondContact O-CG2 3.16Å; L16-V20 PolarHBondContact O-N 3.13Å; L16-V20 VanDerWaalsContact O-N 3.09Å |
| 17 | V | 91.3 | Very high | 90.3 | Very high | 91 Ų | 91 | 74.4 Ų | 74.4 | 55% | 0.552 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -63.2 | -45.9 | 176.3 | 174.2 | 0 | 0 | 0 | 0 | 110.3 | A13 D14 D19 V20 V21 | A13-V17 WeakPolarHBondContact O-CG2 3.49Å; A13-V17 PolarHBondContact O-N 3.42Å; D14-V17 PolarHBondContact O-N 3.27Å; V17-D19 PolarHBondContact O-N 3.37Å; V17-V20 PolarHBondContact O-N 3.41Å; V17-V21 HydrophobicContact CG1-CG2 4.35Å; V17-V21 WeakPolarHBondContact O-CG2 3.39Å; V17-V21 PolarHBondContact O-N 3.4Å |
| 18 | L | 91.8 | Very high | 90.7 | Very high | 88 Ų | 88 | 70 Ų | 70 | 46% | 0.461 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -56.7 | -49 | 176.4 | 178.8 | 64.7 | 0 | 0 | 0 | 111.7 | D14 N15 V20 V21 L22 | D14-L18 PolarHBondContact O-N 3.01Å; N15-L18 PolarHBondContact O-N 2.96Å; L18-V20 VanDerWaalsContact C-N 3.28Å; L18-V20 PolarHBondContact O-N 2.98Å; L18-V21 PolarHBondContact O-N 3.29Å; L18-L22 HydrophobicContact CD1-CD1 4.16Å; L18-L22 HydrophobicContact CD1-CG 4.28Å; L18-L22 HydrophobicContact CG-CD1 3.95Å; L18-L22 HydrophobicContact CG-CG 4.47Å; L18-L22 WeakPolarHBondContact O-CB 3.37Å; L18-L22 WeakPolarHBondContact O-CG 3.4Å; L18-L22 PolarHBondContact O-N 3.07Å |
| 19 | D | 92 | Very high | 91.1 | Very high | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -61.3 | -37.5 | -179.9 | -75.4 | -10.8 | 0 | 0 | 0 | 112.3 | F2 Y11 N15 L16 V17 L23 Y65 Y66 Q70 | F2-D19 HydrophobicContact CD1-CB 4.29Å; F2-D19 HydrophobicContact CE1-CB 3.49Å; F2-D19 VanDerWaalsContact CE1-CB 3.49Å; F2-D19 HydrophobicContact CZ-CB 4.13Å; Y11-D19 PolarHBondContact OH-OD2 3.01Å; N15-D19 WeakPolarHBondContact O-CB 3.35Å; N15-D19 VanDerWaalsContact O-CG 3.31Å; N15-D19 PolarHBondContact O-N 3.23Å; L16-D19 PolarHBondContact O-N 2.93Å; V17-D19 PolarHBondContact O-N 3.37Å; D19-L23 WeakPolarHBondContact O-CB 3.1Å; D19-L23 PolarHBondContact O-N 3.3Å; D19-Y65 PolarHBondContact OD1-OH 3.43Å; D19-Y66 PolarHBondContact O-OH 3.41Å; D19-Q70 PolarHBondContact OD2-NE2 3.33Å; D19-Q70 VanDerWaalsContact OD2-NE2 3.07Å |
| 20 | V | 91.8 | Very high | 91.6 | Very high | 56 Ų | 56 | 65.5 Ų | 65.5 | 34% | 0.339 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -70.3 | -40.7 | 177.6 | 171.4 | 0 | 0 | 0 | 0 | 111.2 | F2 L16 V17 L18 L23 L24 | F2-V20 HydrophobicContact CB-CG2 4.5Å; F2-V20 HydrophobicContact CD1-CG2 4.38Å; F2-V20 HydrophobicContact CG-CG2 4.37Å; L16-V20 VanDerWaalsContact O-CG2 3.27Å; L16-V20 WeakPolarHBondContact O-CG2 3.16Å; L16-V20 PolarHBondContact O-N 3.13Å; L16-V20 VanDerWaalsContact O-N 3.09Å; V17-V20 PolarHBondContact O-N 3.41Å; L18-V20 VanDerWaalsContact C-N 3.28Å; L18-V20 PolarHBondContact O-N 2.98Å; V20-L23 WeakPolarHBondContact O-CB 3.27Å; V20-L23 PolarHBondContact O-N 3.3Å; V20-L23 VanDerWaalsContact O-N 3.16Å; V20-L24 PolarHBondContact O-N 2.88Å |
| 21 | V | 94.9 | Very high | 92.1 | Very high | 86 Ų | 86 | 63.6 Ų | 63.6 | 52% | 0.521 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.8 | -45 | 175.4 | 171.4 | 0 | 0 | 0 | 0 | 110.7 | V17 L18 L23 L24 L25 | V17-V21 HydrophobicContact CG1-CG2 4.35Å; V17-V21 WeakPolarHBondContact O-CG2 3.39Å; V17-V21 PolarHBondContact O-N 3.4Å; L18-V21 PolarHBondContact O-N 3.29Å; V21-L23 PolarHBondContact O-N 3.16Å; V21-L24 PolarHBondContact O-N 2.75Å; V21-L25 PolarHBondContact O-N 3.07Å |
| 22 | L | 93.9 | Very high | 92.6 | Very high | 35 Ų | 35 | 66.2 Ų | 66.2 | 18% | 0.183 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -60.4 | -32.2 | 174.1 | -72.4 | 170.8 | 0 | 0 | 0 | 111.6 | L18 L25 F26 L62 Y65 Y66 | L18-L22 HydrophobicContact CD1-CD1 4.16Å; L18-L22 HydrophobicContact CD1-CG 4.28Å; L18-L22 HydrophobicContact CG-CD1 3.95Å; L18-L22 HydrophobicContact CG-CG 4.47Å; L18-L22 WeakPolarHBondContact O-CB 3.37Å; L18-L22 WeakPolarHBondContact O-CG 3.4Å; L18-L22 PolarHBondContact O-N 3.07Å; L22-L25 PolarHBondContact O-N 2.57Å; L22-F26 VanDerWaalsContact O-CB 3.27Å; L22-F26 WeakPolarHBondContact O-CB 3.37Å; L22-F26 PolarHBondContact O-N 2.91Å; L22-L62 HydrophobicContact CB-CD2 4.17Å; L22-L62 HydrophobicContact CD2-CD2 3.95Å; L22-Y65 HydrophobicContact CD1-CD1 4Å; L22-Y65 HydrophobicContact CD1-CE1 3.42Å; L22-Y65 VanDerWaalsContact CD1-CE1 3.42Å; L22-Y65 HydrophobicContact CD1-CE2 4.21Å; L22-Y66 VanDerWaalsContact CB-OH 3.31Å; L22-Y66 WeakPolarHBondContact CB-OH 3.29Å |
| 23 | L | 93.3 | Very high | 92.9 | Very high | 70 Ų | 70 | 64 Ų | 64 | 37% | 0.366 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -71.7 | -41.9 | -178.9 | -173.3 | 75 | 0 | 0 | 0 | 110.4 | F2 D19 V20 V21 L25 F26 L27 Y66 | F2-L23 HydrophobicContact CD2-CD2 4.02Å; F2-L23 HydrophobicContact CE2-CD1 4.24Å; F2-L23 HydrophobicContact CE2-CD2 3.8Å; F2-L23 HydrophobicContact CE2-CG 4.48Å; D19-L23 WeakPolarHBondContact O-CB 3.1Å; D19-L23 PolarHBondContact O-N 3.3Å; V20-L23 WeakPolarHBondContact O-CB 3.27Å; V20-L23 PolarHBondContact O-N 3.3Å; V20-L23 VanDerWaalsContact O-N 3.16Å; V21-L23 PolarHBondContact O-N 3.16Å; L23-L25 VanDerWaalsContact C-N 3.34Å; L23-F26 PolarHBondContact O-N 3Å; L23-L27 WeakPolarHBondContact O-CB 3.32Å; L23-L27 PolarHBondContact O-N 2.81Å; L23-Y66 WeakPolarHBondContact CA-OH 3.38Å; L23-Y66 WeakPolarHBondContact CB-OH 3.31Å; L23-Y66 HydrophobicContact CD1-CE2 4.42Å; L23-Y66 PolarHBondContact N-OH 2.78Å |
| 24 | L | 94.8 | Very high | 93.1 | Very high | 113 Ų | 113 | 65.3 Ų | 65.3 | 59% | 0.592 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -63.8 | -41.8 | 174.3 | -69.6 | 174.5 | 0 | 0 | 0 | 111.3 | V20 V21 F26 L27 A28 | V20-L24 PolarHBondContact O-N 2.88Å; V21-L24 PolarHBondContact O-N 2.75Å; L24-F26 VanDerWaalsContact C-N 3.33Å; L24-L27 PolarHBondContact O-N 3.33Å; L24-A28 PolarHBondContact O-N 3.33Å |
| 25 | L | 95.6 | Very high | 93.2 | Very high | 87 Ų | 87 | 64.3 Ų | 64.3 | 46% | 0.455 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61.5 | -44.1 | 173.6 | 179.4 | 64.5 | 0 | 0 | 0 | 111.2 | V21 L22 L23 L27 A28 L29 | V21-L25 PolarHBondContact O-N 3.07Å; L22-L25 PolarHBondContact O-N 2.57Å; L23-L25 VanDerWaalsContact C-N 3.34Å; L25-L27 VanDerWaalsContact C-N 3.34Å; L25-L27 PolarHBondContact O-N 3.17Å; L25-A28 PolarHBondContact O-N 3.09Å; L25-L29 HydrophobicContact CD1-CD1 4.41Å; L25-L29 HydrophobicContact CD1-CG 4.46Å; L25-L29 HydrophobicContact CG-CD1 4.13Å; L25-L29 WeakPolarHBondContact O-CG 3.41Å; L25-L29 PolarHBondContact O-N 3.15Å |
| 26 | F | 94.8 | Very high | 93.1 | Very high | 26 Ų | 26 | 65 Ų | 65 | 11% | 0.114 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -61.7 | -43.1 | 178.5 | -173.3 | -133.3 | 0 | 0 | 0 | 111.7 | L22 L23 L24 A28 L29 E30 C59 L62 A63 Y66 L84 Y88 | L22-F26 VanDerWaalsContact O-CB 3.27Å; L22-F26 WeakPolarHBondContact O-CB 3.37Å; L22-F26 PolarHBondContact O-N 2.91Å; L23-F26 PolarHBondContact O-N 3Å; L24-F26 VanDerWaalsContact C-N 3.33Å; F26-A28 PolarHBondContact O-N 2.81Å; F26-L29 PolarHBondContact O-N 3.46Å; F26-E30 HydrophobicContact CD2-CG 4.27Å; F26-E30 HydrophobicContact CE2-CG 4.02Å; F26-E30 HydrophobicContact CZ-CG 4.18Å; F26-E30 WeakPolarHBondContact O-CB 3.48Å; F26-E30 WeakPolarHBondContact O-CG 3.31Å; F26-E30 PolarHBondContact O-N 3.21Å; F26-C59 HydrophobicContact CE2-CB 4.03Å; F26-C59 VanDerWaalsContact CE2-O 3.3Å; F26-C59 WeakPolarHBondContact CE2-O 3.49Å; F26-L62 HydrophobicContact CB-CB 4.44Å; F26-L62 HydrophobicContact CB-CD1 4.21Å; F26-L62 HydrophobicContact CB-CD2 4.35Å; F26-L62 HydrophobicContact CD2-CB 3.48Å; F26-L62 VanDerWaalsContact CD2-CB 3.48Å; F26-L62 HydrophobicContact CD2-CD1 3.9Å; F26-L62 HydrophobicContact CD2-CG 4.24Å; F26-L62 HydrophobicContact CE2-CB 3.89Å; F26-L62 HydrophobicContact CG-CB 4.09Å; F26-L62 HydrophobicContact CG-CD1 4.49Å; F26-A63 HydrophobicContact CZ-CB 4.26Å; F26-Y66 HydrophobicContact CD1-CE2 4.35Å; F26-L84 HydrophobicContact CE1-CD2 4.07Å; F26-L84 HydrophobicContact CZ-CD2 3.76Å; F26-Y88 WeakPolarHBondContact CE2-OH 3.4Å; F26-Y88 WeakPolarHBondContact CZ-OH 3.24Å |
| 27 | L | 95.2 | Very high | 93.1 | Very high | 107 Ų | 107 | 64.1 Ų | 64.1 | 56% | 0.56 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -59.4 | -44.9 | 173.7 | -178.4 | 66.7 | 0 | 0 | 0 | 111.9 | L23 L24 L25 E30 T31 | L23-L27 WeakPolarHBondContact O-CB 3.32Å; L23-L27 PolarHBondContact O-N 2.81Å; L24-L27 PolarHBondContact O-N 3.33Å; L25-L27 VanDerWaalsContact C-N 3.34Å; L25-L27 PolarHBondContact O-N 3.17Å; L27-E30 PolarHBondContact O-N 3.42Å; L27-T31 HydrophobicContact CD1-CG2 4.5Å; L27-T31 VanDerWaalsContact O-CG2 3.31Å; L27-T31 WeakPolarHBondContact O-CG2 3.43Å; L27-T31 PolarHBondContact O-N 3.48Å; L27-T31 PolarHBondContact O-OG1 2.62Å |
| 28 | A | 96 | Very high | 92.9 | Very high | 46 Ų | 46 | 68.3 Ų | 68.3 | 38% | 0.38 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62.3 | -44 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L24 L25 F26 T31 L32 | L24-A28 PolarHBondContact O-N 3.33Å; L25-A28 PolarHBondContact O-N 3.09Å; F26-A28 PolarHBondContact O-N 2.81Å; A28-T31 PolarHBondContact O-N 2.94Å; A28-T31 PolarHBondContact O-OG1 3.07Å; A28-L32 VanDerWaalsContact O-CG 3.32Å; A28-L32 WeakPolarHBondContact O-CG 3.23Å; A28-L32 PolarHBondContact O-N 3.04Å; A28-L32 VanDerWaalsContact O-N 3.09Å |
| 29 | L | 94.9 | Very high | 92.7 | Very high | 33 Ų | 33 | 69.4 Ų | 69.4 | 17% | 0.173 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -65.6 | -42.5 | 177.6 | -69.3 | 170.3 | 0 | 0 | 0 | 112.1 | L25 F26 T31 L32 R33 I55 P58 L62 | L25-L29 HydrophobicContact CD1-CD1 4.41Å; L25-L29 HydrophobicContact CD1-CG 4.46Å; L25-L29 HydrophobicContact CG-CD1 4.13Å; L25-L29 WeakPolarHBondContact O-CG 3.41Å; L25-L29 PolarHBondContact O-N 3.15Å; F26-L29 PolarHBondContact O-N 3.46Å; L29-T31 PolarHBondContact O-N 3.47Å; L29-L32 PolarHBondContact O-N 2.7Å; L29-R33 WeakPolarHBondContact O-CB 3.48Å; L29-R33 PolarHBondContact O-N 3.01Å; L29-I55 HydrophobicContact CB-CG2 4.37Å; L29-I55 HydrophobicContact CD2-CG2 4.28Å; L29-I55 WeakPolarHBondContact O-CG2 3.3Å; L29-P58 HydrophobicContact CD1-CB 4.19Å; L29-L62 HydrophobicContact CD1-CD1 3.44Å; L29-L62 VanDerWaalsContact CD1-CD1 3.44Å |
| 30 | E | 94.7 | Very high | 92.2 | Very high | 27 Ų | 27 | 69.4 Ų | 69.4 | 13% | 0.126 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -60 | -45.6 | 176.2 | -82.6 | -61.6 | 118.2 | 0 | 0 | 112.3 | F26 L27 L32 R33 I34 C59 Y88 | F26-E30 HydrophobicContact CD2-CG 4.27Å; F26-E30 HydrophobicContact CE2-CG 4.02Å; F26-E30 HydrophobicContact CZ-CG 4.18Å; F26-E30 WeakPolarHBondContact O-CB 3.48Å; F26-E30 WeakPolarHBondContact O-CG 3.31Å; F26-E30 PolarHBondContact O-N 3.21Å; L27-E30 PolarHBondContact O-N 3.42Å; E30-L32 PolarHBondContact O-N 3.41Å; E30-R33 WeakPolarHBondContact O-CB 3.4Å; E30-R33 PolarHBondContact O-N 3.03Å; E30-R33 IonicContact OE1-CZ 3.34Å; E30-R33 IonicContact OE1-NE 3.01Å; E30-R33 PolarHBondContact OE1-NE 2.97Å; E30-R33 IonicContact OE1-NH2 3.52Å; E30-R33 IonicContact OE2-CZ 3.28Å; E30-R33 VanDerWaalsContact OE2-CZ 3.28Å; E30-R33 IonicContact OE2-NE 3.35Å; E30-R33 PolarHBondContact OE2-NE 2.88Å; E30-R33 IonicContact OE2-NH2 2.66Å; E30-R33 PolarHBondContact OE2-NH2 3.3Å; E30-I34 VanDerWaalsContact O-CG1 3.3Å; E30-I34 WeakPolarHBondContact O-CG1 3.37Å; E30-I34 PolarHBondContact O-N 3.47Å; E30-C59 WeakPolarHBondContact OE1-CB 3.14Å; E30-C59 PolarHBondContact OE1-SG 3.06Å; E30-Y88 PolarHBondContact OE1-OH 3.42Å |
| 31 | T | 94.5 | Very high | 91.8 | Very high | 78 Ų | 78 | 71.8 Ų | 71.8 | 48% | 0.479 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -63.2 | -42.4 | 177.7 | 54.9 | 0 | 0 | 0 | 0 | 112 | L27 A28 L29 F35 | L27-T31 HydrophobicContact CD1-CG2 4.5Å; L27-T31 VanDerWaalsContact O-CG2 3.31Å; L27-T31 WeakPolarHBondContact O-CG2 3.43Å; L27-T31 PolarHBondContact O-N 3.48Å; L27-T31 PolarHBondContact O-OG1 2.62Å; A28-T31 PolarHBondContact O-N 2.94Å; A28-T31 PolarHBondContact O-OG1 3.07Å; L29-T31 PolarHBondContact O-N 3.47Å; T31-F35 VanDerWaalsContact O-CB 3.3Å; T31-F35 WeakPolarHBondContact O-CB 3.33Å; T31-F35 PolarHBondContact O-N 3.06Å |
| 32 | L | 92.9 | Very high | 91.1 | Very high | 79 Ų | 79 | 73.6 Ų | 73.6 | 41% | 0.414 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62.3 | -45.6 | 175 | -71 | 173.3 | 0 | 0 | 0 | 111.6 | A28 L29 E30 I34 F35 Y36 I55 | A28-L32 VanDerWaalsContact O-CG 3.32Å; A28-L32 WeakPolarHBondContact O-CG 3.23Å; A28-L32 PolarHBondContact O-N 3.04Å; A28-L32 VanDerWaalsContact O-N 3.09Å; L29-L32 PolarHBondContact O-N 2.7Å; E30-L32 PolarHBondContact O-N 3.41Å; L32-I34 PolarHBondContact O-N 3.18Å; L32-F35 PolarHBondContact O-N 3.31Å; L32-Y36 HydrophobicContact CB-CD2 4.48Å; L32-Y36 HydrophobicContact CB-CE2 4.46Å; L32-Y36 HydrophobicContact CD2-CE2 4.36Å; L32-Y36 WeakPolarHBondContact O-CD2 3.17Å; L32-Y36 PolarHBondContact O-N 3.4Å; L32-I55 HydrophobicContact CB-CD1 4.25Å |
| 33 | R | 93.2 | Very high | 90.3 | Very high | 14 Ų | 14 | 75.9 Ų | 75.9 | 5% | 0.053 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -57.4 | -50.3 | 178.6 | -174.5 | -174.8 | 67.1 | 118.7 | 11.3 | 111.5 | L29 E30 F35 Y36 G37 I55 Y88 E91 | L29-R33 WeakPolarHBondContact O-CB 3.48Å; L29-R33 PolarHBondContact O-N 3.01Å; E30-R33 WeakPolarHBondContact O-CB 3.4Å; E30-R33 PolarHBondContact O-N 3.03Å; E30-R33 IonicContact OE1-CZ 3.34Å; E30-R33 IonicContact OE1-NE 3.01Å; E30-R33 PolarHBondContact OE1-NE 2.97Å; E30-R33 IonicContact OE1-NH2 3.52Å; E30-R33 IonicContact OE2-CZ 3.28Å; E30-R33 VanDerWaalsContact OE2-CZ 3.28Å; E30-R33 IonicContact OE2-NE 3.35Å; E30-R33 PolarHBondContact OE2-NE 2.88Å; E30-R33 IonicContact OE2-NH2 2.66Å; E30-R33 PolarHBondContact OE2-NH2 3.3Å; R33-F35 VanDerWaalsContact C-N 3.33Å; R33-F35 PolarHBondContact O-N 3.48Å; R33-Y36 PolarHBondContact O-N 2.91Å; R33-G37 PolarHBondContact O-N 2.91Å; R33-I55 HydrophobicContact CB-CB 4.33Å; R33-I55 HydrophobicContact CB-CG2 3.83Å; R33-I55 HydrophobicContact CG-CG2 4.48Å; R33-Y88 VanDerWaalsContact CZ-CE1 3.42Å; R33-E91 IonicContact CZ-OE1 3.63Å; R33-E91 IonicContact CZ-OE2 3.37Å; R33-E91 IonicContact NE-OE1 3.97Å; R33-E91 IonicContact NH1-OE1 3.03Å; R33-E91 PolarHBondContact NH1-OE1 3.41Å; R33-E91 IonicContact NH1-OE2 2.6Å; R33-E91 PolarHBondContact NH1-OE2 3.47Å; R33-E91 IonicContact NH2-OE2 3.64Å |
| 34 | I | 92 | Very high | 89.5 | Confident | 96 Ų | 96 | 78.1 Ų | 78.1 | 49% | 0.492 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -62.8 | -41.9 | 178.7 | -66 | 166.5 | 0 | 0 | 0 | 110.6 | E30 L32 G37 W38 | E30-I34 VanDerWaalsContact O-CG1 3.3Å; E30-I34 WeakPolarHBondContact O-CG1 3.37Å; E30-I34 PolarHBondContact O-N 3.47Å; L32-I34 PolarHBondContact O-N 3.18Å; I34-G37 PolarHBondContact O-N 3.37Å; I34-W38 WeakPolarHBondContact O-CB 3.47Å; I34-W38 PolarHBondContact O-N 3.26Å |
| 35 | F | 91.8 | Very high | 88.6 | Confident | 115 Ų | 115 | 80 Ų | 80 | 50% | 0.504 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -60.9 | -47.6 | 177.7 | 179 | -98.7 | 0 | 0 | 0 | 112.4 | T31 L32 R33 K39 | T31-F35 VanDerWaalsContact O-CB 3.3Å; T31-F35 WeakPolarHBondContact O-CB 3.33Å; T31-F35 PolarHBondContact O-N 3.06Å; L32-F35 PolarHBondContact O-N 3.31Å; R33-F35 VanDerWaalsContact C-N 3.33Å; R33-F35 PolarHBondContact O-N 3.48Å; F35-K39 HydrophobicContact CE1-CD 4.26Å; F35-K39 HydrophobicContact CZ-CD 4.39Å; F35-K39 VanDerWaalsContact O-CB 3.29Å; F35-K39 WeakPolarHBondContact O-CB 3.3Å; F35-K39 PolarHBondContact O-N 3.49Å |
| 36 | Y | 88 | Confident | 87.7 | Confident | 75 Ų | 75 | 77.3 Ų | 77.3 | 29% | 0.294 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -70.4 | -33.4 | 178.3 | -75.2 | -63.4 | 0 | 0 | 0 | 113 | L32 R33 G40 S48 L51 I55 | L32-Y36 HydrophobicContact CB-CD2 4.48Å; L32-Y36 HydrophobicContact CB-CE2 4.46Å; L32-Y36 HydrophobicContact CD2-CE2 4.36Å; L32-Y36 WeakPolarHBondContact O-CD2 3.17Å; L32-Y36 PolarHBondContact O-N 3.4Å; R33-Y36 PolarHBondContact O-N 2.91Å; Y36-G40 WeakPolarHBondContact O-CA 3.49Å; Y36-G40 PolarHBondContact O-N 3.31Å; Y36-S48 PolarHBondContact O-OG 3.09Å; Y36-L51 HydrophobicContact CD1-CB 4.5Å; Y36-L51 HydrophobicContact CD1-CD1 4.4Å; Y36-L51 HydrophobicContact CE1-CD1 4.29Å; Y36-L51 HydrophobicContact CG-CB 4.41Å; Y36-I55 HydrophobicContact CD2-CD1 3.54Å; Y36-I55 HydrophobicContact CE2-CD1 3.94Å |
| 37 | G | 88 | Confident | 87.1 | Confident | 25 Ų | 25 | 81.3 Ų | 81.3 | 26% | 0.258 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -65.9 | -48 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | R33 I34 G40 N41 | R33-G37 PolarHBondContact O-N 2.91Å; I34-G37 PolarHBondContact O-N 3.37Å; G37-G40 PolarHBondContact O-N 3.48Å; G37-N41 WeakPolarHBondContact O-CB 3.19Å; G37-N41 PolarHBondContact O-N 2.92Å |
| 38 | W | 86.8 | Confident | 86.5 | Confident | 179 Ų | 179 | 76.8 Ų | 76.8 | 68% | 0.678 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -58.5 | -54.1 | 173.8 | -173.9 | -16.9 | 0 | 0 | 0 | 110.4 | I34 G40 N41 L42 | I34-W38 WeakPolarHBondContact O-CB 3.47Å; I34-W38 PolarHBondContact O-N 3.26Å; W38-G40 VanDerWaalsContact C-N 3.3Å; W38-G40 PolarHBondContact O-N 3.46Å; W38-N41 PolarHBondContact O-N 2.96Å; W38-L42 VanDerWaalsContact CD1-CD1 3.4Å; W38-L42 PolarHBondContact O-N 3.46Å |
| 39 | K | 87.3 | Confident | 86 | Confident | 111 Ų | 111 | 75 Ų | 75 | 48% | 0.483 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -61.6 | -38.1 | -178 | -167.5 | 173.4 | -174.1 | 175.6 | 0 | 112.6 | F35 C43 | F35-K39 HydrophobicContact CE1-CD 4.26Å; F35-K39 HydrophobicContact CZ-CD 4.39Å; F35-K39 VanDerWaalsContact O-CB 3.29Å; F35-K39 WeakPolarHBondContact O-CB 3.3Å; F35-K39 PolarHBondContact O-N 3.49Å; K39-C43 WeakPolarHBondContact O-CB 3.11Å; K39-C43 PolarHBondContact O-N 2.97Å; K39-C43 VanDerWaalsContact O-N 3.08Å |
| 40 | G | 82.6 | Confident | 85.6 | Confident | 0 Ų | 0 | 77.4 Ų | 77.4 | 0% | 0 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -66.2 | -39.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113 | Y36 G37 W38 E44 R45 S48 | Y36-G40 WeakPolarHBondContact O-CA 3.49Å; Y36-G40 PolarHBondContact O-N 3.31Å; G37-G40 PolarHBondContact O-N 3.48Å; W38-G40 VanDerWaalsContact C-N 3.3Å; W38-G40 PolarHBondContact O-N 3.46Å; G40-E44 PolarHBondContact O-N 2.66Å; G40-R45 PolarHBondContact O-N 3.16Å; G40-S48 PolarHBondContact N-OG 2.87Å |
| 41 | N | 82.4 | Confident | 85.3 | Confident | 105 Ų | 105 | 79.5 Ų | 79.5 | 56% | 0.561 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -69.2 | -43.7 | 177.5 | -166.1 | 57.6 | 0 | 0 | 0 | 112.3 | G37 W38 | G37-N41 WeakPolarHBondContact O-CB 3.19Å; G37-N41 PolarHBondContact O-N 2.92Å; W38-N41 PolarHBondContact O-N 2.96Å |
| 42 | L | 80.8 | Confident | 85.1 | Confident | 124 Ų | 124 | 76 Ų | 76 | 65% | 0.649 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -70.6 | -36.1 | -179.9 | -79.8 | -177.7 | 0 | 0 | 0 | 114 | W38 | W38-L42 VanDerWaalsContact CD1-CD1 3.4Å; W38-L42 PolarHBondContact O-N 3.46Å |
| 43 | C | 76.3 | Confident | 85 | Confident | 83 Ų | 83 | 73.4 Ų | 73.4 | 56% | 0.561 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | 4.9 | -176.4 | -63.6 | 0 | 0 | 0 | 0 | 113.3 | K39 R45 | K39-C43 WeakPolarHBondContact O-CB 3.11Å; K39-C43 PolarHBondContact O-N 2.97Å; K39-C43 VanDerWaalsContact O-N 3.08Å; C43-R45 HydrophobicContact CB-CB 4.16Å; C43-R45 PolarHBondContact O-N 3.37Å |
| 44 | E | 77.5 | Confident | 85 | Confident | 117 Ų | 117 | 80 Ų | 80 | 55% | 0.547 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 45.7 | 31.2 | -173.5 | -57.6 | -171 | 147.2 | 0 | 0 | 112.8 | G40 S46 F102 | G40-E44 PolarHBondContact O-N 2.66Å; E44-S46 PolarHBondContact O-N 3.35Å; E44-F102 HydrophobicContact CB-CD1 4Å; E44-F102 HydrophobicContact CB-CE1 3.91Å; E44-F102 HydrophobicContact CB-CZ 4.34Å; E44-F102 HydrophobicContact CG-CD1 4.24Å; E44-F102 HydrophobicContact CG-CE1 3.72Å; E44-F102 HydrophobicContact CG-CZ 4.19Å |
| 45 | R | 75.1 | Confident | 85.1 | Confident | 154 Ų | 154 | 76.4 Ų | 76.4 | 58% | 0.581 | 37% | 0.371 | S | S | * | . | trans | -99.7 | 99.1 | -170.9 | -162.5 | 168.3 | -173.9 | 164.2 | 0.6 | 108.5 | G40 C43 L47 S48 S49 | G40-R45 PolarHBondContact O-N 3.16Å; C43-R45 HydrophobicContact CB-CB 4.16Å; C43-R45 PolarHBondContact O-N 3.37Å; R45-L47 PolarHBondContact O-N 3.01Å; R45-S48 PolarHBondContact O-N 2.85Å; R45-S49 PolarHBondContact O-N 2.98Å | ||
| 46 | S | 77.4 | Confident | 85.2 | Confident | 29 Ų | 29 | 71.3 Ų | 71.3 | 20% | 0.203 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -45.1 | -37.7 | 178.1 | 171.3 | 0 | 0 | 0 | 0 | 113.3 | E44 S48 S49 L50 | E44-S46 PolarHBondContact O-N 3.35Å; S46-S48 PolarHBondContact O-N 3.12Å; S46-S49 PolarHBondContact O-N 3.41Å; S46-L50 WeakPolarHBondContact O-CB 3.3Å; S46-L50 VanDerWaalsContact O-CG 3.32Å; S46-L50 WeakPolarHBondContact O-CG 3.48Å; S46-L50 PolarHBondContact O-N 2.54Å |
| 47 | L | 82.4 | Confident | 85.5 | Confident | 110 Ų | 110 | 73.6 Ų | 73.6 | 58% | 0.576 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -63 | -40.2 | 179 | -159.3 | 152.3 | 0 | 0 | 0 | 113.5 | R45 L50 L51 | R45-L47 PolarHBondContact O-N 3.01Å; L47-L50 PolarHBondContact O-N 3.36Å; L47-L51 HydrophobicContact CD2-CD1 3.81Å; L47-L51 HydrophobicContact CD2-CG 4.25Å; L47-L51 WeakPolarHBondContact O-CG 3.42Å; L47-L51 PolarHBondContact O-N 3.46Å |
| 48 | S | 83.1 | Confident | 85.8 | Confident | 13 Ų | 13 | 74.9 Ų | 74.9 | 9% | 0.091 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -72.1 | -34.6 | 178.2 | -172.6 | 0 | 0 | 0 | 0 | 111.7 | Y36 G40 R45 S46 L51 S52 | Y36-S48 PolarHBondContact O-OG 3.09Å; G40-S48 PolarHBondContact N-OG 2.87Å; R45-S48 PolarHBondContact O-N 2.85Å; S46-S48 PolarHBondContact O-N 3.12Å; S48-L51 PolarHBondContact O-N 3.01Å; S48-S52 PolarHBondContact O-N 3.32Å; S48-S52 VanDerWaalsContact O-N 3.11Å; S48-S52 PolarHBondContact O-OG 3.45Å |
| 49 | S | 83.9 | Confident | 86.2 | Confident | 8 Ų | 8 | 66.3 Ų | 66.3 | 6% | 0.056 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -67.9 | -38.2 | 174.5 | -158.9 | 0 | 0 | 0 | 0 | 111.8 | R45 S46 L51 S52 L53 C95 | R45-S49 PolarHBondContact O-N 2.98Å; S46-S49 PolarHBondContact O-N 3.41Å; S49-L51 VanDerWaalsContact C-N 3.35Å; S49-L51 PolarHBondContact O-N 2.98Å; S49-S52 WeakPolarHBondContact CA-OG 3.19Å; S49-S52 PolarHBondContact O-N 3.39Å; S49-S52 PolarHBondContact O-OG 3.27Å; S49-L53 PolarHBondContact O-N 3Å; S49-C95 PolarHBondContact OG-SG 3.18Å |
| 50 | L | 87.1 | Confident | 86.5 | Confident | 84 Ų | 84 | 63 Ų | 63 | 44% | 0.44 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -63.7 | -38 | 171.8 | -75.9 | 165.3 | 0 | 0 | 0 | 112.3 | S46 L47 L53 F54 I99 | S46-L50 WeakPolarHBondContact O-CB 3.3Å; S46-L50 VanDerWaalsContact O-CG 3.32Å; S46-L50 WeakPolarHBondContact O-CG 3.48Å; S46-L50 PolarHBondContact O-N 2.54Å; L47-L50 PolarHBondContact O-N 3.36Å; L50-L53 WeakPolarHBondContact O-CB 3.39Å; L50-L53 PolarHBondContact O-N 3.24Å; L50-F54 PolarHBondContact O-N 3.36Å; L50-I99 HydrophobicContact CD2-CD1 3.81Å; L50-I99 HydrophobicContact CG-CD1 4.01Å |
| 51 | L | 89 | Confident | 87.1 | Confident | 70 Ų | 70 | 66 Ų | 66 | 37% | 0.366 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -65.3 | -43.3 | 175.6 | -73.6 | 171.1 | 0 | 0 | 0 | 112 | Y36 L47 S48 S49 L53 F54 I55 | Y36-L51 HydrophobicContact CD1-CB 4.5Å; Y36-L51 HydrophobicContact CD1-CD1 4.4Å; Y36-L51 HydrophobicContact CE1-CD1 4.29Å; Y36-L51 HydrophobicContact CG-CB 4.41Å; L47-L51 HydrophobicContact CD2-CD1 3.81Å; L47-L51 HydrophobicContact CD2-CG 4.25Å; L47-L51 WeakPolarHBondContact O-CG 3.42Å; L47-L51 PolarHBondContact O-N 3.46Å; S48-L51 PolarHBondContact O-N 3.01Å; S49-L51 VanDerWaalsContact C-N 3.35Å; S49-L51 PolarHBondContact O-N 2.98Å; L51-L53 VanDerWaalsContact C-N 3.27Å; L51-L53 PolarHBondContact O-N 3.2Å; L51-F54 PolarHBondContact O-N 3.41Å; L51-I55 VanDerWaalsContact O-CG1 3.31Å; L51-I55 WeakPolarHBondContact O-CG1 3.33Å; L51-I55 PolarHBondContact O-N 3.04Å |
| 52 | S | 90.5 | Very high | 87.7 | Confident | 5 Ų | 5 | 61.8 Ų | 61.8 | 4% | 0.035 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61.6 | -37.3 | 173.2 | 46.6 | 0 | 0 | 0 | 0 | 112.1 | S48 S49 I55 L56 | S48-S52 PolarHBondContact O-N 3.32Å; S48-S52 VanDerWaalsContact O-N 3.11Å; S48-S52 PolarHBondContact O-OG 3.45Å; S49-S52 WeakPolarHBondContact CA-OG 3.19Å; S49-S52 PolarHBondContact O-N 3.39Å; S49-S52 PolarHBondContact O-OG 3.27Å; S52-I55 PolarHBondContact O-N 2.82Å; S52-L56 PolarHBondContact O-N 3.33Å |
| 53 | L | 90.8 | Very high | 88.3 | Confident | 25 Ų | 25 | 56 Ų | 56 | 13% | 0.131 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.7 | -39.4 | 174.9 | -167.5 | 67 | 0 | 0 | 0 | 112.1 | S49 L50 L51 L56 F57 F92 C95 | S49-L53 PolarHBondContact O-N 3Å; L50-L53 WeakPolarHBondContact O-CB 3.39Å; L50-L53 PolarHBondContact O-N 3.24Å; L51-L53 VanDerWaalsContact C-N 3.27Å; L51-L53 PolarHBondContact O-N 3.2Å; L53-L56 HydrophobicContact CD1-CD2 4.18Å; L53-L56 VanDerWaalsContact O-CB 3.25Å; L53-L56 WeakPolarHBondContact O-CB 3.48Å; L53-L56 PolarHBondContact O-N 3.46Å; L53-F57 WeakPolarHBondContact O-CD2 3.3Å; L53-F57 WeakPolarHBondContact O-CE2 3.43Å; L53-F92 HydrophobicContact CD1-CD2 3.43Å; L53-F92 VanDerWaalsContact CD1-CD2 3.43Å; L53-F92 HydrophobicContact CD1-CE2 3.85Å; L53-F92 HydrophobicContact CD1-CG 4.35Å; L53-F92 HydrophobicContact CD2-CE2 4.44Å; L53-F92 HydrophobicContact CG-CD2 4.46Å; L53-F92 HydrophobicContact CG-CE2 4.46Å; L53-C95 HydrophobicContact CD1-CB 4.29Å |
| 54 | F | 92.6 | Very high | 89.2 | Confident | 151 Ų | 151 | 54.6 Ų | 54.6 | 66% | 0.662 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -65.5 | -39.9 | 176.8 | -172.3 | -99.9 | 0 | 0 | 0 | 111.8 | L50 L51 L56 F57 P58 | L50-F54 PolarHBondContact O-N 3.36Å; L51-F54 PolarHBondContact O-N 3.41Å; F54-L56 VanDerWaalsContact C-N 3.27Å; F54-L56 PolarHBondContact O-N 3.29Å; F54-F57 PolarHBondContact O-N 3.38Å; F54-P58 WeakPolarHBondContact O-CD 3.15Å |
| 55 | I | 93.4 | Very high | 89.9 | Confident | 22 Ų | 22 | 51.4 Ų | 51.4 | 11% | 0.113 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -71.2 | -23.5 | 177.1 | -60.3 | 163.3 | 0 | 0 | 0 | 111.5 | L29 L32 R33 Y36 L51 S52 F57 P58 C59 | L29-I55 HydrophobicContact CB-CG2 4.37Å; L29-I55 HydrophobicContact CD2-CG2 4.28Å; L29-I55 WeakPolarHBondContact O-CG2 3.3Å; L32-I55 HydrophobicContact CB-CD1 4.25Å; R33-I55 HydrophobicContact CB-CB 4.33Å; R33-I55 HydrophobicContact CB-CG2 3.83Å; R33-I55 HydrophobicContact CG-CG2 4.48Å; Y36-I55 HydrophobicContact CD2-CD1 3.54Å; Y36-I55 HydrophobicContact CE2-CD1 3.94Å; L51-I55 VanDerWaalsContact O-CG1 3.31Å; L51-I55 WeakPolarHBondContact O-CG1 3.33Å; L51-I55 PolarHBondContact O-N 3.04Å; S52-I55 PolarHBondContact O-N 2.82Å; I55-F57 VanDerWaalsContact C-N 3.26Å; I55-F57 PolarHBondContact O-N 2.9Å; I55-P58 WeakPolarHBondContact O-CD 3.12Å; I55-P58 VanDerWaalsContact O-CG 3.23Å; I55-P58 WeakPolarHBondContact O-CG 3.31Å; I55-C59 PolarHBondContact O-N 3.38Å; I55-C59 PolarHBondContact O-SG 2.93Å; I55-C59 VanDerWaalsContact O-SG 3.37Å |
| 56 | L | 94.3 | Very high | 90.7 | Very high | 7 Ų | 7 | 44.8 Ų | 44.8 | 4% | 0.037 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.8 | -35 | 174.1 | -171.3 | 69.3 | 0 | 0 | 0 | 112.4 | S52 L53 F54 C59 T60 Y88 F92 | S52-L56 PolarHBondContact O-N 3.33Å; L53-L56 HydrophobicContact CD1-CD2 4.18Å; L53-L56 VanDerWaalsContact O-CB 3.25Å; L53-L56 WeakPolarHBondContact O-CB 3.48Å; L53-L56 PolarHBondContact O-N 3.46Å; F54-L56 VanDerWaalsContact C-N 3.27Å; F54-L56 PolarHBondContact O-N 3.29Å; L56-C59 WeakPolarHBondContact O-CB 3.48Å; L56-C59 PolarHBondContact O-N 3.18Å; L56-T60 HydrophobicContact CD1-CG2 4.4Å; L56-T60 HydrophobicContact CG-CG2 4.1Å; L56-T60 WeakPolarHBondContact O-CG2 3.36Å; L56-T60 PolarHBondContact O-N 3.34Å; L56-T60 PolarHBondContact O-OG1 2.9Å; L56-Y88 HydrophobicContact CD1-CD1 3.82Å; L56-Y88 HydrophobicContact CD1-CD2 4.44Å; L56-Y88 HydrophobicContact CD1-CE1 4.36Å; L56-Y88 HydrophobicContact CD1-CG 3.85Å; L56-F92 HydrophobicContact CD2-CB 3.96Å; L56-F92 HydrophobicContact CD2-CD2 4.29Å |
| 57 | F | 93.8 | Very high | 91.3 | Very high | 123 Ų | 123 | 44.5 Ų | 44.5 | 54% | 0.539 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -63.9 | -50.6 | -179.9 | -67 | -83.3 | 0 | 0 | 0 | 114.2 | L53 F54 I55 C59 T60 A61 | L53-F57 WeakPolarHBondContact O-CD2 3.3Å; L53-F57 WeakPolarHBondContact O-CE2 3.43Å; F54-F57 PolarHBondContact O-N 3.38Å; I55-F57 VanDerWaalsContact C-N 3.26Å; I55-F57 PolarHBondContact O-N 2.9Å; F57-C59 VanDerWaalsContact C-N 3.29Å; F57-C59 PolarHBondContact O-N 3.34Å; F57-T60 PolarHBondContact O-N 3.33Å; F57-T60 PolarHBondContact O-OG1 3.42Å; F57-A61 PolarHBondContact O-N 3.27Å |
| 58 | P | 95.1 | Very high | 91.6 | Very high | 52 Ų | 52 | 45.1 Ų | 45.1 | 34% | 0.338 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -65.4 | -32.6 | 173.3 | 24.1 | -32.5 | 0 | 0 | 0 | 112.1 | L29 F54 I55 A61 L62 | L29-P58 HydrophobicContact CD1-CB 4.19Å; F54-P58 WeakPolarHBondContact O-CD 3.15Å; I55-P58 WeakPolarHBondContact O-CD 3.12Å; I55-P58 VanDerWaalsContact O-CG 3.23Å; I55-P58 WeakPolarHBondContact O-CG 3.31Å; P58-A61 PolarHBondContact O-N 3.48Å; P58-L62 WeakPolarHBondContact O-CD1 3.31Å; P58-L62 PolarHBondContact O-N 3.03Å |
| 59 | C | 94.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.8 | -44.6 | 173 | -72.6 | 0 | 0 | 0 | 0 | 112.6 | F26 E30 I55 L56 F57 A61 L62 A63 Y88 | F26-C59 HydrophobicContact CE2-CB 4.03Å; F26-C59 VanDerWaalsContact CE2-O 3.3Å; F26-C59 WeakPolarHBondContact CE2-O 3.49Å; E30-C59 WeakPolarHBondContact OE1-CB 3.14Å; E30-C59 PolarHBondContact OE1-SG 3.06Å; I55-C59 PolarHBondContact O-N 3.38Å; I55-C59 PolarHBondContact O-SG 2.93Å; I55-C59 VanDerWaalsContact O-SG 3.37Å; L56-C59 WeakPolarHBondContact O-CB 3.48Å; L56-C59 PolarHBondContact O-N 3.18Å; F57-C59 VanDerWaalsContact C-N 3.29Å; F57-C59 PolarHBondContact O-N 3.34Å; C59-A61 VanDerWaalsContact C-N 3.33Å; C59-A61 PolarHBondContact O-N 2.83Å; C59-L62 PolarHBondContact O-N 3.08Å; C59-A63 PolarHBondContact O-N 3Å; C59-Y88 HydrophobicContact CB-CE2 4.23Å |
| 60 | T | 94.8 | Very high | 92 | Very high | 41 Ų | 41 | 50.3 Ų | 50.3 | 25% | 0.252 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -65 | -39.5 | 177.5 | 58.4 | 0 | 0 | 0 | 0 | 110.9 | L56 F57 L62 A63 V64 Y88 | L56-T60 HydrophobicContact CD1-CG2 4.4Å; L56-T60 HydrophobicContact CG-CG2 4.1Å; L56-T60 WeakPolarHBondContact O-CG2 3.36Å; L56-T60 PolarHBondContact O-N 3.34Å; L56-T60 PolarHBondContact O-OG1 2.9Å; F57-T60 PolarHBondContact O-N 3.33Å; F57-T60 PolarHBondContact O-OG1 3.42Å; T60-L62 PolarHBondContact O-N 2.97Å; T60-A63 PolarHBondContact O-N 2.87Å; T60-V64 VanDerWaalsContact O-CG2 3.31Å; T60-V64 WeakPolarHBondContact O-CG2 3.49Å; T60-V64 PolarHBondContact O-N 3.39Å; T60-Y88 HydrophobicContact CG2-CD2 3.45Å; T60-Y88 VanDerWaalsContact CG2-CD2 3.45Å; T60-Y88 HydrophobicContact CG2-CE2 4.16Å; T60-Y88 HydrophobicContact CG2-CG 4.09Å |
| 61 | A | 95.1 | Very high | 91.9 | Very high | 62 Ų | 62 | 49.4 Ų | 49.4 | 51% | 0.512 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -60.5 | -43.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | F57 P58 C59 V64 Y65 | F57-A61 PolarHBondContact O-N 3.27Å; P58-A61 PolarHBondContact O-N 3.48Å; C59-A61 VanDerWaalsContact C-N 3.33Å; C59-A61 PolarHBondContact O-N 2.83Å; A61-V64 PolarHBondContact O-N 2.94Å; A61-Y65 PolarHBondContact O-N 2.81Å |
| 62 | L | 94.4 | Very high | 91.6 | Very high | 18 Ų | 18 | 49.6 Ų | 49.6 | 9% | 0.094 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.3 | -40.4 | 174.6 | -83 | 151.7 | 0 | 0 | 0 | 112.3 | L22 F26 L29 P58 C59 T60 V64 Y65 Y66 | L22-L62 HydrophobicContact CB-CD2 4.17Å; L22-L62 HydrophobicContact CD2-CD2 3.95Å; F26-L62 HydrophobicContact CB-CB 4.44Å; F26-L62 HydrophobicContact CB-CD1 4.21Å; F26-L62 HydrophobicContact CB-CD2 4.35Å; F26-L62 HydrophobicContact CD2-CB 3.48Å; F26-L62 VanDerWaalsContact CD2-CB 3.48Å; F26-L62 HydrophobicContact CD2-CD1 3.9Å; F26-L62 HydrophobicContact CD2-CG 4.24Å; F26-L62 HydrophobicContact CE2-CB 3.89Å; F26-L62 HydrophobicContact CG-CB 4.09Å; F26-L62 HydrophobicContact CG-CD1 4.49Å; L29-L62 HydrophobicContact CD1-CD1 3.44Å; L29-L62 VanDerWaalsContact CD1-CD1 3.44Å; P58-L62 WeakPolarHBondContact O-CD1 3.31Å; P58-L62 PolarHBondContact O-N 3.03Å; C59-L62 PolarHBondContact O-N 3.08Å; T60-L62 PolarHBondContact O-N 2.97Å; L62-V64 VanDerWaalsContact C-N 3.34Å; L62-V64 PolarHBondContact O-N 3.21Å; L62-Y65 WeakPolarHBondContact O-CB 3.19Å; L62-Y65 PolarHBondContact O-N 3.02Å; L62-Y66 WeakPolarHBondContact O-CD2 3.44Å; L62-Y66 PolarHBondContact O-N 2.89Å |
| 63 | A | 93.8 | Very high | 91.4 | Very high | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.008 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.1 | -40.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | F26 C59 T60 Y65 Y66 L67 L84 L85 Y88 | F26-A63 HydrophobicContact CZ-CB 4.26Å; C59-A63 PolarHBondContact O-N 3Å; T60-A63 PolarHBondContact O-N 2.87Å; A63-Y65 VanDerWaalsContact C-N 3.33Å; A63-Y66 PolarHBondContact O-N 3.45Å; A63-L67 WeakPolarHBondContact O-CB 3.36Å; A63-L67 PolarHBondContact O-N 2.77Å; A63-L84 HydrophobicContact CB-CD2 4.31Å; A63-L85 HydrophobicContact CB-CD2 3.97Å; A63-L85 HydrophobicContact CB-CG 4.28Å; A63-Y88 HydrophobicContact CB-CE2 3.89Å |
| 64 | V | 94.2 | Very high | 91.3 | Very high | 55 Ų | 55 | 52.7 Ų | 52.7 | 33% | 0.333 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -65.5 | -37.1 | 173.5 | 172.8 | 0 | 0 | 0 | 0 | 111.2 | T60 A61 L62 L67 L68 L85 | T60-V64 VanDerWaalsContact O-CG2 3.31Å; T60-V64 WeakPolarHBondContact O-CG2 3.49Å; T60-V64 PolarHBondContact O-N 3.39Å; A61-V64 PolarHBondContact O-N 2.94Å; L62-V64 VanDerWaalsContact C-N 3.34Å; L62-V64 PolarHBondContact O-N 3.21Å; V64-L67 PolarHBondContact O-N 3.11Å; V64-L68 HydrophobicContact CG1-CD1 4.07Å; V64-L68 PolarHBondContact O-N 3.38Å; V64-L85 HydrophobicContact CG2-CD1 4.33Å; V64-L85 HydrophobicContact CG2-CD2 4.17Å |
| 65 | Y | 93.5 | Very high | 91.2 | Very high | 50 Ų | 50 | 56.4 Ų | 56.4 | 20% | 0.196 | 29% | 0.288 | C | S | . | . | I | π-helix | trans | -57.5 | -50.5 | 173.9 | 179.4 | -89.1 | 0 | 0 | 0 | 111.6 | D19 L22 A61 L62 A63 L67 L69 Q70 | D19-Y65 PolarHBondContact OD1-OH 3.43Å; L22-Y65 HydrophobicContact CD1-CD1 4Å; L22-Y65 HydrophobicContact CD1-CE1 3.42Å; L22-Y65 VanDerWaalsContact CD1-CE1 3.42Å; L22-Y65 HydrophobicContact CD1-CE2 4.21Å; A61-Y65 PolarHBondContact O-N 2.81Å; L62-Y65 WeakPolarHBondContact O-CB 3.19Å; L62-Y65 PolarHBondContact O-N 3.02Å; A63-Y65 VanDerWaalsContact C-N 3.33Å; Y65-L67 VanDerWaalsContact C-N 3.26Å; Y65-L67 PolarHBondContact O-N 3.39Å; Y65-L69 HydrophobicContact CD2-CB 3.63Å; Y65-L69 HydrophobicContact CD2-CD1 3.89Å; Y65-L69 HydrophobicContact CD2-CG 4.41Å; Y65-L69 HydrophobicContact CE2-CB 3.96Å; Y65-L69 HydrophobicContact CG-CB 4.21Å; Y65-L69 WeakPolarHBondContact O-CA 3.35Å; Y65-L69 PolarHBondContact O-N 3.3Å; Y65-Q70 PolarHBondContact O-N 2.93Å; Y65-Q70 VanDerWaalsContact O-N 3.09Å |
| 66 | Y | 90.4 | Very high | 91.1 | Very high | 14 Ų | 14 | 60.2 Ų | 60.2 | 6% | 0.055 | 31% | 0.308 | C | S | . | . | I | π-helix | trans | -67.8 | -23.3 | 176.9 | -72.8 | -63.3 | 0 | 0 | 0 | 114 | F2 D19 L22 L23 F26 L62 A63 | F2-Y66 HydrophobicContact CZ-CD1 4.48Å; F2-Y66 AromaticContact CZ-CE1 3.89Å; F2-Y66 HydrophobicContact CZ-CE1 3.89Å; D19-Y66 PolarHBondContact O-OH 3.41Å; L22-Y66 VanDerWaalsContact CB-OH 3.31Å; L22-Y66 WeakPolarHBondContact CB-OH 3.29Å; L23-Y66 WeakPolarHBondContact CA-OH 3.38Å; L23-Y66 WeakPolarHBondContact CB-OH 3.31Å; L23-Y66 HydrophobicContact CD1-CE2 4.42Å; L23-Y66 PolarHBondContact N-OH 2.78Å; F26-Y66 HydrophobicContact CD1-CE2 4.35Å; L62-Y66 WeakPolarHBondContact O-CD2 3.44Å; L62-Y66 PolarHBondContact O-N 2.89Å; A63-Y66 PolarHBondContact O-N 3.45Å |
| 67 | L | 90.9 | Very high | 90.9 | Very high | 24 Ų | 24 | 60.8 Ų | 60.8 | 13% | 0.126 | 31% | 0.311 | C | S | . | . | I | π-helix | trans | -78.5 | -44.5 | 177.1 | -168.1 | 88.1 | 0 | 0 | 0 | 112.5 | A63 V64 Y65 F78 A82 L85 | A63-L67 WeakPolarHBondContact O-CB 3.36Å; A63-L67 PolarHBondContact O-N 2.77Å; V64-L67 PolarHBondContact O-N 3.11Å; Y65-L67 VanDerWaalsContact C-N 3.26Å; Y65-L67 PolarHBondContact O-N 3.39Å; L67-F78 HydrophobicContact CD1-CD2 3.67Å; L67-F78 HydrophobicContact CD1-CE2 3.85Å; L67-F78 HydrophobicContact CD1-CG 4.3Å; L67-F78 HydrophobicContact CD2-CE2 4.45Å; L67-F78 HydrophobicContact CG-CD2 4.06Å; L67-F78 HydrophobicContact CG-CE2 4.04Å; L67-A82 HydrophobicContact CD1-CB 4.37Å; L67-L85 HydrophobicContact CD2-CD1 4.09Å |
| 68 | L | 89.1 | Confident | 90.8 | Very high | 122 Ų | 122 | 59.8 Ų | 59.8 | 64% | 0.639 | 31% | 0.306 | S | S | * | . | I | π-helix | trans | -121 | -33 | -165.5 | -59.9 | 178.9 | 0 | 0 | 0 | 115 | V64 | V64-L68 HydrophobicContact CG1-CD1 4.07Å; V64-L68 PolarHBondContact O-N 3.38Å |
| 69 | L | 88.1 | Confident | 90.8 | Very high | 120 Ų | 120 | 62.2 Ų | 62.2 | 63% | 0.628 | 32% | 0.315 | S | S | * | . | I | π-helix | trans | -100.3 | -12.2 | -168.7 | -69.4 | 162.5 | 0 | 0 | 0 | 113.3 | Y65 | Y65-L69 HydrophobicContact CD2-CB 3.63Å; Y65-L69 HydrophobicContact CD2-CD1 3.89Å; Y65-L69 HydrophobicContact CD2-CG 4.41Å; Y65-L69 HydrophobicContact CE2-CB 3.96Å; Y65-L69 HydrophobicContact CG-CB 4.21Å; Y65-L69 WeakPolarHBondContact O-CA 3.35Å; Y65-L69 PolarHBondContact O-N 3.3Å |
| 70 | Q | 86.3 | Confident | 90.8 | Very high | 10 Ų | 10 | 67 Ų | 67 | 5% | 0.047 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -66.9 | 143.3 | 176.7 | -175.2 | 170.3 | 18.2 | 0 | 0 | 111.8 | F2 K5 D19 Y65 F72 V73 | F2-Q70 VanDerWaalsContact CE1-NE2 3.31Å; K5-Q70 VanDerWaalsContact NZ-CD 3.28Å; D19-Q70 PolarHBondContact OD2-NE2 3.33Å; D19-Q70 VanDerWaalsContact OD2-NE2 3.07Å; Y65-Q70 PolarHBondContact O-N 2.93Å; Y65-Q70 VanDerWaalsContact O-N 3.09Å; Q70-F72 PolarHBondContact O-N 3.03Å; Q70-V73 HydrophobicContact CB-CG2 4.02Å |
| 71 | T | 84.9 | Confident | 90.7 | Very high | 66 Ų | 66 | 65.7 Ų | 65.7 | 41% | 0.405 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -65.6 | -39.6 | -171.1 | -26.7 | 0 | 0 | 0 | 0 | 113.2 | Y11 N15 | Y11-T71 WeakPolarHBondContact OH-CB 3.48Å; Y11-T71 PolarHBondContact OH-OG1 2.93Å; N15-T71 PolarHBondContact ND2-OG1 2.75Å |
| 72 | F | 83.8 | Confident | 90.6 | Very high | 74 Ų | 74 | 64.7 Ų | 64.7 | 33% | 0.325 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -131.1 | 105.1 | 171.1 | -68.4 | -82.3 | 0 | 0 | 0 | 110.1 | K5 L9 Y11 Q70 | K5-F72 PolarHBondContact NZ-O 3.44Å; L9-F72 HydrophobicContact CD2-CB 4.07Å; L9-F72 HydrophobicContact CD2-CD1 3.45Å; L9-F72 VanDerWaalsContact CD2-CD1 3.45Å; L9-F72 HydrophobicContact CD2-CD2 4.18Å; L9-F72 HydrophobicContact CD2-CE1 3.81Å; L9-F72 HydrophobicContact CD2-CE2 4.46Å; L9-F72 HydrophobicContact CD2-CG 3.65Å; L9-F72 HydrophobicContact CD2-CZ 4.29Å; Y11-F72 HydrophobicContact CD2-CB 4.41Å; Y11-F72 AromaticContact CD2-CD2 3.45Å; Y11-F72 HydrophobicContact CD2-CD2 3.45Å; Y11-F72 VanDerWaalsContact CD2-CD2 3.45Å; Y11-F72 HydrophobicContact CD2-CE2 4.17Å; Y11-F72 HydrophobicContact CD2-CG 4.35Å; Y11-F72 HydrophobicContact CE2-CB 3.94Å; Y11-F72 AromaticContact CE2-CD2 3.55Å; Y11-F72 HydrophobicContact CE2-CD2 3.55Å; Y11-F72 HydrophobicContact CE2-CG 4.23Å; Y11-F72 HydrophobicContact CG-CD2 4.34Å; Q70-F72 PolarHBondContact O-N 3.03Å |
| 73 | V | 86.3 | Confident | 90.7 | Very high | 56 Ų | 56 | 67.2 Ų | 67.2 | 34% | 0.339 | 34% | 0.341 | S | S | . | . | trans | -89.3 | 121.4 | 177.5 | -177.8 | 0 | 0 | 0 | 0 | 109.9 | Q70 F78 | Q70-V73 HydrophobicContact CB-CG2 4.02Å; V73-F78 HydrophobicContact CG1-CB 4.09Å | ||
| 74 | L | 88.9 | Confident | 90.8 | Very high | 39 Ų | 39 | 69.6 Ų | 69.6 | 20% | 0.204 | 35% | 0.353 | C | S | . | . | trans | -81.7 | 151.6 | 173.2 | -85.8 | 55.5 | 0 | 0 | 0 | 110.1 | M1 Y4 K5 L76 E77 F78 | M1-L74 HydrophobicContact CE-CB 3.52Å; M1-L74 HydrophobicContact CE-CD2 3.52Å; M1-L74 HydrophobicContact CE-CG 4.16Å; M1-L74 HydrophobicContact CG-CD2 4.42Å; Y4-L74 HydrophobicContact CD1-CD2 4.11Å; Y4-L74 HydrophobicContact CE1-CD2 4.2Å; K5-L74 HydrophobicContact CD-CD1 4.05Å; K5-L74 HydrophobicContact CG-CD1 4.06Å; L74-L76 PolarHBondContact O-N 2.91Å; L74-E77 WeakPolarHBondContact CB-OE2 3.28Å; L74-E77 PolarHBondContact N-OE2 3.46Å; L74-E77 WeakPolarHBondContact O-CB 3.39Å; L74-E77 PolarHBondContact O-N 3.41Å; L74-F78 PolarHBondContact O-N 2.6Å | ||
| 75 | R | 90.6 | Very high | 90.8 | Very high | 229 Ų | 229 | 69.1 Ų | 69.1 | 86% | 0.864 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -54.6 | -39 | 177.6 | -66.1 | -176.3 | 179 | -175.2 | -0.4 | 112.9 | F78 I79 | R75-F78 PolarHBondContact O-N 3.16Å; R75-I79 WeakPolarHBondContact O-CG1 3.32Å; R75-I79 PolarHBondContact O-N 2.89Å; R75-I79 VanDerWaalsContact O-N 3.11Å |
| 76 | L | 89.9 | Confident | 90.9 | Very high | 101 Ų | 101 | 70.7 Ų | 70.7 | 53% | 0.529 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -67.9 | -39.4 | 177.9 | 175.4 | 72 | 0 | 0 | 0 | 111.8 | M1 L74 F78 I79 L80 | M1-L76 HydrophobicContact CE-CB 3.62Å; M1-L76 HydrophobicContact CE-CD2 3.8Å; M1-L76 HydrophobicContact CE-CG 3.95Å; M1-L76 HydrophobicContact SD-CD2 3.97Å; M1-L76 HydrophobicContact SD-CG 4.38Å; L74-L76 PolarHBondContact O-N 2.91Å; L76-F78 VanDerWaalsContact C-N 3.34Å; L76-I79 PolarHBondContact O-N 3.41Å; L76-L80 HydrophobicContact CD1-CD1 4.16Å; L76-L80 HydrophobicContact CD1-CG 4.31Å; L76-L80 HydrophobicContact CG-CD1 3.94Å; L76-L80 HydrophobicContact CG-CG 4.48Å; L76-L80 WeakPolarHBondContact O-CB 3.46Å; L76-L80 VanDerWaalsContact O-CG 3.28Å; L76-L80 WeakPolarHBondContact O-CG 3.42Å; L76-L80 PolarHBondContact O-N 2.88Å |
| 77 | E | 91 | Very high | 91.2 | Very high | 19 Ų | 19 | 76 Ų | 76 | 9% | 0.089 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -64.7 | -41.4 | 175.2 | -82.6 | 157.8 | 161.1 | 0 | 0 | 111 | M1 K5 L74 I79 L80 S81 | M1-E77 HydrophobicContact CE-CB 4.27Å; M1-E77 HydrophobicContact CE-CG 3.52Å; M1-E77 HydrophobicContact SD-CG 3.54Å; M1-E77 VanDerWaalsContact SD-CG 3.54Å; K5-E77 WeakPolarHBondContact CE-OE1 3.45Å; K5-E77 WeakPolarHBondContact CE-OE2 3.33Å; K5-E77 IonicContact NZ-OE1 3.04Å; K5-E77 PolarHBondContact NZ-OE1 3.45Å; K5-E77 IonicContact NZ-OE2 2.62Å; K5-E77 PolarHBondContact NZ-OE2 3.04Å; L74-E77 WeakPolarHBondContact CB-OE2 3.28Å; L74-E77 PolarHBondContact N-OE2 3.46Å; L74-E77 WeakPolarHBondContact O-CB 3.39Å; L74-E77 PolarHBondContact O-N 3.41Å; E77-I79 PolarHBondContact O-N 3.38Å; E77-L80 PolarHBondContact O-N 2.98Å; E77-S81 VanDerWaalsContact O-CB 3.3Å; E77-S81 WeakPolarHBondContact O-CB 3.28Å; E77-S81 PolarHBondContact O-N 3.39Å; E77-S81 PolarHBondContact O-OG 3.11Å; E77-S81 VanDerWaalsContact O-OG 3.12Å |
| 78 | F | 91.6 | Very high | 91.4 | Very high | 102 Ų | 102 | 75 Ų | 75 | 45% | 0.447 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -59 | -48.1 | 176.6 | -177 | -93.6 | 0 | 0 | 0 | 112 | L67 V73 L74 R75 L76 A82 | L67-F78 HydrophobicContact CD1-CD2 3.67Å; L67-F78 HydrophobicContact CD1-CE2 3.85Å; L67-F78 HydrophobicContact CD1-CG 4.3Å; L67-F78 HydrophobicContact CD2-CE2 4.45Å; L67-F78 HydrophobicContact CG-CD2 4.06Å; L67-F78 HydrophobicContact CG-CE2 4.04Å; V73-F78 HydrophobicContact CG1-CB 4.09Å; L74-F78 PolarHBondContact O-N 2.6Å; R75-F78 PolarHBondContact O-N 3.16Å; L76-F78 VanDerWaalsContact C-N 3.34Å; F78-A82 VanDerWaalsContact O-CB 3.27Å; F78-A82 WeakPolarHBondContact O-CB 3.25Å; F78-A82 PolarHBondContact O-N 3.29Å |
| 79 | I | 94.6 | Very high | 91.6 | Very high | 103 Ų | 103 | 71 Ų | 71 | 53% | 0.528 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62.9 | -47 | 178.7 | -66.4 | 167 | 0 | 0 | 0 | 110.5 | R75 L76 E77 A82 V83 | R75-I79 WeakPolarHBondContact O-CG1 3.32Å; R75-I79 PolarHBondContact O-N 2.89Å; R75-I79 VanDerWaalsContact O-N 3.11Å; L76-I79 PolarHBondContact O-N 3.41Å; E77-I79 PolarHBondContact O-N 3.38Å; I79-A82 PolarHBondContact O-N 2.9Å; I79-V83 HydrophobicContact CG2-CG2 4.46Å; I79-V83 WeakPolarHBondContact O-CB 3.48Å; I79-V83 VanDerWaalsContact O-CG2 3.28Å; I79-V83 WeakPolarHBondContact O-CG2 3.35Å; I79-V83 PolarHBondContact O-N 3.03Å |
| 80 | L | 93.8 | Very high | 91.9 | Very high | 101 Ų | 101 | 69.5 Ų | 69.5 | 53% | 0.529 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62.2 | -46.1 | -179.8 | -72.6 | 170.8 | 0 | 0 | 0 | 111.9 | L76 E77 V83 L84 | L76-L80 HydrophobicContact CD1-CD1 4.16Å; L76-L80 HydrophobicContact CD1-CG 4.31Å; L76-L80 HydrophobicContact CG-CD1 3.94Å; L76-L80 HydrophobicContact CG-CG 4.48Å; L76-L80 WeakPolarHBondContact O-CB 3.46Å; L76-L80 VanDerWaalsContact O-CG 3.28Å; L76-L80 WeakPolarHBondContact O-CG 3.42Å; L76-L80 PolarHBondContact O-N 2.88Å; E77-L80 PolarHBondContact O-N 2.98Å; L80-V83 PolarHBondContact O-N 3.5Å; L80-L84 WeakPolarHBondContact O-CB 3.2Å; L80-L84 PolarHBondContact O-N 2.94Å |
| 81 | S | 93.1 | Very high | 92.2 | Very high | 14 Ų | 14 | 72 Ų | 72 | 10% | 0.098 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -66.7 | -37 | 178.6 | -66.5 | 0 | 0 | 0 | 0 | 112.2 | E77 L84 L85 | E77-S81 VanDerWaalsContact O-CB 3.3Å; E77-S81 WeakPolarHBondContact O-CB 3.28Å; E77-S81 PolarHBondContact O-N 3.39Å; E77-S81 PolarHBondContact O-OG 3.11Å; E77-S81 VanDerWaalsContact O-OG 3.12Å; S81-L84 PolarHBondContact O-N 2.92Å; S81-L85 WeakPolarHBondContact O-CG 3.34Å; S81-L85 PolarHBondContact O-N 3Å |
| 82 | A | 93.9 | Very high | 92.6 | Very high | 41 Ų | 41 | 72.8 Ų | 72.8 | 34% | 0.339 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -65.2 | -44.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | L67 F78 I79 L84 L85 C86 | L67-A82 HydrophobicContact CD1-CB 4.37Å; F78-A82 VanDerWaalsContact O-CB 3.27Å; F78-A82 WeakPolarHBondContact O-CB 3.25Å; F78-A82 PolarHBondContact O-N 3.29Å; I79-A82 PolarHBondContact O-N 2.9Å; A82-L84 VanDerWaalsContact C-N 3.35Å; A82-L85 PolarHBondContact O-N 3.28Å; A82-C86 PolarHBondContact O-N 2.85Å; A82-C86 VanDerWaalsContact O-N 3.1Å |
| 83 | V | 96.3 | Very high | 93.2 | Very high | 70 Ų | 70 | 74 Ų | 74 | 42% | 0.424 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.1 | -42.7 | 175.2 | 170.1 | 0 | 0 | 0 | 0 | 110.7 | I79 L80 L85 C86 F87 | I79-V83 HydrophobicContact CG2-CG2 4.46Å; I79-V83 WeakPolarHBondContact O-CB 3.48Å; I79-V83 VanDerWaalsContact O-CG2 3.28Å; I79-V83 WeakPolarHBondContact O-CG2 3.35Å; I79-V83 PolarHBondContact O-N 3.03Å; L80-V83 PolarHBondContact O-N 3.5Å; V83-L85 PolarHBondContact O-N 3.39Å; V83-C86 WeakPolarHBondContact O-CB 3.4Å; V83-C86 PolarHBondContact O-N 2.96Å; V83-F87 HydrophobicContact CG1-CD2 3.79Å; V83-F87 HydrophobicContact CG1-CE2 3.43Å; V83-F87 VanDerWaalsContact CG1-CE2 3.43Å; V83-F87 VanDerWaalsContact O-CD2 3.24Å; V83-F87 WeakPolarHBondContact O-CD2 3.27Å; V83-F87 PolarHBondContact O-N 3.42Å |
| 84 | L | 94.8 | Very high | 93.4 | Very high | 51 Ų | 51 | 77 Ų | 77 | 27% | 0.267 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -60 | -44.4 | 176.7 | -174.8 | 65.1 | 0 | 0 | 0 | 112.1 | F26 A63 L80 S81 A82 C86 F87 Y88 | F26-L84 HydrophobicContact CE1-CD2 4.07Å; F26-L84 HydrophobicContact CZ-CD2 3.76Å; A63-L84 HydrophobicContact CB-CD2 4.31Å; L80-L84 WeakPolarHBondContact O-CB 3.2Å; L80-L84 PolarHBondContact O-N 2.94Å; S81-L84 PolarHBondContact O-N 2.92Å; A82-L84 VanDerWaalsContact C-N 3.35Å; L84-C86 VanDerWaalsContact C-N 3.3Å; L84-C86 PolarHBondContact O-N 3.26Å; L84-F87 PolarHBondContact O-N 3.28Å; L84-F87 VanDerWaalsContact O-N 3.16Å; L84-Y88 HydrophobicContact CD1-CD1 4.4Å; L84-Y88 HydrophobicContact CD1-CE1 3.74Å; L84-Y88 HydrophobicContact CD2-CE2 4.28Å; L84-Y88 HydrophobicContact CG-CE1 3.96Å; L84-Y88 HydrophobicContact CG-CE2 4.04Å; L84-Y88 PolarHBondContact O-N 3.44Å |
| 85 | L | 94.8 | Very high | 93.4 | Very high | 46 Ų | 46 | 75.9 Ų | 75.9 | 24% | 0.241 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -62.4 | -36.7 | 176.1 | -76 | 169.9 | 0 | 0 | 0 | 112.4 | A63 V64 L67 S81 A82 V83 Y88 G89 | A63-L85 HydrophobicContact CB-CD2 3.97Å; A63-L85 HydrophobicContact CB-CG 4.28Å; V64-L85 HydrophobicContact CG2-CD1 4.33Å; V64-L85 HydrophobicContact CG2-CD2 4.17Å; L67-L85 HydrophobicContact CD2-CD1 4.09Å; S81-L85 WeakPolarHBondContact O-CG 3.34Å; S81-L85 PolarHBondContact O-N 3Å; A82-L85 PolarHBondContact O-N 3.28Å; V83-L85 PolarHBondContact O-N 3.39Å; L85-Y88 HydrophobicContact CD2-CD2 4.22Å; L85-Y88 PolarHBondContact O-N 3.07Å; L85-G89 PolarHBondContact O-N 3.47Å |
| 86 | C | 96.3 | Very high | 93.4 | Very high | 82 Ų | 82 | 68.1 Ų | 68.1 | 55% | 0.554 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -61.3 | -45.7 | 173.2 | -172.5 | 0 | 0 | 0 | 0 | 111.2 | A82 V83 L84 Y88 G89 L90 | A82-C86 PolarHBondContact O-N 2.85Å; A82-C86 VanDerWaalsContact O-N 3.1Å; V83-C86 WeakPolarHBondContact O-CB 3.4Å; V83-C86 PolarHBondContact O-N 2.96Å; L84-C86 VanDerWaalsContact C-N 3.3Å; L84-C86 PolarHBondContact O-N 3.26Å; C86-Y88 PolarHBondContact O-N 3.2Å; C86-G89 PolarHBondContact O-N 2.93Å; C86-L90 PolarHBondContact O-N 3.43Å |
| 87 | F | 95.7 | Very high | 93.4 | Very high | 125 Ų | 125 | 68.2 Ų | 68.2 | 55% | 0.548 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63.1 | -38.8 | 175.4 | -75.3 | -60.8 | 0 | 0 | 0 | 112.9 | V83 L84 G89 L90 E91 | V83-F87 HydrophobicContact CG1-CD2 3.79Å; V83-F87 HydrophobicContact CG1-CE2 3.43Å; V83-F87 VanDerWaalsContact CG1-CE2 3.43Å; V83-F87 VanDerWaalsContact O-CD2 3.24Å; V83-F87 WeakPolarHBondContact O-CD2 3.27Å; V83-F87 PolarHBondContact O-N 3.42Å; L84-F87 PolarHBondContact O-N 3.28Å; L84-F87 VanDerWaalsContact O-N 3.16Å; F87-G89 VanDerWaalsContact C-N 3.3Å; F87-G89 PolarHBondContact O-N 3.25Å; F87-L90 HydrophobicContact CD1-CD1 4.4Å; F87-L90 PolarHBondContact O-N 3.44Å; F87-E91 WeakPolarHBondContact O-CB 3.35Å; F87-E91 PolarHBondContact O-N 3.38Å |
| 88 | Y | 95.3 | Very high | 93.2 | Very high | 5 Ų | 5 | 68.5 Ų | 68.5 | 2% | 0.02 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -61.4 | -38.8 | 173.4 | -69.5 | -11.4 | 0 | 0 | 0 | 112.5 | F26 E30 R33 L56 C59 T60 A63 L84 L85 C86 E91 F92 | F26-Y88 WeakPolarHBondContact CE2-OH 3.4Å; F26-Y88 WeakPolarHBondContact CZ-OH 3.24Å; E30-Y88 PolarHBondContact OE1-OH 3.42Å; R33-Y88 VanDerWaalsContact CZ-CE1 3.42Å; L56-Y88 HydrophobicContact CD1-CD1 3.82Å; L56-Y88 HydrophobicContact CD1-CD2 4.44Å; L56-Y88 HydrophobicContact CD1-CE1 4.36Å; L56-Y88 HydrophobicContact CD1-CG 3.85Å; C59-Y88 HydrophobicContact CB-CE2 4.23Å; T60-Y88 HydrophobicContact CG2-CD2 3.45Å; T60-Y88 VanDerWaalsContact CG2-CD2 3.45Å; T60-Y88 HydrophobicContact CG2-CE2 4.16Å; T60-Y88 HydrophobicContact CG2-CG 4.09Å; A63-Y88 HydrophobicContact CB-CE2 3.89Å; L84-Y88 HydrophobicContact CD1-CD1 4.4Å; L84-Y88 HydrophobicContact CD1-CE1 3.74Å; L84-Y88 HydrophobicContact CD2-CE2 4.28Å; L84-Y88 HydrophobicContact CG-CE1 3.96Å; L84-Y88 HydrophobicContact CG-CE2 4.04Å; L84-Y88 PolarHBondContact O-N 3.44Å; L85-Y88 HydrophobicContact CD2-CD2 4.22Å; L85-Y88 PolarHBondContact O-N 3.07Å; C86-Y88 PolarHBondContact O-N 3.2Å; Y88-E91 PolarHBondContact O-N 2.81Å; Y88-F92 WeakPolarHBondContact O-CB 3.1Å; Y88-F92 PolarHBondContact O-N 3.43Å |
| 89 | G | 94 | Very high | 93 | Very high | 37 Ų | 37 | 65 Ų | 65 | 38% | 0.381 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -62.1 | -44.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L85 C86 F87 F92 L93 | L85-G89 PolarHBondContact O-N 3.47Å; C86-G89 PolarHBondContact O-N 2.93Å; F87-G89 VanDerWaalsContact C-N 3.3Å; F87-G89 PolarHBondContact O-N 3.25Å; G89-F92 PolarHBondContact O-N 2.93Å; G89-L93 WeakPolarHBondContact O-CG 3.34Å; G89-L93 PolarHBondContact O-N 3.19Å |
| 90 | L | 94.3 | Very high | 92.6 | Very high | 89 Ų | 89 | 63.1 Ų | 63.1 | 47% | 0.466 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -64 | -43.9 | 175.6 | -69.7 | 174.2 | 0 | 0 | 0 | 112 | C86 F87 F92 L93 L94 | C86-L90 PolarHBondContact O-N 3.43Å; F87-L90 HydrophobicContact CD1-CD1 4.4Å; F87-L90 PolarHBondContact O-N 3.44Å; L90-F92 VanDerWaalsContact C-N 3.33Å; L90-F92 PolarHBondContact O-N 3.45Å; L90-L93 PolarHBondContact O-N 3.18Å; L90-L94 WeakPolarHBondContact O-CB 3.41Å; L90-L94 VanDerWaalsContact O-CG 3.32Å; L90-L94 WeakPolarHBondContact O-CG 3.07Å; L90-L94 PolarHBondContact O-N 3.18Å |
| 91 | E | 93.1 | Very high | 92.2 | Very high | 61 Ų | 61 | 60.4 Ų | 60.4 | 29% | 0.285 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61 | -42.2 | 177.4 | -176.5 | 177.4 | 143.2 | 0 | 0 | 111.9 | R33 F87 Y88 L93 L94 C95 | R33-E91 IonicContact CZ-OE1 3.63Å; R33-E91 IonicContact CZ-OE2 3.37Å; R33-E91 IonicContact NE-OE1 3.97Å; R33-E91 IonicContact NH1-OE1 3.03Å; R33-E91 PolarHBondContact NH1-OE1 3.41Å; R33-E91 IonicContact NH1-OE2 2.6Å; R33-E91 PolarHBondContact NH1-OE2 3.47Å; R33-E91 IonicContact NH2-OE2 3.64Å; F87-E91 WeakPolarHBondContact O-CB 3.35Å; F87-E91 PolarHBondContact O-N 3.38Å; Y88-E91 PolarHBondContact O-N 2.81Å; E91-L93 PolarHBondContact O-N 3.46Å; E91-L94 PolarHBondContact O-N 3Å; E91-C95 WeakPolarHBondContact O-CB 3.24Å; E91-C95 PolarHBondContact O-N 3.33Å |
| 92 | F | 93.4 | Very high | 91.7 | Very high | 84 Ų | 84 | 60.9 Ų | 60.9 | 37% | 0.368 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -56.9 | -49.7 | 174.7 | 178.7 | -92.5 | 0 | 0 | 0 | 111.3 | L53 L56 Y88 G89 L90 C95 V96 | L53-F92 HydrophobicContact CD1-CD2 3.43Å; L53-F92 VanDerWaalsContact CD1-CD2 3.43Å; L53-F92 HydrophobicContact CD1-CE2 3.85Å; L53-F92 HydrophobicContact CD1-CG 4.35Å; L53-F92 HydrophobicContact CD2-CE2 4.44Å; L53-F92 HydrophobicContact CG-CD2 4.46Å; L53-F92 HydrophobicContact CG-CE2 4.46Å; L56-F92 HydrophobicContact CD2-CB 3.96Å; L56-F92 HydrophobicContact CD2-CD2 4.29Å; Y88-F92 WeakPolarHBondContact O-CB 3.1Å; Y88-F92 PolarHBondContact O-N 3.43Å; G89-F92 PolarHBondContact O-N 2.93Å; L90-F92 VanDerWaalsContact C-N 3.33Å; L90-F92 PolarHBondContact O-N 3.45Å; F92-C95 PolarHBondContact O-N 3.1Å; F92-V96 HydrophobicContact CD1-CG2 4.44Å; F92-V96 HydrophobicContact CE1-CG2 4.07Å; F92-V96 HydrophobicContact CE2-CG2 4.46Å; F92-V96 HydrophobicContact CZ-CG2 4.06Å; F92-V96 WeakPolarHBondContact O-CG2 3.33Å; F92-V96 PolarHBondContact O-N 3.05Å |
| 93 | L | 94.6 | Very high | 90.9 | Very high | 100 Ų | 100 | 61.9 Ų | 61.9 | 52% | 0.524 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61.7 | -48.4 | 179.4 | -67.9 | 173.7 | 0 | 0 | 0 | 111.8 | G89 L90 E91 C95 V96 I97 | G89-L93 WeakPolarHBondContact O-CG 3.34Å; G89-L93 PolarHBondContact O-N 3.19Å; L90-L93 PolarHBondContact O-N 3.18Å; E91-L93 PolarHBondContact O-N 3.46Å; L93-C95 VanDerWaalsContact C-N 3.33Å; L93-C95 PolarHBondContact O-N 3.39Å; L93-V96 PolarHBondContact O-N 3.42Å; L93-I97 VanDerWaalsContact O-CG1 3.29Å; L93-I97 WeakPolarHBondContact O-CG1 3.41Å; L93-I97 PolarHBondContact O-N 2.67Å |
| 94 | L | 90.9 | Very high | 90 | Very high | 119 Ų | 119 | 66.9 Ų | 66.9 | 62% | 0.623 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -63.4 | -39.9 | 179.2 | -68.6 | 174.1 | 0 | 0 | 0 | 111.8 | L90 E91 I97 S98 | L90-L94 WeakPolarHBondContact O-CB 3.41Å; L90-L94 VanDerWaalsContact O-CG 3.32Å; L90-L94 WeakPolarHBondContact O-CG 3.07Å; L90-L94 PolarHBondContact O-N 3.18Å; E91-L94 PolarHBondContact O-N 3Å; L94-I97 PolarHBondContact O-N 3.01Å; L94-S98 WeakPolarHBondContact O-CB 3.47Å; L94-S98 PolarHBondContact O-N 3.46Å |
| 95 | C | 89.6 | Confident | 88.7 | Confident | 14 Ų | 14 | 67.7 Ų | 67.7 | 10% | 0.095 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -63.4 | -46.1 | 177.5 | -173.8 | 0 | 0 | 0 | 0 | 111.3 | S49 L53 E91 F92 L93 I97 S98 I99 | S49-C95 PolarHBondContact OG-SG 3.18Å; L53-C95 HydrophobicContact CD1-CB 4.29Å; E91-C95 WeakPolarHBondContact O-CB 3.24Å; E91-C95 PolarHBondContact O-N 3.33Å; F92-C95 PolarHBondContact O-N 3.1Å; L93-C95 VanDerWaalsContact C-N 3.33Å; L93-C95 PolarHBondContact O-N 3.39Å; C95-I97 VanDerWaalsContact C-N 3.34Å; C95-I97 PolarHBondContact O-N 2.97Å; C95-S98 PolarHBondContact O-N 3.45Å; C95-S98 PolarHBondContact O-OG 2.91Å; C95-I99 WeakPolarHBondContact O-CG1 3.32Å; C95-I99 PolarHBondContact O-N 3.21Å |
| 96 | V | 89.6 | Confident | 87 | Confident | 66 Ų | 66 | 73.8 Ų | 73.8 | 40% | 0.4 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -60 | -44.7 | 176.1 | 170.7 | 0 | 0 | 0 | 0 | 111.4 | F92 L93 S98 I99 S100 | F92-V96 HydrophobicContact CD1-CG2 4.44Å; F92-V96 HydrophobicContact CE1-CG2 4.07Å; F92-V96 HydrophobicContact CE2-CG2 4.46Å; F92-V96 HydrophobicContact CZ-CG2 4.06Å; F92-V96 WeakPolarHBondContact O-CG2 3.33Å; F92-V96 PolarHBondContact O-N 3.05Å; L93-V96 PolarHBondContact O-N 3.42Å; V96-S98 VanDerWaalsContact C-N 3.35Å; V96-S98 PolarHBondContact O-N 3.38Å; V96-I99 PolarHBondContact O-N 3.4Å; V96-S100 PolarHBondContact O-N 3.31Å |
| 97 | I | 90.4 | Very high | 85.2 | Confident | 104 Ų | 104 | 75.6 Ų | 75.6 | 53% | 0.533 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -60.1 | -46.7 | 176.3 | -66.7 | 165.1 | 0 | 0 | 0 | 110.1 | L93 L94 C95 I99 S100 A101 | L93-I97 VanDerWaalsContact O-CG1 3.29Å; L93-I97 WeakPolarHBondContact O-CG1 3.41Å; L93-I97 PolarHBondContact O-N 2.67Å; L94-I97 PolarHBondContact O-N 3.01Å; C95-I97 VanDerWaalsContact C-N 3.34Å; C95-I97 PolarHBondContact O-N 2.97Å; I97-I99 PolarHBondContact O-N 3.46Å; I97-S100 PolarHBondContact O-N 3.01Å; I97-S100 PolarHBondContact O-OG 2.89Å; I97-A101 PolarHBondContact O-N 3.49Å |
| 98 | S | 87.5 | Confident | 82.7 | Confident | 24 Ų | 24 | 81.6 Ų | 81.6 | 17% | 0.168 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -59.5 | -44.4 | 179.1 | 78.1 | 0 | 0 | 0 | 0 | 112.2 | L94 C95 V96 S100 A101 F102 | L94-S98 WeakPolarHBondContact O-CB 3.47Å; L94-S98 PolarHBondContact O-N 3.46Å; C95-S98 PolarHBondContact O-N 3.45Å; C95-S98 PolarHBondContact O-OG 2.91Å; V96-S98 VanDerWaalsContact C-N 3.35Å; V96-S98 PolarHBondContact O-N 3.38Å; S98-S100 VanDerWaalsContact C-N 3.33Å; S98-S100 PolarHBondContact O-N 3.3Å; S98-A101 PolarHBondContact O-N 3.48Å; S98-F102 WeakPolarHBondContact O-CD2 3.38Å; S98-F102 VanDerWaalsContact O-CG 3.24Å; S98-F102 WeakPolarHBondContact O-CG 3.5Å; S98-F102 PolarHBondContact O-N 3.21Å |
| 99 | I | 86.9 | Confident | 82.1 | Confident | 28 Ų | 28 | 85.5 Ų | 85.5 | 14% | 0.144 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -63.1 | -42.3 | 178.8 | -69.4 | 164.1 | 0 | 0 | 0 | 110.3 | L50 C95 V96 I97 A101 F102 S103 | L50-I99 HydrophobicContact CD2-CD1 3.81Å; L50-I99 HydrophobicContact CG-CD1 4.01Å; C95-I99 WeakPolarHBondContact O-CG1 3.32Å; C95-I99 PolarHBondContact O-N 3.21Å; V96-I99 PolarHBondContact O-N 3.4Å; I97-I99 PolarHBondContact O-N 3.46Å; I99-A101 VanDerWaalsContact C-N 3.33Å; I99-A101 PolarHBondContact O-N 2.94Å; I99-F102 PolarHBondContact O-N 3.01Å; I99-S103 WeakPolarHBondContact O-CB 3.43Å; I99-S103 PolarHBondContact O-N 3.47Å; I99-S103 PolarHBondContact O-OG 2.72Å |
| 100 | S | 86.3 | Confident | 81.5 | Confident | 65 Ų | 65 | 88 Ų | 88 | 46% | 0.455 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -66.3 | -34.2 | 177.6 | 77 | 0 | 0 | 0 | 0 | 113 | V96 I97 S98 S103 R104 | V96-S100 PolarHBondContact O-N 3.31Å; I97-S100 PolarHBondContact O-N 3.01Å; I97-S100 PolarHBondContact O-OG 2.89Å; S98-S100 VanDerWaalsContact C-N 3.33Å; S98-S100 PolarHBondContact O-N 3.3Å; S100-S103 PolarHBondContact O-OG 3.06Å; S100-R104 PolarHBondContact O-N 3.37Å |
| 101 | A | 86.3 | Confident | 80.8 | Confident | 43 Ų | 43 | 87.9 Ų | 87.9 | 36% | 0.355 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -70.1 | -43.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | I97 S98 I99 R104 S105 | I97-A101 PolarHBondContact O-N 3.49Å; S98-A101 PolarHBondContact O-N 3.48Å; I99-A101 VanDerWaalsContact C-N 3.33Å; I99-A101 PolarHBondContact O-N 2.94Å; A101-R104 PolarHBondContact O-N 2.94Å; A101-S105 PolarHBondContact O-N 3.25Å; A101-S105 VanDerWaalsContact O-N 3.15Å |
| 102 | F | 81.6 | Confident | 80.1 | Confident | 24 Ų | 24 | 89.5 Ų | 89.5 | 11% | 0.105 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -70.7 | -34.9 | 178.1 | -60.5 | -38.6 | 0 | 0 | 0 | 113.2 | E44 S98 I99 R104 S105 R106 | E44-F102 HydrophobicContact CB-CD1 4Å; E44-F102 HydrophobicContact CB-CE1 3.91Å; E44-F102 HydrophobicContact CB-CZ 4.34Å; E44-F102 HydrophobicContact CG-CD1 4.24Å; E44-F102 HydrophobicContact CG-CE1 3.72Å; E44-F102 HydrophobicContact CG-CZ 4.19Å; S98-F102 WeakPolarHBondContact O-CD2 3.38Å; S98-F102 VanDerWaalsContact O-CG 3.24Å; S98-F102 WeakPolarHBondContact O-CG 3.5Å; S98-F102 PolarHBondContact O-N 3.21Å; I99-F102 PolarHBondContact O-N 3.01Å; F102-R104 VanDerWaalsContact C-N 3.27Å; F102-R104 PolarHBondContact O-N 3.42Å; F102-S105 PolarHBondContact O-N 3.35Å; F102-S105 PolarHBondContact O-OG 3.31Å; F102-R106 PolarHBondContact O-N 3.15Å |
| 103 | S | 77.4 | Confident | 79.2 | Confident | 63 Ų | 63 | 89.9 Ų | 89.9 | 44% | 0.441 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -65.6 | -34.9 | 175.6 | 66.5 | 0 | 0 | 0 | 0 | 111.4 | I99 S100 V107 | I99-S103 WeakPolarHBondContact O-CB 3.43Å; I99-S103 PolarHBondContact O-N 3.47Å; I99-S103 PolarHBondContact O-OG 2.72Å; S100-S103 PolarHBondContact O-OG 3.06Å; S103-V107 WeakPolarHBondContact O-CG2 3.29Å |
| 104 | R | 76.6 | Confident | 78.2 | Confident | 175 Ų | 175 | 89.2 Ų | 89.2 | 66% | 0.66 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -70.7 | -38.3 | 175.2 | -170.1 | 175.8 | 65.9 | -177.8 | 0.1 | 112.9 | S100 A101 F102 R106 V107 Y108 | S100-R104 PolarHBondContact O-N 3.37Å; A101-R104 PolarHBondContact O-N 2.94Å; F102-R104 VanDerWaalsContact C-N 3.27Å; F102-R104 PolarHBondContact O-N 3.42Å; R104-R106 VanDerWaalsContact C-N 3.33Å; R104-R106 PolarHBondContact O-N 3.4Å; R104-V107 PolarHBondContact O-N 3.28Å; R104-Y108 HydrophobicContact CG-CE2 4.37Å |
| 105 | S | 68.8 | Low | 77.3 | Confident | 67 Ų | 67 | 87.1 Ų | 87.1 | 47% | 0.469 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -70.4 | -27.8 | -179.5 | 83.5 | 0 | 0 | 0 | 0 | 113.3 | A101 F102 V107 | A101-S105 PolarHBondContact O-N 3.25Å; A101-S105 VanDerWaalsContact O-N 3.15Å; F102-S105 PolarHBondContact O-N 3.35Å; F102-S105 PolarHBondContact O-OG 3.31Å; S105-V107 VanDerWaalsContact C-N 3.25Å; S105-V107 PolarHBondContact O-N 3.39Å |
| 106 | R | 58.9 | Low | 76.3 | Confident | 175 Ų | 175 | 92.7 Ų | 92.7 | 66% | 0.66 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | -16.5 | 174.3 | -78.3 | -168.1 | -172.8 | -142.4 | -2.9 | 114.9 | F102 R104 | F102-R106 PolarHBondContact O-N 3.15Å; R104-R106 VanDerWaalsContact C-N 3.33Å; R104-R106 PolarHBondContact O-N 3.4Å |
| 107 | V | 57.9 | Low | 75.2 | Confident | 119 Ų | 119 | 94.9 Ų | 94.9 | 72% | 0.721 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89 | -13.1 | -175.6 | 174 | 0 | 0 | 0 | 0 | 111.9 | S103 R104 S105 | S103-V107 WeakPolarHBondContact O-CG2 3.29Å; R104-V107 PolarHBondContact O-N 3.28Å; S105-V107 VanDerWaalsContact C-N 3.25Å; S105-V107 PolarHBondContact O-N 3.39Å |
| 108 | Y | 44.2 | Very low | 73.9 | Confident | 252 Ų | 252 | 94.1 Ų | 94.1 | 99% | 0.988 | 47% | 0.47 | S | S | * | . | trans | -107 | 0 | 172.3 | -69.7 | -82.4 | 0 | 0 | 0 | 110.6 | R104 | R104-Y108 HydrophobicContact CG-CE2 4.37Š|
Retrieved 108 of 108 residues in 261.9 ms
(Link to these results)