| 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 | 59.9 | Low | 75.3 | Confident | 132 Ų | 132 | 95.9 Ų | 95.9 | 65% | 0.65 | 49% | 0.491 | S | S | * | . | 0 | 122.1 | 0 | -160.1 | 149.4 | 84.8 | 0 | 0 | 108.9 | H5 K6 L9 L84 | M1-H5 HydrophobicContact CG-CB 3.43Å; M1-H5 VanDerWaalsContact CG-CB 3.43Å; M1-H5 HydrophobicContact SD-CB 4.19Å; M1-K6 HydrophobicContact CB-CG 4.15Å; M1-K6 HydrophobicContact CE-CB 4.24Å; M1-K6 HydrophobicContact CE-CG 3.65Å; M1-K6 HydrophobicContact CG-CG 4.06Å; M1-L9 HydrophobicContact CE-CB 4.34Å; M1-L9 HydrophobicContact CE-CD2 3.68Å; M1-L84 HydrophobicContact CE-CD2 3.41Å; M1-L84 VanDerWaalsContact CE-CD2 3.41Å | |||
| 2 | N | 73.1 | Confident | 75.9 | Confident | 98 Ų | 98 | 96.8 Ų | 96.8 | 52% | 0.524 | 50% | 0.496 | S | S | . | . | trans | -67.6 | 159 | 177 | 66.5 | 18.6 | 0 | 0 | 0 | 110.6 | A4 H5 K6 | N2-A4 VanDerWaalsContact C-N 3.25Å; N2-A4 PolarHBondContact O-N 2.89Å; N2-H5 PolarHBondContact O-N 2.76Å; N2-H5 VanDerWaalsContact O-N 3.13Å; N2-H5 VanDerWaalsContact OD1-CB 3.22Å; N2-H5 WeakPolarHBondContact OD1-CB 3.45Å; N2-H5 PolarHBondContact OD1-N 3.06Å; N2-H5 PolarHBondContact OD1-ND1 2.57Å; N2-K6 PolarHBondContact O-N 2.94Å; N2-K6 VanDerWaalsContact O-N 3.08Å | ||
| 3 | A | 74.6 | Confident | 76.2 | Confident | 81 Ų | 81 | 90.4 Ų | 90.4 | 67% | 0.669 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -58.2 | -36.4 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113 | K6 Y7 | A3-K6 WeakPolarHBondContact O-CB 3.43Å; A3-K6 PolarHBondContact O-N 2.82Å; A3-Y7 PolarHBondContact O-N 3.03Å |
| 4 | A | 74.9 | Confident | 76.4 | Confident | 71 Ų | 71 | 90.3 Ų | 90.3 | 59% | 0.587 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -63.4 | -42.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | N2 Y7 K8 | N2-A4 VanDerWaalsContact C-N 3.25Å; N2-A4 PolarHBondContact O-N 2.89Å; A4-Y7 PolarHBondContact O-N 3.35Å; A4-K8 WeakPolarHBondContact O-CB 3.21Å; A4-K8 PolarHBondContact O-N 3.03Å |
| 5 | H | 74.8 | Confident | 76.7 | Confident | 109 Ų | 109 | 91.7 Ų | 91.7 | 51% | 0.505 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -66.1 | -38.1 | 173.9 | -86.8 | 140.1 | 0 | 0 | 0 | 112.3 | M1 N2 K8 L9 | M1-H5 HydrophobicContact CG-CB 3.43Å; M1-H5 VanDerWaalsContact CG-CB 3.43Å; M1-H5 HydrophobicContact SD-CB 4.19Å; N2-H5 PolarHBondContact O-N 2.76Å; N2-H5 VanDerWaalsContact O-N 3.13Å; N2-H5 VanDerWaalsContact OD1-CB 3.22Å; N2-H5 WeakPolarHBondContact OD1-CB 3.45Å; N2-H5 PolarHBondContact OD1-N 3.06Å; N2-H5 PolarHBondContact OD1-ND1 2.57Å; H5-K8 PolarHBondContact O-N 3.27Å; H5-L9 WeakPolarHBondContact O-CB 3.46Å; H5-L9 PolarHBondContact O-N 2.95Å |
| 6 | K | 74.1 | Confident | 77.2 | Confident | 51 Ų | 51 | 89.3 Ų | 89.3 | 22% | 0.222 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -57.7 | -52.3 | 173.4 | -70 | -172.7 | 170.2 | -166.1 | 0 | 111.5 | M1 N2 A3 K8 L9 Q10 L84 | M1-K6 HydrophobicContact CB-CG 4.15Å; M1-K6 HydrophobicContact CE-CB 4.24Å; M1-K6 HydrophobicContact CE-CG 3.65Å; M1-K6 HydrophobicContact CG-CG 4.06Å; N2-K6 PolarHBondContact O-N 2.94Å; N2-K6 VanDerWaalsContact O-N 3.08Å; A3-K6 WeakPolarHBondContact O-CB 3.43Å; A3-K6 PolarHBondContact O-N 2.82Å; K6-K8 PolarHBondContact O-N 3.32Å; K6-L9 PolarHBondContact O-N 3.32Å; K6-Q10 WeakPolarHBondContact O-CG 3.41Å; K6-Q10 PolarHBondContact O-N 3.38Å; K6-L84 HydrophobicContact CB-CD1 4.16Å; K6-L84 HydrophobicContact CB-CD2 4.12Å; K6-L84 HydrophobicContact CD-CD1 4.2Å; K6-L84 HydrophobicContact CD-CD2 4.29Å; K6-L84 HydrophobicContact CG-CD1 4.34Å; K6-L84 HydrophobicContact CG-CD2 3.85Å |
| 7 | Y | 77.8 | Confident | 77.4 | Confident | 154 Ų | 154 | 96 Ų | 96 | 60% | 0.604 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -61 | -44.2 | 178.9 | -179 | -103.6 | 0 | 0 | 0 | 112.4 | A3 A4 L9 Q10 K11 | A3-Y7 PolarHBondContact O-N 3.03Å; A4-Y7 PolarHBondContact O-N 3.35Å; Y7-L9 PolarHBondContact O-N 3.21Å; Y7-Q10 PolarHBondContact O-N 3.4Å; Y7-K11 WeakPolarHBondContact O-CB 3.31Å; Y7-K11 PolarHBondContact O-N 3.01Å |
| 8 | K | 80 | Confident | 77.8 | Confident | 134 Ų | 134 | 99.5 Ų | 99.5 | 58% | 0.583 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.9 | -43.2 | 177.4 | -171.3 | 177.5 | -179.6 | -178.1 | 0 | 112 | A4 H5 K6 L12 | A4-K8 WeakPolarHBondContact O-CB 3.21Å; A4-K8 PolarHBondContact O-N 3.03Å; H5-K8 PolarHBondContact O-N 3.27Å; K6-K8 PolarHBondContact O-N 3.32Å; K8-L12 HydrophobicContact CG-CD1 4.21Å; K8-L12 WeakPolarHBondContact O-CB 3.35Å; K8-L12 VanDerWaalsContact O-CG 3.27Å; K8-L12 WeakPolarHBondContact O-CG 3.4Å; K8-L12 PolarHBondContact O-N 2.78Å |
| 9 | L | 79.4 | Confident | 78.4 | Confident | 65 Ų | 65 | 98.9 Ų | 98.9 | 34% | 0.34 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.1 | -47.9 | 176.9 | -177.3 | 68.2 | 0 | 0 | 0 | 111.3 | M1 H5 K6 Y7 K11 L12 L13 V83 L84 | M1-L9 HydrophobicContact CE-CB 4.34Å; M1-L9 HydrophobicContact CE-CD2 3.68Å; H5-L9 WeakPolarHBondContact O-CB 3.46Å; H5-L9 PolarHBondContact O-N 2.95Å; K6-L9 PolarHBondContact O-N 3.32Å; Y7-L9 PolarHBondContact O-N 3.21Å; L9-K11 VanDerWaalsContact C-N 3.32Å; L9-K11 PolarHBondContact O-N 2.87Å; L9-L12 PolarHBondContact O-N 3.33Å; L9-L13 HydrophobicContact CD1-CD1 4.44Å; L9-L13 HydrophobicContact CG-CD1 4.07Å; L9-L13 VanDerWaalsContact O-CG 3.27Å; L9-L13 WeakPolarHBondContact O-CG 3.31Å; L9-L13 PolarHBondContact O-N 3.17Å; L9-V83 HydrophobicContact CD2-CG1 3.96Å; L9-V83 HydrophobicContact CG-CG1 4.34Å; L9-L84 HydrophobicContact CD2-CD2 4.44Å |
| 10 | Q | 80.5 | Confident | 79.1 | Confident | 50 Ų | 50 | 94.2 Ų | 94.2 | 23% | 0.234 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -56.7 | -46.7 | 177.3 | -72.9 | 180 | -50.7 | 0 | 0 | 111.5 | K6 Y7 L12 L13 M14 L28 L84 | K6-Q10 WeakPolarHBondContact O-CG 3.41Å; K6-Q10 PolarHBondContact O-N 3.38Å; Y7-Q10 PolarHBondContact O-N 3.4Å; Q10-L12 PolarHBondContact O-N 3.02Å; Q10-L13 PolarHBondContact O-N 2.96Å; Q10-M14 WeakPolarHBondContact O-CG 3.48Å; Q10-M14 PolarHBondContact O-N 3.01Å; Q10-L28 HydrophobicContact CB-CD2 3.75Å; Q10-L28 HydrophobicContact CG-CB 4.41Å; Q10-L28 HydrophobicContact CG-CD2 3.67Å; Q10-L84 HydrophobicContact CG-CD1 3.99Å; Q10-L84 HydrophobicContact CG-CG 4.47Å; Q10-L84 VanDerWaalsContact NE2-CD1 3.3Å |
| 11 | K | 79.9 | Confident | 79.8 | Confident | 110 Ų | 110 | 89.7 Ų | 89.7 | 48% | 0.478 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -62.1 | -44.3 | 178.1 | -173.7 | 173.2 | -179.5 | 179.1 | 0 | 112.5 | Y7 L9 L13 M14 D15 | Y7-K11 WeakPolarHBondContact O-CB 3.31Å; Y7-K11 PolarHBondContact O-N 3.01Å; L9-K11 VanDerWaalsContact C-N 3.32Å; L9-K11 PolarHBondContact O-N 2.87Å; K11-L13 VanDerWaalsContact C-N 3.26Å; K11-L13 PolarHBondContact O-N 3.46Å; K11-M14 PolarHBondContact O-N 3.37Å; K11-D15 WeakPolarHBondContact CE-OD2 3.22Å; K11-D15 WeakPolarHBondContact CG-OD2 3.5Å; K11-D15 WeakPolarHBondContact O-CB 3.16Å; K11-D15 VanDerWaalsContact O-CG 3.3Å; K11-D15 PolarHBondContact O-N 3.36Å |
| 12 | L | 82.4 | Confident | 81.4 | Confident | 106 Ų | 106 | 83.6 Ų | 83.6 | 56% | 0.555 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -60.3 | -36.3 | 177.2 | -76 | 168.4 | 0 | 0 | 0 | 112.7 | K8 L9 Q10 D16 | K8-L12 HydrophobicContact CG-CD1 4.21Å; K8-L12 WeakPolarHBondContact O-CB 3.35Å; K8-L12 VanDerWaalsContact O-CG 3.27Å; K8-L12 WeakPolarHBondContact O-CG 3.4Å; K8-L12 PolarHBondContact O-N 2.78Å; L9-L12 PolarHBondContact O-N 3.33Å; Q10-L12 PolarHBondContact O-N 3.02Å; L12-D16 PolarHBondContact O-N 3.48Å |
| 13 | L | 79.9 | Confident | 82.3 | Confident | 14 Ų | 14 | 80.7 Ų | 80.7 | 7% | 0.073 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -72.7 | -38.6 | 178.6 | -67.1 | 170.7 | 0 | 0 | 0 | 112.5 | L9 Q10 K11 T21 L28 V83 | L9-L13 HydrophobicContact CD1-CD1 4.44Å; L9-L13 HydrophobicContact CG-CD1 4.07Å; L9-L13 VanDerWaalsContact O-CG 3.27Å; L9-L13 WeakPolarHBondContact O-CG 3.31Å; L9-L13 PolarHBondContact O-N 3.17Å; Q10-L13 PolarHBondContact O-N 2.96Å; K11-L13 VanDerWaalsContact C-N 3.26Å; K11-L13 PolarHBondContact O-N 3.46Å; L13-T21 HydrophobicContact CB-CG2 4.17Å; L13-T21 WeakPolarHBondContact O-CG2 3.26Å; L13-L28 HydrophobicContact CB-CD2 4.5Å; L13-L28 HydrophobicContact CD1-CD2 4.42Å; L13-V83 HydrophobicContact CD1-CB 4.11Å; L13-V83 HydrophobicContact CD1-CG1 3.26Å; L13-V83 HydrophobicContact CD1-CG2 3.64Å |
| 14 | M | 78.4 | Confident | 83.1 | Confident | 89 Ų | 89 | 78.5 Ų | 78.5 | 44% | 0.438 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -73.5 | -28.9 | 178.4 | -66.5 | 178.4 | 73.8 | 0 | 0 | 112.8 | Q10 K11 D16 L28 | Q10-M14 WeakPolarHBondContact O-CG 3.48Å; Q10-M14 PolarHBondContact O-N 3.01Å; K11-M14 PolarHBondContact O-N 3.37Å; M14-D16 VanDerWaalsContact C-N 3.31Å; M14-L28 HydrophobicContact CG-CD1 4.09Å; M14-L28 HydrophobicContact CG-CD2 4.3Å; M14-L28 HydrophobicContact SD-CD1 4.18Å |
| 15 | D | 81.2 | Confident | 83.8 | Confident | 111 Ų | 111 | 77.4 Ų | 77.4 | 59% | 0.594 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -81.6 | -10 | 177.9 | -69.8 | -20.8 | 0 | 0 | 0 | 112.6 | K11 K17 | K11-D15 WeakPolarHBondContact CE-OD2 3.22Å; K11-D15 WeakPolarHBondContact CG-OD2 3.5Å; K11-D15 WeakPolarHBondContact O-CB 3.16Å; K11-D15 VanDerWaalsContact O-CG 3.3Å; K11-D15 PolarHBondContact O-N 3.36Å; D15-K17 PolarHBondContact O-N 2.86Å |
| 16 | D | 84.2 | Confident | 84.3 | Confident | 54 Ų | 54 | 75.3 Ų | 75.3 | 29% | 0.289 | 37% | 0.37 | S | S | . | . | trans | -83.8 | 105.3 | -179.2 | -173.9 | -7.1 | 0 | 0 | 0 | 111.2 | L12 M14 E18 R19 | L12-D16 PolarHBondContact O-N 3.48Å; M14-D16 VanDerWaalsContact C-N 3.31Å; D16-E18 PolarHBondContact O-N 3.21Å; D16-E18 VanDerWaalsContact O-N 3.1Å; D16-E18 PolarHBondContact OD1-N 2.76Å; D16-E18 VanDerWaalsContact OD1-N 3.09Å; D16-R19 HydrophobicContact CB-CB 4.29Å; D16-R19 HydrophobicContact CB-CG 4.04Å; D16-R19 PolarHBondContact O-N 2.78Å; D16-R19 WeakPolarHBondContact OD2-CD 3.03Å; D16-R19 WeakPolarHBondContact OD2-CG 3.39Å; D16-R19 IonicContact OD2-CZ 3.46Å; D16-R19 IonicContact OD2-NE 2.78Å; D16-R19 PolarHBondContact OD2-NE 3.38Å | ||
| 17 | K | 81.2 | Confident | 85 | Confident | 203 Ų | 203 | 75.2 Ų | 75.2 | 88% | 0.883 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -14.8 | -178.2 | -65.5 | -173.6 | 178.2 | -177.3 | 0 | 114.6 | D15 R19 | D15-K17 PolarHBondContact O-N 2.86Å; K17-R19 VanDerWaalsContact C-N 3.34Å |
| 18 | E | 85.1 | Confident | 85.6 | Confident | 159 Ų | 159 | 68.2 Ų | 68.2 | 74% | 0.743 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | -14.8 | 175.5 | -62.2 | -168.3 | 166 | 0 | 0 | 112.2 | D16 T32 | D16-E18 PolarHBondContact O-N 3.21Å; D16-E18 VanDerWaalsContact O-N 3.1Å; D16-E18 PolarHBondContact OD1-N 2.76Å; D16-E18 VanDerWaalsContact OD1-N 3.09Å; E18-T32 WeakPolarHBondContact O-CG2 3.46Å |
| 19 | R | 89 | Confident | 86.2 | Confident | 89 Ų | 89 | 62.2 Ų | 62.2 | 34% | 0.336 | 32% | 0.317 | S | S | . | . | trans | -93.5 | 156.3 | 179.7 | -65.7 | -174.9 | -168 | -123.8 | 1.8 | 112.1 | D16 K17 T21 D30 T32 | D16-R19 HydrophobicContact CB-CB 4.29Å; D16-R19 HydrophobicContact CB-CG 4.04Å; D16-R19 PolarHBondContact O-N 2.78Å; D16-R19 WeakPolarHBondContact OD2-CD 3.03Å; D16-R19 WeakPolarHBondContact OD2-CG 3.39Å; D16-R19 IonicContact OD2-CZ 3.46Å; D16-R19 IonicContact OD2-NE 2.78Å; D16-R19 PolarHBondContact OD2-NE 3.38Å; K17-R19 VanDerWaalsContact C-N 3.34Å; R19-T21 HydrophobicContact CB-CG2 4.25Å; R19-D30 IonicContact CZ-OD2 3.97Å; R19-D30 IonicContact NH1-OD2 2.7Å; R19-D30 PolarHBondContact NH1-OD2 2.97Å; R19-T32 WeakPolarHBondContact CA-OG1 3.32Å; R19-T32 WeakPolarHBondContact CB-OG1 3.21Å | ||
| 20 | I | 91.4 | Very high | 86.8 | Confident | 3 Ų | 3 | 60.3 Ų | 60.3 | 2% | 0.015 | 31% | 0.307 | C | S | . | . | trans | -119.3 | 105.9 | 170.1 | -53.4 | 174 | 0 | 0 | 0 | 105.9 | V31 T32 A35 L45 R46 D49 | I20-V31 HydrophobicContact CB-CG2 4.09Å; I20-V31 HydrophobicContact CG2-CG2 3.67Å; I20-V31 VanDerWaalsContact O-CG2 3.31Å; I20-V31 WeakPolarHBondContact O-CG2 3.44Å; I20-V31 PolarHBondContact O-N 3.29Å; I20-T32 PolarHBondContact N-OG1 3.3Å; I20-T32 PolarHBondContact O-N 2.94Å; I20-A35 HydrophobicContact CD1-CB 3.69Å; I20-L45 HydrophobicContact CD1-CB 4.26Å; I20-L45 HydrophobicContact CG2-CB 4.21Å; I20-L45 WeakPolarHBondContact CG2-O 3.42Å; I20-R46 HydrophobicContact CD1-CB 4.4Å; I20-R46 HydrophobicContact CD1-CG 3.47Å; I20-R46 VanDerWaalsContact CD1-CG 3.47Å; I20-R46 HydrophobicContact CG1-CG 4.08Å; I20-D49 HydrophobicContact CG2-CB 4.24Å | ||
| 21 | T | 93.2 | Very high | 87.3 | Confident | 1 Ų | 1 | 58.1 Ų | 58.1 | 1% | 0.006 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 137.3 | -179.2 | 63.2 | 0 | 0 | 0 | 0 | 110.3 | L13 R19 Y29 D49 G50 | L13-T21 HydrophobicContact CB-CG2 4.17Å; L13-T21 WeakPolarHBondContact O-CG2 3.26Å; R19-T21 HydrophobicContact CB-CG2 4.25Å; T21-Y29 VanDerWaalsContact CA-O 3.3Å; T21-Y29 WeakPolarHBondContact CA-O 3.43Å; T21-D49 PolarHBondContact N-OD1 3.09Å; T21-D49 PolarHBondContact OG1-OD1 3.25Å; T21-G50 PolarHBondContact O-N 3.43Å |
| 22 | V | 93.4 | Very high | 87.7 | Confident | 4 Ų | 4 | 55 Ų | 55 | 2% | 0.024 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 153.3 | 178 | -60.2 | 0 | 0 | 0 | 0 | 109.8 | Y29 V31 V53 L78 | V22-Y29 PolarHBondContact N-O 3.08Å; V22-Y29 PolarHBondContact O-N 3.3Å; V22-V31 HydrophobicContact CG1-CG2 4.09Å; V22-V31 HydrophobicContact CG2-CG1 3.91Å; V22-V31 HydrophobicContact CG2-CG2 4.21Å; V22-V53 HydrophobicContact CB-CG1 3.7Å; V22-V53 HydrophobicContact CB-CG2 4.11Å; V22-V53 HydrophobicContact CG1-CG1 3.72Å; V22-V53 HydrophobicContact CG2-CG1 4.41Å; V22-V53 HydrophobicContact CG2-CG2 4.08Å; V22-L78 HydrophobicContact CG2-CD1 4.29Å |
| 23 | T | 92.4 | Very high | 87.9 | Confident | 36 Ų | 36 | 53.8 Ų | 53.8 | 22% | 0.221 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 139.7 | 171.7 | 61.6 | 0 | 0 | 0 | 0 | 110.6 | Q27 L28 M51 D52 V53 | T23-Q27 CarbonylContact C-O 3.54Å; T23-Q27 VanDerWaalsContact CA-O 3.22Å; T23-Q27 WeakPolarHBondContact CA-O 3.22Å; T23-L28 HydrophobicContact CG2-CD1 3.95Å; T23-M51 PolarHBondContact N-O 2.73Å; T23-M51 PolarHBondContact OG1-O 2.86Å; T23-D52 CarbonylContact O-C 3.56Å; T23-D52 WeakPolarHBondContact O-CA 3.49Å; T23-D52 WeakPolarHBondContact OG1-CA 3.31Å; T23-D52 WeakPolarHBondContact OG1-CB 3.48Å; T23-D52 PolarHBondContact OG1-N 3.01Å; T23-V53 WeakPolarHBondContact O-CG2 3.27Å; T23-V53 PolarHBondContact O-N 3.23Å |
| 24 | Y | 91.7 | Very high | 88.2 | Confident | 36 Ų | 36 | 54.3 Ų | 54.3 | 14% | 0.141 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 121.4 | 172.8 | 174.6 | -102.5 | 0 | 0 | 0 | 108.7 | G26 Q27 Y29 R54 L57 Y75 L78 | Y24-G26 PolarHBondContact O-N 2.95Å; Y24-Q27 PolarHBondContact N-O 3.46Å; Y24-Q27 PolarHBondContact O-N 3.47Å; Y24-Y29 HydrophobicContact CD1-CE2 4.47Å; Y24-R54 HydrophobicContact CD2-CB 4.12Å; Y24-R54 HydrophobicContact CE2-CB 4.27Å; Y24-R54 HydrophobicContact CE2-CG 4.19Å; Y24-L57 HydrophobicContact CD2-CD1 3.68Å; Y24-L57 HydrophobicContact CE2-CD1 3.92Å; Y24-L57 HydrophobicContact CG-CD1 4.33Å; Y24-Y75 HydrophobicContact CE1-CD1 4.43Å; Y24-Y75 HydrophobicContact CE2-CD1 4.37Å; Y24-Y75 HydrophobicContact CE2-CE1 4.02Å; Y24-Y75 AromaticContact CZ-CD1 3.87Å; Y24-Y75 AromaticContact CZ-CE1 3.85Å; Y24-Y75 WeakPolarHBondContact OH-CD1 3.34Å; Y24-Y75 WeakPolarHBondContact OH-CE1 3.33Å; Y24-L78 HydrophobicContact CD1-CD2 4.03Å; Y24-L78 HydrophobicContact CD2-CD2 4.49Å; Y24-L78 HydrophobicContact CG-CD2 3.89Å |
| 25 | C | 90.1 | Very high | 88.6 | Confident | 47 Ų | 47 | 50.3 Ų | 50.3 | 32% | 0.318 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.4 | 41.1 | -175.1 | -65.3 | 0 | 0 | 0 | 0 | 113.1 | Q27 | C25-Q27 VanDerWaalsContact C-N 3.27Å; C25-Q27 PolarHBondContact O-N 3.27Å |
| 26 | G | 85.5 | Confident | 88.4 | Confident | 65 Ų | 65 | 51.5 Ų | 51.5 | 67% | 0.67 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.4 | 1.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | Y24 | Y24-G26 PolarHBondContact O-N 2.95Š|
| 27 | Q | 88.7 | Confident | 88.2 | Confident | 50 Ų | 50 | 50.2 Ų | 50.2 | 23% | 0.234 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 143.5 | 173 | -62.4 | -175.7 | 23 | 0 | 0 | 110.5 | T23 Y24 C25 Y29 | T23-Q27 CarbonylContact C-O 3.54Å; T23-Q27 VanDerWaalsContact CA-O 3.22Å; T23-Q27 WeakPolarHBondContact CA-O 3.22Å; Y24-Q27 PolarHBondContact N-O 3.46Å; Y24-Q27 PolarHBondContact O-N 3.47Å; C25-Q27 VanDerWaalsContact C-N 3.27Å; C25-Q27 PolarHBondContact O-N 3.27Å; Q27-Y29 HydrophobicContact CB-CD2 4.49Å; Q27-Y29 HydrophobicContact CB-CE2 3.59Å; Q27-Y29 VanDerWaalsContact O-CD2 3.28Å; Q27-Y29 WeakPolarHBondContact O-CD2 3.27Å; Q27-Y29 VanDerWaalsContact O-CE2 3.28Å; Q27-Y29 WeakPolarHBondContact O-CE2 3.27Å; Q27-Y29 PolarHBondContact OE1-OH 3.13Å |
| 28 | L | 90.7 | Very high | 88.3 | Confident | 6 Ų | 6 | 41.3 Ų | 41.3 | 3% | 0.031 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 134.8 | 177 | -172.9 | 71.1 | 0 | 0 | 0 | 110.6 | Q10 L13 M14 T23 V83 | Q10-L28 HydrophobicContact CB-CD2 3.75Å; Q10-L28 HydrophobicContact CG-CB 4.41Å; Q10-L28 HydrophobicContact CG-CD2 3.67Å; L13-L28 HydrophobicContact CB-CD2 4.5Å; L13-L28 HydrophobicContact CD1-CD2 4.42Å; M14-L28 HydrophobicContact CG-CD1 4.09Å; M14-L28 HydrophobicContact CG-CD2 4.3Å; M14-L28 HydrophobicContact SD-CD1 4.18Å; T23-L28 HydrophobicContact CG2-CD1 3.95Å; L28-V83 HydrophobicContact CB-CG2 4.46Å; L28-V83 HydrophobicContact CD2-CB 4.44Å; L28-V83 HydrophobicContact CD2-CG2 4.08Å; L28-V83 HydrophobicContact CG-CG2 4.06Å; L28-V83 PolarHBondContact O-N 3.25Å |
| 29 | Y | 92.1 | Very high | 88 | Confident | 9 Ų | 9 | 35.7 Ų | 35.7 | 4% | 0.035 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 136.6 | 178.4 | -59.6 | -93.3 | 0 | 0 | 0 | 110.2 | T21 V22 Y24 Q27 L78 Y81 | T21-Y29 VanDerWaalsContact CA-O 3.3Å; T21-Y29 WeakPolarHBondContact CA-O 3.43Å; V22-Y29 PolarHBondContact N-O 3.08Å; V22-Y29 PolarHBondContact O-N 3.3Å; Y24-Y29 HydrophobicContact CD1-CE2 4.47Å; Q27-Y29 HydrophobicContact CB-CD2 4.49Å; Q27-Y29 HydrophobicContact CB-CE2 3.59Å; Q27-Y29 VanDerWaalsContact O-CD2 3.28Å; Q27-Y29 WeakPolarHBondContact O-CD2 3.27Å; Q27-Y29 VanDerWaalsContact O-CE2 3.28Å; Q27-Y29 WeakPolarHBondContact O-CE2 3.27Å; Q27-Y29 PolarHBondContact OE1-OH 3.13Å; Y29-L78 HydrophobicContact CD1-CD1 3.84Å; Y29-L78 HydrophobicContact CD1-CG 3.88Å; Y29-L78 WeakPolarHBondContact CD1-O 3.49Å; Y29-L78 HydrophobicContact CD2-CD1 4.28Å; Y29-L78 HydrophobicContact CD2-CG 4.46Å; Y29-L78 HydrophobicContact CE1-CD1 4.45Å; Y29-L78 HydrophobicContact CE1-CG 4Å; Y29-L78 VanDerWaalsContact CE1-O 3.3Å; Y29-L78 WeakPolarHBondContact CE1-O 3.26Å; Y29-L78 HydrophobicContact CG-CD1 3.73Å; Y29-L78 HydrophobicContact CG-CG 4.13Å; Y29-Y81 CarbonylContact C-O 3.6Å; Y29-Y81 VanDerWaalsContact CA-O 3.24Å; Y29-Y81 WeakPolarHBondContact CA-O 3.47Å |
| 30 | D | 91.2 | Very high | 87.4 | Confident | 25 Ų | 25 | 32.1 Ų | 32.1 | 13% | 0.134 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 95.8 | 172.5 | -176.7 | -9.3 | 0 | 0 | 0 | 108.6 | R19 T32 Y81 V83 | R19-D30 IonicContact CZ-OD2 3.97Å; R19-D30 IonicContact NH1-OD2 2.7Å; R19-D30 PolarHBondContact NH1-OD2 2.97Å; D30-T32 VanDerWaalsContact C-N 3.34Å; D30-T32 WeakPolarHBondContact OD1-CB 3.22Å; D30-T32 PolarHBondContact OD1-N 3.34Å; D30-T32 PolarHBondContact OD1-OG1 3.26Å; D30-Y81 PolarHBondContact N-O 3.15Å; D30-Y81 WeakPolarHBondContact O-CB 3.03Å; D30-Y81 WeakPolarHBondContact O-CD1 3.48Å; D30-V83 HydrophobicContact CB-CG2 3.97Å |
| 31 | V | 91.5 | Very high | 86.8 | Confident | 4 Ų | 4 | 32.3 Ų | 32.3 | 2% | 0.024 | 20% | 0.196 | C | C | . | . | trans | -94.3 | 7.4 | -176.4 | -62.7 | 0 | 0 | 0 | 0 | 112.5 | I20 V22 F34 A35 L45 L78 Y81 | I20-V31 HydrophobicContact CB-CG2 4.09Å; I20-V31 HydrophobicContact CG2-CG2 3.67Å; I20-V31 VanDerWaalsContact O-CG2 3.31Å; I20-V31 WeakPolarHBondContact O-CG2 3.44Å; I20-V31 PolarHBondContact O-N 3.29Å; V22-V31 HydrophobicContact CG1-CG2 4.09Å; V22-V31 HydrophobicContact CG2-CG1 3.91Å; V22-V31 HydrophobicContact CG2-CG2 4.21Å; V31-F34 HydrophobicContact CB-CB 4.49Å; V31-F34 WeakPolarHBondContact O-CA 3.37Å; V31-F34 WeakPolarHBondContact O-CB 3.39Å; V31-F34 PolarHBondContact O-N 3.28Å; V31-A35 PolarHBondContact O-N 3.06Å; V31-A35 VanDerWaalsContact O-N 3.12Å; V31-L45 HydrophobicContact CG2-CD2 4.34Å; V31-L78 HydrophobicContact CG1-CD1 3.93Å; V31-Y81 HydrophobicContact CG1-CG 4.49Å | ||
| 32 | T | 89.3 | Confident | 86.4 | Confident | 43 Ų | 43 | 32.6 Ų | 32.6 | 26% | 0.264 | 20% | 0.198 | S | C | . | . | G | 310 helix | trans | -46.7 | -51.8 | 173.3 | -43.9 | 0 | 0 | 0 | 0 | 113.3 | E18 R19 I20 D30 F34 A35 | E18-T32 WeakPolarHBondContact O-CG2 3.46Å; R19-T32 WeakPolarHBondContact CA-OG1 3.32Å; R19-T32 WeakPolarHBondContact CB-OG1 3.21Å; I20-T32 PolarHBondContact N-OG1 3.3Å; I20-T32 PolarHBondContact O-N 2.94Å; D30-T32 VanDerWaalsContact C-N 3.34Å; D30-T32 WeakPolarHBondContact OD1-CB 3.22Å; D30-T32 PolarHBondContact OD1-N 3.34Å; D30-T32 PolarHBondContact OD1-OG1 3.26Å; T32-F34 PolarHBondContact O-N 3.05Å; T32-A35 VanDerWaalsContact O-CB 3.22Å; T32-A35 WeakPolarHBondContact O-CB 3.44Å; T32-A35 PolarHBondContact O-N 3.5Å; T32-A35 VanDerWaalsContact O-N 3.15Å |
| 33 | P | 85.6 | Confident | 86 | Confident | 81 Ų | 81 | 34.8 Ų | 34.8 | 53% | 0.526 | 21% | 0.214 | S | C | . | . | G | 310 helix | trans | -65.9 | -21.1 | 178.6 | 26.3 | -37 | 0 | 0 | 0 | 113.8 | Y81 | P33-Y81 HydrophobicContact CB-CE1 4.28Å; P33-Y81 HydrophobicContact CG-CD1 3.76Å; P33-Y81 HydrophobicContact CG-CE1 3.53Å |
| 34 | F | 87 | Confident | 85.7 | Confident | 26 Ų | 26 | 34.1 Ų | 34.1 | 11% | 0.114 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -86 | -14.2 | 177.7 | -167.7 | -122.2 | 0 | 0 | 0 | 113 | V31 T32 Q36 L37 H38 L45 I77 Y81 | V31-F34 HydrophobicContact CB-CB 4.49Å; V31-F34 WeakPolarHBondContact O-CA 3.37Å; V31-F34 WeakPolarHBondContact O-CB 3.39Å; V31-F34 PolarHBondContact O-N 3.28Å; T32-F34 PolarHBondContact O-N 3.05Å; F34-Q36 VanDerWaalsContact C-N 3.33Å; F34-Q36 PolarHBondContact O-N 3.26Å; F34-L37 HydrophobicContact CD2-CB 3.81Å; F34-L37 HydrophobicContact CD2-CD1 4.36Å; F34-L37 HydrophobicContact CE2-CB 3.92Å; F34-L37 CarbonylContact O-C 3.41Å; F34-L37 WeakPolarHBondContact O-CA 3.38Å; F34-L37 PolarHBondContact O-N 3.01Å; F34-H38 HydrophobicContact CD1-CB 4.35Å; F34-H38 HydrophobicContact CE1-CB 4.18Å; F34-H38 AromaticContact CE1-CD2 3.85Å; F34-H38 PolarHBondContact O-N 3.39Å; F34-L45 HydrophobicContact CD1-CD1 4.04Å; F34-I77 HydrophobicContact CD2-CG2 4.19Å; F34-I77 HydrophobicContact CE1-CG2 4.36Å; F34-I77 HydrophobicContact CE2-CG2 3.81Å; F34-I77 HydrophobicContact CZ-CG2 3.91Å; F34-Y81 HydrophobicContact CB-CD2 4.38Å; F34-Y81 HydrophobicContact CB-CE1 4.18Å; F34-Y81 HydrophobicContact CB-CE2 3.69Å; F34-Y81 AromaticContact CD2-CE2 3.92Å; F34-Y81 HydrophobicContact CD2-CE2 3.92Å; F34-Y81 AromaticContact CD2-CZ 3.99Å; F34-Y81 WeakPolarHBondContact CD2-OH 3.41Å; F34-Y81 AromaticContact CG-CE2 3.81Å; F34-Y81 HydrophobicContact CG-CE2 3.81Å |
| 35 | A | 86.1 | Confident | 85.6 | Confident | 5 Ų | 5 | 33.4 Ų | 33.4 | 4% | 0.041 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -49.5 | -49.4 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | I20 V31 T32 L37 H38 A42 | I20-A35 HydrophobicContact CD1-CB 3.69Å; V31-A35 PolarHBondContact O-N 3.06Å; V31-A35 VanDerWaalsContact O-N 3.12Å; T32-A35 VanDerWaalsContact O-CB 3.22Å; T32-A35 WeakPolarHBondContact O-CB 3.44Å; T32-A35 PolarHBondContact O-N 3.5Å; T32-A35 VanDerWaalsContact O-N 3.15Å; A35-L37 VanDerWaalsContact C-N 3.32Å; A35-L37 PolarHBondContact O-N 3.4Å; A35-H38 PolarHBondContact O-N 3.47Å; A35-A42 HydrophobicContact CB-CB 4.1Å; A35-A42 VanDerWaalsContact O-CA 3.24Å; A35-A42 WeakPolarHBondContact O-CA 3.48Å; A35-A42 WeakPolarHBondContact O-CB 3.27Å; A35-A42 PolarHBondContact O-N 3.44Å |
| 36 | Q | 77.7 | Confident | 85.6 | Confident | 135 Ų | 135 | 38.1 Ų | 38.1 | 63% | 0.631 | 22% | 0.218 | S | C | * | . | G | 310 helix | trans | -75.5 | -20.9 | -179 | -65.3 | -177 | -6.1 | 0 | 0 | 113.5 | F34 | F34-Q36 VanDerWaalsContact C-N 3.33Å; F34-Q36 PolarHBondContact O-N 3.26Å |
| 37 | L | 78.8 | Confident | 85.8 | Confident | 27 Ų | 27 | 39.5 Ų | 39.5 | 14% | 0.141 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -90.6 | -8.6 | -179.3 | -55.3 | 176.3 | 0 | 0 | 0 | 111.9 | F34 A35 M234 Y306 | F34-L37 HydrophobicContact CD2-CB 3.81Å; F34-L37 HydrophobicContact CD2-CD1 4.36Å; F34-L37 HydrophobicContact CE2-CB 3.92Å; F34-L37 CarbonylContact O-C 3.41Å; F34-L37 WeakPolarHBondContact O-CA 3.38Å; F34-L37 PolarHBondContact O-N 3.01Å; A35-L37 VanDerWaalsContact C-N 3.32Å; A35-L37 PolarHBondContact O-N 3.4Å; L37-M234 HydrophobicContact CB-CE 4.19Å; L37-M234 HydrophobicContact CB-CG 4.35Å; L37-M234 HydrophobicContact CB-SD 3.91Å; L37-M234 HydrophobicContact CD1-CB 4Å; L37-M234 HydrophobicContact CD1-CG 3.99Å; L37-M234 HydrophobicContact CD1-SD 4.46Å; L37-M234 HydrophobicContact CD2-CB 4.24Å; L37-M234 HydrophobicContact CD2-CG 4.27Å; L37-M234 HydrophobicContact CD2-SD 3.8Å; L37-M234 HydrophobicContact CG-CG 4.42Å; L37-M234 HydrophobicContact CG-SD 4.25Å; L37-M234 WeakPolarHBondContact O-CE 3.36Å; L37-Y306 PolarHBondContact O-OH 2.95Å |
| 38 | H | 84.8 | Confident | 86 | Confident | 17 Ų | 17 | 37.4 Ų | 37.4 | 8% | 0.079 | 20% | 0.198 | C | C | . | . | trans | -69.4 | 128.2 | -177.7 | -178 | -108.8 | 0 | 0 | 0 | 111.4 | F34 A35 G40 G41 L45 | F34-H38 HydrophobicContact CD1-CB 4.35Å; F34-H38 HydrophobicContact CE1-CB 4.18Å; F34-H38 AromaticContact CE1-CD2 3.85Å; F34-H38 PolarHBondContact O-N 3.39Å; A35-H38 PolarHBondContact O-N 3.47Å; H38-G40 PolarHBondContact ND1-N 2.93Å; H38-G40 PolarHBondContact O-N 3.44Å; H38-G40 VanDerWaalsContact O-N 3.15Å; H38-G41 PolarHBondContact ND1-O 3.31Å; H38-G41 VanDerWaalsContact ND1-O 3.08Å; H38-G41 PolarHBondContact O-N 2.95Å; H38-L45 HydrophobicContact CB-CD1 3.47Å; H38-L45 VanDerWaalsContact CB-CD1 3.47Å; H38-L45 HydrophobicContact CB-CG 4.16Å | ||
| 39 | P | 77 | Confident | 86.1 | Confident | 41 Ų | 41 | 40.1 Ų | 40.1 | 27% | 0.266 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -36.2 | -178.5 | -1.3 | -7.7 | 0 | 0 | 0 | 113.7 | G41 Y306 | P39-G41 VanDerWaalsContact C-N 3.29Å; P39-G41 PolarHBondContact O-N 2.88Å; P39-Y306 HydrophobicContact CB-CD1 3.28Å; P39-Y306 HydrophobicContact CB-CE1 3.73Å; P39-Y306 HydrophobicContact CB-CG 3.86Å; P39-Y306 HydrophobicContact CG-CD1 3.45Å; P39-Y306 VanDerWaalsContact CG-CD1 3.45Å; P39-Y306 HydrophobicContact CG-CE1 3.82Å; P39-Y306 HydrophobicContact CG-CG 4.43Å |
| 40 | G | 77.7 | Confident | 86 | Confident | 14 Ų | 14 | 41.8 Ų | 41.8 | 14% | 0.144 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115 | H38 L44 | H38-G40 PolarHBondContact ND1-N 2.93Å; H38-G40 PolarHBondContact O-N 3.44Å; H38-G40 VanDerWaalsContact O-N 3.15Å; G40-L44 WeakPolarHBondContact O-CD1 3.25Å |
| 41 | G | 79.3 | Confident | 86.1 | Confident | 7 Ų | 7 | 44.5 Ų | 44.5 | 7% | 0.072 | 25% | 0.245 | C | C | . | . | trans | 94.8 | 162.1 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | H38 P39 S43 | H38-G41 PolarHBondContact ND1-O 3.31Å; H38-G41 VanDerWaalsContact ND1-O 3.08Å; H38-G41 PolarHBondContact O-N 2.95Å; P39-G41 VanDerWaalsContact C-N 3.29Å; P39-G41 PolarHBondContact O-N 2.88Å; G41-S43 VanDerWaalsContact C-N 3.3Å; G41-S43 PolarHBondContact O-N 3.42Å | ||
| 42 | A | 84.7 | Confident | 86.1 | Confident | 6 Ų | 6 | 47 Ų | 47 | 5% | 0.05 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -71.5 | -27.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | A35 L44 L45 R46 E291 | A35-A42 HydrophobicContact CB-CB 4.1Å; A35-A42 VanDerWaalsContact O-CA 3.24Å; A35-A42 WeakPolarHBondContact O-CA 3.48Å; A35-A42 WeakPolarHBondContact O-CB 3.27Å; A35-A42 PolarHBondContact O-N 3.44Å; A42-L44 PolarHBondContact O-N 3.03Å; A42-L45 PolarHBondContact O-N 3.47Å; A42-R46 WeakPolarHBondContact O-CG 3.46Å; A42-R46 PolarHBondContact O-N 3.28Å; A42-E291 PolarHBondContact N-OE1 2.73Å |
| 43 | S | 84.8 | Confident | 86.3 | Confident | 51 Ų | 51 | 45.5 Ų | 45.5 | 36% | 0.357 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -60.2 | -42.3 | 179.4 | 55 | 0 | 0 | 0 | 0 | 113.1 | G41 L45 R46 H47 | G41-S43 VanDerWaalsContact C-N 3.3Å; G41-S43 PolarHBondContact O-N 3.42Å; S43-L45 VanDerWaalsContact C-N 3.32Å; S43-L45 PolarHBondContact O-N 3.28Å; S43-R46 PolarHBondContact O-N 2.88Å; S43-H47 PolarHBondContact O-N 2.81Å |
| 44 | L | 85.6 | Confident | 86.7 | Confident | 22 Ų | 22 | 46 Ų | 46 | 12% | 0.115 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.3 | -40.9 | 177.2 | -70.9 | 176.9 | 0 | 0 | 0 | 111.6 | G40 A42 H47 S48 L63 D64 | G40-L44 WeakPolarHBondContact O-CD1 3.25Å; A42-L44 PolarHBondContact O-N 3.03Å; L44-H47 PolarHBondContact O-N 3.48Å; L44-S48 PolarHBondContact O-N 3Å; L44-S48 VanDerWaalsContact O-N 3.11Å; L44-S48 PolarHBondContact O-OG 3.48Å; L44-L63 HydrophobicContact CD2-CD2 4.43Å; L44-L63 VanDerWaalsContact O-CD2 3.25Å; L44-L63 WeakPolarHBondContact O-CD2 3.36Å; L44-D64 HydrophobicContact CD2-CB 4.27Å; L44-D64 WeakPolarHBondContact CD2-OD2 3.24Å |
| 45 | L | 89.6 | Confident | 86.9 | Confident | 21 Ų | 21 | 48.9 Ų | 48.9 | 11% | 0.11 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -67.2 | -40.9 | 176.5 | -74.1 | 178.6 | 0 | 0 | 0 | 111.5 | I20 V31 F34 H38 A42 S43 H47 S48 D49 | I20-L45 HydrophobicContact CD1-CB 4.26Å; I20-L45 HydrophobicContact CG2-CB 4.21Å; I20-L45 WeakPolarHBondContact CG2-O 3.42Å; V31-L45 HydrophobicContact CG2-CD2 4.34Å; F34-L45 HydrophobicContact CD1-CD1 4.04Å; H38-L45 HydrophobicContact CB-CD1 3.47Å; H38-L45 VanDerWaalsContact CB-CD1 3.47Å; H38-L45 HydrophobicContact CB-CG 4.16Å; A42-L45 PolarHBondContact O-N 3.47Å; S43-L45 VanDerWaalsContact C-N 3.32Å; S43-L45 PolarHBondContact O-N 3.28Å; L45-H47 VanDerWaalsContact C-N 3.31Å; L45-H47 PolarHBondContact O-N 3.18Å; L45-S48 WeakPolarHBondContact CA-OG 3.28Å; L45-S48 PolarHBondContact O-N 3.15Å; L45-S48 VanDerWaalsContact O-N 3.09Å; L45-S48 PolarHBondContact O-OG 2.72Å; L45-D49 PolarHBondContact O-N 3.11Å |
| 46 | R | 90.5 | Very high | 87.2 | Confident | 145 Ų | 145 | 49.8 Ų | 49.8 | 55% | 0.547 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -60.7 | -38.3 | 174.2 | -70.4 | -179 | -171.3 | -76.4 | 0.3 | 112.6 | I20 A42 S43 S48 D49 | I20-R46 HydrophobicContact CD1-CB 4.4Å; I20-R46 HydrophobicContact CD1-CG 3.47Å; I20-R46 VanDerWaalsContact CD1-CG 3.47Å; I20-R46 HydrophobicContact CG1-CG 4.08Å; A42-R46 WeakPolarHBondContact O-CG 3.46Å; A42-R46 PolarHBondContact O-N 3.28Å; S43-R46 PolarHBondContact O-N 2.88Å; R46-S48 VanDerWaalsContact C-N 3.27Å; R46-S48 PolarHBondContact O-N 2.7Å; R46-D49 VanDerWaalsContact O-CB 3.27Å; R46-D49 WeakPolarHBondContact O-CB 3.28Å; R46-D49 PolarHBondContact O-N 3.48Å |
| 47 | H | 90.2 | Very high | 87.8 | Confident | 95 Ų | 95 | 44.3 Ų | 44.3 | 44% | 0.44 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -70.7 | -24.6 | 176.2 | -67 | 173.8 | 0 | 0 | 0 | 112.8 | S43 L44 L45 D49 M51 L63 D64 | S43-H47 PolarHBondContact O-N 2.81Å; L44-H47 PolarHBondContact O-N 3.48Å; L45-H47 VanDerWaalsContact C-N 3.31Å; L45-H47 PolarHBondContact O-N 3.18Å; H47-D49 VanDerWaalsContact C-N 3.31Å; H47-M51 WeakPolarHBondContact O-CE 3.3Å; H47-L63 HydrophobicContact CB-CD1 4.29Å; H47-L63 HydrophobicContact CB-CD2 4.15Å; H47-L63 HydrophobicContact CB-CG 4.42Å; H47-D64 IonicContact CE1-OD2 3.95Å; H47-D64 PolarHBondContact CE1-OD2 3.24Å; H47-D64 IonicContact CG-OD2 3.51Å; H47-D64 IonicContact ND1-OD1 2.97Å; H47-D64 PolarHBondContact ND1-OD1 3.35Å; H47-D64 IonicContact ND1-OD2 3.79Å; H47-D64 PolarHBondContact ND1-OD2 3.34Å |
| 48 | S | 91.5 | Very high | 88.4 | Confident | 5 Ų | 5 | 46 Ų | 46 | 4% | 0.035 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | 1 | 173.7 | 67.7 | 0 | 0 | 0 | 0 | 114.5 | L44 L45 R46 G50 M51 | L44-S48 PolarHBondContact O-N 3Å; L44-S48 VanDerWaalsContact O-N 3.11Å; L44-S48 PolarHBondContact O-OG 3.48Å; L45-S48 WeakPolarHBondContact CA-OG 3.28Å; L45-S48 PolarHBondContact O-N 3.15Å; L45-S48 VanDerWaalsContact O-N 3.09Å; L45-S48 PolarHBondContact O-OG 2.72Å; R46-S48 VanDerWaalsContact C-N 3.27Å; R46-S48 PolarHBondContact O-N 2.7Å; S48-G50 PolarHBondContact O-N 3.46Å; S48-M51 VanDerWaalsContact O-CB 3.26Å; S48-M51 WeakPolarHBondContact O-CB 3.24Å; S48-M51 WeakPolarHBondContact O-CG 3.08Å; S48-M51 PolarHBondContact O-N 3.36Å |
| 49 | D | 92.3 | Very high | 88.6 | Confident | 63 Ų | 63 | 46.3 Ų | 46.3 | 34% | 0.337 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | 130.2 | -178.5 | -174.8 | 37.1 | 0 | 0 | 0 | 111.6 | I20 T21 L45 R46 H47 M51 | I20-D49 HydrophobicContact CG2-CB 4.24Å; T21-D49 PolarHBondContact N-OD1 3.09Å; T21-D49 PolarHBondContact OG1-OD1 3.25Å; L45-D49 PolarHBondContact O-N 3.11Å; R46-D49 VanDerWaalsContact O-CB 3.27Å; R46-D49 WeakPolarHBondContact O-CB 3.28Å; R46-D49 PolarHBondContact O-N 3.48Å; H47-D49 VanDerWaalsContact C-N 3.31Å; D49-M51 VanDerWaalsContact C-N 3.27Å; D49-M51 PolarHBondContact O-N 3.48Å |
| 50 | G | 90.8 | Very high | 89.3 | Confident | 44 Ų | 44 | 48 Ų | 48 | 45% | 0.454 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.1 | -1.3 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | T21 S48 | T21-G50 PolarHBondContact O-N 3.43Å; S48-G50 PolarHBondContact O-N 3.46Å |
| 51 | M | 92.7 | Very high | 89.9 | Confident | 82 Ų | 82 | 52 Ų | 52 | 40% | 0.404 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -87.3 | 157.1 | -175.5 | -58.3 | -172.7 | 179 | 0 | 0 | 113.7 | T23 H47 S48 D49 L63 | T23-M51 PolarHBondContact N-O 2.73Å; T23-M51 PolarHBondContact OG1-O 2.86Å; H47-M51 WeakPolarHBondContact O-CE 3.3Å; S48-M51 VanDerWaalsContact O-CB 3.26Å; S48-M51 WeakPolarHBondContact O-CB 3.24Å; S48-M51 WeakPolarHBondContact O-CG 3.08Å; S48-M51 PolarHBondContact O-N 3.36Å; D49-M51 VanDerWaalsContact C-N 3.27Å; D49-M51 PolarHBondContact O-N 3.48Å; M51-L63 HydrophobicContact SD-CD1 4.45Å |
| 52 | D | 92.8 | Very high | 90.2 | Very high | 57 Ų | 57 | 55.1 Ų | 55.1 | 31% | 0.305 | 30% | 0.298 | S | S | . | . | B | Isolated β-bridge | trans | -81.2 | 109.6 | 159.3 | -172.5 | -23.2 | 0 | 0 | 0 | 108.4 | T23 R54 | T23-D52 CarbonylContact O-C 3.56Å; T23-D52 WeakPolarHBondContact O-CA 3.49Å; T23-D52 WeakPolarHBondContact OG1-CA 3.31Å; T23-D52 WeakPolarHBondContact OG1-CB 3.48Å; T23-D52 PolarHBondContact OG1-N 3.01Å; D52-R54 VanDerWaalsContact C-N 3.28Å; D52-R54 PolarHBondContact O-N 2.91Å; D52-R54 WeakPolarHBondContact OD1-CB 3.47Å; D52-R54 PolarHBondContact OD1-N 2.98Å; D52-R54 IonicContact OD1-NE 3.81Å; D52-R54 IonicContact OD2-CZ 3.63Å; D52-R54 IonicContact OD2-NE 3.73Å; D52-R54 IonicContact OD2-NH2 3.76Å; D52-R54 PolarHBondContact OD2-NH2 3.4Å |
| 53 | V | 93.5 | Very high | 90.3 | Very high | 11 Ų | 11 | 56.3 Ų | 56.3 | 7% | 0.067 | 30% | 0.304 | C | S | . | . | trans | -86.9 | 7.2 | -172.9 | -63 | 0 | 0 | 0 | 0 | 113.1 | V22 T23 F55 L56 L57 | V22-V53 HydrophobicContact CB-CG1 3.7Å; V22-V53 HydrophobicContact CB-CG2 4.11Å; V22-V53 HydrophobicContact CG1-CG1 3.72Å; V22-V53 HydrophobicContact CG2-CG1 4.41Å; V22-V53 HydrophobicContact CG2-CG2 4.08Å; T23-V53 WeakPolarHBondContact O-CG2 3.27Å; T23-V53 PolarHBondContact O-N 3.23Å; V53-F55 PolarHBondContact O-N 3.4Å; V53-L56 HydrophobicContact CB-CB 4.44Å; V53-L56 HydrophobicContact CG1-CD1 4.25Å; V53-L56 PolarHBondContact O-N 3.4Å; V53-L57 HydrophobicContact CB-CD1 4.44Å; V53-L57 HydrophobicContact CB-CG 4.35Å; V53-L57 HydrophobicContact CG2-CD1 3.75Å; V53-L57 HydrophobicContact CG2-CG 4.17Å; V53-L57 WeakPolarHBondContact O-CB 3.48Å; V53-L57 VanDerWaalsContact O-CG 3.27Å; V53-L57 WeakPolarHBondContact O-CG 3.19Å; V53-L57 PolarHBondContact O-N 2.83Å | ||
| 54 | R | 92.7 | Very high | 90.2 | Very high | 91 Ų | 91 | 58.2 Ų | 58.2 | 34% | 0.343 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -54.9 | -50.2 | -177.4 | -175.4 | -171.7 | -35.4 | -177.5 | 9 | 113.2 | Y24 D52 L56 L57 D58 | Y24-R54 HydrophobicContact CD2-CB 4.12Å; Y24-R54 HydrophobicContact CE2-CB 4.27Å; Y24-R54 HydrophobicContact CE2-CG 4.19Å; D52-R54 VanDerWaalsContact C-N 3.28Å; D52-R54 PolarHBondContact O-N 2.91Å; D52-R54 WeakPolarHBondContact OD1-CB 3.47Å; D52-R54 PolarHBondContact OD1-N 2.98Å; D52-R54 IonicContact OD1-NE 3.81Å; D52-R54 IonicContact OD2-CZ 3.63Å; D52-R54 IonicContact OD2-NE 3.73Å; D52-R54 IonicContact OD2-NH2 3.76Å; D52-R54 PolarHBondContact OD2-NH2 3.4Å; R54-L56 VanDerWaalsContact C-N 3.34Å; R54-L57 PolarHBondContact O-N 3.46Å; R54-D58 PolarHBondContact O-N 2.97Å |
| 55 | F | 91.9 | Very high | 90 | Very high | 88 Ų | 88 | 60.6 Ų | 60.6 | 39% | 0.386 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -76.5 | -24 | -178.7 | -58.4 | -57.8 | 0 | 0 | 0 | 112.6 | V53 D58 G59 S60 E61 | V53-F55 PolarHBondContact O-N 3.4Å; F55-D58 VanDerWaalsContact CA-OD1 3.31Å; F55-D58 WeakPolarHBondContact CA-OD1 3.49Å; F55-G59 PolarHBondContact O-N 2.94Å; F55-S60 WeakPolarHBondContact CA-OG 3.43Å; F55-S60 VanDerWaalsContact CB-OG 3.31Å; F55-S60 WeakPolarHBondContact CB-OG 3.37Å; F55-S60 WeakPolarHBondContact CD1-OG 3.43Å; F55-S60 PolarHBondContact O-N 3.38Å; F55-S60 PolarHBondContact O-OG 3.03Å; F55-E61 HydrophobicContact CB-CB 3.89Å; F55-E61 VanDerWaalsContact CB-CD 3.47Å; F55-E61 HydrophobicContact CB-CG 3.63Å; F55-E61 PolarHBondContact O-N 3.47Å |
| 56 | L | 92.3 | Very high | 89.5 | Confident | 23 Ų | 23 | 64 Ų | 64 | 12% | 0.12 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -71.8 | -38.6 | 169.9 | -62.8 | -179.3 | 0 | 0 | 0 | 111.7 | V53 R54 E61 L63 | V53-L56 HydrophobicContact CB-CB 4.44Å; V53-L56 HydrophobicContact CG1-CD1 4.25Å; V53-L56 PolarHBondContact O-N 3.4Å; R54-L56 VanDerWaalsContact C-N 3.34Å; L56-E61 HydrophobicContact CD2-CB 3.8Å; L56-L63 HydrophobicContact CD1-CB 4.39Å; L56-L63 HydrophobicContact CD1-CD2 4.3Å; L56-L63 HydrophobicContact CD2-CB 3.92Å |
| 57 | L | 91.2 | Very high | 89.1 | Confident | 21 Ų | 21 | 60 Ų | 60 | 11% | 0.11 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -74 | -40.5 | -179.6 | -72.8 | 173.9 | 0 | 0 | 0 | 112.4 | Y24 V53 R54 G59 H70 Y75 L78 | Y24-L57 HydrophobicContact CD2-CD1 3.68Å; Y24-L57 HydrophobicContact CE2-CD1 3.92Å; Y24-L57 HydrophobicContact CG-CD1 4.33Å; V53-L57 HydrophobicContact CB-CD1 4.44Å; V53-L57 HydrophobicContact CB-CG 4.35Å; V53-L57 HydrophobicContact CG2-CD1 3.75Å; V53-L57 HydrophobicContact CG2-CG 4.17Å; V53-L57 WeakPolarHBondContact O-CB 3.48Å; V53-L57 VanDerWaalsContact O-CG 3.27Å; V53-L57 WeakPolarHBondContact O-CG 3.19Å; V53-L57 PolarHBondContact O-N 2.83Å; R54-L57 PolarHBondContact O-N 3.46Å; L57-G59 VanDerWaalsContact C-N 3.26Å; L57-G59 PolarHBondContact O-N 2.92Å; L57-H70 HydrophobicContact CD2-CB 4.13Å; L57-H70 WeakPolarHBondContact O-CB 3.21Å; L57-H70 PolarHBondContact O-N 2.96Å; L57-H70 PolarHBondContact O-ND1 3.1Å; L57-Y75 HydrophobicContact CB-CE1 3.96Å; L57-Y75 HydrophobicContact CD1-CD1 4.5Å; L57-Y75 HydrophobicContact CD1-CE1 4.23Å; L57-Y75 PolarHBondContact O-OH 2.92Å; L57-L78 HydrophobicContact CD1-CD2 3.68Å |
| 58 | D | 91.3 | Very high | 88.8 | Confident | 61 Ų | 61 | 58.9 Ų | 58.9 | 33% | 0.326 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -76 | -14.2 | 178.1 | 70.8 | 18.6 | 0 | 0 | 0 | 113.7 | R54 F55 S60 | R54-D58 PolarHBondContact O-N 2.97Å; F55-D58 VanDerWaalsContact CA-OD1 3.31Å; F55-D58 WeakPolarHBondContact CA-OD1 3.49Å; D58-S60 WeakPolarHBondContact OD1-CB 3.48Å; D58-S60 PolarHBondContact OD1-N 2.79Å; D58-S60 PolarHBondContact OD1-OG 3.44Å |
| 59 | G | 89.1 | Confident | 88.7 | Confident | 24 Ų | 24 | 68.3 Ų | 68.3 | 25% | 0.247 | 38% | 0.377 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83.6 | 17.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | F55 L57 S67 | F55-G59 PolarHBondContact O-N 2.94Å; L57-G59 VanDerWaalsContact C-N 3.26Å; L57-G59 PolarHBondContact O-N 2.92Å; G59-S67 VanDerWaalsContact C-OG 3.25Å; G59-S67 WeakPolarHBondContact CA-OG 3.22Å; G59-S67 PolarHBondContact O-OG 3.09Å |
| 60 | S | 90.3 | Very high | 88.6 | Confident | 78 Ų | 78 | 67 Ų | 67 | 55% | 0.545 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -83 | -25 | 173.6 | 58.2 | 0 | 0 | 0 | 0 | 113 | F55 D58 | F55-S60 WeakPolarHBondContact CA-OG 3.43Å; F55-S60 VanDerWaalsContact CB-OG 3.31Å; F55-S60 WeakPolarHBondContact CB-OG 3.37Å; F55-S60 WeakPolarHBondContact CD1-OG 3.43Å; F55-S60 PolarHBondContact O-N 3.38Å; F55-S60 PolarHBondContact O-OG 3.03Å; D58-S60 WeakPolarHBondContact OD1-CB 3.48Å; D58-S60 PolarHBondContact OD1-N 2.79Å; D58-S60 PolarHBondContact OD1-OG 3.44Å |
| 61 | E | 90 | Very high | 88.4 | Confident | 97 Ų | 97 | 66.3 Ų | 66.3 | 45% | 0.453 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -112.3 | 155.5 | 172.6 | -77.3 | 179.4 | -179.5 | 0 | 0 | 111.5 | F55 L56 S67 | F55-E61 HydrophobicContact CB-CB 3.89Å; F55-E61 VanDerWaalsContact CB-CD 3.47Å; F55-E61 HydrophobicContact CB-CG 3.63Å; F55-E61 PolarHBondContact O-N 3.47Å; L56-E61 HydrophobicContact CD2-CB 3.8Å; E61-S67 WeakPolarHBondContact O-CB 3.3Å; E61-S67 PolarHBondContact O-OG 3.47Å |
| 62 | S | 87.2 | Confident | 88.1 | Confident | 73 Ų | 73 | 64.9 Ų | 64.9 | 51% | 0.51 | 36% | 0.363 | S | S | . | . | trans | -109 | 137.5 | 174.8 | 68.9 | 0 | 0 | 0 | 0 | 110.8 | K66 | S62-K66 CarbonylContact C-O 3.58Å; S62-K66 VanDerWaalsContact CA-O 3.22Å; S62-K66 WeakPolarHBondContact CA-O 3.05Å; S62-K66 WeakPolarHBondContact CB-O 3.41Å | ||
| 63 | L | 85.2 | Confident | 87.8 | Confident | 31 Ų | 31 | 62.6 Ų | 62.6 | 16% | 0.162 | 35% | 0.352 | C | S | . | . | B | Isolated β-bridge | trans | -109.3 | 126.9 | 165.7 | -170.6 | 66.8 | 0 | 0 | 0 | 108.2 | L44 H47 M51 L56 G65 K66 | L44-L63 HydrophobicContact CD2-CD2 4.43Å; L44-L63 VanDerWaalsContact O-CD2 3.25Å; L44-L63 WeakPolarHBondContact O-CD2 3.36Å; H47-L63 HydrophobicContact CB-CD1 4.29Å; H47-L63 HydrophobicContact CB-CD2 4.15Å; H47-L63 HydrophobicContact CB-CG 4.42Å; M51-L63 HydrophobicContact SD-CD1 4.45Å; L56-L63 HydrophobicContact CD1-CB 4.39Å; L56-L63 HydrophobicContact CD1-CD2 4.3Å; L56-L63 HydrophobicContact CD2-CB 3.92Å; L63-G65 VanDerWaalsContact C-N 3.26Å; L63-G65 PolarHBondContact O-N 3.24Å; L63-K66 PolarHBondContact N-O 3.47Å; L63-K66 PolarHBondContact O-N 3.46Å |
| 64 | D | 83.2 | Confident | 87.5 | Confident | 90 Ų | 90 | 63.3 Ų | 63.3 | 48% | 0.481 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.4 | 40.8 | -175.7 | -56.8 | -27.9 | 0 | 0 | 0 | 113.9 | L44 H47 K66 | L44-D64 HydrophobicContact CD2-CB 4.27Å; L44-D64 WeakPolarHBondContact CD2-OD2 3.24Å; H47-D64 IonicContact CE1-OD2 3.95Å; H47-D64 PolarHBondContact CE1-OD2 3.24Å; H47-D64 IonicContact CG-OD2 3.51Å; H47-D64 IonicContact ND1-OD1 2.97Å; H47-D64 PolarHBondContact ND1-OD1 3.35Å; H47-D64 IonicContact ND1-OD2 3.79Å; H47-D64 PolarHBondContact ND1-OD2 3.34Å; D64-K66 PolarHBondContact O-N 2.92Å |
| 65 | G | 81.5 | Confident | 87.4 | Confident | 72 Ų | 72 | 60.6 Ų | 60.6 | 74% | 0.742 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.6 | 7.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | L63 | L63-G65 VanDerWaalsContact C-N 3.26Å; L63-G65 PolarHBondContact O-N 3.24Å |
| 66 | K | 78.6 | Confident | 87.1 | Confident | 93 Ų | 93 | 59.4 Ų | 59.4 | 40% | 0.404 | 34% | 0.342 | S | S | . | . | B | Isolated β-bridge | trans | -108.5 | 129.5 | 176.6 | -63.2 | 169.3 | -173.2 | 159.8 | 0 | 109.4 | S62 L63 D64 | S62-K66 CarbonylContact C-O 3.58Å; S62-K66 VanDerWaalsContact CA-O 3.22Å; S62-K66 WeakPolarHBondContact CA-O 3.05Å; S62-K66 WeakPolarHBondContact CB-O 3.41Å; L63-K66 PolarHBondContact N-O 3.47Å; L63-K66 PolarHBondContact O-N 3.46Å; D64-K66 PolarHBondContact O-N 2.92Å |
| 67 | S | 83.1 | Confident | 86.8 | Confident | 61 Ų | 61 | 59 Ų | 59 | 43% | 0.427 | 34% | 0.339 | S | S | . | . | trans | -136.2 | 135.1 | 170.2 | -170.3 | 0 | 0 | 0 | 0 | 109.2 | G59 E61 | G59-S67 VanDerWaalsContact C-OG 3.25Å; G59-S67 WeakPolarHBondContact CA-OG 3.22Å; G59-S67 PolarHBondContact O-OG 3.09Å; E61-S67 WeakPolarHBondContact O-CB 3.3Å; E61-S67 PolarHBondContact O-OG 3.47Å | ||
| 68 | H | 83.7 | Confident | 86.8 | Confident | 71 Ų | 71 | 58.8 Ų | 58.8 | 33% | 0.329 | 34% | 0.338 | S | S | . | . | trans | -156.1 | 149.9 | 171.6 | 69.2 | -68.7 | 0 | 0 | 0 | 108.9 | H70 | H68-H70 AromaticContact CE1-CE1 3.47Å; H68-H70 PolarHBondContact CE1-CE1 3.29Å; H68-H70 VanDerWaalsContact CE1-CE1 3.47Å; H68-H70 AromaticContact CE1-NE2 3.84Å; H68-H70 AromaticContact NE2-CE1 3.58Å; H68-H70 AromaticContact NE2-ND1 3.8Å; H68-H70 AromaticContact NE2-NE2 3.75Å; H68-H70 PolarHBondContact O-N 3.08Å; H68-H70 PolarHBondContact O-ND1 3.48Å | ||
| 69 | R | 89 | Confident | 86.6 | Confident | 204 Ų | 204 | 59.9 Ų | 59.9 | 77% | 0.77 | 34% | 0.34 | S | S | * | . | P | Polyproline II helix | trans | -76.1 | 124.5 | 173.5 | -177.3 | 176.2 | 177.4 | -175.4 | 1.3 | 109.5 | ||
| 70 | H | 89.7 | Confident | 86.4 | Confident | 36 Ų | 36 | 62 Ų | 62 | 17% | 0.167 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -72.5 | 150.2 | 175.8 | -72.6 | 66.1 | 0 | 0 | 0 | 111.2 | L57 H68 A74 Y75 | L57-H70 HydrophobicContact CD2-CB 4.13Å; L57-H70 WeakPolarHBondContact O-CB 3.21Å; L57-H70 PolarHBondContact O-N 2.96Å; L57-H70 PolarHBondContact O-ND1 3.1Å; H68-H70 AromaticContact CE1-CE1 3.47Å; H68-H70 PolarHBondContact CE1-CE1 3.29Å; H68-H70 VanDerWaalsContact CE1-CE1 3.47Å; H68-H70 AromaticContact CE1-NE2 3.84Å; H68-H70 AromaticContact NE2-CE1 3.58Å; H68-H70 AromaticContact NE2-ND1 3.8Å; H68-H70 AromaticContact NE2-NE2 3.75Å; H68-H70 PolarHBondContact O-N 3.08Å; H68-H70 PolarHBondContact O-ND1 3.48Å; H70-A74 HydrophobicContact CB-CB 3.81Å; H70-Y75 HydrophobicContact CB-CE2 4.37Å |
| 71 | S | 87.7 | Confident | 86.3 | Confident | 29 Ų | 29 | 60 Ų | 60 | 20% | 0.203 | 34% | 0.343 | C | S | . | . | P | Polyproline II helix | trans | -76.2 | 164.7 | -179.9 | 77.1 | 0 | 0 | 0 | 0 | 112.4 | S73 A74 Y75 F310 | S71-S73 PolarHBondContact O-N 3.35Å; S71-S73 VanDerWaalsContact O-N 3.15Å; S71-S73 PolarHBondContact OG-N 2.99Å; S71-A74 WeakPolarHBondContact O-CB 3.44Å; S71-A74 PolarHBondContact O-N 3.29Å; S71-Y75 WeakPolarHBondContact O-CD2 3.43Å; S71-Y75 PolarHBondContact O-N 3.12Å; S71-F310 WeakPolarHBondContact CB-O 3.41Å; S71-F310 PolarHBondContact OG-O 3.18Å |
| 72 | G | 86.6 | Confident | 86.2 | Confident | 51 Ų | 51 | 56.7 Ų | 56.7 | 53% | 0.526 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -54.4 | -32.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y75 R76 | G72-Y75 PolarHBondContact O-N 2.94Å; G72-R76 PolarHBondContact O-N 3.38Å |
| 73 | S | 85 | Confident | 86 | Confident | 9 Ų | 9 | 54.8 Ų | 54.8 | 6% | 0.063 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64.5 | -38.6 | 175.4 | -59 | 0 | 0 | 0 | 0 | 112.4 | S71 Y75 R76 I77 | S71-S73 PolarHBondContact O-N 3.35Å; S71-S73 VanDerWaalsContact O-N 3.15Å; S71-S73 PolarHBondContact OG-N 2.99Å; S73-Y75 PolarHBondContact O-N 3.22Å; S73-R76 PolarHBondContact O-N 2.54Å; S73-R76 PolarHBondContact OG-NH2 3.12Å; S73-I77 WeakPolarHBondContact O-CG1 3.49Å; S73-I77 PolarHBondContact O-N 3.11Å |
| 74 | A | 88.3 | Confident | 85.3 | Confident | 26 Ų | 26 | 55.5 Ų | 55.5 | 22% | 0.215 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.1 | -42 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | H70 S71 R76 I77 L78 | H70-A74 HydrophobicContact CB-CB 3.81Å; S71-A74 WeakPolarHBondContact O-CB 3.44Å; S71-A74 PolarHBondContact O-N 3.29Å; A74-R76 VanDerWaalsContact C-N 3.32Å; A74-R76 PolarHBondContact O-N 2.75Å; A74-I77 PolarHBondContact O-N 3.5Å; A74-L78 WeakPolarHBondContact O-CB 3.19Å; A74-L78 PolarHBondContact O-N 2.98Å |
| 75 | Y | 90 | Very high | 84.2 | Confident | 35 Ų | 35 | 53.1 Ų | 53.1 | 14% | 0.137 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64.4 | -35.7 | 174.6 | -64.4 | -82.5 | 0 | 0 | 0 | 112.5 | Y24 L57 H70 S71 G72 S73 K79 | Y24-Y75 HydrophobicContact CE1-CD1 4.43Å; Y24-Y75 HydrophobicContact CE2-CD1 4.37Å; Y24-Y75 HydrophobicContact CE2-CE1 4.02Å; Y24-Y75 AromaticContact CZ-CD1 3.87Å; Y24-Y75 AromaticContact CZ-CE1 3.85Å; Y24-Y75 WeakPolarHBondContact OH-CD1 3.34Å; Y24-Y75 WeakPolarHBondContact OH-CE1 3.33Å; L57-Y75 HydrophobicContact CB-CE1 3.96Å; L57-Y75 HydrophobicContact CD1-CD1 4.5Å; L57-Y75 HydrophobicContact CD1-CE1 4.23Å; L57-Y75 PolarHBondContact O-OH 2.92Å; H70-Y75 HydrophobicContact CB-CE2 4.37Å; S71-Y75 WeakPolarHBondContact O-CD2 3.43Å; S71-Y75 PolarHBondContact O-N 3.12Å; G72-Y75 PolarHBondContact O-N 2.94Å; S73-Y75 PolarHBondContact O-N 3.22Å; Y75-K79 WeakPolarHBondContact O-CG 3.37Å; Y75-K79 PolarHBondContact O-N 3.15Å |
| 76 | R | 86.1 | Confident | 82.5 | Confident | 62 Ų | 62 | 54.5 Ų | 54.5 | 23% | 0.234 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -66.5 | -45.5 | 174.5 | -76.8 | -171.7 | -84.9 | 101.1 | 0 | 111.6 | G72 S73 A74 L78 K79 E126 | G72-R76 PolarHBondContact O-N 3.38Å; S73-R76 PolarHBondContact O-N 2.54Å; S73-R76 PolarHBondContact OG-NH2 3.12Å; A74-R76 VanDerWaalsContact C-N 3.32Å; A74-R76 PolarHBondContact O-N 2.75Å; R76-L78 PolarHBondContact O-N 3.2Å; R76-K79 WeakPolarHBondContact O-CB 3.17Å; R76-K79 PolarHBondContact O-N 2.93Å; R76-E126 IonicContact CZ-OE2 2.72Å; R76-E126 IonicContact NE-OE2 3.46Å |
| 77 | I | 86.5 | Confident | 80.5 | Confident | 15 Ų | 15 | 55 Ų | 55 | 8% | 0.077 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -59.8 | -45.6 | 176.2 | -72.3 | 165.9 | 0 | 0 | 0 | 110.8 | F34 S73 A74 K79 G80 Y81 F310 | F34-I77 HydrophobicContact CD2-CG2 4.19Å; F34-I77 HydrophobicContact CE1-CG2 4.36Å; F34-I77 HydrophobicContact CE2-CG2 3.81Å; F34-I77 HydrophobicContact CZ-CG2 3.91Å; S73-I77 WeakPolarHBondContact O-CG1 3.49Å; S73-I77 PolarHBondContact O-N 3.11Å; A74-I77 PolarHBondContact O-N 3.5Å; I77-K79 VanDerWaalsContact C-N 3.26Å; I77-K79 PolarHBondContact O-N 2.69Å; I77-G80 PolarHBondContact O-N 2.99Å; I77-Y81 HydrophobicContact CG2-CD2 4.34Å; I77-Y81 HydrophobicContact CG2-CE2 3.67Å; I77-Y81 VanDerWaalsContact O-CD2 3.28Å; I77-Y81 WeakPolarHBondContact O-CD2 3.5Å; I77-F310 HydrophobicContact CD1-CD1 4.2Å; I77-F310 HydrophobicContact CD1-CE1 3.73Å |
| 78 | L | 90.6 | Very high | 78.3 | Confident | 16 Ų | 16 | 54.9 Ų | 54.9 | 8% | 0.084 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -55.5 | -40.5 | 177.9 | -178.9 | 63.5 | 0 | 0 | 0 | 112.2 | V22 Y24 Y29 V31 L57 A74 R76 G80 Y81 | V22-L78 HydrophobicContact CG2-CD1 4.29Å; Y24-L78 HydrophobicContact CD1-CD2 4.03Å; Y24-L78 HydrophobicContact CD2-CD2 4.49Å; Y24-L78 HydrophobicContact CG-CD2 3.89Å; Y29-L78 HydrophobicContact CD1-CD1 3.84Å; Y29-L78 HydrophobicContact CD1-CG 3.88Å; Y29-L78 WeakPolarHBondContact CD1-O 3.49Å; Y29-L78 HydrophobicContact CD2-CD1 4.28Å; Y29-L78 HydrophobicContact CD2-CG 4.46Å; Y29-L78 HydrophobicContact CE1-CD1 4.45Å; Y29-L78 HydrophobicContact CE1-CG 4Å; Y29-L78 VanDerWaalsContact CE1-O 3.3Å; Y29-L78 WeakPolarHBondContact CE1-O 3.26Å; Y29-L78 HydrophobicContact CG-CD1 3.73Å; Y29-L78 HydrophobicContact CG-CG 4.13Å; V31-L78 HydrophobicContact CG1-CD1 3.93Å; L57-L78 HydrophobicContact CD1-CD2 3.68Å; A74-L78 WeakPolarHBondContact O-CB 3.19Å; A74-L78 PolarHBondContact O-N 2.98Å; R76-L78 PolarHBondContact O-N 3.2Å; L78-G80 PolarHBondContact O-N 2.75Å; L78-Y81 PolarHBondContact O-N 3.4Å |
| 79 | K | 87.4 | Confident | 75.8 | Confident | 84 Ų | 84 | 56.4 Ų | 56.4 | 37% | 0.365 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -56.5 | -33 | 178 | -71.9 | 176.1 | -179.7 | 179.8 | 0 | 112.8 | Y75 R76 I77 Y81 S82 | Y75-K79 WeakPolarHBondContact O-CG 3.37Å; Y75-K79 PolarHBondContact O-N 3.15Å; R76-K79 WeakPolarHBondContact O-CB 3.17Å; R76-K79 PolarHBondContact O-N 2.93Å; I77-K79 VanDerWaalsContact C-N 3.26Å; I77-K79 PolarHBondContact O-N 2.69Å; K79-Y81 PolarHBondContact O-N 2.99Å; K79-S82 PolarHBondContact O-N 3.18Å |
| 80 | G | 85.2 | Confident | 73.2 | Confident | 68 Ų | 68 | 51.6 Ų | 51.6 | 70% | 0.701 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -65.6 | -19.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | I77 L78 | I77-G80 PolarHBondContact O-N 2.99Å; L78-G80 PolarHBondContact O-N 2.75Å |
| 81 | Y | 87.4 | Confident | 70.4 | Confident | 37 Ų | 37 | 56 Ų | 56 | 15% | 0.145 | 38% | 0.381 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | 11.1 | -178.8 | -63.7 | -67.5 | 0 | 0 | 0 | 113.6 | Y29 D30 V31 P33 F34 I77 L78 K79 V83 | Y29-Y81 CarbonylContact C-O 3.6Å; Y29-Y81 VanDerWaalsContact CA-O 3.24Å; Y29-Y81 WeakPolarHBondContact CA-O 3.47Å; D30-Y81 PolarHBondContact N-O 3.15Å; D30-Y81 WeakPolarHBondContact O-CB 3.03Å; D30-Y81 WeakPolarHBondContact O-CD1 3.48Å; V31-Y81 HydrophobicContact CG1-CG 4.49Å; P33-Y81 HydrophobicContact CB-CE1 4.28Å; P33-Y81 HydrophobicContact CG-CD1 3.76Å; P33-Y81 HydrophobicContact CG-CE1 3.53Å; F34-Y81 HydrophobicContact CB-CD2 4.38Å; F34-Y81 HydrophobicContact CB-CE1 4.18Å; F34-Y81 HydrophobicContact CB-CE2 3.69Å; F34-Y81 AromaticContact CD2-CE2 3.92Å; F34-Y81 HydrophobicContact CD2-CE2 3.92Å; F34-Y81 AromaticContact CD2-CZ 3.99Å; F34-Y81 WeakPolarHBondContact CD2-OH 3.41Å; F34-Y81 AromaticContact CG-CE2 3.81Å; F34-Y81 HydrophobicContact CG-CE2 3.81Å; I77-Y81 HydrophobicContact CG2-CD2 4.34Å; I77-Y81 HydrophobicContact CG2-CE2 3.67Å; I77-Y81 VanDerWaalsContact O-CD2 3.28Å; I77-Y81 WeakPolarHBondContact O-CD2 3.5Å; L78-Y81 PolarHBondContact O-N 3.4Å; K79-Y81 PolarHBondContact O-N 2.99Å; Y81-V83 PolarHBondContact O-N 3.19Å |
| 82 | S | 88.4 | Confident | 67.7 | Low | 28 Ų | 28 | 58.9 Ų | 58.9 | 20% | 0.196 | 40% | 0.397 | C | S | . | . | B | Isolated β-bridge | trans | -66.3 | 125.5 | -179.9 | -175.6 | 0 | 0 | 0 | 0 | 111.5 | K79 L84 | K79-S82 PolarHBondContact O-N 3.18Å; S82-L84 VanDerWaalsContact C-N 3.32Å; S82-L84 PolarHBondContact O-N 3.45Å |
| 83 | V | 83.7 | Confident | 64.8 | Low | 33 Ų | 33 | 62.3 Ų | 62.3 | 20% | 0.2 | 41% | 0.41 | C | S | . | . | S | Bend | trans | -67.7 | -31.2 | -178.7 | 170.9 | 0 | 0 | 0 | 0 | 112.7 | L9 L13 L28 D30 Y81 | L9-V83 HydrophobicContact CD2-CG1 3.96Å; L9-V83 HydrophobicContact CG-CG1 4.34Å; L13-V83 HydrophobicContact CD1-CB 4.11Å; L13-V83 HydrophobicContact CD1-CG1 3.26Å; L13-V83 HydrophobicContact CD1-CG2 3.64Å; L28-V83 HydrophobicContact CB-CG2 4.46Å; L28-V83 HydrophobicContact CD2-CB 4.44Å; L28-V83 HydrophobicContact CD2-CG2 4.08Å; L28-V83 HydrophobicContact CG-CG2 4.06Å; L28-V83 PolarHBondContact O-N 3.25Å; D30-V83 HydrophobicContact CB-CG2 3.97Å; Y81-V83 PolarHBondContact O-N 3.19Å |
| 84 | L | 70.7 | Confident | 62.3 | Low | 46 Ų | 46 | 64.5 Ų | 64.5 | 24% | 0.241 | 42% | 0.422 | C | S | . | . | S | Bend | trans | -112.8 | 2.2 | -168.2 | -69.2 | -178.7 | 0 | 0 | 0 | 114.6 | M1 K6 L9 Q10 S82 | M1-L84 HydrophobicContact CE-CD2 3.41Å; M1-L84 VanDerWaalsContact CE-CD2 3.41Å; K6-L84 HydrophobicContact CB-CD1 4.16Å; K6-L84 HydrophobicContact CB-CD2 4.12Å; K6-L84 HydrophobicContact CD-CD1 4.2Å; K6-L84 HydrophobicContact CD-CD2 4.29Å; K6-L84 HydrophobicContact CG-CD1 4.34Å; K6-L84 HydrophobicContact CG-CD2 3.85Å; L9-L84 HydrophobicContact CD2-CD2 4.44Å; Q10-L84 HydrophobicContact CG-CD1 3.99Å; Q10-L84 HydrophobicContact CG-CG 4.47Å; Q10-L84 VanDerWaalsContact NE2-CD1 3.3Å; S82-L84 VanDerWaalsContact C-N 3.32Å; S82-L84 PolarHBondContact O-N 3.45Å |
| 85 | G | 58.8 | Low | 59.4 | Low | 39 Ų | 39 | 70.7 Ų | 70.7 | 40% | 0.402 | 45% | 0.451 | S | S | . | . | trans | 61.4 | 165.4 | -168.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | V87 | G85-V87 VanDerWaalsContact C-N 3.31Å; G85-V87 PolarHBondContact O-N 3.31Å | ||
| 86 | A | 46.1 | Very low | 56.5 | Low | 102 Ų | 102 | 73.8 Ų | 73.8 | 84% | 0.843 | 48% | 0.477 | S | S | * | . | S | Bend | trans | -60.8 | 85 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 87 | V | 36.1 | Very low | 54.1 | Low | 102 Ų | 102 | 72.4 Ų | 72.4 | 62% | 0.618 | 48% | 0.477 | S | S | * | . | trans | -133.2 | 67.4 | 172.1 | -167 | 0 | 0 | 0 | 0 | 107.5 | G85 | G85-V87 VanDerWaalsContact C-N 3.31Å; G85-V87 PolarHBondContact O-N 3.31Å | ||
| 88 | S | 36.7 | Very low | 51.7 | Low | 59 Ų | 59 | 76.9 Ų | 76.9 | 41% | 0.413 | 51% | 0.505 | S | S | . | . | trans | -134 | 118.4 | 161.2 | -166.9 | 0 | 0 | 0 | 0 | 109.7 | T90 | S88-T90 VanDerWaalsContact C-N 3.28Å; S88-T90 PolarHBondContact O-N 3.1Å | ||
| 89 | A | 32.1 | Very low | 49.7 | Very low | 104 Ų | 104 | 76.8 Ų | 76.8 | 86% | 0.86 | 51% | 0.505 | S | S | * | . | S | Bend | trans | -75.9 | 78 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||
| 90 | T | 33.5 | Very low | 48.2 | Very low | 102 Ų | 102 | 77.1 Ų | 77.1 | 63% | 0.626 | 51% | 0.511 | S | S | * | . | trans | -164.8 | 117.6 | 154.6 | 28 | 0 | 0 | 0 | 0 | 107.1 | S88 V92 | S88-T90 VanDerWaalsContact C-N 3.28Å; S88-T90 PolarHBondContact O-N 3.1Å; T90-V92 PolarHBondContact O-N 3.2Å | ||
| 91 | P | 30.8 | Very low | 47.4 | Very low | 130 Ų | 130 | 78.6 Ų | 78.6 | 84% | 0.844 | 51% | 0.51 | S | S | * | . | trans | -77.7 | 93.9 | 173.7 | 30.3 | -27.2 | 0 | 0 | 0 | 107.6 | P93 | P91-P93 WeakPolarHBondContact O-CD 3.37Š| ||
| 92 | V | 32.1 | Very low | 47.2 | Very low | 89 Ų | 89 | 78.8 Ų | 78.8 | 54% | 0.539 | 51% | 0.513 | S | S | . | . | trans | -71.9 | 121 | 149.6 | -174.5 | 0 | 0 | 0 | 0 | 104.9 | T90 V94 | T90-V92 PolarHBondContact O-N 3.2Å; V92-V94 HydrophobicContact CG1-CG2 3.98Å; V92-V94 PolarHBondContact O-N 3.09Å | ||
| 93 | P | 26.1 | Very low | 47.2 | Very low | 123 Ų | 123 | 77.7 Ų | 77.7 | 80% | 0.799 | 51% | 0.506 | S | S | * | . | trans | -74 | 70.1 | -178.6 | 31.4 | -33.3 | 0 | 0 | 0 | 109.3 | P91 L95 | P91-P93 WeakPolarHBondContact O-CD 3.37Å; P93-L95 PolarHBondContact O-N 3.29Å | ||
| 94 | V | 32 | Very low | 47.5 | Very low | 54 Ų | 54 | 79.3 Ų | 79.3 | 33% | 0.327 | 51% | 0.513 | S | S | . | . | trans | -88.6 | 93.9 | 161.6 | -175.3 | 0 | 0 | 0 | 0 | 105.2 | V92 C96 | V92-V94 HydrophobicContact CG1-CG2 3.98Å; V92-V94 PolarHBondContact O-N 3.09Å; V94-C96 PolarHBondContact O-N 3.13Å | ||
| 95 | L | 27.9 | Very low | 48.2 | Very low | 156 Ų | 156 | 81.1 Ų | 81.1 | 82% | 0.817 | 53% | 0.526 | S | S | * | . | trans | -17.2 | 92.1 | 171.3 | -121.2 | 85.1 | 0 | 0 | 0 | 110.5 | P93 S97 | P93-L95 PolarHBondContact O-N 3.29Å; L95-S97 PolarHBondContact O-N 3.48Å | ||
| 96 | C | 28.2 | Very low | 49.5 | Very low | 101 Ų | 101 | 83.6 Ų | 83.6 | 68% | 0.682 | 54% | 0.537 | S | S | * | . | trans | -75.9 | 93 | 165.6 | -141.1 | 0 | 0 | 0 | 0 | 102.8 | V94 T98 | V94-C96 PolarHBondContact O-N 3.13Å; C96-T98 PolarHBondContact O-N 2.89Å | ||
| 97 | S | 35.2 | Very low | 51.6 | Low | 33 Ų | 33 | 85.3 Ų | 85.3 | 23% | 0.231 | 52% | 0.522 | C | S | . | . | trans | -55.7 | 126.7 | 177.3 | 62.3 | 0 | 0 | 0 | 0 | 106.7 | L95 V99 E126 | L95-S97 PolarHBondContact O-N 3.48Å; S97-V99 PolarHBondContact O-N 2.71Å; S97-E126 PolarHBondContact OG-OE2 2.84Å | ||
| 98 | T | 37.5 | Very low | 54.3 | Low | 108 Ų | 108 | 80.8 Ų | 80.8 | 66% | 0.663 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | 26.8 | 175.3 | 49.9 | 0 | 0 | 0 | 0 | 112 | C96 S101 | C96-T98 PolarHBondContact O-N 2.89Å; T98-S101 PolarHBondContact O-OG 3.25Å |
| 99 | V | 48 | Very low | 57 | Low | 15 Ų | 15 | 78 Ų | 78 | 9% | 0.091 | 48% | 0.475 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | -35.1 | -160.5 | 178.1 | 0 | 0 | 0 | 0 | 110.3 | S97 S101 L102 W123 E126 | S97-V99 PolarHBondContact O-N 2.71Å; V99-S101 PolarHBondContact O-N 3.37Å; V99-L102 HydrophobicContact CG1-CD1 4.3Å; V99-L102 VanDerWaalsContact O-CB 3.31Å; V99-L102 WeakPolarHBondContact O-CB 3.45Å; V99-L102 WeakPolarHBondContact O-CG 3.37Å; V99-L102 PolarHBondContact O-N 3.14Å; V99-L102 VanDerWaalsContact O-N 3.1Å; V99-W123 HydrophobicContact CG1-CB 3.88Å; V99-W123 HydrophobicContact CG1-CG 4.05Å; V99-W123 VanDerWaalsContact O-CD1 3.29Å; V99-E126 VanDerWaalsContact CB-OE2 3.24Å; V99-E126 WeakPolarHBondContact CB-OE2 3.28Å; V99-E126 HydrophobicContact CG1-CG 4.49Å; V99-E126 WeakPolarHBondContact CG1-OE2 3.25Å |
| 100 | D | 55.9 | Low | 60 | Low | 91 Ų | 91 | 74.1 Ų | 74.1 | 49% | 0.487 | 44% | 0.441 | S | S | . | . | G | 310 helix | trans | -69.8 | -16.9 | 170.6 | -75.3 | -24 | 0 | 0 | 0 | 112.9 | L102 K231 | D100-L102 PolarHBondContact O-N 3.15Å; D100-K231 IonicContact OD1-NZ 3.86Å |
| 101 | S | 67.9 | Low | 62.9 | Low | 98 Ų | 98 | 75.5 Ų | 75.5 | 69% | 0.685 | 44% | 0.44 | S | S | * | . | G | 310 helix | trans | -75.4 | -5 | 170.5 | 54.4 | 0 | 0 | 0 | 0 | 114.4 | T98 V99 | T98-S101 PolarHBondContact O-OG 3.25Å; V99-S101 PolarHBondContact O-N 3.37Å |
| 102 | L | 83.8 | Confident | 65.9 | Low | 41 Ų | 41 | 71.2 Ų | 71.2 | 22% | 0.215 | 41% | 0.409 | C | S | . | . | G | 310 helix | trans | -83.3 | -23 | -176.1 | -59.1 | -178.7 | 0 | 0 | 0 | 113.8 | V99 D100 L116 R119 | V99-L102 HydrophobicContact CG1-CD1 4.3Å; V99-L102 VanDerWaalsContact O-CB 3.31Å; V99-L102 WeakPolarHBondContact O-CB 3.45Å; V99-L102 WeakPolarHBondContact O-CG 3.37Å; V99-L102 PolarHBondContact O-N 3.14Å; V99-L102 VanDerWaalsContact O-N 3.1Å; D100-L102 PolarHBondContact O-N 3.15Å; L102-L116 HydrophobicContact CB-CD2 3.55Å; L102-L116 HydrophobicContact CD1-CD2 4Å; L102-L116 HydrophobicContact CG-CD2 4.39Å; L102-R119 HydrophobicContact CD1-CB 4.11Å; L102-R119 VanDerWaalsContact CD2-CZ 3.45Å |
| 103 | V | 87.9 | Confident | 68.9 | Low | 6 Ų | 6 | 67 Ų | 67 | 4% | 0.036 | 38% | 0.383 | C | S | . | . | S | Bend | trans | -133 | 127.8 | -178.3 | 176.5 | 0 | 0 | 0 | 0 | 108.7 | T105 V109 Q112 L116 W123 | V103-T105 PolarHBondContact O-N 3.15Å; V103-V109 HydrophobicContact CG1-CB 4.4Å; V103-V109 HydrophobicContact CG1-CG1 4.04Å; V103-V109 HydrophobicContact CG1-CG2 3.92Å; V103-Q112 HydrophobicContact CG1-CB 4.25Å; V103-L116 HydrophobicContact CG2-CD1 4.03Å; V103-L116 HydrophobicContact CG2-CD2 3.95Å; V103-L116 HydrophobicContact CG2-CG 4.25Å; V103-W123 HydrophobicContact CB-CZ2 3.9Å; V103-W123 HydrophobicContact CG1-CZ2 4.16Å; V103-W123 HydrophobicContact CG2-CD2 4.34Å; V103-W123 HydrophobicContact CG2-CH2 4.35Å; V103-W123 HydrophobicContact CG2-CZ2 3.6Å |
| 104 | D | 89.3 | Confident | 72 | Confident | 67 Ų | 67 | 61.9 Ų | 61.9 | 36% | 0.358 | 35% | 0.353 | S | S | . | . | trans | -77 | 101.3 | 171.4 | 178.7 | 2.9 | 0 | 0 | 0 | 109.4 | S106 R107 Q112 | D104-S106 VanDerWaalsContact CG-OG 3.26Å; D104-S106 PolarHBondContact O-N 3.4Å; D104-S106 VanDerWaalsContact OD1-CB 3.27Å; D104-S106 WeakPolarHBondContact OD1-CB 3.42Å; D104-S106 PolarHBondContact OD1-N 3.02Å; D104-S106 PolarHBondContact OD1-OG 3.46Å; D104-S106 PolarHBondContact OD2-OG 2.97Å; D104-R107 PolarHBondContact O-N 3.4Å; D104-R107 VanDerWaalsContact O-N 3.11Å; D104-R107 WeakPolarHBondContact OD2-CD 3.48Å; D104-R107 WeakPolarHBondContact OD2-CG 3.29Å; D104-Q112 PolarHBondContact O-NE2 3.16Å | ||
| 105 | T | 86 | Confident | 75 | Confident | 84 Ų | 84 | 62.7 Ų | 62.7 | 52% | 0.515 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -11.2 | -178.9 | 57.4 | 0 | 0 | 0 | 0 | 113.5 | V103 R107 L132 | V103-T105 PolarHBondContact O-N 3.15Å; T105-R107 PolarHBondContact O-N 3.5Å; T105-L132 HydrophobicContact CG2-CD2 3.7Å |
| 106 | S | 85.7 | Confident | 78.1 | Confident | 91 Ų | 91 | 55.3 Ų | 55.3 | 64% | 0.636 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -14.7 | 171.7 | 78.8 | 0 | 0 | 0 | 0 | 112.7 | D104 | D104-S106 VanDerWaalsContact CG-OG 3.26Å; D104-S106 PolarHBondContact O-N 3.4Å; D104-S106 VanDerWaalsContact OD1-CB 3.27Å; D104-S106 WeakPolarHBondContact OD1-CB 3.42Å; D104-S106 PolarHBondContact OD1-N 3.02Å; D104-S106 PolarHBondContact OD1-OG 3.46Å; D104-S106 PolarHBondContact OD2-OG 2.97Å |
| 107 | R | 90.2 | Very high | 81.3 | Confident | 138 Ų | 138 | 56.4 Ų | 56.4 | 52% | 0.521 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -114.6 | 159.6 | -179.2 | -64.2 | 179.8 | 71.2 | -173.4 | 0.3 | 111 | D104 T105 V109 Q112 | D104-R107 PolarHBondContact O-N 3.4Å; D104-R107 VanDerWaalsContact O-N 3.11Å; D104-R107 WeakPolarHBondContact OD2-CD 3.48Å; D104-R107 WeakPolarHBondContact OD2-CG 3.29Å; T105-R107 PolarHBondContact O-N 3.5Å; R107-V109 PolarHBondContact O-N 3.26Å; R107-Q112 PolarHBondContact O-NE2 2.86Å |
| 108 | P | 93.6 | Very high | 84 | Confident | 7 Ų | 7 | 60.5 Ų | 60.5 | 5% | 0.045 | 34% | 0.339 | C | S | . | . | trans | -52.5 | 125.6 | 173.8 | -32.5 | 42 | 0 | 0 | 0 | 112.5 | Q112 R133 L134 F135 H136 | P108-Q112 PolarHBondContact O-NE2 2.72Å; P108-R133 WeakPolarHBondContact CA-O 3.19Å; P108-R133 HydrophobicContact CG-CG 4.32Å; P108-L134 WeakPolarHBondContact CB-O 3.46Å; P108-F135 VanDerWaalsContact CG-C 3.49Å; P108-H136 HydrophobicContact CG-CB 4.32Å | ||
| 109 | V | 94 | Very high | 86.7 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -79 | -34.4 | -170.7 | 170.9 | 0 | 0 | 0 | 0 | 112.2 | V103 R107 E111 Q112 I113 W123 L132 R133 F223 | V103-V109 HydrophobicContact CG1-CB 4.4Å; V103-V109 HydrophobicContact CG1-CG1 4.04Å; V103-V109 HydrophobicContact CG1-CG2 3.92Å; R107-V109 PolarHBondContact O-N 3.26Å; V109-E111 PolarHBondContact O-N 3.44Å; V109-E111 VanDerWaalsContact O-N 3.16Å; V109-Q112 WeakPolarHBondContact O-CA 3.43Å; V109-Q112 WeakPolarHBondContact O-CB 3.41Å; V109-Q112 PolarHBondContact O-N 3.23Å; V109-I113 HydrophobicContact CG1-CD1 3.7Å; V109-I113 HydrophobicContact CG1-CG1 4.25Å; V109-I113 WeakPolarHBondContact O-CG1 3.24Å; V109-I113 PolarHBondContact O-N 3.25Å; V109-I113 VanDerWaalsContact O-N 3.14Å; V109-W123 HydrophobicContact CG1-CH2 3.78Å; V109-W123 HydrophobicContact CG1-CZ2 4.4Å; V109-L132 HydrophobicContact CG2-CB 4.07Å; V109-L132 HydrophobicContact CG2-CD1 4.28Å; V109-L132 HydrophobicContact CG2-CD2 4.23Å; V109-L132 HydrophobicContact CG2-CG 4.42Å; V109-R133 PolarHBondContact N-O 3.01Å; V109-F223 HydrophobicContact CB-CE1 4.5Å; V109-F223 HydrophobicContact CB-CZ 4.48Å; V109-F223 HydrophobicContact CG1-CE1 3.92Å; V109-F223 HydrophobicContact CG1-CE2 4.41Å; V109-F223 HydrophobicContact CG1-CZ 3.67Å |
| 110 | V | 94.4 | Very high | 88.9 | Confident | 22 Ų | 22 | 60.3 Ų | 60.3 | 13% | 0.133 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -56.7 | -37.5 | -174.2 | 174.7 | 0 | 0 | 0 | 0 | 112.1 | Q112 L134 F135 A220 F223 I224 | V110-Q112 VanDerWaalsContact C-N 3.3Å; V110-Q112 PolarHBondContact O-N 3.29Å; V110-L134 WeakPolarHBondContact CB-O 3.28Å; V110-L134 HydrophobicContact CG2-CB 3.98Å; V110-L134 WeakPolarHBondContact CG2-O 3.45Å; V110-F135 HydrophobicContact CB-CE1 4.39Å; V110-F135 HydrophobicContact CG1-CE1 4.27Å; V110-F135 HydrophobicContact CG2-CE1 4.1Å; V110-F135 HydrophobicContact CG2-CZ 4.3Å; V110-A220 HydrophobicContact CG1-CB 4.16Å; V110-F223 HydrophobicContact CG2-CD1 4.19Å; V110-F223 HydrophobicContact CG2-CE1 4.18Å; V110-I224 HydrophobicContact CG1-CD1 4.29Å; V110-I224 HydrophobicContact CG2-CD1 4.38Å; V110-I224 HydrophobicContact CG2-CG1 4.36Å |
| 111 | E | 93.7 | Very high | 90.7 | Very high | 131 Ų | 131 | 58 Ų | 58 | 61% | 0.612 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -73.1 | -22.9 | 178.9 | -64.5 | 179.1 | 176.7 | 0 | 0 | 113.3 | V109 H136 | V109-E111 PolarHBondContact O-N 3.44Å; V109-E111 VanDerWaalsContact O-N 3.16Å; E111-H136 VanDerWaalsContact CD-CD2 3.47Å; E111-H136 VanDerWaalsContact CD-NE2 3.32Å; E111-H136 IonicContact OE1-CD2 3.05Å; E111-H136 PolarHBondContact OE1-CD2 3.49Å; E111-H136 IonicContact OE1-NE2 3.37Å; E111-H136 PolarHBondContact OE1-NE2 2.9Å; E111-H136 IonicContact OE2-CD2 3.38Å; E111-H136 PolarHBondContact OE2-CD2 3.18Å; E111-H136 IonicContact OE2-CE1 3.93Å; E111-H136 IonicContact OE2-NE2 2.74Å; E111-H136 PolarHBondContact OE2-NE2 3.15Å |
| 112 | Q | 94.7 | Very high | 91.9 | Very high | 40 Ų | 40 | 56.1 Ų | 56.1 | 19% | 0.187 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -88.1 | -22.7 | -179.5 | -60.5 | 179 | 68.6 | 0 | 0 | 112.1 | V103 D104 R107 P108 V109 V110 G114 A115 | V103-Q112 HydrophobicContact CG1-CB 4.25Å; D104-Q112 PolarHBondContact O-NE2 3.16Å; R107-Q112 PolarHBondContact O-NE2 2.86Å; P108-Q112 PolarHBondContact O-NE2 2.72Å; V109-Q112 WeakPolarHBondContact O-CA 3.43Å; V109-Q112 WeakPolarHBondContact O-CB 3.41Å; V109-Q112 PolarHBondContact O-N 3.23Å; V110-Q112 VanDerWaalsContact C-N 3.3Å; V110-Q112 PolarHBondContact O-N 3.29Å; Q112-G114 VanDerWaalsContact C-N 3.28Å; Q112-G114 PolarHBondContact O-N 3.37Å; Q112-A115 WeakPolarHBondContact O-CB 3.31Å; Q112-A115 PolarHBondContact O-N 3.38Å |
| 113 | I | 94.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -51.1 | -46.7 | -176 | -68.5 | -53.1 | 0 | 0 | 0 | 111.9 | V109 A115 L116 Y120 W123 M219 F223 | V109-I113 HydrophobicContact CG1-CD1 3.7Å; V109-I113 HydrophobicContact CG1-CG1 4.25Å; V109-I113 WeakPolarHBondContact O-CG1 3.24Å; V109-I113 PolarHBondContact O-N 3.25Å; V109-I113 VanDerWaalsContact O-N 3.14Å; I113-A115 PolarHBondContact O-N 2.91Å; I113-A115 VanDerWaalsContact O-N 3.09Å; I113-L116 HydrophobicContact CD1-CD1 4.08Å; I113-L116 VanDerWaalsContact O-CB 3.28Å; I113-L116 WeakPolarHBondContact O-CB 3.32Å; I113-L116 PolarHBondContact O-N 3.02Å; I113-Y120 HydrophobicContact CD1-CE2 4.28Å; I113-Y120 HydrophobicContact CG2-CD2 3.75Å; I113-Y120 HydrophobicContact CG2-CE2 3.49Å; I113-Y120 VanDerWaalsContact CG2-CE2 3.49Å; I113-W123 HydrophobicContact CD1-CE3 4.37Å; I113-W123 HydrophobicContact CD1-CH2 3.87Å; I113-W123 HydrophobicContact CD1-CZ3 3.55Å; I113-M219 HydrophobicContact CG2-CB 3.72Å; I113-M219 HydrophobicContact CG2-CE 3.83Å; I113-M219 WeakPolarHBondContact O-CE 3.21Å; I113-F223 HydrophobicContact CD1-CD1 4.22Å; I113-F223 HydrophobicContact CD1-CD2 3.85Å; I113-F223 HydrophobicContact CD1-CE1 4.37Å; I113-F223 HydrophobicContact CD1-CE2 4.09Å; I113-F223 HydrophobicContact CD1-CG 3.96Å; I113-F223 HydrophobicContact CD1-CZ 4.33Å; I113-F223 HydrophobicContact CG1-CB 4.29Å; I113-F223 HydrophobicContact CG1-CD1 3.99Å; I113-F223 HydrophobicContact CG1-CD2 4.4Å; I113-F223 HydrophobicContact CG1-CE1 4.41Å; I113-F223 HydrophobicContact CG1-CG 3.98Å |
| 114 | G | 92.8 | Very high | 92.6 | Very high | 16 Ų | 16 | 54 Ų | 54 | 17% | 0.165 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -55.3 | -29.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q112 L116 | Q112-G114 VanDerWaalsContact C-N 3.28Å; Q112-G114 PolarHBondContact O-N 3.37Å; G114-L116 VanDerWaalsContact C-N 3.27Å; G114-L116 PolarHBondContact O-N 3.37Å |
| 115 | A | 94 | Very high | 92.6 | Very high | 72 Ų | 72 | 51.5 Ų | 51.5 | 60% | 0.595 | 27% | 0.27 | S | S | * | . | G | 310 helix | trans | -75.7 | -14.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q112 I113 | Q112-A115 WeakPolarHBondContact O-CB 3.31Å; Q112-A115 PolarHBondContact O-N 3.38Å; I113-A115 PolarHBondContact O-N 2.91Å; I113-A115 VanDerWaalsContact O-N 3.09Å |
| 116 | L | 94 | Very high | 92.8 | Very high | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -70.5 | -31.3 | 179.4 | -67.4 | 172.1 | 0 | 0 | 0 | 112.7 | L102 V103 I113 G114 D118 R119 Y120 W123 M219 | L102-L116 HydrophobicContact CB-CD2 3.55Å; L102-L116 HydrophobicContact CD1-CD2 4Å; L102-L116 HydrophobicContact CG-CD2 4.39Å; V103-L116 HydrophobicContact CG2-CD1 4.03Å; V103-L116 HydrophobicContact CG2-CD2 3.95Å; V103-L116 HydrophobicContact CG2-CG 4.25Å; I113-L116 HydrophobicContact CD1-CD1 4.08Å; I113-L116 VanDerWaalsContact O-CB 3.28Å; I113-L116 WeakPolarHBondContact O-CB 3.32Å; I113-L116 PolarHBondContact O-N 3.02Å; G114-L116 VanDerWaalsContact C-N 3.27Å; G114-L116 PolarHBondContact O-N 3.37Å; L116-D118 PolarHBondContact O-N 3.5Å; L116-R119 WeakPolarHBondContact O-CB 3.24Å; L116-R119 PolarHBondContact O-N 2.82Å; L116-Y120 HydrophobicContact CD1-CD2 4Å; L116-W123 HydrophobicContact CD1-CB 4.31Å; L116-W123 HydrophobicContact CD1-CD2 3.64Å; L116-W123 HydrophobicContact CD1-CE3 3.52Å; L116-W123 HydrophobicContact CD1-CG 3.98Å; L116-W123 HydrophobicContact CD1-CZ3 4.11Å; L116-W123 HydrophobicContact CD2-CB 4.48Å; L116-W123 HydrophobicContact CD2-CG 4.26Å; L116-M219 HydrophobicContact CB-CE 4.42Å |
| 117 | K | 93.9 | Very high | 92.9 | Very high | 124 Ų | 124 | 44.7 Ų | 44.7 | 54% | 0.539 | 22% | 0.223 | S | C | . | . | G | 310 helix | trans | 49.4 | -122.8 | -179.6 | -63.5 | -174 | 177.5 | -176.4 | 0 | 111.8 | R119 Y120 V213 | K117-R119 PolarHBondContact O-N 3.18Å; K117-Y120 WeakPolarHBondContact O-CB 3.4Å; K117-Y120 PolarHBondContact O-N 3.17Å; K117-Y120 VanDerWaalsContact O-N 3.13Å; K117-V213 HydrophobicContact CB-CG1 3.76Å |
| 118 | D | 93.5 | Very high | 92.7 | Very high | 118 Ų | 118 | 39.4 Ų | 39.4 | 63% | 0.631 | 21% | 0.206 | S | C | * | . | G | 310 helix | trans | -61.1 | -24.5 | 178.7 | 58.1 | -57.4 | 0 | 0 | 0 | 113.3 | L116 Y120 V213 | L116-D118 PolarHBondContact O-N 3.5Å; D118-Y120 VanDerWaalsContact C-N 3.3Å; D118-Y120 PolarHBondContact O-N 3.15Å; D118-V213 HydrophobicContact CB-CG1 4.44Å |
| 119 | R | 93.2 | Very high | 92 | Very high | 114 Ų | 114 | 40.8 Ų | 40.8 | 43% | 0.43 | 22% | 0.216 | S | C | . | . | G | 310 helix | trans | -82.9 | -5.4 | 178.6 | -55.8 | 179.4 | -66.6 | -175.3 | 2.4 | 113.6 | L102 L116 K117 W121 S122 W123 | L102-R119 HydrophobicContact CD1-CB 4.11Å; L102-R119 VanDerWaalsContact CD2-CZ 3.45Å; L116-R119 WeakPolarHBondContact O-CB 3.24Å; L116-R119 PolarHBondContact O-N 2.82Å; K117-R119 PolarHBondContact O-N 3.18Å; R119-W121 PolarHBondContact O-N 2.86Å; R119-S122 PolarHBondContact O-OG 3.46Å; R119-W123 VanDerWaalsContact O-CB 3.23Å; R119-W123 WeakPolarHBondContact O-CB 3.48Å; R119-W123 PolarHBondContact O-N 2.93Å |
| 120 | Y | 95 | Very high | 91.3 | Very high | 5 Ų | 5 | 46.6 Ų | 46.6 | 2% | 0.02 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -58.1 | -48.3 | -179.1 | 172.6 | -108.7 | 0 | 0 | 0 | 112.1 | I113 L116 K117 D118 S122 W123 I124 P211 M219 H222 F223 | I113-Y120 HydrophobicContact CD1-CE2 4.28Å; I113-Y120 HydrophobicContact CG2-CD2 3.75Å; I113-Y120 HydrophobicContact CG2-CE2 3.49Å; I113-Y120 VanDerWaalsContact CG2-CE2 3.49Å; L116-Y120 HydrophobicContact CD1-CD2 4Å; K117-Y120 WeakPolarHBondContact O-CB 3.4Å; K117-Y120 PolarHBondContact O-N 3.17Å; K117-Y120 VanDerWaalsContact O-N 3.13Å; D118-Y120 VanDerWaalsContact C-N 3.3Å; D118-Y120 PolarHBondContact O-N 3.15Å; Y120-S122 PolarHBondContact O-N 2.84Å; Y120-W123 PolarHBondContact O-N 3.39Å; Y120-I124 HydrophobicContact CE1-CD1 4.13Å; Y120-I124 HydrophobicContact CE2-CD1 3.76Å; Y120-I124 VanDerWaalsContact CZ-CD1 3.44Å; Y120-I124 WeakPolarHBondContact O-CB 3.24Å; Y120-I124 VanDerWaalsContact O-CG2 3.3Å; Y120-I124 WeakPolarHBondContact O-CG2 3.31Å; Y120-I124 PolarHBondContact O-N 3.38Å; Y120-I124 WeakPolarHBondContact OH-CD1 3.46Å; Y120-P211 HydrophobicContact CD1-CG 3.9Å; Y120-P211 HydrophobicContact CE1-CG 3.55Å; Y120-M219 HydrophobicContact CD1-CG 4.3Å; Y120-M219 HydrophobicContact CD2-CE 4.02Å; Y120-M219 HydrophobicContact CG-CE 3.93Å; Y120-M219 HydrophobicContact CG-CG 4.45Å; Y120-M219 PolarHBondContact OH-O 2.84Å; Y120-H222 AromaticContact CE1-ND1 3.44Å; Y120-H222 WeakPolarHBondContact CE1-ND1 3.35Å; Y120-H222 AromaticContact CZ-ND1 3.51Å; Y120-H222 PolarHBondContact OH-ND1 2.7Å; Y120-F223 HydrophobicContact CE2-CB 4.26Å; Y120-F223 VanDerWaalsContact OH-CA 3.23Å; Y120-F223 WeakPolarHBondContact OH-CA 3.35Å; Y120-F223 WeakPolarHBondContact OH-CB 3.33Å; Y120-F223 PolarHBondContact OH-N 3.39Å |
| 121 | W | 93.3 | Very high | 90.9 | Very high | 43 Ų | 43 | 48.4 Ų | 48.4 | 16% | 0.163 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66 | -37.7 | -175.1 | -171.3 | -98.6 | 0 | 0 | 0 | 113 | R119 I124 H125 H208 H210 H222 Q313 H314 | R119-W121 PolarHBondContact O-N 2.86Å; W121-I124 WeakPolarHBondContact O-CG2 3.17Å; W121-H125 AromaticContact CD2-CE1 3.67Å; W121-H125 AromaticContact CD2-ND1 3.96Å; W121-H125 AromaticContact CE2-CE1 3.41Å; W121-H125 VanDerWaalsContact CE2-CE1 3.41Å; W121-H125 AromaticContact CE2-ND1 3.8Å; W121-H125 AromaticContact CE3-CE1 3.84Å; W121-H125 AromaticContact CH2-CE1 3.56Å; W121-H125 AromaticContact CZ2-CE1 3.35Å; W121-H125 WeakPolarHBondContact CZ2-CE1 3.44Å; W121-H125 AromaticContact CZ2-NE2 3.93Å; W121-H125 AromaticContact CZ3-CE1 3.8Å; W121-H125 PolarHBondContact O-ND1 3.4Å; W121-H208 HydrophobicContact CH2-CB 4.44Å; W121-H208 AromaticContact CH2-ND1 3.96Å; W121-H210 AromaticContact CD1-NE2 3.94Å; W121-H210 AromaticContact CD2-CD2 3.33Å; W121-H210 AromaticContact CD2-NE2 3.24Å; W121-H210 AromaticContact CE2-CD2 3.62Å; W121-H210 AromaticContact CE2-CE1 3.76Å; W121-H210 AromaticContact CE2-NE2 2.96Å; W121-H210 AromaticContact CE3-CD2 3.39Å; W121-H210 AromaticContact CE3-NE2 3.62Å; W121-H210 AromaticContact CG-CD2 3.88Å; W121-H210 AromaticContact CG-NE2 3.88Å; W121-H210 AromaticContact CH2-CD2 3.99Å; W121-H210 AromaticContact CH2-CE1 3.57Å; W121-H210 AromaticContact CH2-NE2 3.52Å; W121-H210 AromaticContact CZ2-CD2 3.96Å; W121-H210 AromaticContact CZ2-CE1 3.43Å; W121-H210 VanDerWaalsContact CZ2-CE1 3.43Å; W121-H210 WeakPolarHBondContact CZ2-CE1 3.46Å; W121-H210 AromaticContact CZ2-NE2 3.14Å; W121-H210 WeakPolarHBondContact CZ2-NE2 3.44Å; W121-H210 AromaticContact CZ3-CD2 3.71Å; W121-H210 AromaticContact CZ3-NE2 3.74Å; W121-H210 AromaticContact NE1-NE2 3.42Å; W121-H210 PolarHBondContact NE1-NE2 2.7Å; W121-H222 AromaticContact CZ3-CE1 3.91Å; W121-H222 AromaticContact CZ3-NE2 3.82Å; W121-Q313 VanDerWaalsContact CE2-NE2 3.34Å; W121-Q313 HydrophobicContact CZ2-CG 4.37Å; W121-H314 AromaticContact CZ2-CE1 3.87Å |
| 122 | S | 92 | Very high | 90.8 | Very high | 58 Ų | 58 | 42.4 Ų | 42.4 | 41% | 0.406 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -70.2 | -45.3 | 173.1 | 50.1 | 0 | 0 | 0 | 0 | 111.2 | R119 Y120 I124 H125 E126 | R119-S122 PolarHBondContact O-OG 3.46Å; Y120-S122 PolarHBondContact O-N 2.84Å; S122-I124 VanDerWaalsContact C-N 3.33Å; S122-I124 PolarHBondContact O-N 3.3Å; S122-H125 PolarHBondContact O-N 2.8Å; S122-E126 WeakPolarHBondContact O-CG 3.33Å; S122-E126 PolarHBondContact O-N 2.92Å |
| 123 | W | 92.9 | Very high | 90.7 | Very high | 3 Ų | 3 | 45.3 Ų | 45.3 | 1% | 0.011 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.3 | -38.1 | -175.6 | 173.9 | 88.6 | 0 | 0 | 0 | 113.5 | V99 V103 V109 I113 L116 R119 Y120 E126 F223 K231 | V99-W123 HydrophobicContact CG1-CB 3.88Å; V99-W123 HydrophobicContact CG1-CG 4.05Å; V99-W123 VanDerWaalsContact O-CD1 3.29Å; V103-W123 HydrophobicContact CB-CZ2 3.9Å; V103-W123 HydrophobicContact CG1-CZ2 4.16Å; V103-W123 HydrophobicContact CG2-CD2 4.34Å; V103-W123 HydrophobicContact CG2-CH2 4.35Å; V103-W123 HydrophobicContact CG2-CZ2 3.6Å; V109-W123 HydrophobicContact CG1-CH2 3.78Å; V109-W123 HydrophobicContact CG1-CZ2 4.4Å; I113-W123 HydrophobicContact CD1-CE3 4.37Å; I113-W123 HydrophobicContact CD1-CH2 3.87Å; I113-W123 HydrophobicContact CD1-CZ3 3.55Å; L116-W123 HydrophobicContact CD1-CB 4.31Å; L116-W123 HydrophobicContact CD1-CD2 3.64Å; L116-W123 HydrophobicContact CD1-CE3 3.52Å; L116-W123 HydrophobicContact CD1-CG 3.98Å; L116-W123 HydrophobicContact CD1-CZ3 4.11Å; L116-W123 HydrophobicContact CD2-CB 4.48Å; L116-W123 HydrophobicContact CD2-CG 4.26Å; R119-W123 VanDerWaalsContact O-CB 3.23Å; R119-W123 WeakPolarHBondContact O-CB 3.48Å; R119-W123 PolarHBondContact O-N 2.93Å; Y120-W123 PolarHBondContact O-N 3.39Å; W123-E126 PolarHBondContact O-N 2.84Å; W123-F223 AromaticContact CH2-CE2 3.9Å; W123-F223 HydrophobicContact CH2-CE2 3.9Å; W123-F223 HydrophobicContact CH2-CZ 4.36Å; W123-F223 HydrophobicContact CZ3-CD2 4.1Å; W123-F223 AromaticContact CZ3-CE2 3.72Å; W123-F223 HydrophobicContact CZ3-CE2 3.72Å; W123-K231 HydrophobicContact CH2-CD 4.25Å; W123-K231 HydrophobicContact CH2-CG 4Å; W123-K231 HydrophobicContact CZ2-CD 4.24Å; W123-K231 HydrophobicContact CZ2-CG 4.37Å; W123-K231 HydrophobicContact CZ3-CD 4.45Å; W123-K231 HydrophobicContact CZ3-CG 4.32Å; W123-K231 PolarHBondContact O-NZ 3.14Å; W123-K231 VanDerWaalsContact O-NZ 3.15Å |
| 124 | I | 93.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -74.8 | -27.7 | -175 | -162.3 | 170.2 | 0 | 0 | 0 | 113.4 | Y120 W121 S122 E126 F223 G227 H230 K231 | Y120-I124 HydrophobicContact CE1-CD1 4.13Å; Y120-I124 HydrophobicContact CE2-CD1 3.76Å; Y120-I124 VanDerWaalsContact CZ-CD1 3.44Å; Y120-I124 WeakPolarHBondContact O-CB 3.24Å; Y120-I124 VanDerWaalsContact O-CG2 3.3Å; Y120-I124 WeakPolarHBondContact O-CG2 3.31Å; Y120-I124 PolarHBondContact O-N 3.38Å; Y120-I124 WeakPolarHBondContact OH-CD1 3.46Å; W121-I124 WeakPolarHBondContact O-CG2 3.17Å; S122-I124 VanDerWaalsContact C-N 3.33Å; S122-I124 PolarHBondContact O-N 3.3Å; I124-E126 VanDerWaalsContact C-N 3.3Å; I124-F223 HydrophobicContact CD1-CD2 3.89Å; I124-F223 HydrophobicContact CG1-CD2 4.31Å; I124-G227 WeakPolarHBondContact CG1-O 3.39Å; I124-H230 CarbonylContact O-C 3.55Å; I124-K231 HydrophobicContact CG1-CB 4.37Å; I124-K231 WeakPolarHBondContact O-CA 3.35Å; I124-K231 PolarHBondContact O-N 3.49Å |
| 125 | H | 90.9 | Very high | 90.8 | Very high | 14 Ų | 14 | 47.2 Ų | 47.2 | 7% | 0.065 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | 23.2 | 176.1 | -59.3 | 97.6 | 0 | 0 | 0 | 112.3 | W121 S122 P127 H208 H230 Q313 | W121-H125 AromaticContact CD2-CE1 3.67Å; W121-H125 AromaticContact CD2-ND1 3.96Å; W121-H125 AromaticContact CE2-CE1 3.41Å; W121-H125 VanDerWaalsContact CE2-CE1 3.41Å; W121-H125 AromaticContact CE2-ND1 3.8Å; W121-H125 AromaticContact CE3-CE1 3.84Å; W121-H125 AromaticContact CH2-CE1 3.56Å; W121-H125 AromaticContact CZ2-CE1 3.35Å; W121-H125 WeakPolarHBondContact CZ2-CE1 3.44Å; W121-H125 AromaticContact CZ2-NE2 3.93Å; W121-H125 AromaticContact CZ3-CE1 3.8Å; W121-H125 PolarHBondContact O-ND1 3.4Å; S122-H125 PolarHBondContact O-N 2.8Å; H125-P127 VanDerWaalsContact O-CD 3.31Å; H125-P127 WeakPolarHBondContact O-CD 3.34Å; H125-H208 AromaticContact NE2-CE1 3.79Å; H125-H208 AromaticContact NE2-ND1 3.88Å; H125-H230 AromaticContact CD2-CG 3.74Å; H125-H230 AromaticContact CD2-ND1 3.44Å; H125-H230 PolarHBondContact CD2-ND1 3.42Å; H125-H230 AromaticContact NE2-ND1 3.99Å; H125-Q313 PolarHBondContact CD2-NE2 3.27Å; H125-Q313 VanDerWaalsContact CD2-NE2 3.29Å; H125-Q313 PolarHBondContact CD2-OE1 3.49Å; H125-Q313 VanDerWaalsContact CD2-OE1 3.22Å; H125-Q313 PolarHBondContact CE1-NE2 3.43Å; H125-Q313 PolarHBondContact ND1-NE2 3.43Å; H125-Q313 PolarHBondContact NE2-NE2 3.16Å |
| 126 | E | 88.6 | Confident | 90.7 | Very high | 29 Ų | 29 | 48.2 Ų | 48.2 | 14% | 0.136 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -107.1 | 88.3 | 164.3 | -73.9 | -169.7 | -161.1 | 0 | 0 | 108.2 | R76 S97 V99 S122 W123 I124 K231 | R76-E126 IonicContact CZ-OE2 2.72Å; R76-E126 IonicContact NE-OE2 3.46Å; S97-E126 PolarHBondContact OG-OE2 2.84Å; V99-E126 VanDerWaalsContact CB-OE2 3.24Å; V99-E126 WeakPolarHBondContact CB-OE2 3.28Å; V99-E126 HydrophobicContact CG1-CG 4.49Å; V99-E126 WeakPolarHBondContact CG1-OE2 3.25Å; S122-E126 WeakPolarHBondContact O-CG 3.33Å; S122-E126 PolarHBondContact O-N 2.92Å; W123-E126 PolarHBondContact O-N 2.84Å; I124-E126 VanDerWaalsContact C-N 3.3Å; E126-K231 WeakPolarHBondContact O-CD 3.17Å; E126-K231 PolarHBondContact O-NZ 3.46Å |
| 127 | P | 88.6 | Confident | 90.7 | Very high | 4 Ų | 4 | 50.9 Ų | 50.9 | 3% | 0.026 | 26% | 0.256 | C | S | . | . | trans | -63.4 | 146.3 | -172.2 | -24.5 | 35.4 | 0 | 0 | 0 | 112.7 | H125 K231 P233 F310 | H125-P127 VanDerWaalsContact O-CD 3.31Å; H125-P127 WeakPolarHBondContact O-CD 3.34Å; P127-K231 CarbonylContact C-O 3.37Å; P127-K231 WeakPolarHBondContact CA-O 3.33Å; P127-P233 HydrophobicContact CB-CG 3.96Å; P127-F310 HydrophobicContact CB-CD1 4.21Å; P127-F310 HydrophobicContact CB-CE1 3.64Å; P127-F310 HydrophobicContact CG-CD1 3.81Å; P127-F310 HydrophobicContact CG-CE1 3.69Å | ||
| 128 | V | 86 | Confident | 90.6 | Very high | 27 Ų | 27 | 49.3 Ų | 49.3 | 16% | 0.164 | 26% | 0.261 | C | S | . | . | trans | -125.7 | 154.3 | 169.8 | -58.1 | 0 | 0 | 0 | 0 | 109.4 | K231 T232 | V128-K231 WeakPolarHBondContact CG2-O 3.39Å; V128-K231 PolarHBondContact N-O 3.47Å; V128-T232 HydrophobicContact CG2-CG2 3.89Å | ||
| 129 | C | 79.1 | Confident | 90.6 | Very high | 36 Ų | 36 | 45.6 Ų | 45.6 | 24% | 0.243 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -86.8 | -12.5 | -179.5 | -64.8 | 0 | 0 | 0 | 0 | 113.4 | ||
| 130 | D | 78.5 | Confident | 90.5 | Very high | 122 Ų | 122 | 48 Ų | 48 | 65% | 0.652 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -82 | 147.9 | -177.9 | -63 | -44.2 | 0 | 0 | 0 | 112.5 | T232 | D130-T232 WeakPolarHBondContact O-CG2 3.4Š|
| 131 | S | 86 | Confident | 90.5 | Very high | 59 Ų | 59 | 48.7 Ų | 48.7 | 41% | 0.413 | 26% | 0.264 | S | S | . | . | P | Polyproline II helix | trans | -75.4 | 128.3 | 167.8 | 150.7 | 0 | 0 | 0 | 0 | 109.8 | R145 D235 R238 | S131-R145 PolarHBondContact OG-NH2 3.18Å; S131-D235 VanDerWaalsContact CB-OD2 3.23Å; S131-D235 WeakPolarHBondContact CB-OD2 3.49Å; S131-D235 PolarHBondContact OG-OD2 3.22Å; S131-R238 PolarHBondContact OG-NH1 2.93Å; S131-R238 VanDerWaalsContact OG-NH1 3.08Å |
| 132 | L | 91.7 | Very high | 90.4 | Very high | 6 Ų | 6 | 50.6 Ų | 50.6 | 3% | 0.031 | 28% | 0.284 | C | S | . | . | P | Polyproline II helix | trans | -86.6 | 147.4 | 175.9 | -63.5 | 172.9 | 0 | 0 | 0 | 112 | T105 V109 F223 K231 T232 R238 | T105-L132 HydrophobicContact CG2-CD2 3.7Å; V109-L132 HydrophobicContact CG2-CB 4.07Å; V109-L132 HydrophobicContact CG2-CD1 4.28Å; V109-L132 HydrophobicContact CG2-CD2 4.23Å; V109-L132 HydrophobicContact CG2-CG 4.42Å; L132-F223 HydrophobicContact CD1-CZ 4.41Å; L132-K231 HydrophobicContact CD1-CG 3.79Å; L132-T232 HydrophobicContact CB-CG2 4.49Å; L132-T232 HydrophobicContact CD1-CG2 3.72Å; L132-T232 HydrophobicContact CG-CG2 3.69Å; L132-R238 PolarHBondContact O-NH1 3.23Å; L132-R238 PolarHBondContact O-NH2 3.47Å |
| 133 | R | 92.8 | Very high | 90.4 | Very high | 100 Ų | 100 | 53.7 Ų | 53.7 | 38% | 0.377 | 30% | 0.295 | S | S | . | . | P | Polyproline II helix | trans | -79.5 | 127.4 | 166.3 | -171.3 | 177 | -175 | 119.9 | -2.1 | 109.1 | P108 V109 F135 H136 E141 | P108-R133 WeakPolarHBondContact CA-O 3.19Å; P108-R133 HydrophobicContact CG-CG 4.32Å; V109-R133 PolarHBondContact N-O 3.01Å; R133-F135 PolarHBondContact NE-O 2.81Å; R133-H136 PolarHBondContact NH2-O 2.87Å; R133-E141 WeakPolarHBondContact CA-OE1 3.36Å |
| 134 | L | 93.9 | Very high | 90.3 | Very high | 4 Ų | 4 | 54.5 Ų | 54.5 | 2% | 0.021 | 30% | 0.301 | C | S | . | . | trans | -95.9 | -41.6 | -176.1 | -56.6 | -174.5 | 0 | 0 | 0 | 112.4 | P108 V110 E141 F223 L228 | P108-L134 WeakPolarHBondContact CB-O 3.46Å; V110-L134 WeakPolarHBondContact CB-O 3.28Å; V110-L134 HydrophobicContact CG2-CB 3.98Å; V110-L134 WeakPolarHBondContact CG2-O 3.45Å; L134-E141 PolarHBondContact N-OE1 2.81Å; L134-E141 PolarHBondContact N-OE2 2.8Å; L134-F223 HydrophobicContact CD2-CE1 3.82Å; L134-F223 HydrophobicContact CD2-CZ 4.26Å; L134-L228 HydrophobicContact CD1-CD2 3.54Å; L134-L228 HydrophobicContact CD2-CD1 3.81Å; L134-L228 HydrophobicContact CD2-CD2 3.94Å; L134-L228 HydrophobicContact CG-CD2 4.34Å | ||
| 135 | F | 94.7 | Very high | 90.4 | Very high | 52 Ų | 52 | 58.5 Ų | 58.5 | 23% | 0.228 | 32% | 0.316 | C | S | . | . | trans | -128 | 153.7 | -172.8 | -55.9 | -74.1 | 0 | 0 | 0 | 112.3 | P108 V110 R133 W140 E141 I224 | P108-F135 VanDerWaalsContact CG-C 3.49Å; V110-F135 HydrophobicContact CB-CE1 4.39Å; V110-F135 HydrophobicContact CG1-CE1 4.27Å; V110-F135 HydrophobicContact CG2-CE1 4.1Å; V110-F135 HydrophobicContact CG2-CZ 4.3Å; R133-F135 PolarHBondContact NE-O 2.81Å; F135-W140 HydrophobicContact CB-CB 3.78Å; F135-W140 HydrophobicContact CD1-CB 4.37Å; F135-W140 HydrophobicContact CD2-CB 3.73Å; F135-W140 HydrophobicContact CE2-CB 4.42Å; F135-W140 HydrophobicContact CG-CB 3.7Å; F135-E141 PolarHBondContact N-OE2 3.1Å; F135-I224 HydrophobicContact CZ-CD1 4.13Å | ||
| 136 | H | 92.2 | Very high | 90.6 | Very high | 93 Ų | 93 | 58.5 Ų | 58.5 | 43% | 0.431 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -66.1 | -44.3 | 171.1 | -71.6 | -80 | 0 | 0 | 0 | 111.1 | P108 E111 R133 S138 | P108-H136 HydrophobicContact CG-CB 4.32Å; E111-H136 VanDerWaalsContact CD-CD2 3.47Å; E111-H136 VanDerWaalsContact CD-NE2 3.32Å; E111-H136 IonicContact OE1-CD2 3.05Å; E111-H136 PolarHBondContact OE1-CD2 3.49Å; E111-H136 IonicContact OE1-NE2 3.37Å; E111-H136 PolarHBondContact OE1-NE2 2.9Å; E111-H136 IonicContact OE2-CD2 3.38Å; E111-H136 PolarHBondContact OE2-CD2 3.18Å; E111-H136 IonicContact OE2-CE1 3.93Å; E111-H136 IonicContact OE2-NE2 2.74Å; E111-H136 PolarHBondContact OE2-NE2 3.15Å; R133-H136 PolarHBondContact NH2-O 2.87Å; H136-S138 PolarHBondContact O-N 3.42Å |
| 137 | S | 94 | Very high | 91 | Very high | 57 Ų | 57 | 61.5 Ų | 61.5 | 40% | 0.399 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -68.9 | 123.6 | -179.5 | 175.2 | 0 | 0 | 0 | 0 | 111.4 | G139 W140 E141 | S137-G139 PolarHBondContact O-N 2.82Å; S137-G139 PolarHBondContact OG-N 2.97Å; S137-W140 PolarHBondContact O-N 3.32Å; S137-E141 WeakPolarHBondContact O-CB 3.49Å; S137-E141 PolarHBondContact O-N 2.95Å |
| 138 | S | 92.8 | Very high | 91.4 | Very high | 91 Ų | 91 | 66.8 Ų | 66.8 | 64% | 0.636 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -58.1 | -27.9 | 171.9 | -53 | 0 | 0 | 0 | 0 | 112.6 | H136 S142 | H136-S138 PolarHBondContact O-N 3.42Å; S138-S142 WeakPolarHBondContact O-CB 3.35Å; S138-S142 PolarHBondContact O-N 3.26Å |
| 139 | G | 93.3 | Very high | 91.9 | Very high | 41 Ų | 41 | 71.4 Ų | 71.4 | 42% | 0.423 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -68.4 | -50.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | S137 E141 S142 L143 | S137-G139 PolarHBondContact O-N 2.82Å; S137-G139 PolarHBondContact OG-N 2.97Å; G139-E141 VanDerWaalsContact C-N 3.3Å; G139-E141 PolarHBondContact O-N 3.04Å; G139-S142 WeakPolarHBondContact O-CB 3.48Å; G139-S142 PolarHBondContact O-N 3.03Å; G139-L143 WeakPolarHBondContact O-CG 3.48Å; G139-L143 PolarHBondContact O-N 2.8Å |
| 140 | W | 91.5 | Very high | 92.8 | Very high | 164 Ų | 164 | 70.9 Ų | 70.9 | 62% | 0.621 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -65.3 | -35.8 | 175.7 | -70.2 | 121.9 | 0 | 0 | 0 | 112 | F135 S137 L143 S144 | F135-W140 HydrophobicContact CB-CB 3.78Å; F135-W140 HydrophobicContact CD1-CB 4.37Å; F135-W140 HydrophobicContact CD2-CB 3.73Å; F135-W140 HydrophobicContact CE2-CB 4.42Å; F135-W140 HydrophobicContact CG-CB 3.7Å; S137-W140 PolarHBondContact O-N 3.32Å; W140-L143 HydrophobicContact CE3-CD1 3.87Å; W140-L143 HydrophobicContact CZ3-CD1 3.99Å; W140-L143 PolarHBondContact O-N 2.9Å; W140-S144 PolarHBondContact O-N 3.23Å |
| 141 | E | 93.1 | Very high | 93.8 | Very high | 20 Ų | 20 | 65 Ų | 65 | 9% | 0.093 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -61.5 | -43.9 | 173.3 | -169 | 70.1 | -172.3 | 0 | 0 | 111.4 | R133 L134 F135 S137 G139 S144 R145 R238 | R133-E141 WeakPolarHBondContact CA-OE1 3.36Å; L134-E141 PolarHBondContact N-OE1 2.81Å; L134-E141 PolarHBondContact N-OE2 2.8Å; F135-E141 PolarHBondContact N-OE2 3.1Å; S137-E141 WeakPolarHBondContact O-CB 3.49Å; S137-E141 PolarHBondContact O-N 2.95Å; G139-E141 VanDerWaalsContact C-N 3.3Å; G139-E141 PolarHBondContact O-N 3.04Å; E141-S144 WeakPolarHBondContact O-CB 3.26Å; E141-S144 PolarHBondContact O-N 3.23Å; E141-S144 PolarHBondContact O-OG 2.96Å; E141-R145 IonicContact OE1-NH2 3.85Å; E141-R238 VanDerWaalsContact CD-NH2 3.29Å; E141-R238 IonicContact OE1-CZ 3.78Å; E141-R238 IonicContact OE1-NH2 3.85Å; E141-R238 PolarHBondContact OE1-NH2 2.93Å; E141-R238 IonicContact OE2-NH2 3.62Å |
| 142 | S | 92.2 | Very high | 94.4 | Very high | 83 Ų | 83 | 63.7 Ų | 63.7 | 58% | 0.58 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -62.4 | -44.9 | 175.6 | -172.4 | 0 | 0 | 0 | 0 | 112 | S138 G139 S144 R145 | S138-S142 WeakPolarHBondContact O-CB 3.35Å; S138-S142 PolarHBondContact O-N 3.26Å; G139-S142 WeakPolarHBondContact O-CB 3.48Å; G139-S142 PolarHBondContact O-N 3.03Å; S142-S144 PolarHBondContact O-N 2.63Å; S142-R145 PolarHBondContact O-N 2.78Å |
| 143 | L | 91.1 | Very high | 94.7 | Very high | 122 Ų | 122 | 67.2 Ų | 67.2 | 64% | 0.639 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -65.2 | -22.3 | 177 | -69.6 | 173.9 | 0 | 0 | 0 | 113.6 | G139 W140 R145 | G139-L143 WeakPolarHBondContact O-CG 3.48Å; G139-L143 PolarHBondContact O-N 2.8Å; W140-L143 HydrophobicContact CE3-CD1 3.87Å; W140-L143 HydrophobicContact CZ3-CD1 3.99Å; W140-L143 PolarHBondContact O-N 2.9Å; L143-R145 PolarHBondContact O-N 3.38Å |
| 144 | S | 92.3 | Very high | 94.9 | Very high | 20 Ų | 20 | 65.5 Ų | 65.5 | 14% | 0.14 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -11.6 | 174.5 | 79.9 | 0 | 0 | 0 | 0 | 114 | W140 E141 S142 R238 | W140-S144 PolarHBondContact O-N 3.23Å; E141-S144 WeakPolarHBondContact O-CB 3.26Å; E141-S144 PolarHBondContact O-N 3.23Å; E141-S144 PolarHBondContact O-OG 2.96Å; S142-S144 PolarHBondContact O-N 2.63Å; S144-R238 WeakPolarHBondContact O-CG 3.17Å; S144-R238 PolarHBondContact OG-NE 3.46Å; S144-R238 PolarHBondContact OG-NH2 2.89Å; S144-R238 VanDerWaalsContact OG-NH2 3.07Å |
| 145 | R | 94.2 | Very high | 95.1 | Very high | 85 Ų | 85 | 65.8 Ų | 65.8 | 32% | 0.321 | 35% | 0.348 | S | S | . | . | trans | -102.3 | 111.9 | -176.4 | -69.8 | -176.3 | 179.4 | -78.3 | -7.2 | 110.1 | S131 E141 S142 L143 D235 D237 R238 | S131-R145 PolarHBondContact OG-NH2 3.18Å; E141-R145 IonicContact OE1-NH2 3.85Å; S142-R145 PolarHBondContact O-N 2.78Å; L143-R145 PolarHBondContact O-N 3.38Å; R145-D235 IonicContact NH1-OD1 3.78Å; R145-D237 CarbonylContact C-O 3.52Å; R145-D237 WeakPolarHBondContact CA-O 3.45Å; R145-D237 HydrophobicContact CB-CB 3.84Å; R145-D237 HydrophobicContact CG-CB 3.91Å; R145-D237 IonicContact NH1-OD2 3.94Å; R145-R238 VanDerWaalsContact NH2-NH1 3.15Å | ||
| 146 | T | 96.1 | Very high | 95.3 | Very high | 14 Ų | 14 | 65.8 Ų | 65.8 | 9% | 0.086 | 35% | 0.349 | C | S | . | . | trans | -115.6 | 118.4 | 178 | -56.5 | 0 | 0 | 0 | 0 | 110.1 | A150 D237 V240 | T146-A150 HydrophobicContact CG2-CB 3.84Å; T146-D237 PolarHBondContact N-O 3.16Å; T146-D237 CarbonylContact O-C 3.41Å; T146-V240 HydrophobicContact CG2-CG2 3.64Å; T146-V240 WeakPolarHBondContact O-CG2 3.48Å | ||
| 147 | K | 96.4 | Very high | 95.6 | Very high | 91 Ų | 91 | 64.5 Ų | 64.5 | 40% | 0.396 | 35% | 0.349 | S | S | . | . | trans | -70.8 | 145.4 | 173.9 | -59.1 | -61.8 | -179.9 | -172.2 | 0 | 110.3 | Y149 A150 D237 | K147-Y149 VanDerWaalsContact C-N 3.26Å; K147-Y149 HydrophobicContact CB-CD1 3.94Å; K147-Y149 HydrophobicContact CB-CD2 4.49Å; K147-Y149 HydrophobicContact CB-CE1 3.5Å; K147-Y149 VanDerWaalsContact CB-CE1 3.5Å; K147-Y149 HydrophobicContact CB-CE2 4.09Å; K147-Y149 HydrophobicContact CB-CG 4.41Å; K147-Y149 HydrophobicContact CG-CE1 3.94Å; K147-Y149 PolarHBondContact O-N 3.22Å; K147-Y149 VanDerWaalsContact O-N 3.17Å; K147-A150 WeakPolarHBondContact O-CB 3.38Å; K147-A150 PolarHBondContact O-N 3.29Å; K147-D237 VanDerWaalsContact CD-OD1 3.28Å; K147-D237 WeakPolarHBondContact CD-OD1 3.46Å; K147-D237 WeakPolarHBondContact CE-OD1 3.19Å; K147-D237 IonicContact NZ-OD1 2.65Å; K147-D237 PolarHBondContact NZ-OD1 3.23Å; K147-D237 IonicContact NZ-OD2 3.97Å; K147-D237 PolarHBondContact NZ-OD2 3.24Å | ||
| 148 | W | 97.4 | Very high | 95.8 | Very high | 116 Ų | 116 | 64.8 Ų | 64.8 | 44% | 0.439 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | -41.7 | -178.2 | 70.3 | -93.6 | 0 | 0 | 0 | 113.4 | A150 V151 P152 V240 M282 Y285 | W148-A150 PolarHBondContact O-N 3.19Å; W148-V151 PolarHBondContact O-N 2.94Å; W148-P152 WeakPolarHBondContact O-CD 3.39Å; W148-V240 HydrophobicContact CB-CG1 4.48Å; W148-M282 HydrophobicContact CE3-SD 3.82Å; W148-M282 HydrophobicContact CZ3-SD 4.3Å; W148-M282 WeakPolarHBondContact O-CE 3.24Å; W148-Y285 HydrophobicContact CB-CD1 3.64Å; W148-Y285 HydrophobicContact CB-CD2 3.73Å; W148-Y285 HydrophobicContact CB-CE1 3.58Å; W148-Y285 HydrophobicContact CB-CE2 3.68Å; W148-Y285 HydrophobicContact CB-CG 3.71Å; W148-Y285 AromaticContact CD1-CE1 3.67Å; W148-Y285 AromaticContact CD1-CZ 3.7Å; W148-Y285 HydrophobicContact CD2-CE1 4.47Å; W148-Y285 HydrophobicContact CG-CD1 4.01Å; W148-Y285 AromaticContact CG-CE1 3.63Å; W148-Y285 HydrophobicContact CG-CE1 3.63Å; W148-Y285 HydrophobicContact CG-CE2 4.44Å; W148-Y285 AromaticContact CG-CZ 3.87Å |
| 149 | Y | 97.4 | Very high | 96.1 | Very high | 123 Ų | 123 | 60.7 Ų | 60.7 | 48% | 0.482 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -16 | -177.6 | 58.5 | -103.8 | 0 | 0 | 0 | 113.2 | K147 V151 P152 S153 | K147-Y149 VanDerWaalsContact C-N 3.26Å; K147-Y149 HydrophobicContact CB-CD1 3.94Å; K147-Y149 HydrophobicContact CB-CD2 4.49Å; K147-Y149 HydrophobicContact CB-CE1 3.5Å; K147-Y149 VanDerWaalsContact CB-CE1 3.5Å; K147-Y149 HydrophobicContact CB-CE2 4.09Å; K147-Y149 HydrophobicContact CB-CG 4.41Å; K147-Y149 HydrophobicContact CG-CE1 3.94Å; K147-Y149 PolarHBondContact O-N 3.22Å; K147-Y149 VanDerWaalsContact O-N 3.17Å; Y149-V151 PolarHBondContact O-N 2.84Å; Y149-P152 VanDerWaalsContact O-CD 3.29Å; Y149-P152 WeakPolarHBondContact O-CD 3.39Å; Y149-P152 WeakPolarHBondContact O-CG 3.41Å; Y149-S153 VanDerWaalsContact O-CB 3.25Å; Y149-S153 WeakPolarHBondContact O-CB 3.5Å; Y149-S153 PolarHBondContact O-N 3.36Å; Y149-S153 PolarHBondContact O-OG 3.17Å |
| 150 | A | 97.7 | Very high | 96.4 | Very high | 25 Ų | 25 | 63.6 Ų | 63.6 | 21% | 0.207 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -60.4 | -35.5 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | T146 K147 W148 V154 P243 | T146-A150 HydrophobicContact CG2-CB 3.84Å; K147-A150 WeakPolarHBondContact O-CB 3.38Å; K147-A150 PolarHBondContact O-N 3.29Å; W148-A150 PolarHBondContact O-N 3.19Å; A150-V154 WeakPolarHBondContact O-CB 3.42Å; A150-V154 VanDerWaalsContact O-CG2 3.29Å; A150-V154 WeakPolarHBondContact O-CG2 3.44Å; A150-V154 PolarHBondContact O-N 3.44Å; A150-P243 HydrophobicContact CB-CG 4.32Å |
| 151 | V | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.6 | -62 | 178.9 | 179.1 | 0 | 0 | 0 | 0 | 111.1 | W148 Y149 S153 V154 W155 V240 Y277 V278 D281 M282 | W148-V151 PolarHBondContact O-N 2.94Å; Y149-V151 PolarHBondContact O-N 2.84Å; V151-S153 VanDerWaalsContact C-N 3.31Å; V151-S153 PolarHBondContact O-N 3.5Å; V151-V154 PolarHBondContact O-N 3.4Å; V151-W155 WeakPolarHBondContact O-CB 3.49Å; V151-W155 PolarHBondContact O-N 3.25Å; V151-V240 HydrophobicContact CG2-CB 3.8Å; V151-V240 HydrophobicContact CG2-CG1 4.3Å; V151-V240 HydrophobicContact CG2-CG2 4.13Å; V151-Y277 HydrophobicContact CG1-CE1 4.03Å; V151-V278 HydrophobicContact CG1-CG2 4.34Å; V151-D281 HydrophobicContact CG1-CB 4.09Å; V151-D281 WeakPolarHBondContact CG2-OD2 3.18Å; V151-M282 HydrophobicContact CB-CE 3.79Å; V151-M282 HydrophobicContact CG1-CE 4.17Å; V151-M282 HydrophobicContact CG2-CE 4.22Å |
| 152 | P | 98.4 | Very high | 97 | Very high | 31 Ų | 31 | 62.3 Ų | 62.3 | 20% | 0.201 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63.7 | -35.4 | 179.1 | 24.8 | -34.4 | 0 | 0 | 0 | 112.4 | W148 Y149 V154 M156 V278 M282 | W148-P152 WeakPolarHBondContact O-CD 3.39Å; Y149-P152 VanDerWaalsContact O-CD 3.29Å; Y149-P152 WeakPolarHBondContact O-CD 3.39Å; Y149-P152 WeakPolarHBondContact O-CG 3.41Å; P152-V154 VanDerWaalsContact C-N 3.33Å; P152-V154 PolarHBondContact O-N 3.34Å; P152-M156 HydrophobicContact CB-CG 3.98Å; P152-M156 WeakPolarHBondContact O-CB 3.19Å; P152-M156 WeakPolarHBondContact O-CG 3.39Å; P152-M156 PolarHBondContact O-N 3.4Å; P152-V278 HydrophobicContact CB-CG1 4.16Å; P152-M282 HydrophobicContact CG-SD 3.93Å |
| 153 | S | 98.2 | Very high | 97.3 | Very high | 80 Ų | 80 | 59.8 Ų | 59.8 | 56% | 0.559 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -62.7 | -36.2 | 179.1 | -67.4 | 0 | 0 | 0 | 0 | 113.5 | Y149 V151 P157 | Y149-S153 VanDerWaalsContact O-CB 3.25Å; Y149-S153 WeakPolarHBondContact O-CB 3.5Å; Y149-S153 PolarHBondContact O-N 3.36Å; Y149-S153 PolarHBondContact O-OG 3.17Å; V151-S153 VanDerWaalsContact C-N 3.31Å; V151-S153 PolarHBondContact O-N 3.5Å; S153-P157 WeakPolarHBondContact O-CD 3.3Å; S153-P157 WeakPolarHBondContact O-CG 3.24Å |
| 154 | V | 98 | Very high | 97.6 | Very high | 63 Ų | 63 | 57.8 Ų | 57.8 | 38% | 0.382 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -82.1 | -47.1 | 177.5 | 172.9 | 0 | 0 | 0 | 0 | 111 | A150 V151 P152 P243 | A150-V154 WeakPolarHBondContact O-CB 3.42Å; A150-V154 VanDerWaalsContact O-CG2 3.29Å; A150-V154 WeakPolarHBondContact O-CG2 3.44Å; A150-V154 PolarHBondContact O-N 3.44Å; V151-V154 PolarHBondContact O-N 3.4Å; P152-V154 VanDerWaalsContact C-N 3.33Å; P152-V154 PolarHBondContact O-N 3.34Å; V154-P243 HydrophobicContact CB-CB 4.24Å; V154-P243 HydrophobicContact CB-CG 4.46Å; V154-P243 HydrophobicContact CG1-CB 4.11Å; V154-P243 HydrophobicContact CG2-CB 4.1Å; V154-P243 HydrophobicContact CG2-CG 4.2Å |
| 155 | W | 98.6 | Very high | 97.9 | Very high | 10 Ų | 10 | 57.9 Ų | 57.9 | 4% | 0.038 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -89.5 | -31.3 | -166 | -59.7 | 117.2 | 0 | 0 | 0 | 113.9 | V151 I158 V159 P243 A246 V250 L274 Y277 V278 | V151-W155 WeakPolarHBondContact O-CB 3.49Å; V151-W155 PolarHBondContact O-N 3.25Å; W155-I158 HydrophobicContact CE3-CD1 3.66Å; W155-I158 HydrophobicContact CZ3-CD1 3.75Å; W155-I158 WeakPolarHBondContact O-CB 3.39Å; W155-I158 PolarHBondContact O-N 2.97Å; W155-I158 VanDerWaalsContact O-N 3.1Å; W155-V159 WeakPolarHBondContact O-CG2 3.36Å; W155-V159 PolarHBondContact O-N 2.95Å; W155-P243 HydrophobicContact CZ2-CB 4.02Å; W155-P243 WeakPolarHBondContact CZ2-O 3.31Å; W155-A246 HydrophobicContact CZ2-CB 3.85Å; W155-V250 HydrophobicContact CH2-CB 4.27Å; W155-V250 HydrophobicContact CH2-CG1 4.48Å; W155-V250 HydrophobicContact CH2-CG2 4.07Å; W155-V250 HydrophobicContact CZ2-CG2 4.44Å; W155-V250 HydrophobicContact CZ3-CB 4.28Å; W155-V250 HydrophobicContact CZ3-CG1 4Å; W155-V250 HydrophobicContact CZ3-CG2 4.2Å; W155-L274 HydrophobicContact CB-CD1 4.33Å; W155-L274 HydrophobicContact CB-CD2 4.45Å; W155-L274 HydrophobicContact CB-CG 4.38Å; W155-L274 HydrophobicContact CD2-CD1 4.06Å; W155-L274 HydrophobicContact CE3-CD1 3.88Å; W155-L274 HydrophobicContact CE3-CD2 3.98Å; W155-L274 HydrophobicContact CE3-CG 4.49Å; W155-L274 HydrophobicContact CG-CD1 4.26Å; W155-Y277 AromaticContact CD1-CE1 3.53Å; W155-Y277 HydrophobicContact CD2-CE1 4.49Å; W155-Y277 HydrophobicContact CG-CE1 4.15Å; W155-Y277 AromaticContact NE1-CE1 3.52Å; W155-V278 HydrophobicContact CB-CG2 3.52Å; W155-V278 HydrophobicContact CG-CG2 4.34Å |
| 156 | M | 98.5 | Very high | 98 | Very high | 53 Ų | 53 | 53.9 Ų | 53.9 | 26% | 0.261 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63.6 | -40.1 | 179.6 | -69 | -59.7 | -59.5 | 0 | 0 | 113.5 | P152 I158 V159 L160 F275 V278 | P152-M156 HydrophobicContact CB-CG 3.98Å; P152-M156 WeakPolarHBondContact O-CB 3.19Å; P152-M156 WeakPolarHBondContact O-CG 3.39Å; P152-M156 PolarHBondContact O-N 3.4Å; M156-I158 VanDerWaalsContact C-N 3.27Å; M156-I158 PolarHBondContact O-N 2.93Å; M156-V159 PolarHBondContact O-N 3.16Å; M156-L160 WeakPolarHBondContact O-CB 3.46Å; M156-L160 VanDerWaalsContact O-CG 3.3Å; M156-L160 WeakPolarHBondContact O-CG 3.38Å; M156-L160 PolarHBondContact O-N 3.15Å; M156-F275 HydrophobicContact CE-CD2 4.08Å; M156-F275 HydrophobicContact CE-CE2 4.11Å; M156-F275 HydrophobicContact SD-CD2 3.99Å; M156-F275 HydrophobicContact SD-CE2 4.3Å; M156-V278 HydrophobicContact CG-CG1 4.3Å; M156-V278 HydrophobicContact SD-CB 4.38Å; M156-V278 HydrophobicContact SD-CG1 3.99Å; M156-V278 HydrophobicContact SD-CG2 4.38Å |
| 157 | P | 98.6 | Very high | 98.1 | Very high | 66 Ų | 66 | 57.1 Ų | 57.1 | 43% | 0.429 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -56.7 | -40.5 | 170.8 | -27.4 | 36.4 | 0 | 0 | 0 | 112.8 | S153 L160 L161 | S153-P157 WeakPolarHBondContact O-CD 3.3Å; S153-P157 WeakPolarHBondContact O-CG 3.24Å; P157-L160 PolarHBondContact O-N 3.03Å; P157-L161 VanDerWaalsContact O-CG 3.28Å; P157-L161 WeakPolarHBondContact O-CG 3.32Å; P157-L161 PolarHBondContact O-N 3.49Å |
| 158 | I | 98.4 | Very high | 98.2 | Very high | 62 Ų | 62 | 56.6 Ų | 56.6 | 32% | 0.318 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -68.3 | -45.3 | 177.6 | -62.5 | 168.8 | 0 | 0 | 0 | 110.5 | W155 M156 L160 L161 L162 L274 | W155-I158 HydrophobicContact CE3-CD1 3.66Å; W155-I158 HydrophobicContact CZ3-CD1 3.75Å; W155-I158 WeakPolarHBondContact O-CB 3.39Å; W155-I158 PolarHBondContact O-N 2.97Å; W155-I158 VanDerWaalsContact O-N 3.1Å; M156-I158 VanDerWaalsContact C-N 3.27Å; M156-I158 PolarHBondContact O-N 2.93Å; I158-L160 VanDerWaalsContact C-N 3.27Å; I158-L160 PolarHBondContact O-N 3.46Å; I158-L161 PolarHBondContact O-N 3.28Å; I158-L162 HydrophobicContact CG2-CD1 3.87Å; I158-L162 HydrophobicContact CG2-CG 4.16Å; I158-L162 WeakPolarHBondContact O-CB 3.31Å; I158-L162 VanDerWaalsContact O-CG 3.28Å; I158-L162 WeakPolarHBondContact O-CG 3.31Å; I158-L162 PolarHBondContact O-N 3.44Å; I158-L274 HydrophobicContact CB-CD2 4.13Å; I158-L274 HydrophobicContact CG2-CD2 3.75Å |
| 159 | V | 98.7 | Very high | 98.1 | Very high | 5 Ų | 5 | 53.6 Ų | 53.6 | 3% | 0.03 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -54.7 | -45 | 173.9 | 169.4 | 0 | 0 | 0 | 0 | 110.7 | W155 M156 T163 L274 F275 | W155-V159 WeakPolarHBondContact O-CG2 3.36Å; W155-V159 PolarHBondContact O-N 2.95Å; M156-V159 PolarHBondContact O-N 3.16Å; V159-T163 WeakPolarHBondContact O-CB 3.48Å; V159-T163 PolarHBondContact O-N 2.79Å; V159-T163 PolarHBondContact O-OG1 3.34Å; V159-L274 HydrophobicContact CG2-CB 3.96Å; V159-L274 HydrophobicContact CG2-CD2 3.76Å; V159-L274 HydrophobicContact CG2-CG 3.7Å; V159-F275 HydrophobicContact CG1-CB 3.97Å; V159-F275 HydrophobicContact CG1-CD2 4.3Å; V159-F275 HydrophobicContact CG2-CB 4.27Å |
| 160 | L | 98.6 | Very high | 98.1 | Very high | 102 Ų | 102 | 47.9 Ų | 47.9 | 53% | 0.534 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -64.8 | -46.3 | 178.1 | -71.7 | 172.3 | 0 | 0 | 0 | 111.9 | M156 P157 I158 T163 V164 | M156-L160 WeakPolarHBondContact O-CB 3.46Å; M156-L160 VanDerWaalsContact O-CG 3.3Å; M156-L160 WeakPolarHBondContact O-CG 3.38Å; M156-L160 PolarHBondContact O-N 3.15Å; P157-L160 PolarHBondContact O-N 3.03Å; I158-L160 VanDerWaalsContact C-N 3.27Å; I158-L160 PolarHBondContact O-N 3.46Å; L160-T163 PolarHBondContact O-N 3.4Å; L160-V164 WeakPolarHBondContact O-CB 3.45Å; L160-V164 WeakPolarHBondContact O-CG2 3.05Å; L160-V164 PolarHBondContact O-N 3.1Å |
| 161 | L | 98.4 | Very high | 98 | Very high | 129 Ų | 129 | 50.5 Ų | 50.5 | 68% | 0.675 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -61 | -46.8 | 178 | -73 | 171.8 | 0 | 0 | 0 | 112 | P157 I158 T163 G165 | P157-L161 VanDerWaalsContact O-CG 3.28Å; P157-L161 WeakPolarHBondContact O-CG 3.32Å; P157-L161 PolarHBondContact O-N 3.49Å; I158-L161 PolarHBondContact O-N 3.28Å; L161-T163 VanDerWaalsContact C-N 3.34Å; L161-G165 PolarHBondContact O-N 2.8Å |
| 162 | L | 98.5 | Very high | 97.8 | Very high | 29 Ų | 29 | 56.8 Ų | 56.8 | 15% | 0.152 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64.4 | -40 | 177.2 | -66.5 | 177.5 | 0 | 0 | 0 | 111.5 | I158 G166 F254 L267 | I158-L162 HydrophobicContact CG2-CD1 3.87Å; I158-L162 HydrophobicContact CG2-CG 4.16Å; I158-L162 WeakPolarHBondContact O-CB 3.31Å; I158-L162 VanDerWaalsContact O-CG 3.28Å; I158-L162 WeakPolarHBondContact O-CG 3.31Å; I158-L162 PolarHBondContact O-N 3.44Å; L162-G166 PolarHBondContact O-N 3.23Å; L162-F254 HydrophobicContact CD2-CE2 3.97Å; L162-L267 HydrophobicContact CD2-CD2 3.65Å |
| 163 | T | 98.6 | Very high | 97.6 | Very high | 29 Ų | 29 | 59.7 Ų | 59.7 | 18% | 0.178 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -64.4 | -49.1 | 177.9 | -66.6 | 0 | 0 | 0 | 0 | 111.9 | V159 L160 L161 G166 W167 F184 S271 | V159-T163 WeakPolarHBondContact O-CB 3.48Å; V159-T163 PolarHBondContact O-N 2.79Å; V159-T163 PolarHBondContact O-OG1 3.34Å; L160-T163 PolarHBondContact O-N 3.4Å; L161-T163 VanDerWaalsContact C-N 3.34Å; T163-G166 PolarHBondContact O-N 3.29Å; T163-W167 WeakPolarHBondContact O-CB 3.45Å; T163-W167 PolarHBondContact O-N 3.15Å; T163-F184 HydrophobicContact CG2-CE2 3.99Å; T163-F184 HydrophobicContact CG2-CZ 3.61Å; T163-S271 WeakPolarHBondContact OG1-CB 3.47Å; T163-S271 PolarHBondContact OG1-OG 3.22Å |
| 164 | V | 98.2 | Very high | 97.4 | Very high | 81 Ų | 81 | 59.2 Ų | 59.2 | 49% | 0.491 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -67.3 | -42.9 | 179.6 | 172.4 | 0 | 0 | 0 | 0 | 110.9 | L160 W167 N168 | L160-V164 WeakPolarHBondContact O-CB 3.45Å; L160-V164 WeakPolarHBondContact O-CG2 3.05Å; L160-V164 PolarHBondContact O-N 3.1Å; V164-W167 PolarHBondContact O-N 3.01Å; V164-N168 WeakPolarHBondContact O-CB 3.29Å; V164-N168 VanDerWaalsContact O-CG 3.25Å; V164-N168 PolarHBondContact O-N 3.33Å; V164-N168 PolarHBondContact O-ND2 3.11Å |
| 165 | G | 98.1 | Very high | 97.1 | Very high | 22 Ų | 22 | 58.4 Ų | 58.4 | 23% | 0.227 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60 | -49.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L161 W167 N168 D169 | L161-G165 PolarHBondContact O-N 2.8Å; G165-W167 PolarHBondContact O-N 3.45Å; G165-N168 PolarHBondContact O-N 3.39Å; G165-D169 PolarHBondContact O-N 3.39Å |
| 166 | G | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.1 | -41.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | L162 T163 L170 | L162-G166 PolarHBondContact O-N 3.23Å; T163-G166 PolarHBondContact O-N 3.29Å; G166-L170 WeakPolarHBondContact O-CB 3.09Å; G166-L170 PolarHBondContact O-N 3.29Å |
| 167 | W | 97.5 | Very high | 96.7 | Very high | 82 Ų | 82 | 61.5 Ų | 61.5 | 31% | 0.311 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -61.1 | -48.7 | 173.7 | 174.6 | -94.7 | 0 | 0 | 0 | 112.1 | T163 V164 G165 L170 R171 T180 T181 F184 | T163-W167 WeakPolarHBondContact O-CB 3.45Å; T163-W167 PolarHBondContact O-N 3.15Å; V164-W167 PolarHBondContact O-N 3.01Å; G165-W167 PolarHBondContact O-N 3.45Å; W167-L170 PolarHBondContact O-N 3.48Å; W167-R171 HydrophobicContact CD2-CG 4.29Å; W167-R171 HydrophobicContact CG-CG 4.5Å; W167-R171 HydrophobicContact CZ2-CG 4.12Å; W167-R171 WeakPolarHBondContact O-CB 3.25Å; W167-R171 VanDerWaalsContact O-CG 3.29Å; W167-R171 WeakPolarHBondContact O-CG 3.36Å; W167-R171 PolarHBondContact O-N 2.97Å; W167-T180 HydrophobicContact CE3-CG2 4.27Å; W167-T180 HydrophobicContact CH2-CG2 4.28Å; W167-T180 HydrophobicContact CZ3-CG2 4.05Å; W167-T181 WeakPolarHBondContact CH2-OG1 3.22Å; W167-F184 HydrophobicContact CB-CD2 4.42Å; W167-F184 HydrophobicContact CB-CE2 4.39Å; W167-F184 HydrophobicContact CE3-CB 4.18Å; W167-F184 AromaticContact CE3-CD2 3.93Å; W167-F184 HydrophobicContact CE3-CD2 3.93Å; W167-F184 AromaticContact CE3-CG 3.95Å; W167-F184 HydrophobicContact CE3-CG 3.95Å; W167-F184 HydrophobicContact CZ3-CB 4.24Å; W167-F184 HydrophobicContact CZ3-CG 4.33Å |
| 168 | N | 97.3 | Very high | 96.6 | Very high | 81 Ų | 81 | 66.5 Ų | 66.5 | 43% | 0.433 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63.5 | -45 | -178.5 | -71.6 | -22.5 | 0 | 0 | 0 | 111.7 | V164 G165 R171 N172 | V164-N168 WeakPolarHBondContact O-CB 3.29Å; V164-N168 VanDerWaalsContact O-CG 3.25Å; V164-N168 PolarHBondContact O-N 3.33Å; V164-N168 PolarHBondContact O-ND2 3.11Å; G165-N168 PolarHBondContact O-N 3.39Å; N168-R171 PolarHBondContact O-N 3.05Å; N168-N172 PolarHBondContact O-N 3.21Å; N168-N172 PolarHBondContact O-ND2 3.08Å |
| 169 | D | 96.9 | Very high | 96.5 | Very high | 53 Ų | 53 | 66 Ų | 66 | 28% | 0.283 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62.8 | -43.9 | 176.9 | -74.5 | -26.9 | 0 | 0 | 0 | 111.3 | G165 R171 N172 E173 W263 | G165-D169 PolarHBondContact O-N 3.39Å; D169-R171 VanDerWaalsContact C-N 3.32Å; D169-R171 PolarHBondContact O-N 3.33Å; D169-N172 WeakPolarHBondContact O-CB 3.3Å; D169-N172 PolarHBondContact O-N 3.49Å; D169-N172 VanDerWaalsContact O-N 3.12Å; D169-E173 PolarHBondContact O-N 2.82Å; D169-W263 PolarHBondContact OD2-NE1 3.21Å |
| 170 | L | 95.7 | Very high | 96.4 | Very high | 2 Ų | 2 | 65.8 Ų | 65.8 | 1% | 0.01 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -65.7 | -31.5 | 178.1 | -166 | 64.5 | 0 | 0 | 0 | 113.1 | G166 W167 E173 T180 W183 F184 I268 | G166-L170 WeakPolarHBondContact O-CB 3.09Å; G166-L170 PolarHBondContact O-N 3.29Å; W167-L170 PolarHBondContact O-N 3.48Å; L170-E173 WeakPolarHBondContact CD1-OE2 3.27Å; L170-T180 HydrophobicContact CB-CG2 4.13Å; L170-T180 HydrophobicContact CD2-CG2 3.85Å; L170-T180 HydrophobicContact CG-CG2 3.81Å; L170-W183 HydrophobicContact CD1-CE3 4.09Å; L170-W183 HydrophobicContact CD2-CB 4.1Å; L170-F184 HydrophobicContact CD2-CB 4.07Å; L170-I268 HydrophobicContact CB-CD1 4.23Å; L170-I268 HydrophobicContact CD2-CD1 3.63Å; L170-I268 HydrophobicContact CG-CD1 4.44Å |
| 171 | R | 95.6 | Very high | 96.4 | Very high | 81 Ų | 81 | 63.2 Ų | 63.2 | 31% | 0.306 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -70.6 | -35.2 | 172.4 | -73.8 | -64.2 | -60.1 | 144.5 | 5.6 | 112 | W167 N168 D169 E173 G174 N175 T180 | W167-R171 HydrophobicContact CD2-CG 4.29Å; W167-R171 HydrophobicContact CG-CG 4.5Å; W167-R171 HydrophobicContact CZ2-CG 4.12Å; W167-R171 WeakPolarHBondContact O-CB 3.25Å; W167-R171 VanDerWaalsContact O-CG 3.29Å; W167-R171 WeakPolarHBondContact O-CG 3.36Å; W167-R171 PolarHBondContact O-N 2.97Å; N168-R171 PolarHBondContact O-N 3.05Å; D169-R171 VanDerWaalsContact C-N 3.32Å; D169-R171 PolarHBondContact O-N 3.33Å; R171-E173 PolarHBondContact O-N 3.23Å; R171-G174 PolarHBondContact O-N 2.94Å; R171-N175 PolarHBondContact NH1-O 2.82Å; R171-T180 VanDerWaalsContact CD-CG2 3.42Å; R171-T180 HydrophobicContact CG-CG2 3.89Å; R171-T180 PolarHBondContact NH1-OG1 3.25Å |
| 172 | N | 95.6 | Very high | 96.4 | Very high | 131 Ų | 131 | 59.8 Ų | 59.8 | 70% | 0.701 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -70.5 | -14.2 | 179 | -70.1 | -25 | 0 | 0 | 0 | 113.2 | N168 D169 G174 | N168-N172 PolarHBondContact O-N 3.21Å; N168-N172 PolarHBondContact O-ND2 3.08Å; D169-N172 WeakPolarHBondContact O-CB 3.3Å; D169-N172 PolarHBondContact O-N 3.49Å; D169-N172 VanDerWaalsContact O-N 3.12Å; N172-G174 PolarHBondContact O-N 3.21Å |
| 173 | E | 93.8 | Very high | 96.3 | Very high | 93 Ų | 93 | 64 Ų | 64 | 44% | 0.435 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -4.8 | 171.9 | -65.6 | 175.4 | -163.6 | 0 | 0 | 113.6 | D169 L170 R171 N175 S264 | D169-E173 PolarHBondContact O-N 2.82Å; L170-E173 WeakPolarHBondContact CD1-OE2 3.27Å; R171-E173 PolarHBondContact O-N 3.23Å; E173-N175 VanDerWaalsContact C-N 3.35Å; E173-N175 PolarHBondContact O-N 3.3Å; E173-S264 WeakPolarHBondContact OE1-CB 3.29Å; E173-S264 PolarHBondContact OE1-OG 2.94Å |
| 174 | G | 92.8 | Very high | 96.3 | Very high | 70 Ų | 70 | 63.9 Ų | 63.9 | 72% | 0.722 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84 | 5.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115 | R171 N172 | R171-G174 PolarHBondContact O-N 2.94Å; N172-G174 PolarHBondContact O-N 3.21Å |
| 175 | N | 92.1 | Very high | 96.3 | Very high | 45 Ų | 45 | 64.1 Ų | 64.1 | 24% | 0.241 | 35% | 0.35 | C | S | . | . | trans | -67 | 147.8 | 175.8 | -69.9 | -53.9 | 0 | 0 | 0 | 112.1 | R171 E173 T179 W183 | R171-N175 PolarHBondContact NH1-O 2.82Å; E173-N175 VanDerWaalsContact C-N 3.35Å; E173-N175 PolarHBondContact O-N 3.3Å; N175-T179 HydrophobicContact CB-CG2 4.35Å; N175-W183 WeakPolarHBondContact ND2-CZ3 3.37Å | ||
| 176 | G | 95 | Very high | 96.3 | Very high | 44 Ų | 44 | 67.3 Ų | 67.3 | 45% | 0.454 | 37% | 0.365 | S | S | . | . | trans | -61.7 | 152.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | F178 T179 T180 | G176-F178 VanDerWaalsContact C-N 3.27Å; G176-F178 PolarHBondContact O-N 3.35Å; G176-T179 PolarHBondContact O-N 3.04Å; G176-T180 PolarHBondContact O-N 3.04Å; G176-T180 PolarHBondContact O-OG1 3.44Å | ||
| 177 | V | 94.8 | Very high | 96.4 | Very high | 84 Ų | 84 | 68.5 Ų | 68.5 | 51% | 0.509 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -54.4 | -43.4 | -174.8 | 176.7 | 0 | 0 | 0 | 0 | 112 | T179 T180 T181 | V177-T179 PolarHBondContact O-N 3.45Å; V177-T180 PolarHBondContact O-N 3.07Å; V177-T181 WeakPolarHBondContact O-CB 3.23Å; V177-T181 PolarHBondContact O-N 3.43Å; V177-T181 PolarHBondContact O-OG1 2.96Å |
| 178 | F | 96.7 | Very high | 96.4 | Very high | 171 Ų | 171 | 66.2 Ų | 66.2 | 75% | 0.75 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -59.9 | -45.4 | 178.4 | -179 | -96.5 | 0 | 0 | 0 | 112.6 | G176 T181 T182 | G176-F178 VanDerWaalsContact C-N 3.27Å; G176-F178 PolarHBondContact O-N 3.35Å; F178-T181 PolarHBondContact O-N 3.31Å; F178-T182 WeakPolarHBondContact O-CB 3.42Å; F178-T182 PolarHBondContact O-N 3.23Å; F178-T182 PolarHBondContact O-OG1 2.89Å |
| 179 | T | 96.4 | Very high | 96.5 | Very high | 52 Ų | 52 | 66.6 Ų | 66.6 | 32% | 0.319 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -64.7 | -48 | 177.6 | -53.6 | 0 | 0 | 0 | 0 | 110.9 | N175 G176 V177 T181 T182 W183 | N175-T179 HydrophobicContact CB-CG2 4.35Å; G176-T179 PolarHBondContact O-N 3.04Å; V177-T179 PolarHBondContact O-N 3.45Å; T179-T181 VanDerWaalsContact C-N 3.34Å; T179-T181 PolarHBondContact O-N 3.35Å; T179-T182 PolarHBondContact O-N 2.98Å; T179-W183 HydrophobicContact CG2-CD2 4.19Å; T179-W183 HydrophobicContact CG2-CG 4.48Å; T179-W183 HydrophobicContact CG2-CZ2 4.1Å; T179-W183 PolarHBondContact O-N 3.06Å |
| 180 | T | 96.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -57.1 | -47.3 | 177.1 | -55.6 | 0 | 0 | 0 | 0 | 111.4 | W167 L170 R171 G176 V177 T182 W183 F184 | W167-T180 HydrophobicContact CE3-CG2 4.27Å; W167-T180 HydrophobicContact CH2-CG2 4.28Å; W167-T180 HydrophobicContact CZ3-CG2 4.05Å; L170-T180 HydrophobicContact CB-CG2 4.13Å; L170-T180 HydrophobicContact CD2-CG2 3.85Å; L170-T180 HydrophobicContact CG-CG2 3.81Å; R171-T180 VanDerWaalsContact CD-CG2 3.42Å; R171-T180 HydrophobicContact CG-CG2 3.89Å; R171-T180 PolarHBondContact NH1-OG1 3.25Å; G176-T180 PolarHBondContact O-N 3.04Å; G176-T180 PolarHBondContact O-OG1 3.44Å; V177-T180 PolarHBondContact O-N 3.07Å; T180-T182 PolarHBondContact O-N 3.14Å; T180-W183 PolarHBondContact O-N 3.35Å; T180-F184 WeakPolarHBondContact O-CB 3.28Å; T180-F184 PolarHBondContact O-N 2.82Å |
| 181 | T | 97.6 | Very high | 96.7 | Very high | 49 Ų | 49 | 66.1 Ų | 66.1 | 30% | 0.301 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61.8 | -44.3 | 178.6 | -59.8 | 0 | 0 | 0 | 0 | 111.8 | W167 V177 F178 T179 F184 L185 | W167-T181 WeakPolarHBondContact CH2-OG1 3.22Å; V177-T181 WeakPolarHBondContact O-CB 3.23Å; V177-T181 PolarHBondContact O-N 3.43Å; V177-T181 PolarHBondContact O-OG1 2.96Å; F178-T181 PolarHBondContact O-N 3.31Å; T179-T181 VanDerWaalsContact C-N 3.34Å; T179-T181 PolarHBondContact O-N 3.35Å; T181-F184 PolarHBondContact O-N 3Å; T181-L185 HydrophobicContact CG2-CD1 3.97Å; T181-L185 HydrophobicContact CG2-CG 4.38Å; T181-L185 WeakPolarHBondContact O-CB 3.41Å; T181-L185 WeakPolarHBondContact O-CG 3.17Å; T181-L185 PolarHBondContact O-N 2.59Å |
| 182 | T | 97.8 | Very high | 96.9 | Very high | 56 Ų | 56 | 64.7 Ų | 64.7 | 34% | 0.344 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -63.2 | -45.6 | 180 | -57.6 | 0 | 0 | 0 | 0 | 111.4 | F178 T179 T180 T186 | F178-T182 WeakPolarHBondContact O-CB 3.42Å; F178-T182 PolarHBondContact O-N 3.23Å; F178-T182 PolarHBondContact O-OG1 2.89Å; T179-T182 PolarHBondContact O-N 2.98Å; T180-T182 PolarHBondContact O-N 3.14Å; T182-T186 WeakPolarHBondContact O-CB 3.37Å; T182-T186 PolarHBondContact O-N 2.94Å; T182-T186 PolarHBondContact O-OG1 2.74Å |
| 183 | W | 97.2 | Very high | 97 | Very high | 118 Ų | 118 | 63.1 Ų | 63.1 | 45% | 0.447 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -64.9 | -45.7 | 177 | -73 | 9.8 | 0 | 0 | 0 | 111.5 | L170 N175 T179 T180 L185 T186 I187 | L170-W183 HydrophobicContact CD1-CE3 4.09Å; L170-W183 HydrophobicContact CD2-CB 4.1Å; N175-W183 WeakPolarHBondContact ND2-CZ3 3.37Å; T179-W183 HydrophobicContact CG2-CD2 4.19Å; T179-W183 HydrophobicContact CG2-CG 4.48Å; T179-W183 HydrophobicContact CG2-CZ2 4.1Å; T179-W183 PolarHBondContact O-N 3.06Å; T180-W183 PolarHBondContact O-N 3.35Å; W183-L185 PolarHBondContact O-N 3.42Å; W183-T186 PolarHBondContact O-N 3.48Å; W183-I187 WeakPolarHBondContact O-CB 3.19Å; W183-I187 WeakPolarHBondContact O-CD1 3.35Å; W183-I187 WeakPolarHBondContact O-CG1 3.42Å; W183-I187 PolarHBondContact O-N 3.29Å |
| 184 | F | 98.5 | Very high | 97.2 | Very high | 26 Ų | 26 | 60.6 Ų | 60.6 | 11% | 0.114 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -54.4 | -53.6 | 176.1 | 176 | -85.3 | 0 | 0 | 0 | 111.3 | T163 W167 L170 T180 T181 T186 I187 F188 I268 | T163-F184 HydrophobicContact CG2-CE2 3.99Å; T163-F184 HydrophobicContact CG2-CZ 3.61Å; W167-F184 HydrophobicContact CB-CD2 4.42Å; W167-F184 HydrophobicContact CB-CE2 4.39Å; W167-F184 HydrophobicContact CE3-CB 4.18Å; W167-F184 AromaticContact CE3-CD2 3.93Å; W167-F184 HydrophobicContact CE3-CD2 3.93Å; W167-F184 AromaticContact CE3-CG 3.95Å; W167-F184 HydrophobicContact CE3-CG 3.95Å; W167-F184 HydrophobicContact CZ3-CB 4.24Å; W167-F184 HydrophobicContact CZ3-CG 4.33Å; L170-F184 HydrophobicContact CD2-CB 4.07Å; T180-F184 WeakPolarHBondContact O-CB 3.28Å; T180-F184 PolarHBondContact O-N 2.82Å; T181-F184 PolarHBondContact O-N 3Å; F184-T186 VanDerWaalsContact C-N 3.34Å; F184-T186 PolarHBondContact O-N 3.28Å; F184-I187 PolarHBondContact O-N 3.43Å; F184-F188 HydrophobicContact CE1-CB 4.29Å; F184-F188 HydrophobicContact CE1-CG 4.45Å; F184-F188 HydrophobicContact CZ-CD2 4.22Å; F184-F188 WeakPolarHBondContact O-CB 3.14Å; F184-F188 PolarHBondContact O-N 3.01Å; F184-I268 HydrophobicContact CD2-CB 4.5Å; F184-I268 HydrophobicContact CD2-CD1 3.71Å; F184-I268 HydrophobicContact CD2-CG1 3.81Å; F184-I268 HydrophobicContact CD2-CG2 3.84Å; F184-I268 HydrophobicContact CE2-CD1 4.39Å; F184-I268 HydrophobicContact CE2-CG1 3.98Å; F184-I268 HydrophobicContact CE2-CG2 3.89Å; F184-I268 HydrophobicContact CG-CG2 4.37Å; F184-I268 HydrophobicContact CZ-CG2 4.45Å; F184-I268 WeakPolarHBondContact O-CG2 3.43Å |
| 185 | L | 98.5 | Very high | 97.5 | Very high | 86 Ų | 86 | 58.4 Ų | 58.4 | 45% | 0.45 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.3 | -41.3 | -178.6 | -69.7 | 174.9 | 0 | 0 | 0 | 111.7 | T181 W183 F188 I189 | T181-L185 HydrophobicContact CG2-CD1 3.97Å; T181-L185 HydrophobicContact CG2-CG 4.38Å; T181-L185 WeakPolarHBondContact O-CB 3.41Å; T181-L185 WeakPolarHBondContact O-CG 3.17Å; T181-L185 PolarHBondContact O-N 2.59Å; W183-L185 PolarHBondContact O-N 3.42Å; L185-F188 PolarHBondContact O-N 2.76Å; L185-I189 VanDerWaalsContact O-CB 3.28Å; L185-I189 WeakPolarHBondContact O-CB 3.23Å; L185-I189 WeakPolarHBondContact O-CD1 3.28Å; L185-I189 WeakPolarHBondContact O-CG1 3.33Å; L185-I189 PolarHBondContact O-N 3.24Å |
| 186 | T | 98.5 | Very high | 97.8 | Very high | 89 Ų | 89 | 57.2 Ų | 57.2 | 55% | 0.546 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62 | -48.3 | 178.4 | -57.7 | 0 | 0 | 0 | 0 | 111.2 | T182 W183 F184 S190 | T182-T186 WeakPolarHBondContact O-CB 3.37Å; T182-T186 PolarHBondContact O-N 2.94Å; T182-T186 PolarHBondContact O-OG1 2.74Å; W183-T186 PolarHBondContact O-N 3.48Å; F184-T186 VanDerWaalsContact C-N 3.34Å; F184-T186 PolarHBondContact O-N 3.28Å; T186-S190 WeakPolarHBondContact O-CB 3.37Å; T186-S190 PolarHBondContact O-N 3.13Å; T186-S190 PolarHBondContact O-OG 3.49Å |
| 187 | I | 98.6 | Very high | 98 | Very high | 26 Ų | 26 | 57.6 Ų | 57.6 | 13% | 0.133 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65.7 | -45.6 | 179.5 | -63.2 | 163 | 0 | 0 | 0 | 110 | W183 F184 I189 S190 G191 T265 I268 F269 | W183-I187 WeakPolarHBondContact O-CB 3.19Å; W183-I187 WeakPolarHBondContact O-CD1 3.35Å; W183-I187 WeakPolarHBondContact O-CG1 3.42Å; W183-I187 PolarHBondContact O-N 3.29Å; F184-I187 PolarHBondContact O-N 3.43Å; I187-I189 PolarHBondContact O-N 3.47Å; I187-S190 WeakPolarHBondContact CA-OG 3.22Å; I187-S190 PolarHBondContact O-N 2.71Å; I187-S190 PolarHBondContact O-OG 2.91Å; I187-G191 PolarHBondContact O-N 3.19Å; I187-T265 HydrophobicContact CD1-CG2 4.18Å; I187-T265 HydrophobicContact CG1-CG2 4.42Å; I187-T265 HydrophobicContact CG2-CG2 4.02Å; I187-I268 HydrophobicContact CB-CB 4.33Å; I187-I268 HydrophobicContact CB-CG2 3.8Å; I187-I268 HydrophobicContact CD1-CD1 4.48Å; I187-I268 HydrophobicContact CG2-CB 3.78Å; I187-I268 HydrophobicContact CG2-CG2 3.69Å; I187-F269 HydrophobicContact CG2-CB 3.81Å; I187-F269 HydrophobicContact CG2-CD2 4.49Å |
| 188 | F | 98.8 | Very high | 98.1 | Very high | 34 Ų | 34 | 55.2 Ų | 55.2 | 15% | 0.149 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.7 | -47.2 | -179.6 | -172.5 | -94.6 | 0 | 0 | 0 | 111.8 | F184 L185 S190 G191 I192 I268 S271 G272 F275 | F184-F188 HydrophobicContact CE1-CB 4.29Å; F184-F188 HydrophobicContact CE1-CG 4.45Å; F184-F188 HydrophobicContact CZ-CD2 4.22Å; F184-F188 WeakPolarHBondContact O-CB 3.14Å; F184-F188 PolarHBondContact O-N 3.01Å; L185-F188 PolarHBondContact O-N 2.76Å; F188-S190 VanDerWaalsContact C-N 3.32Å; F188-S190 PolarHBondContact O-N 3.25Å; F188-G191 PolarHBondContact O-N 3.43Å; F188-G191 VanDerWaalsContact O-N 3.15Å; F188-I192 HydrophobicContact CD1-CD1 3.88Å; F188-I192 HydrophobicContact CE1-CD1 3.6Å; F188-I192 HydrophobicContact CE1-CG1 4.36Å; F188-I192 HydrophobicContact CZ-CD1 4.49Å; F188-I192 PolarHBondContact O-N 3.31Å; F188-I192 VanDerWaalsContact O-N 3.13Å; F188-I268 HydrophobicContact CB-CG2 3.88Å; F188-S271 WeakPolarHBondContact CD2-OG 3.4Å; F188-S271 WeakPolarHBondContact CE2-OG 3.33Å; F188-G272 VanDerWaalsContact CE2-CA 3.5Å; F188-G272 WeakPolarHBondContact O-CA 3.3Å; F188-F275 HydrophobicContact CE1-CD1 4.15Å; F188-F275 HydrophobicContact CZ-CB 4.05Å; F188-F275 HydrophobicContact CZ-CD1 4Å; F188-F275 HydrophobicContact CZ-CG 4.08Å |
| 189 | I | 98.7 | Very high | 98.2 | Very high | 88 Ų | 88 | 47.4 Ų | 47.4 | 45% | 0.451 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -63.6 | -39.3 | 176.2 | -68.7 | 167.4 | 0 | 0 | 0 | 110.7 | L185 I187 G191 I192 L193 | L185-I189 VanDerWaalsContact O-CB 3.28Å; L185-I189 WeakPolarHBondContact O-CB 3.23Å; L185-I189 WeakPolarHBondContact O-CD1 3.28Å; L185-I189 WeakPolarHBondContact O-CG1 3.33Å; L185-I189 PolarHBondContact O-N 3.24Å; I187-I189 PolarHBondContact O-N 3.47Å; I189-G191 VanDerWaalsContact C-N 3.25Å; I189-G191 PolarHBondContact O-N 3.27Å; I189-I192 PolarHBondContact O-N 3.39Å; I189-I192 VanDerWaalsContact O-N 3.17Å; I189-L193 HydrophobicContact CG2-CD1 4.09Å; I189-L193 HydrophobicContact CG2-CG 4.26Å; I189-L193 WeakPolarHBondContact O-CG 3.27Å; I189-L193 PolarHBondContact O-N 3.28Å |
| 190 | S | 98.6 | Very high | 98.3 | Very high | 46 Ų | 46 | 45 Ų | 45 | 32% | 0.322 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -61.8 | -34.8 | 175.2 | 78.4 | 0 | 0 | 0 | 0 | 112.4 | T186 I187 F188 L193 C194 F269 | T186-S190 WeakPolarHBondContact O-CB 3.37Å; T186-S190 PolarHBondContact O-N 3.13Å; T186-S190 PolarHBondContact O-OG 3.49Å; I187-S190 WeakPolarHBondContact CA-OG 3.22Å; I187-S190 PolarHBondContact O-N 2.71Å; I187-S190 PolarHBondContact O-OG 2.91Å; F188-S190 VanDerWaalsContact C-N 3.32Å; F188-S190 PolarHBondContact O-N 3.25Å; S190-L193 PolarHBondContact O-N 2.61Å; S190-C194 VanDerWaalsContact O-CB 3.27Å; S190-C194 WeakPolarHBondContact O-CB 3.34Å; S190-C194 PolarHBondContact O-N 3.34Å; S190-F269 WeakPolarHBondContact OG-CD2 3.17Å |
| 191 | G | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.4 | -47.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | I187 F188 I189 C194 W195 N273 | I187-G191 PolarHBondContact O-N 3.19Å; F188-G191 PolarHBondContact O-N 3.43Å; F188-G191 VanDerWaalsContact O-N 3.15Å; I189-G191 VanDerWaalsContact C-N 3.25Å; I189-G191 PolarHBondContact O-N 3.27Å; G191-C194 WeakPolarHBondContact O-CB 3.31Å; G191-C194 PolarHBondContact O-N 3.26Å; G191-W195 PolarHBondContact O-N 3.42Å; G191-N273 VanDerWaalsContact O-CA 3.27Å; G191-N273 WeakPolarHBondContact O-CA 3.4Å; G191-N273 PolarHBondContact O-ND2 3.5Å |
| 192 | I | 98.8 | Very high | 98.4 | Very high | 51 Ų | 51 | 49.3 Ų | 49.3 | 26% | 0.262 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61.4 | -45.4 | 176.1 | -64.1 | 170.2 | 0 | 0 | 0 | 111.2 | F188 I189 C194 W195 S196 G272 F275 | F188-I192 HydrophobicContact CD1-CD1 3.88Å; F188-I192 HydrophobicContact CE1-CD1 3.6Å; F188-I192 HydrophobicContact CE1-CG1 4.36Å; F188-I192 HydrophobicContact CZ-CD1 4.49Å; F188-I192 PolarHBondContact O-N 3.31Å; F188-I192 VanDerWaalsContact O-N 3.13Å; I189-I192 PolarHBondContact O-N 3.39Å; I189-I192 VanDerWaalsContact O-N 3.17Å; I192-C194 VanDerWaalsContact C-N 3.35Å; I192-W195 WeakPolarHBondContact O-CB 3.17Å; I192-W195 PolarHBondContact O-N 3.27Å; I192-S196 PolarHBondContact O-N 2.73Å; I192-G272 WeakPolarHBondContact CG1-O 3.12Å; I192-F275 HydrophobicContact CD1-CD1 3.84Å; I192-F275 HydrophobicContact CD1-CE1 4.27Å; I192-F275 HydrophobicContact CG1-CD1 4.19Å |
| 193 | L | 98.4 | Very high | 98.4 | Very high | 98 Ų | 98 | 46.7 Ų | 46.7 | 51% | 0.513 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -64.3 | -41.2 | 178.6 | -68.8 | 177.3 | 0 | 0 | 0 | 111.4 | I189 S190 W195 S196 L197 | I189-L193 HydrophobicContact CG2-CD1 4.09Å; I189-L193 HydrophobicContact CG2-CG 4.26Å; I189-L193 WeakPolarHBondContact O-CG 3.27Å; I189-L193 PolarHBondContact O-N 3.28Å; S190-L193 PolarHBondContact O-N 2.61Å; L193-W195 VanDerWaalsContact C-N 3.33Å; L193-W195 PolarHBondContact O-N 2.81Å; L193-S196 PolarHBondContact O-N 3.02Å; L193-S196 PolarHBondContact O-OG 2.89Å; L193-L197 PolarHBondContact O-N 3.02Å; L193-L197 VanDerWaalsContact O-N 3.1Å |
| 194 | C | 98.4 | Very high | 98.4 | Very high | 39 Ų | 39 | 44.1 Ų | 44.1 | 26% | 0.264 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -59.8 | -43.8 | 173 | -176.8 | 0 | 0 | 0 | 0 | 111.1 | S190 G191 I192 S196 L197 M198 F269 | S190-C194 VanDerWaalsContact O-CB 3.27Å; S190-C194 WeakPolarHBondContact O-CB 3.34Å; S190-C194 PolarHBondContact O-N 3.34Å; G191-C194 WeakPolarHBondContact O-CB 3.31Å; G191-C194 PolarHBondContact O-N 3.26Å; I192-C194 VanDerWaalsContact C-N 3.35Å; C194-S196 PolarHBondContact O-N 3.27Å; C194-L197 WeakPolarHBondContact O-CB 3.35Å; C194-L197 PolarHBondContact O-N 3.49Å; C194-M198 VanDerWaalsContact O-CG 3.26Å; C194-M198 WeakPolarHBondContact O-CG 3.39Å; C194-M198 PolarHBondContact O-N 3Å; C194-F269 HydrophobicContact CB-CE1 4.45Å; C194-F269 HydrophobicContact CB-CE2 4.26Å; C194-F269 HydrophobicContact CB-CZ 3.6Å |
| 195 | W | 98.7 | Very high | 98.4 | Very high | 25 Ų | 25 | 49 Ų | 49 | 10% | 0.095 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -56.9 | -48.9 | 172.9 | 168.3 | -94.1 | 0 | 0 | 0 | 111.5 | G191 I192 L193 L197 M198 E199 N273 G276 Y277 Y280 | G191-W195 PolarHBondContact O-N 3.42Å; I192-W195 WeakPolarHBondContact O-CB 3.17Å; I192-W195 PolarHBondContact O-N 3.27Å; L193-W195 VanDerWaalsContact C-N 3.33Å; L193-W195 PolarHBondContact O-N 2.81Å; W195-L197 PolarHBondContact O-N 3.11Å; W195-M198 CarbonylContact O-C 3.55Å; W195-M198 WeakPolarHBondContact O-CA 3.21Å; W195-M198 WeakPolarHBondContact O-CB 3.13Å; W195-M198 PolarHBondContact O-N 3.29Å; W195-E199 HydrophobicContact CZ2-CB 4.25Å; W195-E199 WeakPolarHBondContact O-CB 3.32Å; W195-E199 PolarHBondContact O-N 3.26Å; W195-N273 WeakPolarHBondContact CB-O 3.34Å; W195-N273 PolarHBondContact N-ND2 3.28Å; W195-G276 VanDerWaalsContact CG-C 3.44Å; W195-G276 PolarHBondContact NE1-O 3.04Å; W195-Y277 AromaticContact CH2-CD2 3.38Å; W195-Y277 HydrophobicContact CH2-CD2 3.38Å; W195-Y277 HydrophobicContact CH2-CE2 4.41Å; W195-Y277 AromaticContact CH2-CG 3.96Å; W195-Y277 HydrophobicContact CH2-CG 3.96Å; W195-Y277 AromaticContact CZ2-CD2 3.69Å; W195-Y277 HydrophobicContact CZ2-CD2 3.69Å; W195-Y277 HydrophobicContact CZ2-CG 4.27Å; W195-Y277 AromaticContact CZ3-CD2 3.99Å; W195-Y277 HydrophobicContact CZ3-CD2 3.99Å; W195-Y277 HydrophobicContact CZ3-CG 4.15Å; W195-Y280 HydrophobicContact CH2-CD1 4.33Å; W195-Y280 AromaticContact CZ2-CD1 3.48Å; W195-Y280 HydrophobicContact CZ2-CD1 3.48Å; W195-Y280 VanDerWaalsContact CZ2-CD1 3.48Å; W195-Y280 HydrophobicContact CZ2-CD2 4.46Å; W195-Y280 HydrophobicContact CZ2-CE1 4.15Å; W195-Y280 AromaticContact CZ2-CG 3.66Å; W195-Y280 HydrophobicContact CZ2-CG 3.66Å; W195-Y280 AromaticContact NE1-CG 3.9Å |
| 196 | S | 98.5 | Very high | 98.2 | Very high | 19 Ų | 19 | 46.5 Ų | 46.5 | 13% | 0.133 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59.3 | -32.6 | -178.8 | 76.3 | 0 | 0 | 0 | 0 | 112.7 | I192 L193 C194 Y200 W324 | I192-S196 PolarHBondContact O-N 2.73Å; L193-S196 PolarHBondContact O-N 3.02Å; L193-S196 PolarHBondContact O-OG 2.89Å; C194-S196 PolarHBondContact O-N 3.27Å; S196-Y200 PolarHBondContact O-N 2.84Å; S196-W324 PolarHBondContact O-NE1 2.95Å; S196-W324 PolarHBondContact OG-NE1 2.97Å |
| 197 | L | 98.5 | Very high | 98.1 | Very high | 52 Ų | 52 | 43.5 Ų | 43.5 | 27% | 0.272 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -73.1 | -42.6 | 174.5 | -176.1 | 62.3 | 0 | 0 | 0 | 111.2 | L193 C194 W195 Y200 F201 W324 F328 | L193-L197 PolarHBondContact O-N 3.02Å; L193-L197 VanDerWaalsContact O-N 3.1Å; C194-L197 WeakPolarHBondContact O-CB 3.35Å; C194-L197 PolarHBondContact O-N 3.49Å; W195-L197 PolarHBondContact O-N 3.11Å; L197-Y200 WeakPolarHBondContact O-CB 3.17Å; L197-Y200 PolarHBondContact O-N 3.25Å; L197-F201 HydrophobicContact CD1-CD2 3.99Å; L197-F201 HydrophobicContact CD1-CE2 3.51Å; L197-F201 HydrophobicContact CD1-CZ 4.48Å; L197-F201 HydrophobicContact CD2-CE2 4.3Å; L197-F201 HydrophobicContact CG-CD2 3.92Å; L197-F201 HydrophobicContact CG-CE2 3.72Å; L197-F201 VanDerWaalsContact O-CD2 3.25Å; L197-F201 WeakPolarHBondContact O-CD2 3.45Å; L197-F201 PolarHBondContact O-N 3.42Å; L197-F201 VanDerWaalsContact O-N 3.11Å; L197-W324 HydrophobicContact CB-CH2 4.48Å; L197-W324 HydrophobicContact CB-CZ2 3.85Å; L197-W324 HydrophobicContact CD1-CD2 3.61Å; L197-W324 HydrophobicContact CD1-CE3 3.61Å; L197-W324 HydrophobicContact CD1-CG 4.24Å; L197-W324 HydrophobicContact CD1-CH2 3.97Å; L197-W324 HydrophobicContact CD1-CZ2 3.97Å; L197-W324 HydrophobicContact CD1-CZ3 3.8Å; L197-W324 HydrophobicContact CG-CZ2 4.4Å; L197-F328 HydrophobicContact CD1-CE2 3.92Å; L197-F328 HydrophobicContact CD1-CZ 4.29Å |
| 198 | M | 98.2 | Very high | 98.1 | Very high | 35 Ų | 35 | 42.7 Ų | 42.7 | 17% | 0.172 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.6 | -42.4 | 174.9 | -69.5 | 172.9 | 61.2 | 0 | 0 | 111.8 | C194 W195 Y200 F201 I202 L253 | C194-M198 VanDerWaalsContact O-CG 3.26Å; C194-M198 WeakPolarHBondContact O-CG 3.39Å; C194-M198 PolarHBondContact O-N 3Å; W195-M198 CarbonylContact O-C 3.55Å; W195-M198 WeakPolarHBondContact O-CA 3.21Å; W195-M198 WeakPolarHBondContact O-CB 3.13Å; W195-M198 PolarHBondContact O-N 3.29Å; M198-Y200 VanDerWaalsContact C-N 3.3Å; M198-Y200 PolarHBondContact O-N 3.5Å; M198-F201 PolarHBondContact O-N 2.93Å; M198-I202 HydrophobicContact CB-CD1 4.25Å; M198-I202 VanDerWaalsContact O-CB 3.28Å; M198-I202 WeakPolarHBondContact O-CB 3.26Å; M198-I202 WeakPolarHBondContact O-CG1 3.4Å; M198-I202 PolarHBondContact O-N 3.25Å; M198-L253 HydrophobicContact CE-CD1 3.46Å; M198-L253 VanDerWaalsContact CE-CD1 3.46Å; M198-L253 HydrophobicContact CE-CD2 3.72Å; M198-L253 HydrophobicContact CE-CG 4.23Å |
| 199 | E | 98.4 | Very high | 97.9 | Very high | 7 Ų | 7 | 45.9 Ų | 45.9 | 3% | 0.033 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -50.4 | -52 | 172.4 | 175.2 | -168.1 | 140.5 | 0 | 0 | 110.4 | W195 F201 H203 Y280 I319 S320 | W195-E199 HydrophobicContact CZ2-CB 4.25Å; W195-E199 WeakPolarHBondContact O-CB 3.32Å; W195-E199 PolarHBondContact O-N 3.26Å; E199-F201 PolarHBondContact O-N 2.81Å; E199-H203 WeakPolarHBondContact O-CB 3.23Å; E199-H203 PolarHBondContact O-N 3.07Å; E199-Y280 HydrophobicContact CG-CD2 3.53Å; E199-Y280 HydrophobicContact CG-CE2 3.61Å; E199-Y280 HydrophobicContact CG-CG 4.35Å; E199-Y280 VanDerWaalsContact OE2-CD2 3.31Å; E199-Y280 WeakPolarHBondContact OE2-CD2 3.45Å; E199-I319 WeakPolarHBondContact OE1-CA 3.15Å; E199-I319 WeakPolarHBondContact OE1-CB 3.33Å; E199-I319 PolarHBondContact OE1-N 2.65Å; E199-S320 PolarHBondContact OE1-N 2.82Å; E199-S320 VanDerWaalsContact OE2-CB 3.27Å; E199-S320 WeakPolarHBondContact OE2-CB 3.44Å; E199-S320 PolarHBondContact OE2-OG 3.38Å |
| 200 | Y | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58.3 | -48.8 | 178.5 | 178.8 | -92.2 | 0 | 0 | 0 | 112.3 | S196 L197 M198 R204 Y317 W324 D325 F328 T330 | S196-Y200 PolarHBondContact O-N 2.84Å; L197-Y200 WeakPolarHBondContact O-CB 3.17Å; L197-Y200 PolarHBondContact O-N 3.25Å; M198-Y200 VanDerWaalsContact C-N 3.3Å; M198-Y200 PolarHBondContact O-N 3.5Å; Y200-R204 VanDerWaalsContact O-CB 3.26Å; Y200-R204 WeakPolarHBondContact O-CB 3.38Å; Y200-R204 PolarHBondContact O-N 3.44Å; Y200-R204 WeakPolarHBondContact OH-CD 3.43Å; Y200-R204 PolarHBondContact OH-NH1 2.75Å; Y200-Y317 HydrophobicContact CE2-CD2 4.17Å; Y200-Y317 HydrophobicContact CE2-CG 4.49Å; Y200-W324 HydrophobicContact CD1-CB 4.17Å; Y200-W324 HydrophobicContact CD2-CB 3.45Å; Y200-W324 VanDerWaalsContact CD2-CB 3.45Å; Y200-W324 HydrophobicContact CE2-CB 4.12Å; Y200-W324 HydrophobicContact CG-CB 3.48Å; Y200-W324 VanDerWaalsContact CG-CB 3.48Å; Y200-W324 HydrophobicContact CG-CG 4.33Å; Y200-D325 WeakPolarHBondContact CE2-OD1 3.5Å; Y200-F328 AromaticContact CD1-CD2 3.7Å; Y200-F328 HydrophobicContact CD1-CD2 3.7Å; Y200-F328 AromaticContact CD1-CE2 3.99Å; Y200-F328 HydrophobicContact CD1-CE2 3.99Å; Y200-F328 HydrophobicContact CE1-CB 3.95Å; Y200-F328 AromaticContact CE1-CD2 3.29Å; Y200-F328 HydrophobicContact CE1-CD2 3.29Å; Y200-F328 AromaticContact CE1-CE2 3.98Å; Y200-F328 HydrophobicContact CE1-CE2 3.98Å; Y200-F328 AromaticContact CE1-CG 3.8Å; Y200-F328 HydrophobicContact CE1-CG 3.8Å; Y200-F328 HydrophobicContact CE2-CD2 4.43Å; Y200-F328 HydrophobicContact CG-CD2 4.44Å; Y200-F328 AromaticContact CZ-CD2 3.72Å; Y200-F328 WeakPolarHBondContact OH-CB 3.22Å; Y200-T330 WeakPolarHBondContact CE2-OG1 3.19Å; Y200-T330 WeakPolarHBondContact OH-CG2 3.38Å; Y200-T330 PolarHBondContact OH-OG1 3.33Å |
| 201 | F | 98.2 | Very high | 97.6 | Very high | 86 Ų | 86 | 44.7 Ų | 44.7 | 38% | 0.377 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -69.8 | -42.3 | -178.4 | -78.2 | -69 | 0 | 0 | 0 | 113 | L197 M198 E199 H203 Y205 F328 | L197-F201 HydrophobicContact CD1-CD2 3.99Å; L197-F201 HydrophobicContact CD1-CE2 3.51Å; L197-F201 HydrophobicContact CD1-CZ 4.48Å; L197-F201 HydrophobicContact CD2-CE2 4.3Å; L197-F201 HydrophobicContact CG-CD2 3.92Å; L197-F201 HydrophobicContact CG-CE2 3.72Å; L197-F201 VanDerWaalsContact O-CD2 3.25Å; L197-F201 WeakPolarHBondContact O-CD2 3.45Å; L197-F201 PolarHBondContact O-N 3.42Å; L197-F201 VanDerWaalsContact O-N 3.11Å; M198-F201 PolarHBondContact O-N 2.93Å; E199-F201 PolarHBondContact O-N 2.81Å; F201-H203 VanDerWaalsContact C-N 3.33Å; F201-Y205 AromaticContact CD1-CD2 3.65Å; F201-Y205 HydrophobicContact CD1-CD2 3.65Å; F201-Y205 AromaticContact CD1-CE2 3.6Å; F201-Y205 HydrophobicContact CD1-CE2 3.6Å; F201-Y205 HydrophobicContact CE1-CD2 4.39Å; F201-Y205 AromaticContact CE1-CE2 3.91Å; F201-Y205 HydrophobicContact CE1-CE2 3.91Å; F201-Y205 WeakPolarHBondContact O-CB 3.28Å; F201-Y205 PolarHBondContact O-N 3.38Å; F201-F328 HydrophobicContact CE2-CE2 4.41Å; F201-F328 HydrophobicContact CE2-CZ 4.25Å; F201-F328 HydrophobicContact CZ-CE1 4.32Å; F201-F328 HydrophobicContact CZ-CE2 4.15Å; F201-F328 AromaticContact CZ-CZ 3.75Å; F201-F328 HydrophobicContact CZ-CZ 3.75Å |
| 202 | I | 97.4 | Very high | 97.4 | Very high | 55 Ų | 55 | 47 Ų | 47 | 28% | 0.282 | 23% | 0.233 | S | C | . | . | I | π-helix | trans | -62.6 | -45.2 | 176.4 | -68.9 | 166.9 | 0 | 0 | 0 | 109 | M198 G206 F207 | M198-I202 HydrophobicContact CB-CD1 4.25Å; M198-I202 VanDerWaalsContact O-CB 3.28Å; M198-I202 WeakPolarHBondContact O-CB 3.26Å; M198-I202 WeakPolarHBondContact O-CG1 3.4Å; M198-I202 PolarHBondContact O-N 3.25Å; I202-G206 CarbonylContact O-C 3.54Å; I202-G206 WeakPolarHBondContact O-CA 3.45Å; I202-G206 PolarHBondContact O-N 3.47Å; I202-F207 HydrophobicContact CG2-CD1 3.97Å; I202-F207 HydrophobicContact CG2-CD2 4.35Å; I202-F207 HydrophobicContact CG2-CE1 3.6Å; I202-F207 HydrophobicContact CG2-CE2 4Å; I202-F207 HydrophobicContact CG2-CG 4.33Å; I202-F207 HydrophobicContact CG2-CZ 3.61Å; I202-F207 PolarHBondContact O-N 3.08Å |
| 203 | H | 98.1 | Very high | 97.2 | Very high | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | I | π-helix | trans | -65.9 | -49.1 | 179.8 | -167.1 | -172.3 | 0 | 0 | 0 | 111.2 | E199 F201 F207 H208 H226 H308 Y317 | E199-H203 WeakPolarHBondContact O-CB 3.23Å; E199-H203 PolarHBondContact O-N 3.07Å; F201-H203 VanDerWaalsContact C-N 3.33Å; H203-F207 HydrophobicContact CB-CD2 4.38Å; H203-F207 AromaticContact CD2-CD2 3.98Å; H203-F207 WeakPolarHBondContact O-CB 3.47Å; H203-H208 AromaticContact CD2-CD2 3.43Å; H203-H208 PolarHBondContact CD2-CD2 2.97Å; H203-H208 VanDerWaalsContact CD2-CD2 3.43Å; H203-H208 AromaticContact CD2-NE2 3.69Å; H203-H208 AromaticContact NE2-CD2 3.56Å; H203-H208 AromaticContact NE2-NE2 3.31Å; H203-H208 PolarHBondContact NE2-NE2 3.3Å; H203-H208 PolarHBondContact O-CD2 3.1Å; H203-H208 VanDerWaalsContact O-CD2 3.29Å; H203-H208 PolarHBondContact O-N 3.01Å; H203-H226 AromaticContact CD2-CE1 3.92Å; H203-H226 AromaticContact CD2-NE2 3.59Å; H203-H226 AromaticContact NE2-CE1 3.66Å; H203-H226 AromaticContact NE2-NE2 3.25Å; H203-H226 PolarHBondContact NE2-NE2 2.77Å; H203-H308 AromaticContact CE1-CD2 3.99Å; H203-H308 AromaticContact CE1-CE1 3.76Å; H203-H308 AromaticContact CE1-NE2 3.46Å; H203-H308 PolarHBondContact CE1-NE2 3.21Å; H203-H308 AromaticContact NE2-CE1 3.6Å; H203-H308 AromaticContact NE2-NE2 3.15Å; H203-H308 PolarHBondContact NE2-NE2 3.31Å; H203-H308 VanDerWaalsContact NE2-NE2 3.15Å; H203-Y317 PolarHBondContact ND1-O 3.02Å |
| 204 | R | 97.9 | Very high | 97 | Very high | 64 Ų | 64 | 50.3 Ų | 50.3 | 24% | 0.242 | 25% | 0.254 | C | S | . | . | I | π-helix | trans | -69.8 | -46.5 | -177.2 | -177.9 | 171.1 | -179.9 | -174.3 | -0.3 | 114.1 | Y200 H208 Y317 | Y200-R204 VanDerWaalsContact O-CB 3.26Å; Y200-R204 WeakPolarHBondContact O-CB 3.38Å; Y200-R204 PolarHBondContact O-N 3.44Å; Y200-R204 WeakPolarHBondContact OH-CD 3.43Å; Y200-R204 PolarHBondContact OH-NH1 2.75Å; R204-H208 WeakPolarHBondContact O-CB 3.41Å; R204-Y317 HydrophobicContact CB-CD1 3.87Å; R204-Y317 HydrophobicContact CB-CD2 3.98Å; R204-Y317 HydrophobicContact CB-CE1 4.1Å; R204-Y317 HydrophobicContact CB-CE2 4.21Å; R204-Y317 HydrophobicContact CB-CG 3.79Å; R204-Y317 HydrophobicContact CG-CD1 4.3Å; R204-Y317 HydrophobicContact CG-CD2 3.93Å; R204-Y317 HydrophobicContact CG-CE1 4.09Å; R204-Y317 HydrophobicContact CG-CE2 3.69Å; R204-Y317 HydrophobicContact CG-CG 4.21Å |
| 205 | Y | 97.2 | Very high | 96.9 | Very high | 129 Ų | 129 | 49.9 Ų | 49.9 | 51% | 0.506 | 25% | 0.251 | S | S | . | . | I | π-helix | trans | -109.7 | -15.3 | -170.2 | -60.7 | -77.1 | 0 | 0 | 0 | 114.2 | F201 W209 | F201-Y205 AromaticContact CD1-CD2 3.65Å; F201-Y205 HydrophobicContact CD1-CD2 3.65Å; F201-Y205 AromaticContact CD1-CE2 3.6Å; F201-Y205 HydrophobicContact CD1-CE2 3.6Å; F201-Y205 HydrophobicContact CE1-CD2 4.39Å; F201-Y205 AromaticContact CE1-CE2 3.91Å; F201-Y205 HydrophobicContact CE1-CE2 3.91Å; F201-Y205 WeakPolarHBondContact O-CB 3.28Å; F201-Y205 PolarHBondContact O-N 3.38Å; Y205-W209 WeakPolarHBondContact O-CB 3.39Å |
| 206 | G | 95.5 | Very high | 96.7 | Very high | 33 Ų | 33 | 52 Ų | 52 | 34% | 0.34 | 27% | 0.268 | S | S | . | . | I | π-helix | trans | -95 | -59 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | I202 W209 | I202-G206 CarbonylContact O-C 3.54Å; I202-G206 WeakPolarHBondContact O-CA 3.45Å; I202-G206 PolarHBondContact O-N 3.47Å; G206-W209 WeakPolarHBondContact O-CB 3.45Å |
| 207 | F | 97.1 | Very high | 96.6 | Very high | 26 Ų | 26 | 59.6 Ų | 59.6 | 11% | 0.114 | 30% | 0.299 | C | S | . | . | I | π-helix | trans | -78.9 | -29.3 | -173 | -69.8 | -5.4 | 0 | 0 | 0 | 113.8 | I202 H203 H222 H226 | I202-F207 HydrophobicContact CG2-CD1 3.97Å; I202-F207 HydrophobicContact CG2-CD2 4.35Å; I202-F207 HydrophobicContact CG2-CE1 3.6Å; I202-F207 HydrophobicContact CG2-CE2 4Å; I202-F207 HydrophobicContact CG2-CG 4.33Å; I202-F207 HydrophobicContact CG2-CZ 3.61Å; I202-F207 PolarHBondContact O-N 3.08Å; H203-F207 HydrophobicContact CB-CD2 4.38Å; H203-F207 AromaticContact CD2-CD2 3.98Å; H203-F207 WeakPolarHBondContact O-CB 3.47Å; F207-H222 PolarHBondContact O-NE2 3.48Å; F207-H226 HydrophobicContact CB-CB 3.58Å; F207-H226 VanDerWaalsContact CB-CG 3.47Å; F207-H226 HydrophobicContact CD1-CB 4.08Å; F207-H226 HydrophobicContact CD2-CB 4.23Å; F207-H226 AromaticContact CD2-CE1 3.87Å; F207-H226 AromaticContact CD2-CG 3.84Å; F207-H226 AromaticContact CD2-ND1 3.5Å; F207-H226 WeakPolarHBondContact CD2-ND1 3.26Å; F207-H226 HydrophobicContact CG-CB 3.72Å; F207-H226 AromaticContact CG-CG 3.73Å; F207-H226 AromaticContact CG-ND1 3.89Å |
| 208 | H | 96.8 | Very high | 96.5 | Very high | 9 Ų | 9 | 60.3 Ų | 60.3 | 4% | 0.042 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.7 | 22.5 | 172.8 | -78.1 | -79.5 | 0 | 0 | 0 | 113.2 | W121 H125 H203 R204 H226 H230 H308 Y317 | W121-H208 HydrophobicContact CH2-CB 4.44Å; W121-H208 AromaticContact CH2-ND1 3.96Å; H125-H208 AromaticContact NE2-CE1 3.79Å; H125-H208 AromaticContact NE2-ND1 3.88Å; H203-H208 AromaticContact CD2-CD2 3.43Å; H203-H208 PolarHBondContact CD2-CD2 2.97Å; H203-H208 VanDerWaalsContact CD2-CD2 3.43Å; H203-H208 AromaticContact CD2-NE2 3.69Å; H203-H208 AromaticContact NE2-CD2 3.56Å; H203-H208 AromaticContact NE2-NE2 3.31Å; H203-H208 PolarHBondContact NE2-NE2 3.3Å; H203-H208 PolarHBondContact O-CD2 3.1Å; H203-H208 VanDerWaalsContact O-CD2 3.29Å; H203-H208 PolarHBondContact O-N 3.01Å; R204-H208 WeakPolarHBondContact O-CB 3.41Å; H208-H226 AromaticContact NE2-CD2 3.82Å; H208-H226 AromaticContact NE2-NE2 3.53Å; H208-H230 AromaticContact CE1-CE1 3.52Å; H208-H230 AromaticContact CE1-NE2 3.28Å; H208-H230 PolarHBondContact CE1-NE2 3.08Å; H208-H230 VanDerWaalsContact CE1-NE2 3.28Å; H208-H230 AromaticContact NE2-CE1 3.8Å; H208-H230 AromaticContact NE2-NE2 3.27Å; H208-H230 PolarHBondContact NE2-NE2 2.91Å; H208-H308 AromaticContact CD2-CE1 3.77Å; H208-H308 AromaticContact CD2-NE2 3.99Å; H208-H308 AromaticContact CE1-CE1 3.56Å; H208-H308 AromaticContact CE1-NE2 3.53Å; H208-H308 AromaticContact NE2-CE1 3.03Å; H208-H308 PolarHBondContact NE2-CE1 3.21Å; H208-H308 AromaticContact NE2-NE2 2.93Å; H208-H308 PolarHBondContact NE2-NE2 2.82Å; H208-Y317 HydrophobicContact CB-CE1 4.15Å; H208-Y317 AromaticContact CD2-CE1 3.78Å; H208-Y317 AromaticContact CG-CE1 3.96Å |
| 209 | W | 95.5 | Very high | 96.4 | Very high | 100 Ų | 100 | 58.7 Ų | 58.7 | 38% | 0.379 | 29% | 0.294 | S | S | . | . | trans | -71 | 128.8 | 171.1 | 169.8 | 66.5 | 0 | 0 | 0 | 111 | Y205 G206 P211 P212 L218 H222 | Y205-W209 WeakPolarHBondContact O-CB 3.39Å; G206-W209 WeakPolarHBondContact O-CB 3.45Å; W209-P211 HydrophobicContact CE3-CB 4.34Å; W209-P211 HydrophobicContact CH2-CB 4.06Å; W209-P211 HydrophobicContact CZ3-CB 3.83Å; W209-P211 WeakPolarHBondContact O-CD 3.17Å; W209-P212 HydrophobicContact CZ2-CG 4.46Å; W209-L218 HydrophobicContact CH2-CB 3.98Å; W209-L218 HydrophobicContact CH2-CD1 4.06Å; W209-L218 HydrophobicContact CH2-CD2 4.17Å; W209-L218 HydrophobicContact CH2-CG 4.28Å; W209-L218 HydrophobicContact CZ3-CB 4.34Å; W209-H222 PolarHBondContact O-CD2 3.17Å; W209-H222 PolarHBondContact O-NE2 3.19Å | ||
| 210 | H | 94.7 | Very high | 96.3 | Very high | 96 Ų | 96 | 59.1 Ų | 59.1 | 44% | 0.444 | 30% | 0.299 | S | S | . | . | trans | -76.1 | 111.1 | 174.9 | -66.1 | 76.2 | 0 | 0 | 0 | 111.3 | W121 | W121-H210 AromaticContact CD1-NE2 3.94Å; W121-H210 AromaticContact CD2-CD2 3.33Å; W121-H210 AromaticContact CD2-NE2 3.24Å; W121-H210 AromaticContact CE2-CD2 3.62Å; W121-H210 AromaticContact CE2-CE1 3.76Å; W121-H210 AromaticContact CE2-NE2 2.96Å; W121-H210 AromaticContact CE3-CD2 3.39Å; W121-H210 AromaticContact CE3-NE2 3.62Å; W121-H210 AromaticContact CG-CD2 3.88Å; W121-H210 AromaticContact CG-NE2 3.88Å; W121-H210 AromaticContact CH2-CD2 3.99Å; W121-H210 AromaticContact CH2-CE1 3.57Å; W121-H210 AromaticContact CH2-NE2 3.52Å; W121-H210 AromaticContact CZ2-CD2 3.96Å; W121-H210 AromaticContact CZ2-CE1 3.43Å; W121-H210 VanDerWaalsContact CZ2-CE1 3.43Å; W121-H210 WeakPolarHBondContact CZ2-CE1 3.46Å; W121-H210 AromaticContact CZ2-NE2 3.14Å; W121-H210 WeakPolarHBondContact CZ2-NE2 3.44Å; W121-H210 AromaticContact CZ3-CD2 3.71Å; W121-H210 AromaticContact CZ3-NE2 3.74Å; W121-H210 AromaticContact NE1-NE2 3.42Å; W121-H210 PolarHBondContact NE1-NE2 2.7Å | ||
| 211 | P | 95.8 | Very high | 96.1 | Very high | 14 Ų | 14 | 64.5 Ų | 64.5 | 9% | 0.091 | 32% | 0.322 | C | S | . | . | trans | -69 | 148.7 | 176 | 29.7 | -35.2 | 0 | 0 | 0 | 111.3 | Y120 W209 V213 L218 M219 H222 | Y120-P211 HydrophobicContact CD1-CG 3.9Å; Y120-P211 HydrophobicContact CE1-CG 3.55Å; W209-P211 HydrophobicContact CE3-CB 4.34Å; W209-P211 HydrophobicContact CH2-CB 4.06Å; W209-P211 HydrophobicContact CZ3-CB 3.83Å; W209-P211 WeakPolarHBondContact O-CD 3.17Å; P211-V213 PolarHBondContact O-N 2.89Å; P211-L218 HydrophobicContact CB-CB 4.24Å; P211-M219 HydrophobicContact CB-CG 4Å; P211-M219 HydrophobicContact CG-CB 4.37Å; P211-M219 HydrophobicContact CG-CG 3.82Å; P211-H222 HydrophobicContact CB-CB 4.36Å; P211-H222 HydrophobicContact CG-CB 4.03Å | ||
| 212 | P | 95.5 | Very high | 96 | Very high | 49 Ų | 49 | 60.6 Ų | 60.6 | 32% | 0.318 | 31% | 0.305 | S | S | . | . | trans | -60.6 | 135.6 | 175.5 | -23 | 33.2 | 0 | 0 | 0 | 112.5 | W209 D214 S215 L218 | W209-P212 HydrophobicContact CZ2-CG 4.46Å; P212-D214 WeakPolarHBondContact CB-OD1 2.89Å; P212-D214 PolarHBondContact O-N 3.5Å; P212-S215 PolarHBondContact O-N 3.21Å; P212-S215 VanDerWaalsContact O-N 3.09Å; P212-L218 HydrophobicContact CG-CD1 4.07Å | ||
| 213 | V | 94.1 | Very high | 96 | Very high | 77 Ų | 77 | 58 Ų | 58 | 47% | 0.467 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -26 | -177.8 | 173.6 | 0 | 0 | 0 | 0 | 112.8 | K117 D118 P211 | K117-V213 HydrophobicContact CB-CG1 3.76Å; D118-V213 HydrophobicContact CB-CG1 4.44Å; P211-V213 PolarHBondContact O-N 2.89Å |
| 214 | D | 93.9 | Very high | 95.8 | Very high | 141 Ų | 141 | 61.9 Ų | 61.9 | 75% | 0.754 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | 0 | 179.7 | 63.7 | -25.5 | 0 | 0 | 0 | 113.6 | P212 P216 | P212-D214 WeakPolarHBondContact CB-OD1 2.89Å; P212-D214 PolarHBondContact O-N 3.5Å; D214-P216 VanDerWaalsContact O-CD 3.29Å; D214-P216 WeakPolarHBondContact O-CD 3.42Å |
| 215 | S | 95.9 | Very high | 95.6 | Very high | 29 Ų | 29 | 61 Ų | 61 | 20% | 0.203 | 31% | 0.312 | C | S | . | . | trans | -120 | 86.3 | -178.3 | -170 | 0 | 0 | 0 | 0 | 113 | P212 K217 L218 M219 | P212-S215 PolarHBondContact O-N 3.21Å; P212-S215 VanDerWaalsContact O-N 3.09Å; S215-K217 PolarHBondContact O-N 3.11Å; S215-K217 VanDerWaalsContact O-N 3.11Å; S215-L218 PolarHBondContact O-N 3.46Å; S215-L218 WeakPolarHBondContact OG-CD1 3.48Å; S215-L218 VanDerWaalsContact OG-CG 3.27Å; S215-L218 WeakPolarHBondContact OG-CG 3.5Å; S215-M219 PolarHBondContact O-N 2.91Å | ||
| 216 | P | 95 | Very high | 95.5 | Very high | 69 Ų | 69 | 55.2 Ų | 55.2 | 45% | 0.448 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -50.8 | -36 | 174.1 | -32.2 | 37.7 | 0 | 0 | 0 | 114.3 | D214 A220 | D214-P216 VanDerWaalsContact O-CD 3.29Å; D214-P216 WeakPolarHBondContact O-CD 3.42Å; P216-A220 WeakPolarHBondContact O-CB 3.28Å; P216-A220 PolarHBondContact O-N 3.31Å |
| 217 | K | 95.7 | Very high | 95.5 | Very high | 180 Ų | 180 | 53.7 Ų | 53.7 | 78% | 0.783 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -67.7 | -42.1 | 179.7 | -66.2 | -177.8 | -178.2 | 177.4 | 0 | 111.9 | S215 A220 F221 | S215-K217 PolarHBondContact O-N 3.11Å; S215-K217 VanDerWaalsContact O-N 3.11Å; K217-A220 PolarHBondContact O-N 3.02Å; K217-F221 WeakPolarHBondContact O-CB 3.46Å; K217-F221 PolarHBondContact O-N 3.42Å |
| 218 | L | 96.5 | Very high | 95.5 | Very high | 66 Ų | 66 | 53 Ų | 53 | 35% | 0.346 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -71.7 | -34.5 | 178.2 | -68.1 | 174.1 | 0 | 0 | 0 | 111.6 | W209 P211 P212 S215 F221 H222 | W209-L218 HydrophobicContact CH2-CB 3.98Å; W209-L218 HydrophobicContact CH2-CD1 4.06Å; W209-L218 HydrophobicContact CH2-CD2 4.17Å; W209-L218 HydrophobicContact CH2-CG 4.28Å; W209-L218 HydrophobicContact CZ3-CB 4.34Å; P211-L218 HydrophobicContact CB-CB 4.24Å; P212-L218 HydrophobicContact CG-CD1 4.07Å; S215-L218 PolarHBondContact O-N 3.46Å; S215-L218 WeakPolarHBondContact OG-CD1 3.48Å; S215-L218 VanDerWaalsContact OG-CG 3.27Å; S215-L218 WeakPolarHBondContact OG-CG 3.5Å; L218-F221 PolarHBondContact O-N 2.98Å; L218-H222 WeakPolarHBondContact O-CB 3.5Å; L218-H222 PolarHBondContact O-N 2.96Å |
| 219 | M | 96.7 | Very high | 95.4 | Very high | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.2 | -45 | 171 | -69.8 | 169.3 | 38 | 0 | 0 | 112.1 | I113 L116 Y120 P211 S215 F221 H222 F223 | I113-M219 HydrophobicContact CG2-CB 3.72Å; I113-M219 HydrophobicContact CG2-CE 3.83Å; I113-M219 WeakPolarHBondContact O-CE 3.21Å; L116-M219 HydrophobicContact CB-CE 4.42Å; Y120-M219 HydrophobicContact CD1-CG 4.3Å; Y120-M219 HydrophobicContact CD2-CE 4.02Å; Y120-M219 HydrophobicContact CG-CE 3.93Å; Y120-M219 HydrophobicContact CG-CG 4.45Å; Y120-M219 PolarHBondContact OH-O 2.84Å; P211-M219 HydrophobicContact CB-CG 4Å; P211-M219 HydrophobicContact CG-CB 4.37Å; P211-M219 HydrophobicContact CG-CG 3.82Å; S215-M219 PolarHBondContact O-N 2.91Å; M219-F221 VanDerWaalsContact C-N 3.3Å; M219-F221 PolarHBondContact O-N 3.05Å; M219-H222 PolarHBondContact O-N 2.88Å; M219-F223 WeakPolarHBondContact O-CB 3.48Å; M219-F223 PolarHBondContact O-N 3.27Å |
| 220 | A | 95.7 | Very high | 95.4 | Very high | 16 Ų | 16 | 48.2 Ų | 48.2 | 13% | 0.132 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.9 | -39.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | V110 P216 K217 F223 I224 | V110-A220 HydrophobicContact CG1-CB 4.16Å; P216-A220 WeakPolarHBondContact O-CB 3.28Å; P216-A220 PolarHBondContact O-N 3.31Å; K217-A220 PolarHBondContact O-N 3.02Å; A220-F223 WeakPolarHBondContact O-CB 3.23Å; A220-F223 PolarHBondContact O-N 3.37Å; A220-I224 WeakPolarHBondContact O-CG1 3.42Å; A220-I224 PolarHBondContact O-N 3.04Å |
| 221 | F | 95.1 | Very high | 95.4 | Very high | 113 Ų | 113 | 43.7 Ų | 43.7 | 50% | 0.496 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -62.4 | -51.1 | 175.2 | 177.9 | -109.2 | 0 | 0 | 0 | 112.2 | K217 L218 M219 F223 I224 L225 | K217-F221 WeakPolarHBondContact O-CB 3.46Å; K217-F221 PolarHBondContact O-N 3.42Å; L218-F221 PolarHBondContact O-N 2.98Å; M219-F221 VanDerWaalsContact C-N 3.3Å; M219-F221 PolarHBondContact O-N 3.05Å; F221-F223 VanDerWaalsContact C-N 3.27Å; F221-F223 PolarHBondContact O-N 2.76Å; F221-I224 PolarHBondContact O-N 3.09Å; F221-L225 HydrophobicContact CD1-CD1 3.83Å; F221-L225 HydrophobicContact CD1-CG 4.43Å; F221-L225 HydrophobicContact CD2-CG 4.38Å; F221-L225 HydrophobicContact CE1-CD1 3.25Å; F221-L225 HydrophobicContact CE1-CG 4.12Å; F221-L225 HydrophobicContact CE2-CD1 4.01Å; F221-L225 HydrophobicContact CE2-CD2 4.26Å; F221-L225 HydrophobicContact CE2-CG 4.06Å; F221-L225 HydrophobicContact CG-CD1 4.43Å; F221-L225 HydrophobicContact CZ-CD1 3.37Å; F221-L225 HydrophobicContact CZ-CD2 4.24Å; F221-L225 HydrophobicContact CZ-CG 3.94Å; F221-L225 WeakPolarHBondContact O-CG 3.49Å; F221-L225 PolarHBondContact O-N 3.02Å |
| 222 | H | 96.7 | Very high | 95.2 | Very high | 4 Ų | 4 | 43 Ų | 43 | 2% | 0.019 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58.1 | -40.8 | 174.6 | 172.8 | -88.6 | 0 | 0 | 0 | 111.8 | Y120 W121 F207 W209 P211 L218 M219 I224 L225 H226 G227 | Y120-H222 AromaticContact CE1-ND1 3.44Å; Y120-H222 WeakPolarHBondContact CE1-ND1 3.35Å; Y120-H222 AromaticContact CZ-ND1 3.51Å; Y120-H222 PolarHBondContact OH-ND1 2.7Å; W121-H222 AromaticContact CZ3-CE1 3.91Å; W121-H222 AromaticContact CZ3-NE2 3.82Å; F207-H222 PolarHBondContact O-NE2 3.48Å; W209-H222 PolarHBondContact O-CD2 3.17Å; W209-H222 PolarHBondContact O-NE2 3.19Å; P211-H222 HydrophobicContact CB-CB 4.36Å; P211-H222 HydrophobicContact CG-CB 4.03Å; L218-H222 WeakPolarHBondContact O-CB 3.5Å; L218-H222 PolarHBondContact O-N 2.96Å; M219-H222 PolarHBondContact O-N 2.88Å; H222-I224 PolarHBondContact O-N 3.22Å; H222-L225 PolarHBondContact O-N 3.1Å; H222-H226 PolarHBondContact O-N 3.21Å; H222-H226 VanDerWaalsContact O-N 3.13Å; H222-G227 PolarHBondContact O-N 3.13Å |
| 223 | F | 96.2 | Very high | 95 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | I | π-helix | trans | -59.1 | -48 | 176.9 | -179.9 | -108.6 | 0 | 0 | 0 | 110.9 | V109 V110 I113 Y120 W123 I124 L132 L134 M219 A220 F221 G227 L228 K231 | V109-F223 HydrophobicContact CB-CE1 4.5Å; V109-F223 HydrophobicContact CB-CZ 4.48Å; V109-F223 HydrophobicContact CG1-CE1 3.92Å; V109-F223 HydrophobicContact CG1-CE2 4.41Å; V109-F223 HydrophobicContact CG1-CZ 3.67Å; V110-F223 HydrophobicContact CG2-CD1 4.19Å; V110-F223 HydrophobicContact CG2-CE1 4.18Å; I113-F223 HydrophobicContact CD1-CD1 4.22Å; I113-F223 HydrophobicContact CD1-CD2 3.85Å; I113-F223 HydrophobicContact CD1-CE1 4.37Å; I113-F223 HydrophobicContact CD1-CE2 4.09Å; I113-F223 HydrophobicContact CD1-CG 3.96Å; I113-F223 HydrophobicContact CD1-CZ 4.33Å; I113-F223 HydrophobicContact CG1-CB 4.29Å; I113-F223 HydrophobicContact CG1-CD1 3.99Å; I113-F223 HydrophobicContact CG1-CD2 4.4Å; I113-F223 HydrophobicContact CG1-CE1 4.41Å; I113-F223 HydrophobicContact CG1-CG 3.98Å; Y120-F223 HydrophobicContact CE2-CB 4.26Å; Y120-F223 VanDerWaalsContact OH-CA 3.23Å; Y120-F223 WeakPolarHBondContact OH-CA 3.35Å; Y120-F223 WeakPolarHBondContact OH-CB 3.33Å; Y120-F223 PolarHBondContact OH-N 3.39Å; W123-F223 AromaticContact CH2-CE2 3.9Å; W123-F223 HydrophobicContact CH2-CE2 3.9Å; W123-F223 HydrophobicContact CH2-CZ 4.36Å; W123-F223 HydrophobicContact CZ3-CD2 4.1Å; W123-F223 AromaticContact CZ3-CE2 3.72Å; W123-F223 HydrophobicContact CZ3-CE2 3.72Å; I124-F223 HydrophobicContact CD1-CD2 3.89Å; I124-F223 HydrophobicContact CG1-CD2 4.31Å; L132-F223 HydrophobicContact CD1-CZ 4.41Å; L134-F223 HydrophobicContact CD2-CE1 3.82Å; L134-F223 HydrophobicContact CD2-CZ 4.26Å; M219-F223 WeakPolarHBondContact O-CB 3.48Å; M219-F223 PolarHBondContact O-N 3.27Å; A220-F223 WeakPolarHBondContact O-CB 3.23Å; A220-F223 PolarHBondContact O-N 3.37Å; F221-F223 VanDerWaalsContact C-N 3.27Å; F221-F223 PolarHBondContact O-N 2.76Å; F223-G227 CarbonylContact O-C 3.59Å; F223-G227 PolarHBondContact O-N 3.29Å; F223-L228 HydrophobicContact CE1-CB 4.43Å; F223-L228 HydrophobicContact CE1-CD1 4.35Å; F223-L228 HydrophobicContact CE2-CB 4.24Å; F223-L228 HydrophobicContact CE2-CD1 4.4Å; F223-L228 HydrophobicContact CZ-CB 4.18Å; F223-L228 HydrophobicContact CZ-CD1 3.81Å; F223-L228 WeakPolarHBondContact O-CB 3.43Å; F223-L228 PolarHBondContact O-N 3.47Å; F223-K231 HydrophobicContact CE2-CB 4.41Å |
| 224 | I | 93.9 | Very high | 94.8 | Very high | 84 Ų | 84 | 37.8 Ų | 37.8 | 43% | 0.431 | 19% | 0.194 | S | C | . | . | I | π-helix | trans | -68.1 | -36 | 179.4 | -67.9 | 166 | 0 | 0 | 0 | 111.9 | V110 F135 A220 F221 H222 | V110-I224 HydrophobicContact CG1-CD1 4.29Å; V110-I224 HydrophobicContact CG2-CD1 4.38Å; V110-I224 HydrophobicContact CG2-CG1 4.36Å; F135-I224 HydrophobicContact CZ-CD1 4.13Å; A220-I224 WeakPolarHBondContact O-CG1 3.42Å; A220-I224 PolarHBondContact O-N 3.04Å; F221-I224 PolarHBondContact O-N 3.09Å; H222-I224 PolarHBondContact O-N 3.22Å |
| 225 | L | 93.8 | Very high | 94.7 | Very high | 45 Ų | 45 | 31.7 Ų | 31.7 | 24% | 0.236 | 16% | 0.162 | C | C | . | . | I | π-helix | trans | -68.7 | -49.4 | -176.8 | -80.2 | -174.8 | 0 | 0 | 0 | 113.9 | F221 H222 F241 | F221-L225 HydrophobicContact CD1-CD1 3.83Å; F221-L225 HydrophobicContact CD1-CG 4.43Å; F221-L225 HydrophobicContact CD2-CG 4.38Å; F221-L225 HydrophobicContact CE1-CD1 3.25Å; F221-L225 HydrophobicContact CE1-CG 4.12Å; F221-L225 HydrophobicContact CE2-CD1 4.01Å; F221-L225 HydrophobicContact CE2-CD2 4.26Å; F221-L225 HydrophobicContact CE2-CG 4.06Å; F221-L225 HydrophobicContact CG-CD1 4.43Å; F221-L225 HydrophobicContact CZ-CD1 3.37Å; F221-L225 HydrophobicContact CZ-CD2 4.24Å; F221-L225 HydrophobicContact CZ-CG 3.94Å; F221-L225 WeakPolarHBondContact O-CG 3.49Å; F221-L225 PolarHBondContact O-N 3.02Å; H222-L225 PolarHBondContact O-N 3.1Å; L225-F241 HydrophobicContact CD2-CE2 4.07Å; L225-F241 HydrophobicContact CD2-CZ 4.12Å |
| 226 | H | 95.8 | Very high | 94.5 | Very high | 8 Ų | 8 | 35.1 Ų | 35.1 | 4% | 0.037 | 17% | 0.173 | C | C | . | . | I | π-helix | trans | -149 | -27 | -174.9 | -169.2 | 67.3 | 0 | 0 | 0 | 113.4 | H203 F207 H208 H222 L228 H229 H230 | H203-H226 AromaticContact CD2-CE1 3.92Å; H203-H226 AromaticContact CD2-NE2 3.59Å; H203-H226 AromaticContact NE2-CE1 3.66Å; H203-H226 AromaticContact NE2-NE2 3.25Å; H203-H226 PolarHBondContact NE2-NE2 2.77Å; F207-H226 HydrophobicContact CB-CB 3.58Å; F207-H226 VanDerWaalsContact CB-CG 3.47Å; F207-H226 HydrophobicContact CD1-CB 4.08Å; F207-H226 HydrophobicContact CD2-CB 4.23Å; F207-H226 AromaticContact CD2-CE1 3.87Å; F207-H226 AromaticContact CD2-CG 3.84Å; F207-H226 AromaticContact CD2-ND1 3.5Å; F207-H226 WeakPolarHBondContact CD2-ND1 3.26Å; F207-H226 HydrophobicContact CG-CB 3.72Å; F207-H226 AromaticContact CG-CG 3.73Å; F207-H226 AromaticContact CG-ND1 3.89Å; H208-H226 AromaticContact NE2-CD2 3.82Å; H208-H226 AromaticContact NE2-NE2 3.53Å; H222-H226 PolarHBondContact O-N 3.21Å; H222-H226 VanDerWaalsContact O-N 3.13Å; H226-L228 VanDerWaalsContact C-N 3.3Å; H226-L228 PolarHBondContact O-N 2.77Å; H226-H229 AromaticContact CE1-CD2 3.89Å; H226-H229 WeakPolarHBondContact O-CB 3.49Å; H226-H229 PolarHBondContact O-N 2.96Å; H226-H230 AromaticContact CD2-CD2 3.27Å; H226-H230 PolarHBondContact CD2-CD2 3.01Å; H226-H230 AromaticContact CD2-NE2 3.43Å; H226-H230 PolarHBondContact CD2-NE2 2.85Å; H226-H230 AromaticContact CE1-NE2 3.91Å; H226-H230 AromaticContact NE2-CD2 3.19Å; H226-H230 PolarHBondContact NE2-CD2 3.05Å; H226-H230 AromaticContact NE2-NE2 2.91Å; H226-H230 PolarHBondContact NE2-NE2 3.36Å; H226-H230 PolarHBondContact O-N 2.76Å |
| 227 | G | 95.9 | Very high | 94.5 | Very high | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.01 | 16% | 0.157 | C | C | . | . | I | π-helix | trans | -61.9 | -34.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | I124 H222 F223 H229 H230 K231 | I124-G227 WeakPolarHBondContact CG1-O 3.39Å; H222-G227 PolarHBondContact O-N 3.13Å; F223-G227 CarbonylContact O-C 3.59Å; F223-G227 PolarHBondContact O-N 3.29Å; G227-H229 VanDerWaalsContact C-N 3.27Å; G227-H229 PolarHBondContact O-N 3.36Å; G227-H230 PolarHBondContact O-N 2.97Å; G227-K231 PolarHBondContact O-N 3.45Å |
| 228 | L | 95.6 | Very high | 94.4 | Very high | 11 Ų | 11 | 25.1 Ų | 25.1 | 6% | 0.058 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -59.6 | -39.8 | 172.1 | 172.8 | 60.7 | 0 | 0 | 0 | 111.3 | L134 F223 H226 K231 T232 R238 | L134-L228 HydrophobicContact CD1-CD2 3.54Å; L134-L228 HydrophobicContact CD2-CD1 3.81Å; L134-L228 HydrophobicContact CD2-CD2 3.94Å; L134-L228 HydrophobicContact CG-CD2 4.34Å; F223-L228 HydrophobicContact CE1-CB 4.43Å; F223-L228 HydrophobicContact CE1-CD1 4.35Å; F223-L228 HydrophobicContact CE2-CB 4.24Å; F223-L228 HydrophobicContact CE2-CD1 4.4Å; F223-L228 HydrophobicContact CZ-CB 4.18Å; F223-L228 HydrophobicContact CZ-CD1 3.81Å; F223-L228 WeakPolarHBondContact O-CB 3.43Å; F223-L228 PolarHBondContact O-N 3.47Å; H226-L228 VanDerWaalsContact C-N 3.3Å; H226-L228 PolarHBondContact O-N 2.77Å; L228-K231 PolarHBondContact O-N 3.2Å; L228-T232 HydrophobicContact CD1-CG2 4.46Å; L228-T232 PolarHBondContact O-N 3.46Å; L228-T232 PolarHBondContact O-OG1 2.89Å; L228-R238 HydrophobicContact CD2-CB 3.98Å; L228-R238 HydrophobicContact CD2-CG 3.88Å; L228-R238 HydrophobicContact CG-CB 4.37Å |
| 229 | H | 95.7 | Very high | 94.4 | Very high | 8 Ų | 8 | 22.7 Ų | 22.7 | 4% | 0.037 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -65.8 | -40.6 | 177.6 | 176.6 | 54.5 | 0 | 0 | 0 | 111.8 | H226 G227 K231 T232 P233 H284 H288 H309 | H226-H229 AromaticContact CE1-CD2 3.89Å; H226-H229 WeakPolarHBondContact O-CB 3.49Å; H226-H229 PolarHBondContact O-N 2.96Å; G227-H229 VanDerWaalsContact C-N 3.27Å; G227-H229 PolarHBondContact O-N 3.36Å; H229-K231 VanDerWaalsContact C-N 3.33Å; H229-K231 PolarHBondContact O-N 3.37Å; H229-T232 CarbonylContact O-C 3.57Å; H229-P233 WeakPolarHBondContact O-CA 3.28Å; H229-P233 WeakPolarHBondContact O-CB 3.34Å; H229-P233 WeakPolarHBondContact O-CD 3.42Å; H229-H284 AromaticContact CD2-CE1 3.68Å; H229-H284 AromaticContact CD2-NE2 3.79Å; H229-H284 AromaticContact CE1-NE2 3.75Å; H229-H284 AromaticContact NE2-CE1 3.34Å; H229-H284 PolarHBondContact NE2-CE1 3Å; H229-H284 VanDerWaalsContact NE2-CE1 3.34Å; H229-H284 AromaticContact NE2-NE2 3.02Å; H229-H284 PolarHBondContact NE2-NE2 3.24Å; H229-H288 AromaticContact CE1-CD2 3.68Å; H229-H288 AromaticContact CE1-CE1 3.62Å; H229-H288 AromaticContact CE1-NE2 3.25Å; H229-H288 PolarHBondContact CE1-NE2 3.36Å; H229-H288 VanDerWaalsContact CE1-NE2 3.25Å; H229-H288 AromaticContact NE2-CD2 3.94Å; H229-H288 AromaticContact NE2-CE1 3.79Å; H229-H288 AromaticContact NE2-NE2 3.21Å; H229-H288 PolarHBondContact NE2-NE2 2.93Å; H229-H309 AromaticContact CD2-CE1 3.39Å; H229-H309 PolarHBondContact CD2-CE1 3.34Å; H229-H309 AromaticContact CD2-NE2 3.72Å; H229-H309 AromaticContact CE1-CE1 3.86Å; H229-H309 AromaticContact CE1-NE2 3.98Å; H229-H309 AromaticContact NE2-CE1 3.11Å; H229-H309 PolarHBondContact NE2-CE1 3.27Å; H229-H309 AromaticContact NE2-NE2 3.08Å; H229-H309 PolarHBondContact NE2-NE2 3.39Å |
| 230 | H | 95.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -64.8 | -36.5 | 171.5 | -85.4 | -88.9 | 0 | 0 | 0 | 113.1 | I124 H125 H208 H226 G227 H308 H309 | I124-H230 CarbonylContact O-C 3.55Å; H125-H230 AromaticContact CD2-CG 3.74Å; H125-H230 AromaticContact CD2-ND1 3.44Å; H125-H230 PolarHBondContact CD2-ND1 3.42Å; H125-H230 AromaticContact NE2-ND1 3.99Å; H208-H230 AromaticContact CE1-CE1 3.52Å; H208-H230 AromaticContact CE1-NE2 3.28Å; H208-H230 PolarHBondContact CE1-NE2 3.08Å; H208-H230 VanDerWaalsContact CE1-NE2 3.28Å; H208-H230 AromaticContact NE2-CE1 3.8Å; H208-H230 AromaticContact NE2-NE2 3.27Å; H208-H230 PolarHBondContact NE2-NE2 2.91Å; H226-H230 AromaticContact CD2-CD2 3.27Å; H226-H230 PolarHBondContact CD2-CD2 3.01Å; H226-H230 AromaticContact CD2-NE2 3.43Å; H226-H230 PolarHBondContact CD2-NE2 2.85Å; H226-H230 AromaticContact CE1-NE2 3.91Å; H226-H230 AromaticContact NE2-CD2 3.19Å; H226-H230 PolarHBondContact NE2-CD2 3.05Å; H226-H230 AromaticContact NE2-NE2 2.91Å; H226-H230 PolarHBondContact NE2-NE2 3.36Å; H226-H230 PolarHBondContact O-N 2.76Å; G227-H230 PolarHBondContact O-N 2.97Å; H230-H308 AromaticContact CE1-CD2 3.49Å; H230-H308 PolarHBondContact CE1-CD2 2.78Å; H230-H308 VanDerWaalsContact CE1-CD2 3.49Å; H230-H308 AromaticContact CE1-NE2 3.16Å; H230-H308 PolarHBondContact CE1-NE2 3.23Å; H230-H308 AromaticContact NE2-CD2 3.91Å; H230-H308 AromaticContact NE2-NE2 3.28Å; H230-H308 PolarHBondContact NE2-NE2 3.39Å; H230-H309 AromaticContact CE1-CE1 3.85Å; H230-H309 AromaticContact CE1-ND1 3.76Å; H230-H309 AromaticContact ND1-CE1 3.95Å; H230-H309 AromaticContact ND1-ND1 3.56Å; H230-H309 AromaticContact NE2-CE1 3.98Å |
| 231 | K | 94 | Very high | 94.3 | Very high | 2 Ų | 2 | 23.6 Ų | 23.6 | 1% | 0.009 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -72.6 | -39.6 | 179.7 | -174 | 58.6 | 179.3 | 178.9 | 0 | 112 | D100 W123 I124 E126 P127 V128 L132 F223 G227 L228 H229 | D100-K231 IonicContact OD1-NZ 3.86Å; W123-K231 HydrophobicContact CH2-CD 4.25Å; W123-K231 HydrophobicContact CH2-CG 4Å; W123-K231 HydrophobicContact CZ2-CD 4.24Å; W123-K231 HydrophobicContact CZ2-CG 4.37Å; W123-K231 HydrophobicContact CZ3-CD 4.45Å; W123-K231 HydrophobicContact CZ3-CG 4.32Å; W123-K231 PolarHBondContact O-NZ 3.14Å; W123-K231 VanDerWaalsContact O-NZ 3.15Å; I124-K231 HydrophobicContact CG1-CB 4.37Å; I124-K231 WeakPolarHBondContact O-CA 3.35Å; I124-K231 PolarHBondContact O-N 3.49Å; E126-K231 WeakPolarHBondContact O-CD 3.17Å; E126-K231 PolarHBondContact O-NZ 3.46Å; P127-K231 CarbonylContact C-O 3.37Å; P127-K231 WeakPolarHBondContact CA-O 3.33Å; V128-K231 WeakPolarHBondContact CG2-O 3.39Å; V128-K231 PolarHBondContact N-O 3.47Å; L132-K231 HydrophobicContact CD1-CG 3.79Å; F223-K231 HydrophobicContact CE2-CB 4.41Å; G227-K231 PolarHBondContact O-N 3.45Å; L228-K231 PolarHBondContact O-N 3.2Å; H229-K231 VanDerWaalsContact C-N 3.33Å; H229-K231 PolarHBondContact O-N 3.37Å |
| 232 | T | 91.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.1 | C | C | . | . | trans | -129.9 | 65.2 | -177.6 | 63.7 | 0 | 0 | 0 | 0 | 111.1 | V128 D130 L132 L228 H229 M234 D235 | V128-T232 HydrophobicContact CG2-CG2 3.89Å; D130-T232 WeakPolarHBondContact O-CG2 3.4Å; L132-T232 HydrophobicContact CB-CG2 4.49Å; L132-T232 HydrophobicContact CD1-CG2 3.72Å; L132-T232 HydrophobicContact CG-CG2 3.69Å; L228-T232 HydrophobicContact CD1-CG2 4.46Å; L228-T232 PolarHBondContact O-N 3.46Å; L228-T232 PolarHBondContact O-OG1 2.89Å; H229-T232 CarbonylContact O-C 3.57Å; T232-M234 PolarHBondContact O-N 2.89Å; T232-M234 VanDerWaalsContact O-N 3.07Å; T232-D235 PolarHBondContact O-N 2.95Å | ||
| 233 | P | 92.3 | Very high | 94.2 | Very high | 2 Ų | 2 | 20.8 Ų | 20.8 | 1% | 0.013 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -21.8 | -171.7 | 23.6 | -33.4 | 0 | 0 | 0 | 113.4 | P127 H229 F310 | P127-P233 HydrophobicContact CB-CG 3.96Å; H229-P233 WeakPolarHBondContact O-CA 3.28Å; H229-P233 WeakPolarHBondContact O-CB 3.34Å; H229-P233 WeakPolarHBondContact O-CD 3.42Å; P233-F310 HydrophobicContact CB-CZ 4.44Å; P233-F310 HydrophobicContact CG-CE1 4.17Å; P233-F310 HydrophobicContact CG-CZ 3.72Å |
| 234 | M | 88.7 | Confident | 94 | Very high | 14 Ų | 14 | 24.5 Ų | 24.5 | 7% | 0.069 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | 2.2 | -179.8 | -53.2 | -54.9 | 173.8 | 0 | 0 | 113.9 | L37 T232 K236 Y306 F310 | L37-M234 HydrophobicContact CB-CE 4.19Å; L37-M234 HydrophobicContact CB-CG 4.35Å; L37-M234 HydrophobicContact CB-SD 3.91Å; L37-M234 HydrophobicContact CD1-CB 4Å; L37-M234 HydrophobicContact CD1-CG 3.99Å; L37-M234 HydrophobicContact CD1-SD 4.46Å; L37-M234 HydrophobicContact CD2-CB 4.24Å; L37-M234 HydrophobicContact CD2-CG 4.27Å; L37-M234 HydrophobicContact CD2-SD 3.8Å; L37-M234 HydrophobicContact CG-CG 4.42Å; L37-M234 HydrophobicContact CG-SD 4.25Å; L37-M234 WeakPolarHBondContact O-CE 3.36Å; T232-M234 PolarHBondContact O-N 2.89Å; T232-M234 VanDerWaalsContact O-N 3.07Å; M234-K236 PolarHBondContact O-N 3.2Å; M234-K236 VanDerWaalsContact O-N 3.14Å; M234-Y306 HydrophobicContact CE-CE1 3.7Å; M234-Y306 WeakPolarHBondContact CE-OH 3.37Å; M234-F310 HydrophobicContact CE-CE2 4.26Å; M234-F310 HydrophobicContact CE-CZ 3.88Å |
| 235 | D | 92.2 | Very high | 93.9 | Very high | 12 Ų | 12 | 23.7 Ų | 23.7 | 6% | 0.064 | 14% | 0.135 | C | C | . | . | trans | -76.3 | 99.9 | 173.9 | -169.1 | -21.8 | 0 | 0 | 0 | 110.2 | S131 R145 T232 D237 R238 | S131-D235 VanDerWaalsContact CB-OD2 3.23Å; S131-D235 WeakPolarHBondContact CB-OD2 3.49Å; S131-D235 PolarHBondContact OG-OD2 3.22Å; R145-D235 IonicContact NH1-OD1 3.78Å; T232-D235 PolarHBondContact O-N 2.95Å; D235-D237 PolarHBondContact O-N 3.47Å; D235-D237 PolarHBondContact OD1-N 2.9Å; D235-D237 VanDerWaalsContact OD1-N 3.1Å; D235-R238 HydrophobicContact CB-CB 4.38Å; D235-R238 PolarHBondContact O-N 2.88Å; D235-R238 VanDerWaalsContact O-N 3.08Å; D235-R238 WeakPolarHBondContact OD2-CD 3.49Å; D235-R238 IonicContact OD2-CZ 2.92Å; D235-R238 IonicContact OD2-NE 2.89Å; D235-R238 IonicContact OD2-NH1 2.75Å; D235-R238 PolarHBondContact OD2-NH1 3.17Å | ||
| 236 | K | 92.5 | Very high | 94 | Very high | 101 Ų | 101 | 21.8 Ų | 21.8 | 44% | 0.439 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -21.2 | -178.9 | -74.7 | 178.2 | -176.8 | -178.1 | 0 | 114.6 | M234 Y285 H289 | M234-K236 PolarHBondContact O-N 3.2Å; M234-K236 VanDerWaalsContact O-N 3.14Å; K236-Y285 WeakPolarHBondContact O-CE2 3.36Å; K236-H289 WeakPolarHBondContact CG-CD2 3.45Å; K236-H289 VanDerWaalsContact CG-NE2 3.28Å; K236-H289 WeakPolarHBondContact CG-NE2 3.47Å |
| 237 | D | 93.7 | Very high | 94 | Very high | 23 Ų | 23 | 23.4 Ų | 23.4 | 12% | 0.123 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | -3.7 | -176 | -67 | -14.4 | 0 | 0 | 0 | 113 | R145 T146 K147 D235 | R145-D237 CarbonylContact C-O 3.52Å; R145-D237 WeakPolarHBondContact CA-O 3.45Å; R145-D237 HydrophobicContact CB-CB 3.84Å; R145-D237 HydrophobicContact CG-CB 3.91Å; R145-D237 IonicContact NH1-OD2 3.94Å; T146-D237 PolarHBondContact N-O 3.16Å; T146-D237 CarbonylContact O-C 3.41Å; K147-D237 VanDerWaalsContact CD-OD1 3.28Å; K147-D237 WeakPolarHBondContact CD-OD1 3.46Å; K147-D237 WeakPolarHBondContact CE-OD1 3.19Å; K147-D237 IonicContact NZ-OD1 2.65Å; K147-D237 PolarHBondContact NZ-OD1 3.23Å; K147-D237 IonicContact NZ-OD2 3.97Å; K147-D237 PolarHBondContact NZ-OD2 3.24Å; D235-D237 PolarHBondContact O-N 3.47Å; D235-D237 PolarHBondContact OD1-N 2.9Å; D235-D237 VanDerWaalsContact OD1-N 3.1Å |
| 238 | R | 94.2 | Very high | 94 | Very high | 17 Ų | 17 | 29.3 Ų | 29.3 | 6% | 0.064 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -132.8 | 38.8 | -174.8 | -77.9 | 148.9 | 174.9 | 167 | -3.5 | 113 | S131 L132 E141 S144 R145 L228 D235 | S131-R238 PolarHBondContact OG-NH1 2.93Å; S131-R238 VanDerWaalsContact OG-NH1 3.08Å; L132-R238 PolarHBondContact O-NH1 3.23Å; L132-R238 PolarHBondContact O-NH2 3.47Å; E141-R238 VanDerWaalsContact CD-NH2 3.29Å; E141-R238 IonicContact OE1-CZ 3.78Å; E141-R238 IonicContact OE1-NH2 3.85Å; E141-R238 PolarHBondContact OE1-NH2 2.93Å; E141-R238 IonicContact OE2-NH2 3.62Å; S144-R238 WeakPolarHBondContact O-CG 3.17Å; S144-R238 PolarHBondContact OG-NE 3.46Å; S144-R238 PolarHBondContact OG-NH2 2.89Å; S144-R238 VanDerWaalsContact OG-NH2 3.07Å; R145-R238 VanDerWaalsContact NH2-NH1 3.15Å; L228-R238 HydrophobicContact CD2-CB 3.98Å; L228-R238 HydrophobicContact CD2-CG 3.88Å; L228-R238 HydrophobicContact CG-CB 4.37Å; D235-R238 HydrophobicContact CB-CB 4.38Å; D235-R238 PolarHBondContact O-N 2.88Å; D235-R238 VanDerWaalsContact O-N 3.08Å; D235-R238 WeakPolarHBondContact OD2-CD 3.49Å; D235-R238 IonicContact OD2-CZ 2.92Å; D235-R238 IonicContact OD2-NE 2.89Å; D235-R238 IonicContact OD2-NH1 2.75Å; D235-R238 PolarHBondContact OD2-NH1 3.17Å |
| 239 | L | 95.8 | Very high | 94 | Very high | 14 Ų | 14 | 32.7 Ų | 32.7 | 7% | 0.073 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -109.5 | -56.6 | 175.1 | -175.2 | 163 | 0 | 0 | 0 | 110.8 | H284 Y285 H288 H289 | L239-H284 HydrophobicContact CD2-CB 4.18Å; L239-Y285 HydrophobicContact CB-CD2 4.37Å; L239-Y285 HydrophobicContact CD1-CD2 4.17Å; L239-Y285 HydrophobicContact CD2-CD2 4.16Å; L239-Y285 HydrophobicContact CG-CD2 4.49Å; L239-H288 HydrophobicContact CD1-CB 3.62Å; L239-H289 VanDerWaalsContact CD1-CE1 3.45Å; L239-H289 WeakPolarHBondContact CD1-CE1 3.48Å |
| 240 | V | 96.5 | Very high | 94.1 | Very high | 4 Ų | 4 | 34 Ų | 34 | 2% | 0.024 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -71.1 | 146.5 | -176.8 | -64.7 | 0 | 0 | 0 | 0 | 111.2 | T146 W148 V151 P242 D281 M282 Y285 | T146-V240 HydrophobicContact CG2-CG2 3.64Å; T146-V240 WeakPolarHBondContact O-CG2 3.48Å; W148-V240 HydrophobicContact CB-CG1 4.48Å; V151-V240 HydrophobicContact CG2-CB 3.8Å; V151-V240 HydrophobicContact CG2-CG1 4.3Å; V151-V240 HydrophobicContact CG2-CG2 4.13Å; V240-P242 WeakPolarHBondContact O-CD 3.41Å; V240-D281 WeakPolarHBondContact CA-OD1 3.46Å; V240-M282 HydrophobicContact CG1-CE 4.18Å; V240-Y285 HydrophobicContact CG1-CD2 4.02Å; V240-Y285 HydrophobicContact CG1-CG 4.39Å |
| 241 | F | 94.4 | Very high | 94.2 | Very high | 32 Ų | 32 | 37.7 Ų | 37.7 | 14% | 0.14 | 22% | 0.216 | C | C | . | . | P | Polyproline II helix | trans | -74.3 | 124.8 | -176.1 | -157.4 | -104.7 | 0 | 0 | 0 | 110.2 | L225 P243 V245 A246 I249 Y277 D281 | L225-F241 HydrophobicContact CD2-CE2 4.07Å; L225-F241 HydrophobicContact CD2-CZ 4.12Å; F241-P243 WeakPolarHBondContact O-CD 3.44Å; F241-V245 HydrophobicContact CE1-CB 3.9Å; F241-V245 HydrophobicContact CE1-CG1 3.66Å; F241-V245 HydrophobicContact CZ-CB 4.27Å; F241-V245 HydrophobicContact CZ-CG1 3.65Å; F241-A246 HydrophobicContact CD1-CB 3.58Å; F241-A246 HydrophobicContact CE1-CB 4.09Å; F241-I249 HydrophobicContact CE1-CD1 4.3Å; F241-Y277 PolarHBondContact O-OH 2.86Å; F241-D281 PolarHBondContact N-OD2 3.09Å |
| 242 | P | 94.7 | Very high | 94.3 | Very high | 39 Ų | 39 | 42.4 Ų | 42.4 | 25% | 0.253 | 24% | 0.241 | S | C | . | . | P | Polyproline II helix | trans | -58.4 | 124.7 | -175.3 | -25.8 | 34.1 | 0 | 0 | 0 | 111.9 | V240 A244 V245 A246 | V240-P242 WeakPolarHBondContact O-CD 3.41Å; P242-A244 PolarHBondContact O-N 3.17Å; P242-A244 VanDerWaalsContact O-N 3.09Å; P242-V245 HydrophobicContact CB-CG2 4.26Å; P242-V245 PolarHBondContact O-N 3.38Å; P242-A246 PolarHBondContact O-N 3.23Å |
| 243 | P | 95.3 | Very high | 94.6 | Very high | 19 Ų | 19 | 43.8 Ų | 43.8 | 12% | 0.123 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -54.9 | -34.4 | -175.7 | -30.5 | 34.7 | 0 | 0 | 0 | 114.5 | A150 V154 W155 F241 V245 A246 S247 | A150-P243 HydrophobicContact CB-CG 4.32Å; V154-P243 HydrophobicContact CB-CB 4.24Å; V154-P243 HydrophobicContact CB-CG 4.46Å; V154-P243 HydrophobicContact CG1-CB 4.11Å; V154-P243 HydrophobicContact CG2-CB 4.1Å; V154-P243 HydrophobicContact CG2-CG 4.2Å; W155-P243 HydrophobicContact CZ2-CB 4.02Å; W155-P243 WeakPolarHBondContact CZ2-O 3.31Å; F241-P243 WeakPolarHBondContact O-CD 3.44Å; P243-V245 PolarHBondContact O-N 3.45Å; P243-A246 PolarHBondContact O-N 3.44Å; P243-S247 WeakPolarHBondContact O-CB 3.42Å; P243-S247 PolarHBondContact O-N 3.02Å |
| 244 | A | 92.5 | Very high | 94.9 | Very high | 79 Ų | 79 | 46.2 Ų | 46.2 | 65% | 0.653 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -60.5 | -43.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | P242 S247 | P242-A244 PolarHBondContact O-N 3.17Å; P242-A244 VanDerWaalsContact O-N 3.09Å; A244-S247 PolarHBondContact O-OG 2.87Å |
| 245 | V | 92 | Very high | 95.3 | Very high | 66 Ų | 66 | 52.7 Ų | 52.7 | 40% | 0.4 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -73.9 | -42.1 | 177.4 | -174.2 | 0 | 0 | 0 | 0 | 110.3 | F241 P242 P243 S247 L248 | F241-V245 HydrophobicContact CE1-CB 3.9Å; F241-V245 HydrophobicContact CE1-CG1 3.66Å; F241-V245 HydrophobicContact CZ-CB 4.27Å; F241-V245 HydrophobicContact CZ-CG1 3.65Å; P242-V245 HydrophobicContact CB-CG2 4.26Å; P242-V245 PolarHBondContact O-N 3.38Å; P243-V245 PolarHBondContact O-N 3.45Å; V245-S247 PolarHBondContact O-N 3Å; V245-L248 PolarHBondContact O-N 3.25Å |
| 246 | A | 95.4 | Very high | 95.6 | Very high | 5 Ų | 5 | 56.7 Ų | 56.7 | 4% | 0.041 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -57.2 | -36.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | W155 F241 P242 P243 L248 I249 V250 | W155-A246 HydrophobicContact CZ2-CB 3.85Å; F241-A246 HydrophobicContact CD1-CB 3.58Å; F241-A246 HydrophobicContact CE1-CB 4.09Å; P242-A246 PolarHBondContact O-N 3.23Å; P243-A246 PolarHBondContact O-N 3.44Å; A246-L248 PolarHBondContact O-N 3.29Å; A246-I249 PolarHBondContact O-N 3.03Å; A246-V250 WeakPolarHBondContact O-CG2 3.45Å; A246-V250 PolarHBondContact O-N 2.86Å |
| 247 | S | 96.3 | Very high | 95.9 | Very high | 42 Ų | 42 | 53 Ų | 53 | 29% | 0.294 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -57.3 | -33 | -179.1 | 77.6 | 0 | 0 | 0 | 0 | 113.7 | P243 A244 V245 I249 V250 V251 | P243-S247 WeakPolarHBondContact O-CB 3.42Å; P243-S247 PolarHBondContact O-N 3.02Å; A244-S247 PolarHBondContact O-OG 2.87Å; V245-S247 PolarHBondContact O-N 3Å; S247-I249 VanDerWaalsContact C-N 3.32Å; S247-I249 PolarHBondContact O-N 3.23Å; S247-V250 PolarHBondContact O-N 3.46Å; S247-V251 VanDerWaalsContact O-CB 3.26Å; S247-V251 WeakPolarHBondContact O-CB 3.37Å; S247-V251 WeakPolarHBondContact O-CG2 3.46Å; S247-V251 PolarHBondContact O-N 3.37Å |
| 248 | L | 95.5 | Very high | 96.1 | Very high | 126 Ų | 126 | 56.4 Ų | 56.4 | 66% | 0.66 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -62.8 | -42.4 | 176.4 | -59.7 | 177.1 | 0 | 0 | 0 | 111 | V245 A246 L252 | V245-L248 PolarHBondContact O-N 3.25Å; A246-L248 PolarHBondContact O-N 3.29Å; L248-L252 WeakPolarHBondContact O-CB 3.36Å; L248-L252 PolarHBondContact O-N 3.3Å; L248-L252 VanDerWaalsContact O-N 3.16Å |
| 249 | I | 94.8 | Very high | 96.2 | Very high | 81 Ų | 81 | 60.4 Ų | 60.4 | 42% | 0.415 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -72.9 | -46.5 | 178.5 | -56.7 | 176.1 | 0 | 0 | 0 | 109.9 | F241 A246 S247 V251 L252 L253 | F241-I249 HydrophobicContact CE1-CD1 4.3Å; A246-I249 PolarHBondContact O-N 3.03Å; S247-I249 VanDerWaalsContact C-N 3.32Å; S247-I249 PolarHBondContact O-N 3.23Å; I249-V251 PolarHBondContact O-N 2.99Å; I249-L252 PolarHBondContact O-N 3.37Å; I249-L253 HydrophobicContact CG2-CD1 3.84Å; I249-L253 HydrophobicContact CG2-CG 4.24Å; I249-L253 WeakPolarHBondContact O-CB 3.39Å; I249-L253 VanDerWaalsContact O-CG 3.27Å; I249-L253 WeakPolarHBondContact O-CG 3.35Å; I249-L253 PolarHBondContact O-N 2.97Å |
| 250 | V | 97.4 | Very high | 96.3 | Very high | 35 Ų | 35 | 63.8 Ų | 63.8 | 21% | 0.212 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -60.3 | -44.6 | 180 | 173.6 | 0 | 0 | 0 | 0 | 111.3 | W155 A246 S247 L253 F254 L274 | W155-V250 HydrophobicContact CH2-CB 4.27Å; W155-V250 HydrophobicContact CH2-CG1 4.48Å; W155-V250 HydrophobicContact CH2-CG2 4.07Å; W155-V250 HydrophobicContact CZ2-CG2 4.44Å; W155-V250 HydrophobicContact CZ3-CB 4.28Å; W155-V250 HydrophobicContact CZ3-CG1 4Å; W155-V250 HydrophobicContact CZ3-CG2 4.2Å; A246-V250 WeakPolarHBondContact O-CG2 3.45Å; A246-V250 PolarHBondContact O-N 2.86Å; S247-V250 PolarHBondContact O-N 3.46Å; V250-L253 PolarHBondContact O-N 3.17Å; V250-F254 WeakPolarHBondContact O-CB 3.48Å; V250-F254 PolarHBondContact O-N 3.44Å; V250-L274 HydrophobicContact CG1-CD1 4.23Å; V250-L274 HydrophobicContact CG2-CD1 3.97Å |
| 251 | V | 97.6 | Very high | 96.3 | Very high | 78 Ų | 78 | 66.1 Ų | 66.1 | 47% | 0.473 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63 | -47.5 | 176.6 | 169.2 | 0 | 0 | 0 | 0 | 110.3 | S247 I249 L253 F254 W255 | S247-V251 VanDerWaalsContact O-CB 3.26Å; S247-V251 WeakPolarHBondContact O-CB 3.37Å; S247-V251 WeakPolarHBondContact O-CG2 3.46Å; S247-V251 PolarHBondContact O-N 3.37Å; I249-V251 PolarHBondContact O-N 2.99Å; V251-L253 PolarHBondContact O-N 2.77Å; V251-F254 PolarHBondContact O-N 3.46Å; V251-W255 PolarHBondContact O-N 3.07Å |
| 252 | L | 97.4 | Very high | 96.4 | Very high | 102 Ų | 102 | 68.9 Ų | 68.9 | 53% | 0.534 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -56.1 | -48.8 | 176.8 | 175.4 | 63.1 | 0 | 0 | 0 | 111.8 | L248 I249 F254 W255 L256 | L248-L252 WeakPolarHBondContact O-CB 3.36Å; L248-L252 PolarHBondContact O-N 3.3Å; L248-L252 VanDerWaalsContact O-N 3.16Å; I249-L252 PolarHBondContact O-N 3.37Å; L252-F254 PolarHBondContact O-N 3.06Å; L252-W255 PolarHBondContact O-N 3.25Å; L252-L256 HydrophobicContact CG-CD1 4.39Å; L252-L256 WeakPolarHBondContact O-CG 3.43Å; L252-L256 PolarHBondContact O-N 2.97Å |
| 253 | L | 97.5 | Very high | 96.5 | Very high | 29 Ų | 29 | 73 Ų | 73 | 15% | 0.152 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -62 | -44.1 | 178.5 | -68.5 | 170.8 | 0 | 0 | 0 | 111.8 | M198 I249 V250 V251 W255 L256 Y257 | M198-L253 HydrophobicContact CE-CD1 3.46Å; M198-L253 VanDerWaalsContact CE-CD1 3.46Å; M198-L253 HydrophobicContact CE-CD2 3.72Å; M198-L253 HydrophobicContact CE-CG 4.23Å; I249-L253 HydrophobicContact CG2-CD1 3.84Å; I249-L253 HydrophobicContact CG2-CG 4.24Å; I249-L253 WeakPolarHBondContact O-CB 3.39Å; I249-L253 VanDerWaalsContact O-CG 3.27Å; I249-L253 WeakPolarHBondContact O-CG 3.35Å; I249-L253 PolarHBondContact O-N 2.97Å; V250-L253 PolarHBondContact O-N 3.17Å; V251-L253 PolarHBondContact O-N 2.77Å; L253-W255 VanDerWaalsContact C-N 3.31Å; L253-W255 PolarHBondContact O-N 2.65Å; L253-L256 WeakPolarHBondContact O-CB 3.48Å; L253-L256 PolarHBondContact O-N 2.81Å; L253-L256 VanDerWaalsContact O-N 3.1Å; L253-Y257 HydrophobicContact CB-CE2 3.87Å; L253-Y257 VanDerWaalsContact O-CD2 3.24Å; L253-Y257 WeakPolarHBondContact O-CD2 3.29Å; L253-Y257 PolarHBondContact O-N 3.17Å |
| 254 | F | 98.2 | Very high | 96.6 | Very high | 52 Ų | 52 | 72.4 Ų | 72.4 | 23% | 0.228 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -59.3 | -41.4 | 176.3 | -174.7 | -96.8 | 0 | 0 | 0 | 112 | L162 V250 V251 L252 L256 Y257 K258 W263 L267 S270 | L162-F254 HydrophobicContact CD2-CE2 3.97Å; V250-F254 WeakPolarHBondContact O-CB 3.48Å; V250-F254 PolarHBondContact O-N 3.44Å; V251-F254 PolarHBondContact O-N 3.46Å; L252-F254 PolarHBondContact O-N 3.06Å; F254-L256 VanDerWaalsContact C-N 3.34Å; F254-L256 PolarHBondContact O-N 3.02Å; F254-Y257 PolarHBondContact O-N 3.09Å; F254-K258 HydrophobicContact CE1-CD 4.45Å; F254-K258 VanDerWaalsContact O-CB 3.22Å; F254-K258 WeakPolarHBondContact O-CB 3.42Å; F254-K258 PolarHBondContact O-N 2.63Å; F254-W263 HydrophobicContact CZ-CH2 4.11Å; F254-W263 HydrophobicContact CZ-CZ3 4.05Å; F254-L267 HydrophobicContact CE2-CD2 4.23Å; F254-L267 HydrophobicContact CZ-CD2 4.22Å; F254-S270 WeakPolarHBondContact CD2-OG 3.34Å |
| 255 | W | 97.9 | Very high | 96.8 | Very high | 150 Ų | 150 | 70.3 Ų | 70.3 | 57% | 0.568 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -63.2 | -38.4 | 174.3 | -82.1 | 105.4 | 0 | 0 | 0 | 112.8 | V251 L252 L253 S259 | V251-W255 PolarHBondContact O-N 3.07Å; L252-W255 PolarHBondContact O-N 3.25Å; L253-W255 VanDerWaalsContact C-N 3.31Å; L253-W255 PolarHBondContact O-N 2.65Å; W255-S259 WeakPolarHBondContact O-CB 3.25Å; W255-S259 PolarHBondContact O-N 3.05Å; W255-S259 PolarHBondContact O-OG 3.06Å |
| 256 | L | 97.9 | Very high | 97.1 | Very high | 96 Ų | 96 | 67.2 Ų | 67.2 | 50% | 0.503 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -67 | -43.7 | 175.7 | -68 | 172.7 | 0 | 0 | 0 | 111.5 | L252 L253 F254 S259 S260 | L252-L256 HydrophobicContact CG-CD1 4.39Å; L252-L256 WeakPolarHBondContact O-CG 3.43Å; L252-L256 PolarHBondContact O-N 2.97Å; L253-L256 WeakPolarHBondContact O-CB 3.48Å; L253-L256 PolarHBondContact O-N 2.81Å; L253-L256 VanDerWaalsContact O-N 3.1Å; F254-L256 VanDerWaalsContact C-N 3.34Å; F254-L256 PolarHBondContact O-N 3.02Å; L256-S259 PolarHBondContact O-N 2.95Å; L256-S260 WeakPolarHBondContact O-CB 3.17Å; L256-S260 PolarHBondContact O-N 2.96Å; L256-S260 PolarHBondContact O-OG 3.45Å |
| 257 | Y | 98.2 | Very high | 97.3 | Very high | 24 Ų | 24 | 67.4 Ų | 67.4 | 9% | 0.094 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -65.3 | -44.9 | 177 | -56 | -29 | 0 | 0 | 0 | 111.4 | L253 F254 S259 S260 M261 F269 S270 | L253-Y257 HydrophobicContact CB-CE2 3.87Å; L253-Y257 VanDerWaalsContact O-CD2 3.24Å; L253-Y257 WeakPolarHBondContact O-CD2 3.29Å; L253-Y257 PolarHBondContact O-N 3.17Å; F254-Y257 PolarHBondContact O-N 3.09Å; Y257-S259 PolarHBondContact O-N 3.23Å; Y257-S260 PolarHBondContact O-N 3.11Å; Y257-S260 PolarHBondContact O-OG 2.9Å; Y257-M261 HydrophobicContact CD1-CE 4.3Å; Y257-M261 WeakPolarHBondContact O-CB 3.08Å; Y257-M261 PolarHBondContact O-N 3.34Å; Y257-F269 HydrophobicContact CD1-CD1 4.24Å; Y257-F269 HydrophobicContact CD1-CE1 4.05Å; Y257-F269 HydrophobicContact CD2-CD1 4.03Å; Y257-F269 HydrophobicContact CD2-CE1 4.32Å; Y257-F269 HydrophobicContact CE1-CD1 4.33Å; Y257-F269 AromaticContact CE1-CE1 3.74Å; Y257-F269 HydrophobicContact CE1-CE1 3.74Å; Y257-F269 HydrophobicContact CE2-CD1 4.09Å; Y257-F269 HydrophobicContact CE2-CE1 4.02Å; Y257-F269 HydrophobicContact CG-CD1 4.11Å; Y257-F269 HydrophobicContact CG-CE1 4.34Å; Y257-F269 AromaticContact CZ-CE1 3.72Å; Y257-S270 WeakPolarHBondContact CD2-OG 3.39Å |
| 258 | K | 97.9 | Very high | 97.4 | Very high | 95 Ų | 95 | 65.4 Ų | 65.4 | 41% | 0.413 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -59 | -35.8 | 175.7 | -178.7 | -178.5 | 175.8 | -177 | 0 | 112.3 | F254 S260 W263 C266 | F254-K258 HydrophobicContact CE1-CD 4.45Å; F254-K258 VanDerWaalsContact O-CB 3.22Å; F254-K258 WeakPolarHBondContact O-CB 3.42Å; F254-K258 PolarHBondContact O-N 2.63Å; K258-S260 VanDerWaalsContact C-N 3.32Å; K258-W263 HydrophobicContact CD-CZ3 4.25Å; K258-W263 HydrophobicContact CG-CZ3 4.39Å; K258-C266 WeakPolarHBondContact CA-SG 3.26Å; K258-C266 PolarHBondContact N-SG 2.89Å |
| 259 | S | 97.6 | Very high | 97.5 | Very high | 101 Ų | 101 | 60.4 Ų | 60.4 | 71% | 0.706 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -77 | -16.5 | 179 | -57.1 | 0 | 0 | 0 | 0 | 113.6 | W255 L256 Y257 | W255-S259 WeakPolarHBondContact O-CB 3.25Å; W255-S259 PolarHBondContact O-N 3.05Å; W255-S259 PolarHBondContact O-OG 3.06Å; L256-S259 PolarHBondContact O-N 2.95Å; Y257-S259 PolarHBondContact O-N 3.23Å |
| 260 | S | 96.9 | Very high | 97.7 | Very high | 85 Ų | 85 | 56.9 Ų | 56.9 | 59% | 0.594 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -115.8 | -15.1 | -172.3 | 53.9 | 0 | 0 | 0 | 0 | 114.7 | L256 Y257 K258 | L256-S260 WeakPolarHBondContact O-CB 3.17Å; L256-S260 PolarHBondContact O-N 2.96Å; L256-S260 PolarHBondContact O-OG 3.45Å; Y257-S260 PolarHBondContact O-N 3.11Å; Y257-S260 PolarHBondContact O-OG 2.9Å; K258-S260 VanDerWaalsContact C-N 3.32Å |
| 261 | M | 96.7 | Very high | 97.8 | Very high | 53 Ų | 53 | 55.2 Ų | 55.2 | 26% | 0.261 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -129.7 | 151.2 | -172.4 | -55.3 | 178.3 | -175.6 | 0 | 0 | 111.6 | Y257 T265 C266 F269 | Y257-M261 HydrophobicContact CD1-CE 4.3Å; Y257-M261 WeakPolarHBondContact O-CB 3.08Å; Y257-M261 PolarHBondContact O-N 3.34Å; M261-T265 HydrophobicContact CB-CG2 4.15Å; M261-T265 HydrophobicContact CG-CG2 4.47Å; M261-T265 HydrophobicContact SD-CG2 4.1Å; M261-C266 HydrophobicContact CB-CB 4.3Å; M261-F269 HydrophobicContact CE-CD1 4Å; M261-F269 HydrophobicContact CE-CD2 4.34Å; M261-F269 HydrophobicContact CE-CE1 4.09Å; M261-F269 HydrophobicContact CE-CE2 4.41Å; M261-F269 HydrophobicContact CE-CG 4.12Å; M261-F269 HydrophobicContact CE-CZ 4.28Å; M261-F269 HydrophobicContact SD-CB 4.07Å; M261-F269 HydrophobicContact SD-CD1 4.18Å; M261-F269 HydrophobicContact SD-CG 4Å |
| 262 | P | 96.3 | Very high | 97.8 | Very high | 89 Ų | 89 | 51.5 Ų | 51.5 | 58% | 0.578 | 27% | 0.265 | S | S | * | . | trans | -54.5 | 151.1 | 166.4 | -23.8 | 34.2 | 0 | 0 | 0 | 111.7 | S264 T265 C266 | P262-S264 PolarHBondContact O-N 2.87Å; P262-T265 WeakPolarHBondContact O-CB 3.25Å; P262-T265 PolarHBondContact O-N 2.9Å; P262-T265 VanDerWaalsContact O-N 3.11Å; P262-C266 PolarHBondContact O-N 2.92Å | ||
| 263 | W | 97 | Very high | 97.9 | Very high | 126 Ų | 126 | 47.1 Ų | 47.1 | 48% | 0.477 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -56.1 | -48.4 | -170.7 | 178.3 | -111.9 | 0 | 0 | 0 | 113.9 | D169 F254 K258 T265 C266 L267 | D169-W263 PolarHBondContact OD2-NE1 3.21Å; F254-W263 HydrophobicContact CZ-CH2 4.11Å; F254-W263 HydrophobicContact CZ-CZ3 4.05Å; K258-W263 HydrophobicContact CD-CZ3 4.25Å; K258-W263 HydrophobicContact CG-CZ3 4.39Å; W263-T265 VanDerWaalsContact C-N 3.34Å; W263-T265 PolarHBondContact O-N 3.37Å; W263-C266 WeakPolarHBondContact O-CB 3.12Å; W263-C266 PolarHBondContact O-N 2.73Å; W263-L267 HydrophobicContact CD2-CD1 4.44Å; W263-L267 HydrophobicContact CD2-CG 4.3Å; W263-L267 HydrophobicContact CH2-CD2 3.8Å; W263-L267 HydrophobicContact CH2-CG 4.45Å; W263-L267 HydrophobicContact CZ2-CD1 3.91Å; W263-L267 HydrophobicContact CZ2-CD2 3.7Å; W263-L267 HydrophobicContact CZ2-CG 4.03Å; W263-L267 HydrophobicContact CZ3-CD2 4.3Å; W263-L267 WeakPolarHBondContact O-CG 3.27Å; W263-L267 PolarHBondContact O-N 3.37Å |
| 264 | S | 96.8 | Very high | 98 | Very high | 6 Ų | 6 | 46 Ų | 46 | 4% | 0.042 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -58.4 | -45.1 | 177 | 55 | 0 | 0 | 0 | 0 | 111.8 | E173 P262 L267 I268 | E173-S264 WeakPolarHBondContact OE1-CB 3.29Å; E173-S264 PolarHBondContact OE1-OG 2.94Å; P262-S264 PolarHBondContact O-N 2.87Å; S264-L267 PolarHBondContact O-N 3.49Å; S264-I268 WeakPolarHBondContact O-CD1 3.36Å; S264-I268 VanDerWaalsContact O-CG1 3.28Å; S264-I268 WeakPolarHBondContact O-CG1 3.43Å; S264-I268 PolarHBondContact O-N 3.29Å |
| 265 | T | 97.8 | Very high | 98 | Very high | 36 Ų | 36 | 46.7 Ų | 46.7 | 22% | 0.221 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.1 | -44.1 | 176.6 | -59.4 | 0 | 0 | 0 | 0 | 111.6 | I187 M261 P262 W263 L267 I268 F269 | I187-T265 HydrophobicContact CD1-CG2 4.18Å; I187-T265 HydrophobicContact CG1-CG2 4.42Å; I187-T265 HydrophobicContact CG2-CG2 4.02Å; M261-T265 HydrophobicContact CB-CG2 4.15Å; M261-T265 HydrophobicContact CG-CG2 4.47Å; M261-T265 HydrophobicContact SD-CG2 4.1Å; P262-T265 WeakPolarHBondContact O-CB 3.25Å; P262-T265 PolarHBondContact O-N 2.9Å; P262-T265 VanDerWaalsContact O-N 3.11Å; W263-T265 VanDerWaalsContact C-N 3.34Å; W263-T265 PolarHBondContact O-N 3.37Å; T265-L267 VanDerWaalsContact C-N 3.34Å; T265-L267 PolarHBondContact O-N 2.91Å; T265-I268 PolarHBondContact O-N 2.98Å; T265-F269 WeakPolarHBondContact O-CB 3.36Å; T265-F269 PolarHBondContact O-N 3.44Å |
| 266 | C | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -57.1 | -47.1 | 177.1 | 174.7 | 0 | 0 | 0 | 0 | 111.3 | K258 M261 P262 W263 S270 | K258-C266 WeakPolarHBondContact CA-SG 3.26Å; K258-C266 PolarHBondContact N-SG 2.89Å; M261-C266 HydrophobicContact CB-CB 4.3Å; P262-C266 PolarHBondContact O-N 2.92Å; W263-C266 WeakPolarHBondContact O-CB 3.12Å; W263-C266 PolarHBondContact O-N 2.73Å; C266-S270 WeakPolarHBondContact O-CB 3.37Å; C266-S270 PolarHBondContact O-N 3.15Å; C266-S270 PolarHBondContact O-OG 2.65Å |
| 267 | L | 98.5 | Very high | 98.1 | Very high | 10 Ų | 10 | 35.7 Ų | 35.7 | 5% | 0.052 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.6 | -49.4 | 179.6 | -68.4 | -176.5 | 0 | 0 | 0 | 112 | L162 F254 W263 S264 T265 S271 | L162-L267 HydrophobicContact CD2-CD2 3.65Å; F254-L267 HydrophobicContact CE2-CD2 4.23Å; F254-L267 HydrophobicContact CZ-CD2 4.22Å; W263-L267 HydrophobicContact CD2-CD1 4.44Å; W263-L267 HydrophobicContact CD2-CG 4.3Å; W263-L267 HydrophobicContact CH2-CD2 3.8Å; W263-L267 HydrophobicContact CH2-CG 4.45Å; W263-L267 HydrophobicContact CZ2-CD1 3.91Å; W263-L267 HydrophobicContact CZ2-CD2 3.7Å; W263-L267 HydrophobicContact CZ2-CG 4.03Å; W263-L267 HydrophobicContact CZ3-CD2 4.3Å; W263-L267 WeakPolarHBondContact O-CG 3.27Å; W263-L267 PolarHBondContact O-N 3.37Å; S264-L267 PolarHBondContact O-N 3.49Å; T265-L267 VanDerWaalsContact C-N 3.34Å; T265-L267 PolarHBondContact O-N 2.91Å; L267-S271 WeakPolarHBondContact O-CB 3.49Å; L267-S271 PolarHBondContact O-N 2.93Å |
| 268 | I | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -68.1 | -42.1 | -178.3 | -59.2 | 164.9 | 0 | 0 | 0 | 111.3 | L170 F184 I187 F188 S264 T265 S271 G272 | L170-I268 HydrophobicContact CB-CD1 4.23Å; L170-I268 HydrophobicContact CD2-CD1 3.63Å; L170-I268 HydrophobicContact CG-CD1 4.44Å; F184-I268 HydrophobicContact CD2-CB 4.5Å; F184-I268 HydrophobicContact CD2-CD1 3.71Å; F184-I268 HydrophobicContact CD2-CG1 3.81Å; F184-I268 HydrophobicContact CD2-CG2 3.84Å; F184-I268 HydrophobicContact CE2-CD1 4.39Å; F184-I268 HydrophobicContact CE2-CG1 3.98Å; F184-I268 HydrophobicContact CE2-CG2 3.89Å; F184-I268 HydrophobicContact CG-CG2 4.37Å; F184-I268 HydrophobicContact CZ-CG2 4.45Å; F184-I268 WeakPolarHBondContact O-CG2 3.43Å; I187-I268 HydrophobicContact CB-CB 4.33Å; I187-I268 HydrophobicContact CB-CG2 3.8Å; I187-I268 HydrophobicContact CD1-CD1 4.48Å; I187-I268 HydrophobicContact CG2-CB 3.78Å; I187-I268 HydrophobicContact CG2-CG2 3.69Å; F188-I268 HydrophobicContact CB-CG2 3.88Å; S264-I268 WeakPolarHBondContact O-CD1 3.36Å; S264-I268 VanDerWaalsContact O-CG1 3.28Å; S264-I268 WeakPolarHBondContact O-CG1 3.43Å; S264-I268 PolarHBondContact O-N 3.29Å; T265-I268 PolarHBondContact O-N 2.98Å; I268-S271 PolarHBondContact O-N 3.43Å; I268-S271 PolarHBondContact O-OG 3.46Å; I268-G272 PolarHBondContact O-N 3.17Å |
| 269 | F | 98.8 | Very high | 98.1 | Very high | 21 Ų | 21 | 32.8 Ų | 32.8 | 9% | 0.092 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65.1 | -45.3 | 178.7 | -174.8 | -89.5 | 0 | 0 | 0 | 110.7 | I187 S190 C194 Y257 M261 T265 S271 G272 N273 | I187-F269 HydrophobicContact CG2-CB 3.81Å; I187-F269 HydrophobicContact CG2-CD2 4.49Å; S190-F269 WeakPolarHBondContact OG-CD2 3.17Å; C194-F269 HydrophobicContact CB-CE1 4.45Å; C194-F269 HydrophobicContact CB-CE2 4.26Å; C194-F269 HydrophobicContact CB-CZ 3.6Å; Y257-F269 HydrophobicContact CD1-CD1 4.24Å; Y257-F269 HydrophobicContact CD1-CE1 4.05Å; Y257-F269 HydrophobicContact CD2-CD1 4.03Å; Y257-F269 HydrophobicContact CD2-CE1 4.32Å; Y257-F269 HydrophobicContact CE1-CD1 4.33Å; Y257-F269 AromaticContact CE1-CE1 3.74Å; Y257-F269 HydrophobicContact CE1-CE1 3.74Å; Y257-F269 HydrophobicContact CE2-CD1 4.09Å; Y257-F269 HydrophobicContact CE2-CE1 4.02Å; Y257-F269 HydrophobicContact CG-CD1 4.11Å; Y257-F269 HydrophobicContact CG-CE1 4.34Å; Y257-F269 AromaticContact CZ-CE1 3.72Å; M261-F269 HydrophobicContact CE-CD1 4Å; M261-F269 HydrophobicContact CE-CD2 4.34Å; M261-F269 HydrophobicContact CE-CE1 4.09Å; M261-F269 HydrophobicContact CE-CE2 4.41Å; M261-F269 HydrophobicContact CE-CG 4.12Å; M261-F269 HydrophobicContact CE-CZ 4.28Å; M261-F269 HydrophobicContact SD-CB 4.07Å; M261-F269 HydrophobicContact SD-CD1 4.18Å; M261-F269 HydrophobicContact SD-CG 4Å; T265-F269 WeakPolarHBondContact O-CB 3.36Å; T265-F269 PolarHBondContact O-N 3.44Å; F269-S271 VanDerWaalsContact C-N 3.31Å; F269-S271 PolarHBondContact O-N 2.99Å; F269-G272 PolarHBondContact O-N 3.35Å; F269-N273 WeakPolarHBondContact O-CB 3.49Å; F269-N273 PolarHBondContact O-N 2.97Å |
| 270 | S | 98.7 | Very high | 98.2 | Very high | 7 Ų | 7 | 28.7 Ų | 28.7 | 5% | 0.049 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.5 | -38.8 | 176.9 | -58.9 | 0 | 0 | 0 | 0 | 111.7 | F254 Y257 C266 L274 | F254-S270 WeakPolarHBondContact CD2-OG 3.34Å; Y257-S270 WeakPolarHBondContact CD2-OG 3.39Å; C266-S270 WeakPolarHBondContact O-CB 3.37Å; C266-S270 PolarHBondContact O-N 3.15Å; C266-S270 PolarHBondContact O-OG 2.65Å; S270-L274 VanDerWaalsContact O-CB 3.24Å; S270-L274 WeakPolarHBondContact O-CB 3.35Å; S270-L274 PolarHBondContact O-N 3.37Å |
| 271 | S | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -67.5 | -42.3 | 177.5 | 76.6 | 0 | 0 | 0 | 0 | 112 | T163 F188 L267 I268 F269 F275 | T163-S271 WeakPolarHBondContact OG1-CB 3.47Å; T163-S271 PolarHBondContact OG1-OG 3.22Å; F188-S271 WeakPolarHBondContact CD2-OG 3.4Å; F188-S271 WeakPolarHBondContact CE2-OG 3.33Å; L267-S271 WeakPolarHBondContact O-CB 3.49Å; L267-S271 PolarHBondContact O-N 2.93Å; I268-S271 PolarHBondContact O-N 3.43Å; I268-S271 PolarHBondContact O-OG 3.46Å; F269-S271 VanDerWaalsContact C-N 3.31Å; F269-S271 PolarHBondContact O-N 2.99Å; S271-F275 WeakPolarHBondContact O-CB 3.48Å; S271-F275 PolarHBondContact O-N 2.91Å |
| 272 | G | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -62.9 | -44.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | F188 I192 I268 F269 F275 G276 | F188-G272 VanDerWaalsContact CE2-CA 3.5Å; F188-G272 WeakPolarHBondContact O-CA 3.3Å; I192-G272 WeakPolarHBondContact CG1-O 3.12Å; I268-G272 PolarHBondContact O-N 3.17Å; F269-G272 PolarHBondContact O-N 3.35Å; G272-F275 PolarHBondContact O-N 3.13Å; G272-G276 PolarHBondContact O-N 3.24Å |
| 273 | N | 98.8 | Very high | 98.3 | Very high | 9 Ų | 9 | 21.1 Ų | 21.1 | 5% | 0.048 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -63.4 | -48.3 | 177.5 | -173.8 | -88.4 | 0 | 0 | 0 | 112.1 | G191 W195 F269 F275 G276 Y277 | G191-N273 VanDerWaalsContact O-CA 3.27Å; G191-N273 WeakPolarHBondContact O-CA 3.4Å; G191-N273 PolarHBondContact O-ND2 3.5Å; W195-N273 WeakPolarHBondContact CB-O 3.34Å; W195-N273 PolarHBondContact N-ND2 3.28Å; F269-N273 WeakPolarHBondContact O-CB 3.49Å; F269-N273 PolarHBondContact O-N 2.97Å; N273-F275 VanDerWaalsContact C-N 3.34Å; N273-F275 PolarHBondContact O-N 2.74Å; N273-G276 WeakPolarHBondContact O-CA 3.44Å; N273-G276 PolarHBondContact O-N 2.99Å; N273-G276 VanDerWaalsContact O-N 3.17Å; N273-Y277 PolarHBondContact O-N 3.41Å |
| 274 | L | 98.7 | Very high | 98.4 | Very high | 7 Ų | 7 | 15.2 Ų | 15.2 | 4% | 0.037 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -66.5 | -36.1 | 178.2 | -176.7 | 64.1 | 0 | 0 | 0 | 112.1 | W155 I158 V159 V250 S270 G276 Y277 V278 | W155-L274 HydrophobicContact CB-CD1 4.33Å; W155-L274 HydrophobicContact CB-CD2 4.45Å; W155-L274 HydrophobicContact CB-CG 4.38Å; W155-L274 HydrophobicContact CD2-CD1 4.06Å; W155-L274 HydrophobicContact CE3-CD1 3.88Å; W155-L274 HydrophobicContact CE3-CD2 3.98Å; W155-L274 HydrophobicContact CE3-CG 4.49Å; W155-L274 HydrophobicContact CG-CD1 4.26Å; I158-L274 HydrophobicContact CB-CD2 4.13Å; I158-L274 HydrophobicContact CG2-CD2 3.75Å; V159-L274 HydrophobicContact CG2-CB 3.96Å; V159-L274 HydrophobicContact CG2-CD2 3.76Å; V159-L274 HydrophobicContact CG2-CG 3.7Å; V250-L274 HydrophobicContact CG1-CD1 4.23Å; V250-L274 HydrophobicContact CG2-CD1 3.97Å; S270-L274 VanDerWaalsContact O-CB 3.24Å; S270-L274 WeakPolarHBondContact O-CB 3.35Å; S270-L274 PolarHBondContact O-N 3.37Å; L274-G276 VanDerWaalsContact C-N 3.34Å; L274-Y277 HydrophobicContact CD1-CD1 3.84Å; L274-Y277 WeakPolarHBondContact O-CB 3.33Å; L274-Y277 PolarHBondContact O-N 2.94Å; L274-V278 WeakPolarHBondContact O-CG2 3.27Å; L274-V278 PolarHBondContact O-N 2.89Å |
| 275 | F | 98.8 | Very high | 98.4 | Very high | 65 Ų | 65 | 16.7 Ų | 16.7 | 29% | 0.285 | 9% | 0.087 | S | C | . | . | H | α-helix | trans | -62.3 | -42.9 | 171.6 | 179.6 | -106.6 | 0 | 0 | 0 | 111.5 | M156 V159 F188 I192 S271 G272 N273 Y277 V278 C279 | M156-F275 HydrophobicContact CE-CD2 4.08Å; M156-F275 HydrophobicContact CE-CE2 4.11Å; M156-F275 HydrophobicContact SD-CD2 3.99Å; M156-F275 HydrophobicContact SD-CE2 4.3Å; V159-F275 HydrophobicContact CG1-CB 3.97Å; V159-F275 HydrophobicContact CG1-CD2 4.3Å; V159-F275 HydrophobicContact CG2-CB 4.27Å; F188-F275 HydrophobicContact CE1-CD1 4.15Å; F188-F275 HydrophobicContact CZ-CB 4.05Å; F188-F275 HydrophobicContact CZ-CD1 4Å; F188-F275 HydrophobicContact CZ-CG 4.08Å; I192-F275 HydrophobicContact CD1-CD1 3.84Å; I192-F275 HydrophobicContact CD1-CE1 4.27Å; I192-F275 HydrophobicContact CG1-CD1 4.19Å; S271-F275 WeakPolarHBondContact O-CB 3.48Å; S271-F275 PolarHBondContact O-N 2.91Å; G272-F275 PolarHBondContact O-N 3.13Å; N273-F275 VanDerWaalsContact C-N 3.34Å; N273-F275 PolarHBondContact O-N 2.74Å; F275-Y277 VanDerWaalsContact C-N 3.29Å; F275-Y277 PolarHBondContact O-N 3.38Å; F275-V278 PolarHBondContact O-N 2.82Å; F275-C279 VanDerWaalsContact CZ-SG 3.58Å; F275-C279 PolarHBondContact O-N 3.48Å; F275-C279 PolarHBondContact O-SG 2.91Å |
| 276 | G | 98.7 | Very high | 98.3 | Very high | 3 Ų | 3 | 20 Ų | 20 | 3% | 0.031 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -53.5 | -45.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | W195 G272 N273 L274 C279 Y280 | W195-G276 VanDerWaalsContact CG-C 3.44Å; W195-G276 PolarHBondContact NE1-O 3.04Å; G272-G276 PolarHBondContact O-N 3.24Å; N273-G276 WeakPolarHBondContact O-CA 3.44Å; N273-G276 PolarHBondContact O-N 2.99Å; N273-G276 VanDerWaalsContact O-N 3.17Å; L274-G276 VanDerWaalsContact C-N 3.34Å; G276-C279 WeakPolarHBondContact O-CB 3.48Å; G276-C279 PolarHBondContact O-N 3.44Å; G276-Y280 WeakPolarHBondContact O-CB 3.47Å; G276-Y280 PolarHBondContact O-N 3.01Å |
| 277 | Y | 98.6 | Very high | 98.1 | Very high | 13 Ų | 13 | 20 Ų | 20 | 5% | 0.051 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -59.3 | -46.7 | 174.6 | 162.7 | -111.3 | 0 | 0 | 0 | 113.2 | V151 W155 W195 F241 N273 L274 F275 C279 Y280 D281 | V151-Y277 HydrophobicContact CG1-CE1 4.03Å; W155-Y277 AromaticContact CD1-CE1 3.53Å; W155-Y277 HydrophobicContact CD2-CE1 4.49Å; W155-Y277 HydrophobicContact CG-CE1 4.15Å; W155-Y277 AromaticContact NE1-CE1 3.52Å; W195-Y277 AromaticContact CH2-CD2 3.38Å; W195-Y277 HydrophobicContact CH2-CD2 3.38Å; W195-Y277 HydrophobicContact CH2-CE2 4.41Å; W195-Y277 AromaticContact CH2-CG 3.96Å; W195-Y277 HydrophobicContact CH2-CG 3.96Å; W195-Y277 AromaticContact CZ2-CD2 3.69Å; W195-Y277 HydrophobicContact CZ2-CD2 3.69Å; W195-Y277 HydrophobicContact CZ2-CG 4.27Å; W195-Y277 AromaticContact CZ3-CD2 3.99Å; W195-Y277 HydrophobicContact CZ3-CD2 3.99Å; W195-Y277 HydrophobicContact CZ3-CG 4.15Å; F241-Y277 PolarHBondContact O-OH 2.86Å; N273-Y277 PolarHBondContact O-N 3.41Å; L274-Y277 HydrophobicContact CD1-CD1 3.84Å; L274-Y277 WeakPolarHBondContact O-CB 3.33Å; L274-Y277 PolarHBondContact O-N 2.94Å; F275-Y277 VanDerWaalsContact C-N 3.29Å; F275-Y277 PolarHBondContact O-N 3.38Å; Y277-C279 VanDerWaalsContact C-N 3.32Å; Y277-C279 PolarHBondContact O-N 3.45Å; Y277-Y280 HydrophobicContact CD2-CD1 4.1Å; Y277-Y280 HydrophobicContact CE2-CD1 4.42Å; Y277-Y280 WeakPolarHBondContact O-CB 3.22Å; Y277-Y280 PolarHBondContact O-N 3.44Å; Y277-D281 HydrophobicContact CE2-CB 4.32Å; Y277-D281 PolarHBondContact O-N 3.47Å; Y277-D281 PolarHBondContact OH-OD2 3.37Å |
| 278 | V | 98.7 | Very high | 97.8 | Very high | 8 Ų | 8 | 19.5 Ų | 19.5 | 5% | 0.048 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -59.7 | -46 | 176.9 | 175.8 | 0 | 0 | 0 | 0 | 110.3 | V151 P152 W155 M156 L274 F275 Y280 D281 M282 | V151-V278 HydrophobicContact CG1-CG2 4.34Å; P152-V278 HydrophobicContact CB-CG1 4.16Å; W155-V278 HydrophobicContact CB-CG2 3.52Å; W155-V278 HydrophobicContact CG-CG2 4.34Å; M156-V278 HydrophobicContact CG-CG1 4.3Å; M156-V278 HydrophobicContact SD-CB 4.38Å; M156-V278 HydrophobicContact SD-CG1 3.99Å; M156-V278 HydrophobicContact SD-CG2 4.38Å; L274-V278 WeakPolarHBondContact O-CG2 3.27Å; L274-V278 PolarHBondContact O-N 2.89Å; F275-V278 PolarHBondContact O-N 2.82Å; V278-Y280 VanDerWaalsContact C-N 3.34Å; V278-Y280 PolarHBondContact O-N 2.92Å; V278-D281 PolarHBondContact O-N 2.95Å; V278-M282 HydrophobicContact CG1-CG 4.32Å; V278-M282 WeakPolarHBondContact O-CB 3.4Å; V278-M282 VanDerWaalsContact O-CG 3.23Å; V278-M282 WeakPolarHBondContact O-CG 3.47Å; V278-M282 PolarHBondContact O-N 3.05Å |
| 279 | C | 98.4 | Very high | 97.5 | Very high | 50 Ų | 50 | 21 Ų | 21 | 34% | 0.338 | 10% | 0.101 | S | C | . | . | H | α-helix | trans | -58.8 | -45.7 | 176.3 | -71.7 | 0 | 0 | 0 | 0 | 111.9 | F275 G276 Y277 D281 M282 V283 | F275-C279 VanDerWaalsContact CZ-SG 3.58Å; F275-C279 PolarHBondContact O-N 3.48Å; F275-C279 PolarHBondContact O-SG 2.91Å; G276-C279 WeakPolarHBondContact O-CB 3.48Å; G276-C279 PolarHBondContact O-N 3.44Å; Y277-C279 VanDerWaalsContact C-N 3.32Å; Y277-C279 PolarHBondContact O-N 3.45Å; C279-D281 PolarHBondContact O-N 2.88Å; C279-M282 PolarHBondContact O-N 3.47Å; C279-V283 WeakPolarHBondContact O-CB 3.42Å; C279-V283 VanDerWaalsContact O-CG2 3.26Å; C279-V283 WeakPolarHBondContact O-CG2 3.47Å; C279-V283 PolarHBondContact O-N 3.1Å |
| 280 | Y | 98.4 | Very high | 97 | Very high | 14 Ų | 14 | 20.5 Ų | 20.5 | 6% | 0.055 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -55 | -52.6 | 176.4 | 153.4 | -97 | 0 | 0 | 0 | 112.2 | W195 E199 G276 Y277 V278 M282 V283 H284 I319 | W195-Y280 HydrophobicContact CH2-CD1 4.33Å; W195-Y280 AromaticContact CZ2-CD1 3.48Å; W195-Y280 HydrophobicContact CZ2-CD1 3.48Å; W195-Y280 VanDerWaalsContact CZ2-CD1 3.48Å; W195-Y280 HydrophobicContact CZ2-CD2 4.46Å; W195-Y280 HydrophobicContact CZ2-CE1 4.15Å; W195-Y280 AromaticContact CZ2-CG 3.66Å; W195-Y280 HydrophobicContact CZ2-CG 3.66Å; W195-Y280 AromaticContact NE1-CG 3.9Å; E199-Y280 HydrophobicContact CG-CD2 3.53Å; E199-Y280 HydrophobicContact CG-CE2 3.61Å; E199-Y280 HydrophobicContact CG-CG 4.35Å; E199-Y280 VanDerWaalsContact OE2-CD2 3.31Å; E199-Y280 WeakPolarHBondContact OE2-CD2 3.45Å; G276-Y280 WeakPolarHBondContact O-CB 3.47Å; G276-Y280 PolarHBondContact O-N 3.01Å; Y277-Y280 HydrophobicContact CD2-CD1 4.1Å; Y277-Y280 HydrophobicContact CE2-CD1 4.42Å; Y277-Y280 WeakPolarHBondContact O-CB 3.22Å; Y277-Y280 PolarHBondContact O-N 3.44Å; V278-Y280 VanDerWaalsContact C-N 3.34Å; V278-Y280 PolarHBondContact O-N 2.92Å; Y280-M282 VanDerWaalsContact C-N 3.29Å; Y280-M282 PolarHBondContact O-N 2.98Å; Y280-V283 PolarHBondContact O-N 2.83Å; Y280-H284 VanDerWaalsContact O-CB 3.32Å; Y280-H284 WeakPolarHBondContact O-CB 3.44Å; Y280-H284 PolarHBondContact O-N 3.35Å; Y280-I319 HydrophobicContact CD2-CB 4.05Å; Y280-I319 HydrophobicContact CD2-CG2 4.18Å; Y280-I319 HydrophobicContact CE2-CB 3.78Å; Y280-I319 HydrophobicContact CE2-CD1 3.5Å; Y280-I319 VanDerWaalsContact CE2-CD1 3.5Å; Y280-I319 HydrophobicContact CE2-CG1 4.12Å; Y280-I319 HydrophobicContact CE2-CG2 4.04Å |
| 281 | D | 97.8 | Very high | 96.5 | Very high | 2 Ų | 2 | 25.1 Ų | 25.1 | 1% | 0.011 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -70 | -32.8 | -172.9 | -137.1 | 0.7 | 0 | 0 | 0 | 110.6 | V151 V240 F241 Y277 V278 C279 Y285 | V151-D281 HydrophobicContact CG1-CB 4.09Å; V151-D281 WeakPolarHBondContact CG2-OD2 3.18Å; V240-D281 WeakPolarHBondContact CA-OD1 3.46Å; F241-D281 PolarHBondContact N-OD2 3.09Å; Y277-D281 HydrophobicContact CE2-CB 4.32Å; Y277-D281 PolarHBondContact O-N 3.47Å; Y277-D281 PolarHBondContact OH-OD2 3.37Å; V278-D281 PolarHBondContact O-N 2.95Å; C279-D281 PolarHBondContact O-N 2.88Å; D281-Y285 WeakPolarHBondContact O-CB 3.35Å; D281-Y285 PolarHBondContact O-N 2.95Å |
| 282 | M | 98.2 | Very high | 96.1 | Very high | 41 Ų | 41 | 25.3 Ų | 25.3 | 20% | 0.202 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -70.6 | -41.3 | 173.8 | -64.9 | -54.1 | 88.1 | 0 | 0 | 112.5 | W148 V151 P152 V240 V278 C279 Y280 Y286 | W148-M282 HydrophobicContact CE3-SD 3.82Å; W148-M282 HydrophobicContact CZ3-SD 4.3Å; W148-M282 WeakPolarHBondContact O-CE 3.24Å; V151-M282 HydrophobicContact CB-CE 3.79Å; V151-M282 HydrophobicContact CG1-CE 4.17Å; V151-M282 HydrophobicContact CG2-CE 4.22Å; P152-M282 HydrophobicContact CG-SD 3.93Å; V240-M282 HydrophobicContact CG1-CE 4.18Å; V278-M282 HydrophobicContact CG1-CG 4.32Å; V278-M282 WeakPolarHBondContact O-CB 3.4Å; V278-M282 VanDerWaalsContact O-CG 3.23Å; V278-M282 WeakPolarHBondContact O-CG 3.47Å; V278-M282 PolarHBondContact O-N 3.05Å; C279-M282 PolarHBondContact O-N 3.47Å; Y280-M282 VanDerWaalsContact C-N 3.29Å; Y280-M282 PolarHBondContact O-N 2.98Å; M282-Y286 VanDerWaalsContact O-CB 3.25Å; M282-Y286 WeakPolarHBondContact O-CB 3.49Å; M282-Y286 PolarHBondContact O-N 3.27Å |
| 283 | V | 98 | Very high | 95.7 | Very high | 25 Ų | 25 | 28.1 Ų | 28.1 | 15% | 0.152 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60.3 | -52.4 | 172.3 | 167.8 | 0 | 0 | 0 | 0 | 108.7 | C279 Y280 Y285 Y286 L287 M298 L301 | C279-V283 WeakPolarHBondContact O-CB 3.42Å; C279-V283 VanDerWaalsContact O-CG2 3.26Å; C279-V283 WeakPolarHBondContact O-CG2 3.47Å; C279-V283 PolarHBondContact O-N 3.1Å; Y280-V283 PolarHBondContact O-N 2.83Å; V283-Y285 VanDerWaalsContact C-N 3.33Å; V283-Y285 PolarHBondContact O-N 2.96Å; V283-Y286 CarbonylContact O-C 3.59Å; V283-Y286 PolarHBondContact O-N 3.33Å; V283-L287 HydrophobicContact CG1-CD1 4.11Å; V283-L287 HydrophobicContact CG1-CD2 4.42Å; V283-L287 HydrophobicContact CG1-CG 4.05Å; V283-L287 VanDerWaalsContact O-CG 3.29Å; V283-L287 WeakPolarHBondContact O-CG 3.46Å; V283-L287 PolarHBondContact O-N 3.19Å; V283-M298 HydrophobicContact CG1-SD 4.21Å; V283-M298 HydrophobicContact CG2-CE 4.09Å; V283-L301 HydrophobicContact CG1-CD1 4.43Å |
| 284 | H | 97.8 | Very high | 95 | Very high | 3 Ų | 3 | 31.8 Ų | 31.8 | 1% | 0.014 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -53.6 | -49.2 | -180 | -168.8 | -161.3 | 0 | 0 | 0 | 112 | H229 L239 Y280 Y286 L287 H288 H305 I319 | H229-H284 AromaticContact CD2-CE1 3.68Å; H229-H284 AromaticContact CD2-NE2 3.79Å; H229-H284 AromaticContact CE1-NE2 3.75Å; H229-H284 AromaticContact NE2-CE1 3.34Å; H229-H284 PolarHBondContact NE2-CE1 3Å; H229-H284 VanDerWaalsContact NE2-CE1 3.34Å; H229-H284 AromaticContact NE2-NE2 3.02Å; H229-H284 PolarHBondContact NE2-NE2 3.24Å; L239-H284 HydrophobicContact CD2-CB 4.18Å; Y280-H284 VanDerWaalsContact O-CB 3.32Å; Y280-H284 WeakPolarHBondContact O-CB 3.44Å; Y280-H284 PolarHBondContact O-N 3.35Å; H284-Y286 VanDerWaalsContact C-N 3.35Å; H284-Y286 PolarHBondContact O-N 3.25Å; H284-L287 PolarHBondContact O-N 3.21Å; H284-H288 AromaticContact CD2-CD2 3.68Å; H284-H288 AromaticContact CD2-NE2 3.86Å; H284-H288 AromaticContact NE2-CD2 3.73Å; H284-H288 AromaticContact NE2-NE2 3.53Å; H284-H288 PolarHBondContact O-CD2 3.37Å; H284-H288 PolarHBondContact O-N 3.03Å; H284-H305 AromaticContact CD2-CD2 3.95Å; H284-H305 AromaticContact CD2-CE1 3.92Å; H284-H305 AromaticContact CD2-NE2 3.33Å; H284-H305 PolarHBondContact CD2-NE2 2.7Å; H284-H305 VanDerWaalsContact CD2-NE2 3.33Å; H284-H305 AromaticContact NE2-CE1 3.59Å; H284-H305 AromaticContact NE2-NE2 3.05Å; H284-H305 PolarHBondContact NE2-NE2 3.5Å; H284-I319 HydrophobicContact CB-CG2 3.72Å |
| 285 | Y | 97 | Very high | 94.5 | Very high | 36 Ų | 36 | 34.1 Ų | 34.1 | 14% | 0.141 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.5 | -43.7 | 176.8 | -172.1 | -94.6 | 0 | 0 | 0 | 112.4 | W148 K236 L239 V240 D281 V283 H288 H289 | W148-Y285 HydrophobicContact CB-CD1 3.64Å; W148-Y285 HydrophobicContact CB-CD2 3.73Å; W148-Y285 HydrophobicContact CB-CE1 3.58Å; W148-Y285 HydrophobicContact CB-CE2 3.68Å; W148-Y285 HydrophobicContact CB-CG 3.71Å; W148-Y285 AromaticContact CD1-CE1 3.67Å; W148-Y285 AromaticContact CD1-CZ 3.7Å; W148-Y285 HydrophobicContact CD2-CE1 4.47Å; W148-Y285 HydrophobicContact CG-CD1 4.01Å; W148-Y285 AromaticContact CG-CE1 3.63Å; W148-Y285 HydrophobicContact CG-CE1 3.63Å; W148-Y285 HydrophobicContact CG-CE2 4.44Å; W148-Y285 AromaticContact CG-CZ 3.87Å; K236-Y285 WeakPolarHBondContact O-CE2 3.36Å; L239-Y285 HydrophobicContact CB-CD2 4.37Å; L239-Y285 HydrophobicContact CD1-CD2 4.17Å; L239-Y285 HydrophobicContact CD2-CD2 4.16Å; L239-Y285 HydrophobicContact CG-CD2 4.49Å; V240-Y285 HydrophobicContact CG1-CD2 4.02Å; V240-Y285 HydrophobicContact CG1-CG 4.39Å; D281-Y285 WeakPolarHBondContact O-CB 3.35Å; D281-Y285 PolarHBondContact O-N 2.95Å; V283-Y285 VanDerWaalsContact C-N 3.33Å; V283-Y285 PolarHBondContact O-N 2.96Å; Y285-H288 PolarHBondContact O-N 3.39Å; Y285-H289 HydrophobicContact CD1-CB 4.48Å; Y285-H289 AromaticContact CD2-ND1 3.57Å; Y285-H289 HydrophobicContact CE1-CB 4.05Å; Y285-H289 AromaticContact CE2-CE1 3.77Å; Y285-H289 AromaticContact CE2-ND1 3.36Å; Y285-H289 WeakPolarHBondContact CE2-ND1 3.3Å; Y285-H289 AromaticContact CG-ND1 3.99Å; Y285-H289 AromaticContact CZ-ND1 3.63Å; Y285-H289 PolarHBondContact O-N 3.47Å; Y285-H289 PolarHBondContact O-ND1 2.97Å |
| 286 | Y | 95.7 | Very high | 94.3 | Very high | 105 Ų | 105 | 33.7 Ų | 33.7 | 41% | 0.412 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -68.1 | -33.1 | 179.3 | -175.1 | -114.5 | 0 | 0 | 0 | 112.8 | M282 V283 H284 H288 G290 P292 M298 | M282-Y286 VanDerWaalsContact O-CB 3.25Å; M282-Y286 WeakPolarHBondContact O-CB 3.49Å; M282-Y286 PolarHBondContact O-N 3.27Å; V283-Y286 CarbonylContact O-C 3.59Å; V283-Y286 PolarHBondContact O-N 3.33Å; H284-Y286 VanDerWaalsContact C-N 3.35Å; H284-Y286 PolarHBondContact O-N 3.25Å; Y286-H288 VanDerWaalsContact C-N 3.31Å; Y286-H288 PolarHBondContact O-N 2.88Å; Y286-G290 WeakPolarHBondContact O-CA 3.32Å; Y286-G290 PolarHBondContact O-N 3.39Å; Y286-P292 HydrophobicContact CD1-CG 4.31Å; Y286-P292 HydrophobicContact CE1-CB 4.27Å; Y286-P292 HydrophobicContact CE1-CG 3.74Å; Y286-M298 HydrophobicContact CE1-CB 4.35Å |
| 287 | L | 94.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.1 | -38.5 | 175 | -64.4 | -172.6 | 0 | 0 | 0 | 111.4 | V283 H284 M298 L301 K302 H305 Y306 I319 | V283-L287 HydrophobicContact CG1-CD1 4.11Å; V283-L287 HydrophobicContact CG1-CD2 4.42Å; V283-L287 HydrophobicContact CG1-CG 4.05Å; V283-L287 VanDerWaalsContact O-CG 3.29Å; V283-L287 WeakPolarHBondContact O-CG 3.46Å; V283-L287 PolarHBondContact O-N 3.19Å; H284-L287 PolarHBondContact O-N 3.21Å; L287-M298 WeakPolarHBondContact CD2-O 3.38Å; L287-M298 HydrophobicContact CD2-SD 4.32Å; L287-L301 HydrophobicContact CD1-CB 4Å; L287-L301 HydrophobicContact CD2-CB 3.84Å; L287-K302 HydrophobicContact CD2-CB 4.09Å; L287-K302 VanDerWaalsContact O-CD 3.25Å; L287-K302 WeakPolarHBondContact O-CD 3.14Å; L287-K302 WeakPolarHBondContact O-CE 3.43Å; L287-K302 WeakPolarHBondContact O-CG 3.45Å; L287-H305 HydrophobicContact CD1-CB 3.91Å; L287-Y306 WeakPolarHBondContact O-CE2 3.42Å; L287-I319 HydrophobicContact CD1-CG2 4.24Å |
| 288 | H | 92.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -79 | -42.2 | 178.1 | -77.8 | -80.2 | 0 | 0 | 0 | 113.7 | H229 L239 H284 Y285 Y286 H305 Y306 H309 | H229-H288 AromaticContact CE1-CD2 3.68Å; H229-H288 AromaticContact CE1-CE1 3.62Å; H229-H288 AromaticContact CE1-NE2 3.25Å; H229-H288 PolarHBondContact CE1-NE2 3.36Å; H229-H288 VanDerWaalsContact CE1-NE2 3.25Å; H229-H288 AromaticContact NE2-CD2 3.94Å; H229-H288 AromaticContact NE2-CE1 3.79Å; H229-H288 AromaticContact NE2-NE2 3.21Å; H229-H288 PolarHBondContact NE2-NE2 2.93Å; L239-H288 HydrophobicContact CD1-CB 3.62Å; H284-H288 AromaticContact CD2-CD2 3.68Å; H284-H288 AromaticContact CD2-NE2 3.86Å; H284-H288 AromaticContact NE2-CD2 3.73Å; H284-H288 AromaticContact NE2-NE2 3.53Å; H284-H288 PolarHBondContact O-CD2 3.37Å; H284-H288 PolarHBondContact O-N 3.03Å; Y285-H288 PolarHBondContact O-N 3.39Å; Y286-H288 VanDerWaalsContact C-N 3.31Å; Y286-H288 PolarHBondContact O-N 2.88Å; H288-H305 AromaticContact CD2-CD2 3.89Å; H288-H305 AromaticContact CD2-NE2 3.84Å; H288-H305 AromaticContact CE1-CD2 3.96Å; H288-H305 AromaticContact CE1-NE2 3.87Å; H288-H305 AromaticContact NE2-CD2 3.23Å; H288-H305 PolarHBondContact NE2-CD2 3.28Å; H288-H305 AromaticContact NE2-NE2 2.97Å; H288-H305 PolarHBondContact NE2-NE2 2.91Å; H288-Y306 PolarHBondContact O-OH 3.28Å; H288-Y306 VanDerWaalsContact O-OH 3.1Å; H288-H309 AromaticContact CE1-CD2 3.48Å; H288-H309 PolarHBondContact CE1-CD2 3.42Å; H288-H309 VanDerWaalsContact CE1-CD2 3.48Å; H288-H309 AromaticContact CE1-CE1 3.97Å; H288-H309 AromaticContact CE1-NE2 3.39Å; H288-H309 PolarHBondContact CE1-NE2 2.88Å; H288-H309 AromaticContact NE2-CD2 3.72Å; H288-H309 AromaticContact NE2-NE2 3.33Å; H288-H309 PolarHBondContact NE2-NE2 3.49Å |
| 289 | H | 91.1 | Very high | 93.5 | Very high | 32 Ų | 32 | 41.5 Ų | 41.5 | 15% | 0.148 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -113.6 | -8.7 | -166.7 | -57.3 | 105.1 | 0 | 0 | 0 | 115.1 | K236 L239 Y285 | K236-H289 WeakPolarHBondContact CG-CD2 3.45Å; K236-H289 VanDerWaalsContact CG-NE2 3.28Å; K236-H289 WeakPolarHBondContact CG-NE2 3.47Å; L239-H289 VanDerWaalsContact CD1-CE1 3.45Å; L239-H289 WeakPolarHBondContact CD1-CE1 3.48Å; Y285-H289 HydrophobicContact CD1-CB 4.48Å; Y285-H289 AromaticContact CD2-ND1 3.57Å; Y285-H289 HydrophobicContact CE1-CB 4.05Å; Y285-H289 AromaticContact CE2-CE1 3.77Å; Y285-H289 AromaticContact CE2-ND1 3.36Å; Y285-H289 WeakPolarHBondContact CE2-ND1 3.3Å; Y285-H289 AromaticContact CG-ND1 3.99Å; Y285-H289 AromaticContact CZ-ND1 3.63Å; Y285-H289 PolarHBondContact O-N 3.47Å; Y285-H289 PolarHBondContact O-ND1 2.97Å |
| 290 | G | 89.7 | Confident | 93.3 | Very high | 11 Ų | 11 | 43 Ų | 43 | 11% | 0.113 | 23% | 0.233 | C | C | . | . | trans | -93 | 168.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y286 P292 K302 | Y286-G290 WeakPolarHBondContact O-CA 3.32Å; Y286-G290 PolarHBondContact O-N 3.39Å; G290-P292 VanDerWaalsContact C-CD 3.46Å; G290-P292 WeakPolarHBondContact O-CD 3.35Å; G290-K302 PolarHBondContact O-NZ 3.38Å | ||
| 291 | E | 87.6 | Confident | 93.1 | Very high | 103 Ų | 103 | 42.5 Ų | 42.5 | 48% | 0.481 | 23% | 0.232 | S | C | . | . | trans | -118.4 | 78.5 | 171.9 | -169.4 | 165.8 | -155.8 | 0 | 0 | 109.2 | A42 A293 | A42-E291 PolarHBondContact N-OE1 2.73Å; E291-A293 PolarHBondContact O-N 3.06Å | ||
| 292 | P | 90.2 | Very high | 92.9 | Very high | 4 Ų | 4 | 42.6 Ų | 42.6 | 3% | 0.026 | 23% | 0.232 | C | C | . | . | P | Polyproline II helix | trans | -55.9 | 137.1 | 173.3 | -21.6 | 31.4 | 0 | 0 | 0 | 110.6 | Y286 G290 M298 H299 K302 | Y286-P292 HydrophobicContact CD1-CG 4.31Å; Y286-P292 HydrophobicContact CE1-CB 4.27Å; Y286-P292 HydrophobicContact CE1-CG 3.74Å; G290-P292 VanDerWaalsContact C-CD 3.46Å; G290-P292 WeakPolarHBondContact O-CD 3.35Å; P292-M298 HydrophobicContact CB-CB 3.77Å; P292-M298 HydrophobicContact CG-CB 4.06Å; P292-H299 HydrophobicContact CB-CB 4.01Å; P292-H299 PolarHBondContact O-ND1 3.38Å; P292-K302 HydrophobicContact CG-CB 4.37Å; P292-K302 HydrophobicContact CG-CD 4.23Å |
| 293 | A | 89.7 | Confident | 92.6 | Very high | 59 Ų | 59 | 42.6 Ų | 42.6 | 49% | 0.488 | 23% | 0.231 | S | C | . | . | P | Polyproline II helix | trans | -61.1 | 135 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | E291 G295 T296 H299 | E291-A293 PolarHBondContact O-N 3.06Å; A293-G295 PolarHBondContact O-N 2.87Å; A293-T296 HydrophobicContact CB-CG2 3.9Å; A293-T296 WeakPolarHBondContact O-CB 3.15Å; A293-T296 VanDerWaalsContact O-CG2 3.28Å; A293-T296 WeakPolarHBondContact O-CG2 3.44Å; A293-T296 PolarHBondContact O-N 3.33Å; A293-T296 VanDerWaalsContact O-N 3.15Å; A293-T296 PolarHBondContact O-OG1 3.24Å; A293-H299 VanDerWaalsContact O-CB 3.29Å; A293-H299 WeakPolarHBondContact O-CB 3.4Å |
| 294 | P | 85.8 | Confident | 92.5 | Very high | 87 Ų | 87 | 41.4 Ų | 41.4 | 57% | 0.565 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.5 | 135.6 | 179.8 | -29.3 | 35.6 | 0 | 0 | 0 | 113.1 | T296 | P294-T296 VanDerWaalsContact C-N 3.31Å; P294-T296 PolarHBondContact O-N 3.44Å |
| 295 | G | 87.1 | Confident | 92.4 | Very high | 55 Ų | 55 | 41.3 Ų | 41.3 | 57% | 0.567 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 85 | -8.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | A293 H300 | A293-G295 PolarHBondContact O-N 2.87Å; G295-H300 PolarHBondContact O-CE1 2.94Å; G295-H300 VanDerWaalsContact O-CE1 3.31Å |
| 296 | T | 93.7 | Very high | 92.2 | Very high | 57 Ų | 57 | 39.8 Ų | 39.8 | 35% | 0.35 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -74.5 | 161.8 | 173 | 63.9 | 0 | 0 | 0 | 0 | 112.3 | A293 P294 M298 H299 H300 | A293-T296 HydrophobicContact CB-CG2 3.9Å; A293-T296 WeakPolarHBondContact O-CB 3.15Å; A293-T296 VanDerWaalsContact O-CG2 3.28Å; A293-T296 WeakPolarHBondContact O-CG2 3.44Å; A293-T296 PolarHBondContact O-N 3.33Å; A293-T296 VanDerWaalsContact O-N 3.15Å; A293-T296 PolarHBondContact O-OG1 3.24Å; P294-T296 VanDerWaalsContact C-N 3.31Å; P294-T296 PolarHBondContact O-N 3.44Å; T296-M298 VanDerWaalsContact C-N 3.3Å; T296-M298 PolarHBondContact O-N 3.45Å; T296-H299 WeakPolarHBondContact O-CB 3.29Å; T296-H299 PolarHBondContact O-N 2.88Å; T296-H299 VanDerWaalsContact O-N 3.14Å; T296-H299 PolarHBondContact OG1-N 3.43Å; T296-H300 PolarHBondContact O-N 2.95Å; T296-H300 VanDerWaalsContact O-N 3.09Å; T296-H300 PolarHBondContact O-ND1 3.43Å; T296-H300 VanDerWaalsContact O-ND1 3.1Å |
| 297 | Y | 95.1 | Very high | 92.1 | Very high | 122 Ų | 122 | 35.9 Ų | 35.9 | 48% | 0.478 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -55 | -43.9 | 173.3 | 175 | -107.4 | 0 | 0 | 0 | 112.4 | H299 H300 L301 S320 S321 | Y297-H299 VanDerWaalsContact C-N 3.31Å; Y297-H299 PolarHBondContact O-N 2.88Å; Y297-H300 PolarHBondContact O-N 3.46Å; Y297-L301 HydrophobicContact CD1-CD1 3.95Å; Y297-L301 HydrophobicContact CD1-CG 4.39Å; Y297-L301 HydrophobicContact CE1-CD1 3.27Å; Y297-L301 HydrophobicContact CE1-CG 3.92Å; Y297-L301 HydrophobicContact CE2-CD1 4.35Å; Y297-L301 HydrophobicContact CE2-CD2 4.34Å; Y297-L301 HydrophobicContact CE2-CG 4.16Å; Y297-L301 PolarHBondContact O-N 3.41Å; Y297-S320 PolarHBondContact OH-O 3.24Å; Y297-S321 VanDerWaalsContact OH-CA 3.31Å; Y297-S321 WeakPolarHBondContact OH-CA 3.41Å; Y297-S321 VanDerWaalsContact OH-CB 3.3Å; Y297-S321 WeakPolarHBondContact OH-CB 3.33Å |
| 298 | M | 94.7 | Very high | 92.1 | Very high | 56 Ų | 56 | 35.9 Ų | 35.9 | 28% | 0.276 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -65.5 | -32.7 | 177.9 | -71.1 | -61.8 | 154.3 | 0 | 0 | 112.8 | V283 Y286 L287 P292 T296 L301 K302 | V283-M298 HydrophobicContact CG1-SD 4.21Å; V283-M298 HydrophobicContact CG2-CE 4.09Å; Y286-M298 HydrophobicContact CE1-CB 4.35Å; L287-M298 WeakPolarHBondContact CD2-O 3.38Å; L287-M298 HydrophobicContact CD2-SD 4.32Å; P292-M298 HydrophobicContact CB-CB 3.77Å; P292-M298 HydrophobicContact CG-CB 4.06Å; T296-M298 VanDerWaalsContact C-N 3.3Å; T296-M298 PolarHBondContact O-N 3.45Å; M298-L301 HydrophobicContact CE-CD1 4.21Å; M298-L301 PolarHBondContact O-N 2.95Å; M298-L301 HydrophobicContact SD-CD1 3.99Å; M298-K302 WeakPolarHBondContact O-CB 3.34Å; M298-K302 PolarHBondContact O-N 3.01Å |
| 299 | H | 90.8 | Very high | 92.2 | Very high | 10 Ų | 10 | 36 Ų | 36 | 5% | 0.046 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66.8 | -41.6 | 173 | -171.6 | 72.9 | 0 | 0 | 0 | 112.1 | P292 A293 T296 Y297 K302 K303 | P292-H299 HydrophobicContact CB-CB 4.01Å; P292-H299 PolarHBondContact O-ND1 3.38Å; A293-H299 VanDerWaalsContact O-CB 3.29Å; A293-H299 WeakPolarHBondContact O-CB 3.4Å; T296-H299 WeakPolarHBondContact O-CB 3.29Å; T296-H299 PolarHBondContact O-N 2.88Å; T296-H299 VanDerWaalsContact O-N 3.14Å; T296-H299 PolarHBondContact OG1-N 3.43Å; Y297-H299 VanDerWaalsContact C-N 3.31Å; Y297-H299 PolarHBondContact O-N 2.88Å; H299-K302 PolarHBondContact O-N 3.46Å; H299-K303 WeakPolarHBondContact NE2-CE 3.24Å; H299-K303 PolarHBondContact O-N 3Å; H299-K303 VanDerWaalsContact O-N 3.13Å |
| 300 | H | 93.3 | Very high | 92.1 | Very high | 81 Ų | 81 | 35.8 Ų | 35.8 | 38% | 0.375 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -64.1 | -42.5 | 174.2 | -64.1 | 126.2 | 0 | 0 | 0 | 111.9 | G295 T296 Y297 K302 K303 Y304 Y334 | G295-H300 PolarHBondContact O-CE1 2.94Å; G295-H300 VanDerWaalsContact O-CE1 3.31Å; T296-H300 PolarHBondContact O-N 2.95Å; T296-H300 VanDerWaalsContact O-N 3.09Å; T296-H300 PolarHBondContact O-ND1 3.43Å; T296-H300 VanDerWaalsContact O-ND1 3.1Å; Y297-H300 PolarHBondContact O-N 3.46Å; H300-K302 VanDerWaalsContact C-N 3.33Å; H300-K302 PolarHBondContact O-N 3.06Å; H300-K303 PolarHBondContact O-N 3.49Å; H300-Y304 WeakPolarHBondContact O-CB 3.27Å; H300-Y304 PolarHBondContact O-N 2.85Å; H300-Y334 HydrophobicContact CB-CD1 4.28Å |
| 301 | L | 95.5 | Very high | 92.1 | Very high | 4 Ų | 4 | 40.4 Ų | 40.4 | 2% | 0.021 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.2 | -39.1 | 173.3 | -74.7 | -176.4 | 0 | 0 | 0 | 112.4 | V283 L287 Y297 M298 K303 Y304 H305 S320 | V283-L301 HydrophobicContact CG1-CD1 4.43Å; L287-L301 HydrophobicContact CD1-CB 4Å; L287-L301 HydrophobicContact CD2-CB 3.84Å; Y297-L301 HydrophobicContact CD1-CD1 3.95Å; Y297-L301 HydrophobicContact CD1-CG 4.39Å; Y297-L301 HydrophobicContact CE1-CD1 3.27Å; Y297-L301 HydrophobicContact CE1-CG 3.92Å; Y297-L301 HydrophobicContact CE2-CD1 4.35Å; Y297-L301 HydrophobicContact CE2-CD2 4.34Å; Y297-L301 HydrophobicContact CE2-CG 4.16Å; Y297-L301 PolarHBondContact O-N 3.41Å; M298-L301 HydrophobicContact CE-CD1 4.21Å; M298-L301 PolarHBondContact O-N 2.95Å; M298-L301 HydrophobicContact SD-CD1 3.99Å; L301-K303 PolarHBondContact O-N 2.95Å; L301-Y304 PolarHBondContact O-N 3.22Å; L301-H305 WeakPolarHBondContact O-CB 3.27Å; L301-H305 PolarHBondContact O-N 3.46Å; L301-S320 WeakPolarHBondContact CD1-O 3.28Å |
| 302 | K | 93.4 | Very high | 92.3 | Very high | 4 Ų | 4 | 38.4 Ų | 38.4 | 2% | 0.017 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -57.9 | -50.5 | 176.5 | 178.2 | 167 | -173.9 | 171.1 | 0 | 110.3 | L287 G290 P292 M298 H299 H300 Y304 H305 Y306 | L287-K302 HydrophobicContact CD2-CB 4.09Å; L287-K302 VanDerWaalsContact O-CD 3.25Å; L287-K302 WeakPolarHBondContact O-CD 3.14Å; L287-K302 WeakPolarHBondContact O-CE 3.43Å; L287-K302 WeakPolarHBondContact O-CG 3.45Å; G290-K302 PolarHBondContact O-NZ 3.38Å; P292-K302 HydrophobicContact CG-CB 4.37Å; P292-K302 HydrophobicContact CG-CD 4.23Å; M298-K302 WeakPolarHBondContact O-CB 3.34Å; M298-K302 PolarHBondContact O-N 3.01Å; H299-K302 PolarHBondContact O-N 3.46Å; H300-K302 VanDerWaalsContact C-N 3.33Å; H300-K302 PolarHBondContact O-N 3.06Å; K302-Y304 PolarHBondContact O-N 3.25Å; K302-H305 PolarHBondContact O-N 2.67Å; K302-Y306 HydrophobicContact CD-CE2 4.43Å; K302-Y306 HydrophobicContact CG-CD2 3.92Å; K302-Y306 HydrophobicContact CG-CE2 3.86Å; K302-Y306 WeakPolarHBondContact O-CB 3.45Å; K302-Y306 WeakPolarHBondContact O-CD2 3.21Å; K302-Y306 PolarHBondContact O-N 3.31Å |
| 303 | K | 91.8 | Very high | 92.4 | Very high | 40 Ų | 40 | 39.6 Ų | 39.6 | 17% | 0.174 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.6 | -42.6 | 175.8 | -66 | -174.1 | 169.2 | -148.8 | 0 | 113.1 | H299 H300 L301 Y306 N307 Y334 Q335 | H299-K303 WeakPolarHBondContact NE2-CE 3.24Å; H299-K303 PolarHBondContact O-N 3Å; H299-K303 VanDerWaalsContact O-N 3.13Å; H300-K303 PolarHBondContact O-N 3.49Å; L301-K303 PolarHBondContact O-N 2.95Å; K303-Y306 PolarHBondContact O-N 2.91Å; K303-N307 PolarHBondContact O-N 3.18Å; K303-N307 PolarHBondContact O-ND2 3.34Å; K303-Y334 WeakPolarHBondContact CD-O 3.35Å; K303-Q335 PolarHBondContact NZ-OXT 2.86Å |
| 304 | Y | 95.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.3 | -47.7 | 179.7 | -170.7 | -106.1 | 0 | 0 | 0 | 111.6 | H300 L301 K302 N307 H308 A316 A322 D325 V331 G332 S333 Y334 | H300-Y304 WeakPolarHBondContact O-CB 3.27Å; H300-Y304 PolarHBondContact O-N 2.85Å; L301-Y304 PolarHBondContact O-N 3.22Å; K302-Y304 PolarHBondContact O-N 3.25Å; Y304-N307 PolarHBondContact O-N 2.85Å; Y304-H308 PolarHBondContact O-N 3.38Å; Y304-A316 HydrophobicContact CD1-CB 3.64Å; Y304-A316 HydrophobicContact CD2-CB 4.24Å; Y304-A316 VanDerWaalsContact CE1-CA 3.48Å; Y304-A316 HydrophobicContact CE1-CB 3.24Å; Y304-A316 HydrophobicContact CE2-CB 3.89Å; Y304-A316 HydrophobicContact CG-CB 4.12Å; Y304-A316 WeakPolarHBondContact OH-CA 3.49Å; Y304-A322 HydrophobicContact CE1-CB 3.84Å; Y304-A322 HydrophobicContact CE2-CB 4.43Å; Y304-D325 WeakPolarHBondContact CE1-OD2 3.45Å; Y304-D325 VanDerWaalsContact OH-CB 3.24Å; Y304-D325 WeakPolarHBondContact OH-CB 3.39Å; Y304-D325 PolarHBondContact OH-OD2 3.43Å; Y304-V331 HydrophobicContact CE2-CG1 4.34Å; Y304-V331 WeakPolarHBondContact OH-CA 3.26Å; Y304-G332 PolarHBondContact OH-N 3.34Å; Y304-G332 VanDerWaalsContact OH-N 3.16Å; Y304-S333 WeakPolarHBondContact CA-O 3.49Å; Y304-Y334 AromaticContact CD2-CD1 3.78Å; Y304-Y334 HydrophobicContact CD2-CD1 3.78Å; Y304-Y334 HydrophobicContact CD2-CD2 4.1Å; Y304-Y334 AromaticContact CD2-CE1 3.52Å; Y304-Y334 HydrophobicContact CD2-CE1 3.52Å; Y304-Y334 AromaticContact CD2-CE2 3.87Å; Y304-Y334 HydrophobicContact CD2-CE2 3.87Å; Y304-Y334 HydrophobicContact CD2-CG 4.06Å; Y304-Y334 AromaticContact CD2-CZ 3.58Å; Y304-Y334 HydrophobicContact CE2-CD2 4.46Å; Y304-Y334 HydrophobicContact CE2-CE1 4.21Å; Y304-Y334 AromaticContact CE2-CE2 3.92Å; Y304-Y334 HydrophobicContact CE2-CE2 3.92Å; Y304-Y334 AromaticContact CE2-CZ 3.79Å; Y304-Y334 HydrophobicContact CG-CD1 4.2Å; Y304-Y334 AromaticContact CG-CE1 3.87Å; Y304-Y334 HydrophobicContact CG-CE1 3.87Å |
| 305 | H | 96.1 | Very high | 93.2 | Very high | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -73.2 | -32.9 | 178 | -171.3 | 61 | 0 | 0 | 0 | 113 | H284 L287 H288 L301 K302 N307 H308 H309 | H284-H305 AromaticContact CD2-CD2 3.95Å; H284-H305 AromaticContact CD2-CE1 3.92Å; H284-H305 AromaticContact CD2-NE2 3.33Å; H284-H305 PolarHBondContact CD2-NE2 2.7Å; H284-H305 VanDerWaalsContact CD2-NE2 3.33Å; H284-H305 AromaticContact NE2-CE1 3.59Å; H284-H305 AromaticContact NE2-NE2 3.05Å; H284-H305 PolarHBondContact NE2-NE2 3.5Å; L287-H305 HydrophobicContact CD1-CB 3.91Å; H288-H305 AromaticContact CD2-CD2 3.89Å; H288-H305 AromaticContact CD2-NE2 3.84Å; H288-H305 AromaticContact CE1-CD2 3.96Å; H288-H305 AromaticContact CE1-NE2 3.87Å; H288-H305 AromaticContact NE2-CD2 3.23Å; H288-H305 PolarHBondContact NE2-CD2 3.28Å; H288-H305 AromaticContact NE2-NE2 2.97Å; H288-H305 PolarHBondContact NE2-NE2 2.91Å; L301-H305 WeakPolarHBondContact O-CB 3.27Å; L301-H305 PolarHBondContact O-N 3.46Å; K302-H305 PolarHBondContact O-N 2.67Å; H305-N307 VanDerWaalsContact C-N 3.34Å; H305-N307 PolarHBondContact O-N 3.23Å; H305-H308 VanDerWaalsContact O-CB 3.24Å; H305-H308 WeakPolarHBondContact O-CB 3.22Å; H305-H308 PolarHBondContact O-N 2.95Å; H305-H309 AromaticContact CD2-CD2 3.73Å; H305-H309 AromaticContact CD2-NE2 3.9Å; H305-H309 AromaticContact CE1-CD2 3.71Å; H305-H309 AromaticContact CE1-NE2 3.45Å; H305-H309 PolarHBondContact CE1-NE2 3.1Å; H305-H309 AromaticContact NE2-CD2 3.29Å; H305-H309 PolarHBondContact NE2-CD2 2.82Å; H305-H309 VanDerWaalsContact NE2-CD2 3.29Å; H305-H309 AromaticContact NE2-NE2 3.01Å; H305-H309 PolarHBondContact NE2-NE2 3.05Å; H305-H309 PolarHBondContact O-CD2 2.9Å; H305-H309 PolarHBondContact O-N 3.22Å |
| 306 | Y | 92.6 | Very high | 93.7 | Very high | 5 Ų | 5 | 38.9 Ų | 38.9 | 2% | 0.02 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66.7 | -36.1 | 171.7 | -90.3 | -120.7 | 0 | 0 | 0 | 111.8 | L37 P39 M234 L287 H288 K302 K303 H308 H309 F310 | L37-Y306 PolarHBondContact O-OH 2.95Å; P39-Y306 HydrophobicContact CB-CD1 3.28Å; P39-Y306 HydrophobicContact CB-CE1 3.73Å; P39-Y306 HydrophobicContact CB-CG 3.86Å; P39-Y306 HydrophobicContact CG-CD1 3.45Å; P39-Y306 VanDerWaalsContact CG-CD1 3.45Å; P39-Y306 HydrophobicContact CG-CE1 3.82Å; P39-Y306 HydrophobicContact CG-CG 4.43Å; M234-Y306 HydrophobicContact CE-CE1 3.7Å; M234-Y306 WeakPolarHBondContact CE-OH 3.37Å; L287-Y306 WeakPolarHBondContact O-CE2 3.42Å; H288-Y306 PolarHBondContact O-OH 3.28Å; H288-Y306 VanDerWaalsContact O-OH 3.1Å; K302-Y306 HydrophobicContact CD-CE2 4.43Å; K302-Y306 HydrophobicContact CG-CD2 3.92Å; K302-Y306 HydrophobicContact CG-CE2 3.86Å; K302-Y306 WeakPolarHBondContact O-CB 3.45Å; K302-Y306 WeakPolarHBondContact O-CD2 3.21Å; K302-Y306 PolarHBondContact O-N 3.31Å; K303-Y306 PolarHBondContact O-N 2.91Å; Y306-H308 PolarHBondContact O-N 3.4Å; Y306-H309 PolarHBondContact O-N 2.9Å; Y306-H309 VanDerWaalsContact O-N 3.15Å; Y306-F310 AromaticContact CD1-CD2 3.64Å; Y306-F310 HydrophobicContact CD1-CD2 3.64Å; Y306-F310 AromaticContact CD1-CE2 3.35Å; Y306-F310 HydrophobicContact CD1-CE2 3.35Å; Y306-F310 HydrophobicContact CD1-CZ 4.49Å; Y306-F310 HydrophobicContact CE1-CD2 4.49Å; Y306-F310 AromaticContact CE1-CE2 3.8Å; Y306-F310 HydrophobicContact CE1-CE2 3.8Å; Y306-F310 HydrophobicContact CG-CD2 4.1Å; Y306-F310 AromaticContact CG-CE2 3.99Å; Y306-F310 HydrophobicContact CG-CE2 3.99Å; Y306-F310 WeakPolarHBondContact O-CB 3.48Å; Y306-F310 VanDerWaalsContact O-CD2 3.24Å; Y306-F310 WeakPolarHBondContact O-CD2 3.28Å; Y306-F310 PolarHBondContact O-N 2.89Å |
| 307 | N | 92.8 | Very high | 93.9 | Very high | 22 Ų | 22 | 36.8 Ų | 36.8 | 12% | 0.118 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.2 | -33.5 | 171.9 | -85.6 | -72.1 | 0 | 0 | 0 | 112 | K303 Y304 H305 N311 N312 S333 Q335 | K303-N307 PolarHBondContact O-N 3.18Å; K303-N307 PolarHBondContact O-ND2 3.34Å; Y304-N307 PolarHBondContact O-N 2.85Å; H305-N307 VanDerWaalsContact C-N 3.34Å; H305-N307 PolarHBondContact O-N 3.23Å; N307-N311 HydrophobicContact CB-CB 4.39Å; N307-N311 CarbonylContact O-C 3.46Å; N307-N311 WeakPolarHBondContact O-CA 3.46Å; N307-N311 VanDerWaalsContact O-CB 3.26Å; N307-N311 WeakPolarHBondContact O-CB 3.14Å; N307-N311 PolarHBondContact O-N 3.38Å; N307-N311 PolarHBondContact OD1-ND2 3.27Å; N307-N311 VanDerWaalsContact OD1-ND2 3.11Å; N307-N312 PolarHBondContact O-N 2.97Å; N307-S333 PolarHBondContact ND2-O 2.88Å; N307-S333 VanDerWaalsContact ND2-O 3.15Å; N307-Q335 PolarHBondContact ND2-O 3.2Å |
| 308 | H | 95.5 | Very high | 94 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60 | -46.9 | 171 | 173.5 | 82.2 | 0 | 0 | 0 | 111.9 | H203 H208 H230 Y304 H305 Y306 N312 Q313 K315 A316 | H203-H308 AromaticContact CE1-CD2 3.99Å; H203-H308 AromaticContact CE1-CE1 3.76Å; H203-H308 AromaticContact CE1-NE2 3.46Å; H203-H308 PolarHBondContact CE1-NE2 3.21Å; H203-H308 AromaticContact NE2-CE1 3.6Å; H203-H308 AromaticContact NE2-NE2 3.15Å; H203-H308 PolarHBondContact NE2-NE2 3.31Å; H203-H308 VanDerWaalsContact NE2-NE2 3.15Å; H208-H308 AromaticContact CD2-CE1 3.77Å; H208-H308 AromaticContact CD2-NE2 3.99Å; H208-H308 AromaticContact CE1-CE1 3.56Å; H208-H308 AromaticContact CE1-NE2 3.53Å; H208-H308 AromaticContact NE2-CE1 3.03Å; H208-H308 PolarHBondContact NE2-CE1 3.21Å; H208-H308 AromaticContact NE2-NE2 2.93Å; H208-H308 PolarHBondContact NE2-NE2 2.82Å; H230-H308 AromaticContact CE1-CD2 3.49Å; H230-H308 PolarHBondContact CE1-CD2 2.78Å; H230-H308 VanDerWaalsContact CE1-CD2 3.49Å; H230-H308 AromaticContact CE1-NE2 3.16Å; H230-H308 PolarHBondContact CE1-NE2 3.23Å; H230-H308 AromaticContact NE2-CD2 3.91Å; H230-H308 AromaticContact NE2-NE2 3.28Å; H230-H308 PolarHBondContact NE2-NE2 3.39Å; Y304-H308 PolarHBondContact O-N 3.38Å; H305-H308 VanDerWaalsContact O-CB 3.24Å; H305-H308 WeakPolarHBondContact O-CB 3.22Å; H305-H308 PolarHBondContact O-N 2.95Å; Y306-H308 PolarHBondContact O-N 3.4Å; H308-N312 CarbonylContact O-C 3.58Å; H308-Q313 PolarHBondContact CE1-O 2.91Å; H308-Q313 VanDerWaalsContact CE1-O 3.24Å; H308-Q313 WeakPolarHBondContact O-CA 3.42Å; H308-Q313 PolarHBondContact O-N 3.5Å; H308-K315 PolarHBondContact ND1-O 3.42Å; H308-A316 HydrophobicContact CB-CB 4.04Å |
| 309 | H | 93.5 | Very high | 94.2 | Very high | 4 Ų | 4 | 28.4 Ų | 28.4 | 2% | 0.019 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -71.5 | -43.3 | 179.5 | -83 | -80.8 | 0 | 0 | 0 | 114.9 | H229 H230 H288 H305 Y306 | H229-H309 AromaticContact CD2-CE1 3.39Å; H229-H309 PolarHBondContact CD2-CE1 3.34Å; H229-H309 AromaticContact CD2-NE2 3.72Å; H229-H309 AromaticContact CE1-CE1 3.86Å; H229-H309 AromaticContact CE1-NE2 3.98Å; H229-H309 AromaticContact NE2-CE1 3.11Å; H229-H309 PolarHBondContact NE2-CE1 3.27Å; H229-H309 AromaticContact NE2-NE2 3.08Å; H229-H309 PolarHBondContact NE2-NE2 3.39Å; H230-H309 AromaticContact CE1-CE1 3.85Å; H230-H309 AromaticContact CE1-ND1 3.76Å; H230-H309 AromaticContact ND1-CE1 3.95Å; H230-H309 AromaticContact ND1-ND1 3.56Å; H230-H309 AromaticContact NE2-CE1 3.98Å; H288-H309 AromaticContact CE1-CD2 3.48Å; H288-H309 PolarHBondContact CE1-CD2 3.42Å; H288-H309 VanDerWaalsContact CE1-CD2 3.48Å; H288-H309 AromaticContact CE1-CE1 3.97Å; H288-H309 AromaticContact CE1-NE2 3.39Å; H288-H309 PolarHBondContact CE1-NE2 2.88Å; H288-H309 AromaticContact NE2-CD2 3.72Å; H288-H309 AromaticContact NE2-NE2 3.33Å; H288-H309 PolarHBondContact NE2-NE2 3.49Å; H305-H309 AromaticContact CD2-CD2 3.73Å; H305-H309 AromaticContact CD2-NE2 3.9Å; H305-H309 AromaticContact CE1-CD2 3.71Å; H305-H309 AromaticContact CE1-NE2 3.45Å; H305-H309 PolarHBondContact CE1-NE2 3.1Å; H305-H309 AromaticContact NE2-CD2 3.29Å; H305-H309 PolarHBondContact NE2-CD2 2.82Å; H305-H309 VanDerWaalsContact NE2-CD2 3.29Å; H305-H309 AromaticContact NE2-NE2 3.01Å; H305-H309 PolarHBondContact NE2-NE2 3.05Å; H305-H309 PolarHBondContact O-CD2 2.9Å; H305-H309 PolarHBondContact O-N 3.22Å; Y306-H309 PolarHBondContact O-N 2.9Å; Y306-H309 VanDerWaalsContact O-N 3.15Å |
| 310 | F | 90.6 | Very high | 94.5 | Very high | 27 Ų | 27 | 29.3 Ų | 29.3 | 12% | 0.118 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -109.2 | -10.9 | -164.2 | -61.8 | -72.5 | 0 | 0 | 0 | 114.3 | S71 I77 P127 P233 M234 Y306 | S71-F310 WeakPolarHBondContact CB-O 3.41Å; S71-F310 PolarHBondContact OG-O 3.18Å; I77-F310 HydrophobicContact CD1-CD1 4.2Å; I77-F310 HydrophobicContact CD1-CE1 3.73Å; P127-F310 HydrophobicContact CB-CD1 4.21Å; P127-F310 HydrophobicContact CB-CE1 3.64Å; P127-F310 HydrophobicContact CG-CD1 3.81Å; P127-F310 HydrophobicContact CG-CE1 3.69Å; P233-F310 HydrophobicContact CB-CZ 4.44Å; P233-F310 HydrophobicContact CG-CE1 4.17Å; P233-F310 HydrophobicContact CG-CZ 3.72Å; M234-F310 HydrophobicContact CE-CE2 4.26Å; M234-F310 HydrophobicContact CE-CZ 3.88Å; Y306-F310 AromaticContact CD1-CD2 3.64Å; Y306-F310 HydrophobicContact CD1-CD2 3.64Å; Y306-F310 AromaticContact CD1-CE2 3.35Å; Y306-F310 HydrophobicContact CD1-CE2 3.35Å; Y306-F310 HydrophobicContact CD1-CZ 4.49Å; Y306-F310 HydrophobicContact CE1-CD2 4.49Å; Y306-F310 AromaticContact CE1-CE2 3.8Å; Y306-F310 HydrophobicContact CE1-CE2 3.8Å; Y306-F310 HydrophobicContact CG-CD2 4.1Å; Y306-F310 AromaticContact CG-CE2 3.99Å; Y306-F310 HydrophobicContact CG-CE2 3.99Å; Y306-F310 WeakPolarHBondContact O-CB 3.48Å; Y306-F310 VanDerWaalsContact O-CD2 3.24Å; Y306-F310 WeakPolarHBondContact O-CD2 3.28Å; Y306-F310 PolarHBondContact O-N 2.89Å |
| 311 | N | 88.5 | Confident | 94.7 | Very high | 107 Ų | 107 | 26.3 Ų | 26.3 | 57% | 0.572 | 13% | 0.131 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -124.6 | -59.4 | -175.3 | -168.9 | 4.2 | 0 | 0 | 0 | 112.1 | N307 | N307-N311 HydrophobicContact CB-CB 4.39Å; N307-N311 CarbonylContact O-C 3.46Å; N307-N311 WeakPolarHBondContact O-CA 3.46Å; N307-N311 VanDerWaalsContact O-CB 3.26Å; N307-N311 WeakPolarHBondContact O-CB 3.14Å; N307-N311 PolarHBondContact O-N 3.38Å; N307-N311 PolarHBondContact OD1-ND2 3.27Å; N307-N311 VanDerWaalsContact OD1-ND2 3.11Å |
| 312 | N | 92 | Very high | 94.8 | Very high | 62 Ų | 62 | 26.4 Ų | 26.4 | 33% | 0.332 | 13% | 0.133 | S | C | . | . | trans | -149.2 | 101.7 | -178.9 | -171.7 | -13.1 | 0 | 0 | 0 | 112.5 | N307 H308 H314 K315 | N307-N312 PolarHBondContact O-N 2.97Å; H308-N312 CarbonylContact O-C 3.58Å; N312-H314 PolarHBondContact O-N 3.42Å; N312-H314 WeakPolarHBondContact OD1-CB 3.36Å; N312-H314 PolarHBondContact OD1-N 2.85Å; N312-K315 PolarHBondContact O-N 3.18Å | ||
| 313 | Q | 93 | Very high | 95 | Very high | 28 Ų | 28 | 31.1 Ų | 31.1 | 13% | 0.131 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -7.6 | 178.6 | 74.1 | -132.5 | 35.1 | 0 | 0 | 114.8 | W121 H125 H308 K315 | W121-Q313 VanDerWaalsContact CE2-NE2 3.34Å; W121-Q313 HydrophobicContact CZ2-CG 4.37Å; H125-Q313 PolarHBondContact CD2-NE2 3.27Å; H125-Q313 VanDerWaalsContact CD2-NE2 3.29Å; H125-Q313 PolarHBondContact CD2-OE1 3.49Å; H125-Q313 VanDerWaalsContact CD2-OE1 3.22Å; H125-Q313 PolarHBondContact CE1-NE2 3.43Å; H125-Q313 PolarHBondContact ND1-NE2 3.43Å; H125-Q313 PolarHBondContact NE2-NE2 3.16Å; H308-Q313 PolarHBondContact CE1-O 2.91Å; H308-Q313 VanDerWaalsContact CE1-O 3.24Å; H308-Q313 WeakPolarHBondContact O-CA 3.42Å; H308-Q313 PolarHBondContact O-N 3.5Å; Q313-K315 VanDerWaalsContact C-N 3.29Å |
| 314 | H | 95 | Very high | 95.3 | Very high | 90 Ų | 90 | 32 Ų | 32 | 42% | 0.417 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90 | 9.4 | 177.9 | -58.7 | -66.2 | 0 | 0 | 0 | 113.5 | W121 N312 Y317 | W121-H314 AromaticContact CZ2-CE1 3.87Å; N312-H314 PolarHBondContact O-N 3.42Å; N312-H314 WeakPolarHBondContact OD1-CB 3.36Å; N312-H314 PolarHBondContact OD1-N 2.85Å; H314-Y317 VanDerWaalsContact CA-OH 3.31Å; H314-Y317 WeakPolarHBondContact CA-OH 3.39Å; H314-Y317 WeakPolarHBondContact O-CE2 3.22Å; H314-Y317 PolarHBondContact O-OH 2.63Å |
| 315 | K | 96.4 | Very high | 95.5 | Very high | 95 Ų | 95 | 32 Ų | 32 | 41% | 0.413 | 16% | 0.159 | S | C | . | . | S | Bend | trans | -138.7 | 169.7 | 179.6 | -66.7 | -173.4 | 164.4 | -155.1 | 0 | 110.1 | H308 N312 Q313 T330 V331 | H308-K315 PolarHBondContact ND1-O 3.42Å; N312-K315 PolarHBondContact O-N 3.18Å; Q313-K315 VanDerWaalsContact C-N 3.29Å; K315-T330 CarbonylContact C-O 3.55Å; K315-T330 WeakPolarHBondContact CA-O 3.44Å; K315-T330 WeakPolarHBondContact CB-O 3.4Å; K315-V331 WeakPolarHBondContact CD-O 3.29Å |
| 316 | A | 97.5 | Very high | 95.6 | Very high | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.008 | 19% | 0.186 | C | C | . | . | trans | 58.6 | 51.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y304 H308 G318 D325 T330 | Y304-A316 HydrophobicContact CD1-CB 3.64Å; Y304-A316 HydrophobicContact CD2-CB 4.24Å; Y304-A316 VanDerWaalsContact CE1-CA 3.48Å; Y304-A316 HydrophobicContact CE1-CB 3.24Å; Y304-A316 HydrophobicContact CE2-CB 3.89Å; Y304-A316 HydrophobicContact CG-CB 4.12Å; Y304-A316 WeakPolarHBondContact OH-CA 3.49Å; H308-A316 HydrophobicContact CB-CB 4.04Å; A316-G318 VanDerWaalsContact C-N 3.33Å; A316-D325 WeakPolarHBondContact CA-OD2 3.43Å; A316-T330 PolarHBondContact N-O 3.28Å | ||
| 317 | Y | 98.1 | Very high | 95.8 | Very high | 14 Ų | 14 | 42.8 Ų | 42.8 | 6% | 0.055 | 21% | 0.211 | C | C | . | . | trans | -76.7 | -21.4 | 178.4 | -60.3 | -72.1 | 0 | 0 | 0 | 112.6 | Y200 H203 R204 H208 H314 I319 D325 T330 | Y200-Y317 HydrophobicContact CE2-CD2 4.17Å; Y200-Y317 HydrophobicContact CE2-CG 4.49Å; H203-Y317 PolarHBondContact ND1-O 3.02Å; R204-Y317 HydrophobicContact CB-CD1 3.87Å; R204-Y317 HydrophobicContact CB-CD2 3.98Å; R204-Y317 HydrophobicContact CB-CE1 4.1Å; R204-Y317 HydrophobicContact CB-CE2 4.21Å; R204-Y317 HydrophobicContact CB-CG 3.79Å; R204-Y317 HydrophobicContact CG-CD1 4.3Å; R204-Y317 HydrophobicContact CG-CD2 3.93Å; R204-Y317 HydrophobicContact CG-CE1 4.09Å; R204-Y317 HydrophobicContact CG-CE2 3.69Å; R204-Y317 HydrophobicContact CG-CG 4.21Å; H208-Y317 HydrophobicContact CB-CE1 4.15Å; H208-Y317 AromaticContact CD2-CE1 3.78Å; H208-Y317 AromaticContact CG-CE1 3.96Å; H314-Y317 VanDerWaalsContact CA-OH 3.31Å; H314-Y317 WeakPolarHBondContact CA-OH 3.39Å; H314-Y317 WeakPolarHBondContact O-CE2 3.22Å; H314-Y317 PolarHBondContact O-OH 2.63Å; Y317-I319 PolarHBondContact O-N 2.87Å; Y317-D325 PolarHBondContact N-OD1 3.25Å; Y317-D325 PolarHBondContact N-OD2 2.85Å; Y317-T330 HydrophobicContact CD2-CG2 4.05Å; Y317-T330 HydrophobicContact CE2-CG2 3.79Å | ||
| 318 | G | 97.9 | Very high | 96.1 | Very high | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.01 | 22% | 0.222 | C | C | . | . | trans | -74.5 | 117.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | A316 S321 D325 | A316-G318 VanDerWaalsContact C-N 3.33Å; G318-S321 CarbonylContact C-O 3.55Å; G318-S321 WeakPolarHBondContact CA-O 3.46Å; G318-D325 PolarHBondContact N-OD2 3.31Å | ||
| 319 | I | 97.9 | Very high | 96.2 | Very high | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -93.1 | -47.7 | 178.8 | -66.5 | 171.6 | 0 | 0 | 0 | 110 | E199 Y280 H284 L287 Y317 | E199-I319 WeakPolarHBondContact OE1-CA 3.15Å; E199-I319 WeakPolarHBondContact OE1-CB 3.33Å; E199-I319 PolarHBondContact OE1-N 2.65Å; Y280-I319 HydrophobicContact CD2-CB 4.05Å; Y280-I319 HydrophobicContact CD2-CG2 4.18Å; Y280-I319 HydrophobicContact CE2-CB 3.78Å; Y280-I319 HydrophobicContact CE2-CD1 3.5Å; Y280-I319 VanDerWaalsContact CE2-CD1 3.5Å; Y280-I319 HydrophobicContact CE2-CG1 4.12Å; Y280-I319 HydrophobicContact CE2-CG2 4.04Å; H284-I319 HydrophobicContact CB-CG2 3.72Å; L287-I319 HydrophobicContact CD1-CG2 4.24Å; Y317-I319 PolarHBondContact O-N 2.87Å |
| 320 | S | 97.7 | Very high | 96.4 | Very high | 29 Ų | 29 | 49 Ų | 49 | 20% | 0.203 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -73.4 | -33.1 | 177.7 | -55 | 0 | 0 | 0 | 0 | 112.2 | E199 Y297 L301 | E199-S320 PolarHBondContact OE1-N 2.82Å; E199-S320 VanDerWaalsContact OE2-CB 3.27Å; E199-S320 WeakPolarHBondContact OE2-CB 3.44Å; E199-S320 PolarHBondContact OE2-OG 3.38Å; Y297-S320 PolarHBondContact OH-O 3.24Å; L301-S320 WeakPolarHBondContact CD1-O 3.28Å |
| 321 | S | 97.6 | Very high | 96.7 | Very high | 17 Ų | 17 | 49.6 Ų | 49.6 | 12% | 0.119 | 26% | 0.262 | C | S | . | . | trans | -162.9 | 154.7 | 175.5 | 78.1 | 0 | 0 | 0 | 0 | 111.8 | Y297 G318 I323 | Y297-S321 VanDerWaalsContact OH-CA 3.31Å; Y297-S321 WeakPolarHBondContact OH-CA 3.41Å; Y297-S321 VanDerWaalsContact OH-CB 3.3Å; Y297-S321 WeakPolarHBondContact OH-CB 3.33Å; G318-S321 CarbonylContact C-O 3.55Å; G318-S321 WeakPolarHBondContact CA-O 3.46Å; S321-I323 VanDerWaalsContact C-N 3.27Å; S321-I323 PolarHBondContact O-N 3.36Å | ||
| 322 | A | 97.5 | Very high | 97.1 | Very high | 7 Ų | 7 | 45.3 Ų | 45.3 | 6% | 0.058 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -82.8 | 5.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114 | Y304 W324 D325 Y326 Y334 | Y304-A322 HydrophobicContact CE1-CB 3.84Å; Y304-A322 HydrophobicContact CE2-CB 4.43Å; A322-W324 VanDerWaalsContact C-N 3.31Å; A322-W324 PolarHBondContact O-N 3.3Å; A322-D325 WeakPolarHBondContact O-CB 3.28Å; A322-D325 PolarHBondContact O-N 2.93Å; A322-Y326 HydrophobicContact CB-CD2 4.16Å; A322-Y326 HydrophobicContact CB-CE2 3.98Å; A322-Y326 VanDerWaalsContact O-CD2 3.26Å; A322-Y326 WeakPolarHBondContact O-CD2 3.45Å; A322-Y326 PolarHBondContact O-N 2.9Å; A322-Y334 VanDerWaalsContact CB-OH 3.31Å; A322-Y334 WeakPolarHBondContact CB-OH 3.48Å |
| 323 | I | 97.9 | Very high | 97 | Very high | 103 Ų | 103 | 44.2 Ų | 44.2 | 53% | 0.528 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -53.5 | -49.2 | -172.5 | -66.3 | 172.6 | 0 | 0 | 0 | 110.9 | S321 D325 Y326 V327 | S321-I323 VanDerWaalsContact C-N 3.27Å; S321-I323 PolarHBondContact O-N 3.36Å; I323-D325 VanDerWaalsContact C-N 3.35Å; I323-D325 PolarHBondContact O-N 3Å; I323-Y326 PolarHBondContact O-N 2.93Å; I323-V327 WeakPolarHBondContact O-CG2 3.48Å; I323-V327 PolarHBondContact O-N 2.71Å |
| 324 | W | 98.5 | Very high | 96.8 | Very high | 57 Ų | 57 | 46.8 Ų | 46.8 | 22% | 0.216 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -72.3 | -27.8 | -179.1 | -57.6 | 118.6 | 0 | 0 | 0 | 113 | S196 L197 Y200 A322 Y326 V327 F328 | S196-W324 PolarHBondContact O-NE1 2.95Å; S196-W324 PolarHBondContact OG-NE1 2.97Å; L197-W324 HydrophobicContact CB-CH2 4.48Å; L197-W324 HydrophobicContact CB-CZ2 3.85Å; L197-W324 HydrophobicContact CD1-CD2 3.61Å; L197-W324 HydrophobicContact CD1-CE3 3.61Å; L197-W324 HydrophobicContact CD1-CG 4.24Å; L197-W324 HydrophobicContact CD1-CH2 3.97Å; L197-W324 HydrophobicContact CD1-CZ2 3.97Å; L197-W324 HydrophobicContact CD1-CZ3 3.8Å; L197-W324 HydrophobicContact CG-CZ2 4.4Å; Y200-W324 HydrophobicContact CD1-CB 4.17Å; Y200-W324 HydrophobicContact CD2-CB 3.45Å; Y200-W324 VanDerWaalsContact CD2-CB 3.45Å; Y200-W324 HydrophobicContact CE2-CB 4.12Å; Y200-W324 HydrophobicContact CG-CB 3.48Å; Y200-W324 VanDerWaalsContact CG-CB 3.48Å; Y200-W324 HydrophobicContact CG-CG 4.33Å; A322-W324 VanDerWaalsContact C-N 3.31Å; A322-W324 PolarHBondContact O-N 3.3Å; W324-Y326 VanDerWaalsContact C-N 3.33Å; W324-V327 HydrophobicContact CE3-CB 4.17Å; W324-V327 HydrophobicContact CE3-CG1 4.28Å; W324-V327 HydrophobicContact CE3-CG2 4.1Å; W324-V327 HydrophobicContact CZ3-CG2 4.39Å; W324-V327 PolarHBondContact O-N 3.34Å; W324-F328 HydrophobicContact CB-CD2 4.14Å; W324-F328 HydrophobicContact CB-CE2 4.33Å; W324-F328 AromaticContact CE3-CE2 3.9Å; W324-F328 HydrophobicContact CE3-CE2 3.9Å; W324-F328 WeakPolarHBondContact O-CB 3.34Å; W324-F328 WeakPolarHBondContact O-CD2 3.49Å; W324-F328 PolarHBondContact O-N 3.11Å |
| 325 | D | 98.6 | Very high | 96 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.4 | -38 | 170.4 | -73.1 | -55.9 | 0 | 0 | 0 | 112.1 | Y200 Y304 A316 Y317 G318 A322 I323 G329 T330 V331 | Y200-D325 WeakPolarHBondContact CE2-OD1 3.5Å; Y304-D325 WeakPolarHBondContact CE1-OD2 3.45Å; Y304-D325 VanDerWaalsContact OH-CB 3.24Å; Y304-D325 WeakPolarHBondContact OH-CB 3.39Å; Y304-D325 PolarHBondContact OH-OD2 3.43Å; A316-D325 WeakPolarHBondContact CA-OD2 3.43Å; Y317-D325 PolarHBondContact N-OD1 3.25Å; Y317-D325 PolarHBondContact N-OD2 2.85Å; G318-D325 PolarHBondContact N-OD2 3.31Å; A322-D325 WeakPolarHBondContact O-CB 3.28Å; A322-D325 PolarHBondContact O-N 2.93Å; I323-D325 VanDerWaalsContact C-N 3.35Å; I323-D325 PolarHBondContact O-N 3Å; D325-G329 CarbonylContact O-C 3.56Å; D325-G329 WeakPolarHBondContact O-CA 3.34Å; D325-G329 PolarHBondContact O-N 3.03Å; D325-T330 WeakPolarHBondContact CA-OG1 3.49Å; D325-T330 PolarHBondContact O-N 3.22Å; D325-T330 WeakPolarHBondContact OD1-CB 3.21Å; D325-T330 PolarHBondContact OD1-OG1 3.41Å; D325-V331 HydrophobicContact CB-CG2 4.28Å; D325-V331 WeakPolarHBondContact O-CG2 3.46Å |
| 326 | Y | 98 | Very high | 95.9 | Very high | 145 Ų | 145 | 47.7 Ų | 47.7 | 57% | 0.569 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -65.9 | -46.3 | 172.6 | -78.6 | -78.7 | 0 | 0 | 0 | 111.4 | A322 I323 W324 F328 V331 | A322-Y326 HydrophobicContact CB-CD2 4.16Å; A322-Y326 HydrophobicContact CB-CE2 3.98Å; A322-Y326 VanDerWaalsContact O-CD2 3.26Å; A322-Y326 WeakPolarHBondContact O-CD2 3.45Å; A322-Y326 PolarHBondContact O-N 2.9Å; I323-Y326 PolarHBondContact O-N 2.93Å; W324-Y326 VanDerWaalsContact C-N 3.33Å; Y326-F328 VanDerWaalsContact C-N 3.33Å; Y326-F328 PolarHBondContact O-N 3.05Å; Y326-V331 HydrophobicContact CD1-CG2 3.51Å; Y326-V331 HydrophobicContact CD2-CG2 4.19Å; Y326-V331 HydrophobicContact CE1-CG1 4.1Å; Y326-V331 HydrophobicContact CE1-CG2 3.78Å; Y326-V331 HydrophobicContact CE2-CG1 4.46Å; Y326-V331 HydrophobicContact CE2-CG2 4.41Å; Y326-V331 HydrophobicContact CG-CG2 3.72Å |
| 327 | V | 98.2 | Very high | 95.9 | Very high | 88 Ų | 88 | 50.1 Ų | 50.1 | 53% | 0.533 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61 | -40.5 | 179.9 | 172.6 | 0 | 0 | 0 | 0 | 111.9 | I323 W324 | I323-V327 WeakPolarHBondContact O-CG2 3.48Å; I323-V327 PolarHBondContact O-N 2.71Å; W324-V327 HydrophobicContact CE3-CB 4.17Å; W324-V327 HydrophobicContact CE3-CG1 4.28Å; W324-V327 HydrophobicContact CE3-CG2 4.1Å; W324-V327 HydrophobicContact CZ3-CG2 4.39Å; W324-V327 PolarHBondContact O-N 3.34Å |
| 328 | F | 98.2 | Very high | 95.7 | Very high | 80 Ų | 80 | 52.1 Ų | 52.1 | 35% | 0.351 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.1 | 10.3 | -174.2 | -63.8 | -66.9 | 0 | 0 | 0 | 114.4 | L197 Y200 F201 W324 Y326 | L197-F328 HydrophobicContact CD1-CE2 3.92Å; L197-F328 HydrophobicContact CD1-CZ 4.29Å; Y200-F328 AromaticContact CD1-CD2 3.7Å; Y200-F328 HydrophobicContact CD1-CD2 3.7Å; Y200-F328 AromaticContact CD1-CE2 3.99Å; Y200-F328 HydrophobicContact CD1-CE2 3.99Å; Y200-F328 HydrophobicContact CE1-CB 3.95Å; Y200-F328 AromaticContact CE1-CD2 3.29Å; Y200-F328 HydrophobicContact CE1-CD2 3.29Å; Y200-F328 AromaticContact CE1-CE2 3.98Å; Y200-F328 HydrophobicContact CE1-CE2 3.98Å; Y200-F328 AromaticContact CE1-CG 3.8Å; Y200-F328 HydrophobicContact CE1-CG 3.8Å; Y200-F328 HydrophobicContact CE2-CD2 4.43Å; Y200-F328 HydrophobicContact CG-CD2 4.44Å; Y200-F328 AromaticContact CZ-CD2 3.72Å; Y200-F328 WeakPolarHBondContact OH-CB 3.22Å; F201-F328 HydrophobicContact CE2-CE2 4.41Å; F201-F328 HydrophobicContact CE2-CZ 4.25Å; F201-F328 HydrophobicContact CZ-CE1 4.32Å; F201-F328 HydrophobicContact CZ-CE2 4.15Å; F201-F328 AromaticContact CZ-CZ 3.75Å; F201-F328 HydrophobicContact CZ-CZ 3.75Å; W324-F328 HydrophobicContact CB-CD2 4.14Å; W324-F328 HydrophobicContact CB-CE2 4.33Å; W324-F328 AromaticContact CE3-CE2 3.9Å; W324-F328 HydrophobicContact CE3-CE2 3.9Å; W324-F328 WeakPolarHBondContact O-CB 3.34Å; W324-F328 WeakPolarHBondContact O-CD2 3.49Å; W324-F328 PolarHBondContact O-N 3.11Å; Y326-F328 VanDerWaalsContact C-N 3.33Å; Y326-F328 PolarHBondContact O-N 3.05Å |
| 329 | G | 97.8 | Very high | 95.6 | Very high | 66 Ų | 66 | 55.1 Ų | 55.1 | 68% | 0.68 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.6 | 30.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | D325 | D325-G329 CarbonylContact O-C 3.56Å; D325-G329 WeakPolarHBondContact O-CA 3.34Å; D325-G329 PolarHBondContact O-N 3.03Å |
| 330 | T | 98 | Very high | 95.5 | Very high | 10 Ų | 10 | 58.5 Ų | 58.5 | 6% | 0.061 | 32% | 0.316 | C | S | . | . | trans | -113.5 | 23.9 | -179.5 | 53.2 | 0 | 0 | 0 | 0 | 113.7 | Y200 K315 A316 Y317 D325 G332 | Y200-T330 WeakPolarHBondContact CE2-OG1 3.19Å; Y200-T330 WeakPolarHBondContact OH-CG2 3.38Å; Y200-T330 PolarHBondContact OH-OG1 3.33Å; K315-T330 CarbonylContact C-O 3.55Å; K315-T330 WeakPolarHBondContact CA-O 3.44Å; K315-T330 WeakPolarHBondContact CB-O 3.4Å; A316-T330 PolarHBondContact N-O 3.28Å; Y317-T330 HydrophobicContact CD2-CG2 4.05Å; Y317-T330 HydrophobicContact CE2-CG2 3.79Å; D325-T330 WeakPolarHBondContact CA-OG1 3.49Å; D325-T330 PolarHBondContact O-N 3.22Å; D325-T330 WeakPolarHBondContact OD1-CB 3.21Å; D325-T330 PolarHBondContact OD1-OG1 3.41Å; T330-G332 PolarHBondContact O-N 3.12Å | ||
| 331 | V | 97.6 | Very high | 95.3 | Very high | 40 Ų | 40 | 60.5 Ų | 60.5 | 24% | 0.242 | 32% | 0.324 | C | S | . | . | trans | -58.5 | 124.4 | -179.4 | -173.4 | 0 | 0 | 0 | 0 | 111.5 | Y304 K315 D325 Y326 | Y304-V331 HydrophobicContact CE2-CG1 4.34Å; Y304-V331 WeakPolarHBondContact OH-CA 3.26Å; K315-V331 WeakPolarHBondContact CD-O 3.29Å; D325-V331 HydrophobicContact CB-CG2 4.28Å; D325-V331 WeakPolarHBondContact O-CG2 3.46Å; Y326-V331 HydrophobicContact CD1-CG2 3.51Å; Y326-V331 HydrophobicContact CD2-CG2 4.19Å; Y326-V331 HydrophobicContact CE1-CG1 4.1Å; Y326-V331 HydrophobicContact CE1-CG2 3.78Å; Y326-V331 HydrophobicContact CE2-CG1 4.46Å; Y326-V331 HydrophobicContact CE2-CG2 4.41Å; Y326-V331 HydrophobicContact CG-CG2 3.72Å | ||
| 332 | G | 94.9 | Very high | 95.2 | Very high | 17 Ų | 17 | 63.6 Ų | 63.6 | 18% | 0.175 | 34% | 0.338 | C | S | . | . | trans | -89.6 | -167 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y304 T330 | Y304-G332 PolarHBondContact OH-N 3.34Å; Y304-G332 VanDerWaalsContact OH-N 3.16Å; T330-G332 PolarHBondContact O-N 3.12Å | ||
| 333 | S | 91.7 | Very high | 95 | Very high | 39 Ų | 39 | 67.9 Ų | 67.9 | 27% | 0.273 | 36% | 0.36 | S | S | . | . | trans | -92 | 143.8 | 177.8 | -178.1 | 0 | 0 | 0 | 0 | 111.3 | Y304 N307 Q335 | Y304-S333 WeakPolarHBondContact CA-O 3.49Å; N307-S333 PolarHBondContact ND2-O 2.88Å; N307-S333 VanDerWaalsContact ND2-O 3.15Å; S333-Q335 WeakPolarHBondContact OG-CB 3.46Å; S333-Q335 PolarHBondContact OG-N 3.02Å; S333-Q335 VanDerWaalsContact OG-N 3.12Å | ||
| 334 | Y | 87.1 | Confident | 94.7 | Very high | 83 Ų | 83 | 65 Ų | 65 | 33% | 0.325 | 35% | 0.346 | S | S | . | . | trans | -99.1 | 4.8 | 170.1 | -68.5 | -85.3 | 0 | 0 | 0 | 113.1 | H300 K303 Y304 A322 | H300-Y334 HydrophobicContact CB-CD1 4.28Å; K303-Y334 WeakPolarHBondContact CD-O 3.35Å; Y304-Y334 AromaticContact CD2-CD1 3.78Å; Y304-Y334 HydrophobicContact CD2-CD1 3.78Å; Y304-Y334 HydrophobicContact CD2-CD2 4.1Å; Y304-Y334 AromaticContact CD2-CE1 3.52Å; Y304-Y334 HydrophobicContact CD2-CE1 3.52Å; Y304-Y334 AromaticContact CD2-CE2 3.87Å; Y304-Y334 HydrophobicContact CD2-CE2 3.87Å; Y304-Y334 HydrophobicContact CD2-CG 4.06Å; Y304-Y334 AromaticContact CD2-CZ 3.58Å; Y304-Y334 HydrophobicContact CE2-CD2 4.46Å; Y304-Y334 HydrophobicContact CE2-CE1 4.21Å; Y304-Y334 AromaticContact CE2-CE2 3.92Å; Y304-Y334 HydrophobicContact CE2-CE2 3.92Å; Y304-Y334 AromaticContact CE2-CZ 3.79Å; Y304-Y334 HydrophobicContact CG-CD1 4.2Å; Y304-Y334 AromaticContact CG-CE1 3.87Å; Y304-Y334 HydrophobicContact CG-CE1 3.87Å; A322-Y334 VanDerWaalsContact CB-OH 3.31Å; A322-Y334 WeakPolarHBondContact CB-OH 3.48Å | ||
| 335 | Q | 78.4 | Confident | 94.4 | Very high | 155 Ų | 155 | 65.7 Ų | 65.7 | 72% | 0.724 | 36% | 0.358 | S | S | * | . | trans | -77.1 | 0 | -174.3 | -68.5 | -174.4 | -17.8 | 0 | 0 | 112.1 | K303 N307 S333 | K303-Q335 PolarHBondContact NZ-OXT 2.86Å; N307-Q335 PolarHBondContact ND2-O 3.2Å; S333-Q335 WeakPolarHBondContact OG-CB 3.46Å; S333-Q335 PolarHBondContact OG-N 3.02Å; S333-Q335 VanDerWaalsContact OG-N 3.12Å |
Retrieved 335 of 335 residues in 558.4 ms
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