| 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 | 50.8 | Low | 86.9 | Confident | 212 Ų | 212 | 39.2 Ų | 39.2 | 100% | 1.044 | 23% | 0.228 | S | C | * | . | 0 | 118.9 | 0 | -78 | 164.9 | -180 | 0 | 0 | 106 | |||||
| 2 | G | 72.5 | Confident | 87.1 | Confident | 47 Ų | 47 | 42.2 Ų | 42.2 | 49% | 0.485 | 24% | 0.241 | S | C | . | . | P | Polyproline II helix | trans | -68.3 | 159.2 | 179 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 3 | V | 81.1 | Confident | 86.9 | Confident | 87 Ų | 87 | 40.6 Ų | 40.6 | 53% | 0.527 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 127 | 163.1 | 177.9 | 0 | 0 | 0 | 0 | 106.2 | N50 N52 | V3-N50 WeakPolarHBondContact CA-O 3.04Å; V3-N50 HydrophobicContact CG2-CB 4.23Å; V3-N52 HydrophobicContact CG1-CB 3.68Å |
| 4 | E | 90.9 | Very high | 86.8 | Confident | 47 Ų | 47 | 46.9 Ų | 46.9 | 22% | 0.22 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 140.3 | 179.4 | -58.2 | -67.4 | 164.3 | 0 | 0 | 109.9 | V49 N50 L51 N52 R72 F162 | E4-V49 HydrophobicContact CG-CG2 4.33Å; E4-N50 PolarHBondContact N-O 2.92Å; E4-N50 VanDerWaalsContact N-O 3.08Å; E4-L51 HydrophobicContact CB-CD2 3.84Å; E4-L51 CarbonylContact O-C 3.59Å; E4-L51 VanDerWaalsContact O-CA 3.29Å; E4-L51 WeakPolarHBondContact O-CA 3.47Å; E4-N52 PolarHBondContact O-N 3.49Å; E4-R72 WeakPolarHBondContact OE2-CG 3.4Å; E4-R72 IonicContact OE2-NE 3.25Å; E4-F162 HydrophobicContact CB-CD1 3.79Å; E4-F162 HydrophobicContact CB-CE1 3.44Å; E4-F162 VanDerWaalsContact CB-CE1 3.44Å; E4-F162 HydrophobicContact CB-CZ 4.06Å; E4-F162 HydrophobicContact CG-CD1 3.66Å; E4-F162 HydrophobicContact CG-CE1 3.73Å |
| 5 | N | 93 | Very high | 86.7 | Confident | 13 Ų | 13 | 52.3 Ų | 52.3 | 7% | 0.07 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 130.7 | -176.4 | -63.9 | -63.7 | 0 | 0 | 0 | 111.4 | N52 E70 R72 A73 | N5-N52 WeakPolarHBondContact CA-O 2.89Å; N5-N52 WeakPolarHBondContact OD1-CB 3.4Å; N5-N52 PolarHBondContact OD1-ND2 2.87Å; N5-E70 WeakPolarHBondContact ND2-CB 3.38Å; N5-E70 PolarHBondContact ND2-O 2.66Å; N5-E70 PolarHBondContact ND2-OE2 3.32Å; N5-R72 PolarHBondContact O-N 2.89Å; N5-A73 PolarHBondContact O-N 2.72Å |
| 6 | V | 95.2 | Very high | 86.9 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 120.1 | 172.7 | -176.5 | 0 | 0 | 0 | 0 | 108.4 | L51 N52 V53 W54 A73 I75 L158 F162 | V6-L51 HydrophobicContact CG2-CB 4.27Å; V6-L51 HydrophobicContact CG2-CD1 4.08Å; V6-L51 HydrophobicContact CG2-CD2 4.4Å; V6-L51 HydrophobicContact CG2-CG 4.48Å; V6-N52 PolarHBondContact N-O 2.86Å; V6-V53 HydrophobicContact CB-CG2 4.31Å; V6-V53 WeakPolarHBondContact O-CA 3.49Å; V6-W54 PolarHBondContact O-N 3Å; V6-A73 WeakPolarHBondContact CA-O 3.43Å; V6-A73 HydrophobicContact CB-CB 4.32Å; V6-A73 HydrophobicContact CG1-CB 3.98Å; V6-A73 HydrophobicContact CG2-CB 4.03Å; V6-I75 HydrophobicContact CG1-CD1 4.02Å; V6-I75 HydrophobicContact CG1-CG1 4.39Å; V6-L158 HydrophobicContact CG1-CD2 4.33Å; V6-L158 HydrophobicContact CG2-CD2 4.32Å; V6-F162 HydrophobicContact CG2-CE2 4.19Å; V6-F162 HydrophobicContact CG2-CZ 4.47Å |
| 7 | A | 94.9 | Very high | 87.1 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 126.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | W54 T71 A73 I74 I75 | A7-W54 CarbonylContact C-O 3.14Å; A7-W54 WeakPolarHBondContact CA-O 3.1Å; A7-W54 HydrophobicContact CB-CD2 4.34Å; A7-W54 HydrophobicContact CB-CH2 3.93Å; A7-W54 HydrophobicContact CB-CZ2 3.29Å; A7-T71 HydrophobicContact CB-CG2 3.7Å; A7-A73 PolarHBondContact N-O 2.81Å; A7-I74 HydrophobicContact CB-CG1 4.24Å; A7-I74 CarbonylContact O-C 3.6Å; A7-I74 WeakPolarHBondContact O-CA 3.35Å; A7-I75 PolarHBondContact O-N 3.07Å |
| 8 | I | 95.6 | Very high | 87.4 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 117.5 | 166.9 | -62.5 | 164.3 | 0 | 0 | 0 | 107.3 | I22 A23 L26 V53 W54 V55 T56 I75 | I8-I22 HydrophobicContact CD1-CB 4.48Å; I8-I22 HydrophobicContact CD1-CG2 4.05Å; I8-A23 HydrophobicContact CD1-CB 3.71Å; I8-L26 HydrophobicContact CD1-CD1 4.3Å; I8-V53 HydrophobicContact CD1-CG1 3.56Å; I8-V53 HydrophobicContact CG1-CG1 4.33Å; I8-W54 PolarHBondContact N-O 2.74Å; I8-V55 HydrophobicContact CB-CG1 4.34Å; I8-V55 HydrophobicContact CB-CG2 4.36Å; I8-V55 HydrophobicContact CG2-CG1 4.27Å; I8-V55 CarbonylContact O-C 3.57Å; I8-V55 WeakPolarHBondContact O-CA 3.34Å; I8-T56 PolarHBondContact O-N 3.25Å; I8-I75 CarbonylContact C-O 3.59Å; I8-I75 WeakPolarHBondContact CA-O 3.35Å; I8-I75 HydrophobicContact CG1-CB 4.1Å; I8-I75 HydrophobicContact CG1-CD1 4.14Å; I8-I75 HydrophobicContact CG1-CG1 4.5Å |
| 9 | V | 94.7 | Very high | 87.6 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 113.4 | -179.5 | -173.7 | 0 | 0 | 0 | 0 | 108 | C11 T56 V58 L61 I74 I75 F76 Y77 | V9-C11 PolarHBondContact O-N 2.87Å; V9-T56 CarbonylContact C-O 3.5Å; V9-T56 WeakPolarHBondContact CA-O 3.36Å; V9-T56 HydrophobicContact CB-CG2 4.34Å; V9-T56 HydrophobicContact CG1-CG2 4.37Å; V9-T56 HydrophobicContact CG2-CG2 3.81Å; V9-V58 HydrophobicContact CG1-CG2 4.26Å; V9-L61 HydrophobicContact CG2-CD1 4.17Å; V9-L61 HydrophobicContact CG2-CD2 4.02Å; V9-I74 HydrophobicContact CG2-CD1 4.04Å; V9-I74 HydrophobicContact CG2-CG1 4.11Å; V9-I75 PolarHBondContact N-O 3.38Å; V9-F76 HydrophobicContact CB-CD1 3.52Å; V9-F76 HydrophobicContact CB-CE1 3.72Å; V9-F76 HydrophobicContact CG1-CD1 3.87Å; V9-F76 HydrophobicContact CG1-CE1 3.86Å; V9-F76 HydrophobicContact CG2-CD1 3.96Å; V9-F76 HydrophobicContact CG2-CE1 3.71Å; V9-Y77 PolarHBondContact O-N 2.96Å |
| 10 | D | 93.6 | Very high | 87.9 | Confident | 2 Ų | 2 | 49.9 Ų | 49.9 | 1% | 0.011 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 107.5 | 172.5 | -164 | -33.3 | 0 | 0 | 0 | 108.3 | I12 S13 L16 N18 G19 T56 | D10-I12 VanDerWaalsContact C-N 3.3Å; D10-I12 PolarHBondContact OD1-N 3.45Å; D10-S13 PolarHBondContact OD1-N 2.83Å; D10-L16 HydrophobicContact CB-CD2 3.96Å; D10-L16 VanDerWaalsContact OD2-C 3.3Å; D10-L16 WeakPolarHBondContact OD2-CA 3.29Å; D10-N18 PolarHBondContact OD1-ND2 2.63Å; D10-N18 VanDerWaalsContact OD2-CB 3.31Å; D10-N18 WeakPolarHBondContact OD2-CB 3.34Å; D10-N18 PolarHBondContact OD2-N 2.51Å; D10-N18 VanDerWaalsContact OD2-N 3.08Å; D10-N18 PolarHBondContact OD2-ND2 3.33Å; D10-G19 PolarHBondContact OD2-N 3.3Å; D10-G19 VanDerWaalsContact OD2-N 3.14Å; D10-T56 PolarHBondContact N-O 2.76Å |
| 11 | C | 93.3 | Very high | 88.1 | Confident | 23 Ų | 23 | 54.7 Ų | 54.7 | 16% | 0.155 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -85 | -4.7 | -179 | -62 | 0 | 0 | 0 | 0 | 113.8 | V9 V58 Y77 C85 | V9-C11 PolarHBondContact O-N 2.87Å; C11-V58 HydrophobicContact CB-CG2 4.12Å; C11-Y77 WeakPolarHBondContact CB-O 3.47Å; C11-Y77 PolarHBondContact N-O 3.33Å; C11-C85 HydrophobicContact CB-CB 4.25Å; C11-C85 WeakPolarHBondContact CB-SG 3.23Å |
| 12 | I | 89.6 | Confident | 90.2 | Very high | 75 Ų | 75 | 44.7 Ų | 44.7 | 39% | 0.385 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -108.8 | -42.9 | -172.3 | -54.2 | 162.9 | 0 | 0 | 0 | 110.3 | D10 Y77 D79 | D10-I12 VanDerWaalsContact C-N 3.3Å; D10-I12 PolarHBondContact OD1-N 3.45Å; I12-Y77 HydrophobicContact CD1-CD1 3.43Å; I12-Y77 VanDerWaalsContact CD1-CD1 3.43Å; I12-Y77 HydrophobicContact CD1-CE1 3.3Å; I12-Y77 HydrophobicContact CG1-CD1 4.36Å; I12-D79 HydrophobicContact CD1-CB 3.57Å; I12-D79 HydrophobicContact CG1-CB 3.78Å |
| 13 | S | 84.5 | Confident | 91.2 | Very high | 22 Ų | 22 | 42.4 Ų | 42.4 | 15% | 0.154 | 21% | 0.211 | C | C | . | . | trans | -124 | 124.4 | -169 | -171.8 | 0 | 0 | 0 | 0 | 112.5 | D10 L15 L16 | D10-S13 PolarHBondContact OD1-N 2.83Å; S13-L15 PolarHBondContact O-N 3.08Å; S13-L15 WeakPolarHBondContact OG-CB 2.92Å; S13-L15 PolarHBondContact OG-N 3.39Å; S13-L15 VanDerWaalsContact OG-N 3.15Å; S13-L16 PolarHBondContact O-N 3.06Å; S13-L16 VanDerWaalsContact O-N 3.11Å | ||
| 14 | E | 85.2 | Confident | 91.9 | Very high | 128 Ų | 128 | 39 Ų | 39 | 60% | 0.598 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -13.3 | 167.8 | -62.7 | -66.2 | 150.2 | 0 | 0 | 112.3 | L16 T57 | E14-L16 VanDerWaalsContact C-N 3.29Å; E14-T57 HydrophobicContact CB-CG2 4.5Å; E14-T57 WeakPolarHBondContact OE2-CB 3.37Å; E14-T57 VanDerWaalsContact OE2-CG2 3.26Å; E14-T57 WeakPolarHBondContact OE2-CG2 3.29Å; E14-T57 PolarHBondContact OE2-OG1 2.92Å |
| 15 | L | 86.1 | Confident | 92 | Very high | 129 Ų | 129 | 38.8 Ų | 38.8 | 68% | 0.675 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -3.7 | 174 | -59.5 | 177.2 | 0 | 0 | 0 | 112.9 | S13 E17 | S13-L15 PolarHBondContact O-N 3.08Å; S13-L15 WeakPolarHBondContact OG-CB 2.92Å; S13-L15 PolarHBondContact OG-N 3.39Å; S13-L15 VanDerWaalsContact OG-N 3.15Å; L15-E17 HydrophobicContact CB-CG 3.96Å; L15-E17 PolarHBondContact O-N 3.47Å; L15-E17 VanDerWaalsContact O-N 3.09Å |
| 16 | L | 89.7 | Confident | 92.1 | Very high | 22 Ų | 22 | 38.6 Ų | 38.6 | 12% | 0.115 | 20% | 0.199 | C | C | . | . | trans | 60.8 | 14.1 | 177.2 | -53.6 | 178.7 | 0 | 0 | 0 | 115.1 | D10 S13 E14 N18 G19 M20 N36 V55 T56 T57 | D10-L16 HydrophobicContact CB-CD2 3.96Å; D10-L16 VanDerWaalsContact OD2-C 3.3Å; D10-L16 WeakPolarHBondContact OD2-CA 3.29Å; S13-L16 PolarHBondContact O-N 3.06Å; S13-L16 VanDerWaalsContact O-N 3.11Å; E14-L16 VanDerWaalsContact C-N 3.29Å; L16-N18 VanDerWaalsContact C-N 3.27Å; L16-N18 PolarHBondContact O-N 3.37Å; L16-G19 PolarHBondContact O-N 3.28Å; L16-M20 HydrophobicContact CB-CE 3.84Å; L16-M20 HydrophobicContact CB-CG 4.16Å; L16-M20 HydrophobicContact CD1-CE 3.71Å; L16-M20 HydrophobicContact CG-CE 4.43Å; L16-M20 WeakPolarHBondContact O-CB 3.37Å; L16-M20 WeakPolarHBondContact O-CG 3.48Å; L16-M20 PolarHBondContact O-N 3.29Å; L16-N36 HydrophobicContact CD1-CB 4.27Å; L16-V55 HydrophobicContact CB-CG1 4.13Å; L16-V55 HydrophobicContact CD1-CG1 4.46Å; L16-V55 HydrophobicContact CD2-CG1 4.17Å; L16-T56 WeakPolarHBondContact CD2-O 3.23Å; L16-T57 HydrophobicContact CD2-CG2 3.4Å; L16-T57 HydrophobicContact CG-CG2 4.13Å | ||
| 17 | E | 90.6 | Very high | 92 | Very high | 124 Ų | 124 | 39.4 Ų | 39.4 | 58% | 0.579 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -56.4 | -41.1 | -171.5 | -65 | 177.6 | 156.4 | 0 | 0 | 112.3 | L15 Y21 | L15-E17 HydrophobicContact CB-CG 3.96Å; L15-E17 PolarHBondContact O-N 3.47Å; L15-E17 VanDerWaalsContact O-N 3.09Å; E17-Y21 WeakPolarHBondContact O-CB 3.29Å; E17-Y21 PolarHBondContact O-N 2.87Å |
| 18 | N | 91.3 | Very high | 91.8 | Very high | 42 Ų | 42 | 42.9 Ų | 42.9 | 23% | 0.225 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -73.3 | -45.9 | -179.7 | -50.4 | -68.4 | 0 | 0 | 0 | 110.6 | D10 L16 M20 Y21 I22 Y77 | D10-N18 PolarHBondContact OD1-ND2 2.63Å; D10-N18 VanDerWaalsContact OD2-CB 3.31Å; D10-N18 WeakPolarHBondContact OD2-CB 3.34Å; D10-N18 PolarHBondContact OD2-N 2.51Å; D10-N18 VanDerWaalsContact OD2-N 3.08Å; D10-N18 PolarHBondContact OD2-ND2 3.33Å; L16-N18 VanDerWaalsContact C-N 3.27Å; L16-N18 PolarHBondContact O-N 3.37Å; N18-M20 VanDerWaalsContact C-N 3.29Å; N18-M20 PolarHBondContact O-N 3.26Å; N18-Y21 WeakPolarHBondContact O-CB 3.44Å; N18-Y21 PolarHBondContact O-N 3.1Å; N18-I22 WeakPolarHBondContact O-CG1 3.44Å; N18-I22 PolarHBondContact O-N 3.39Å; N18-Y77 HydrophobicContact CB-CD1 3.47Å; N18-Y77 VanDerWaalsContact CB-CD1 3.47Å; N18-Y77 HydrophobicContact CB-CD2 4.14Å; N18-Y77 HydrophobicContact CB-CE1 3.34Å; N18-Y77 HydrophobicContact CB-CE2 4Å; N18-Y77 HydrophobicContact CB-CG 3.88Å; N18-Y77 VanDerWaalsContact CG-CE1 3.41Å |
| 19 | G | 92.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61 | -38.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | D10 L16 I22 A23 V55 | D10-G19 PolarHBondContact OD2-N 3.3Å; D10-G19 VanDerWaalsContact OD2-N 3.14Å; L16-G19 PolarHBondContact O-N 3.28Å; G19-I22 PolarHBondContact O-N 2.93Å; G19-A23 VanDerWaalsContact O-CB 3.29Å; G19-A23 WeakPolarHBondContact O-CB 3.24Å; G19-A23 PolarHBondContact O-N 3.03Å; G19-V55 VanDerWaalsContact CA-CG1 3.49Å |
| 20 | M | 92.8 | Very high | 90.5 | Very high | 24 Ų | 24 | 56.4 Ų | 56.4 | 12% | 0.118 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65.6 | -41.3 | 174 | -71 | -56.5 | 147.2 | 0 | 0 | 112.2 | L16 N18 A23 G24 L31 N36 V55 | L16-M20 HydrophobicContact CB-CE 3.84Å; L16-M20 HydrophobicContact CB-CG 4.16Å; L16-M20 HydrophobicContact CD1-CE 3.71Å; L16-M20 HydrophobicContact CG-CE 4.43Å; L16-M20 WeakPolarHBondContact O-CB 3.37Å; L16-M20 WeakPolarHBondContact O-CG 3.48Å; L16-M20 PolarHBondContact O-N 3.29Å; N18-M20 VanDerWaalsContact C-N 3.29Å; N18-M20 PolarHBondContact O-N 3.26Å; M20-A23 PolarHBondContact O-N 3.34Å; M20-G24 PolarHBondContact O-N 2.82Å; M20-L31 HydrophobicContact CB-CB 4.47Å; M20-L31 HydrophobicContact SD-CB 3.68Å; M20-L31 HydrophobicContact SD-CD1 4.04Å; M20-L31 HydrophobicContact SD-CG 4.35Å; M20-N36 VanDerWaalsContact CE-CA 3.48Å; M20-N36 HydrophobicContact CE-CB 3.48Å; M20-N36 VanDerWaalsContact CE-CB 3.48Å; M20-V55 HydrophobicContact CE-CB 3.37Å; M20-V55 HydrophobicContact CE-CG1 3.87Å; M20-V55 HydrophobicContact CE-CG2 3.63Å; M20-V55 HydrophobicContact SD-CB 4.29Å; M20-V55 HydrophobicContact SD-CG2 3.89Å |
| 21 | Y | 92.3 | Very high | 89.7 | Confident | 152 Ų | 152 | 58 Ų | 58 | 60% | 0.596 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -59.9 | -48.3 | 175.1 | 173 | -101.4 | 0 | 0 | 0 | 111.2 | E17 N18 G24 A25 | E17-Y21 WeakPolarHBondContact O-CB 3.29Å; E17-Y21 PolarHBondContact O-N 2.87Å; N18-Y21 WeakPolarHBondContact O-CB 3.44Å; N18-Y21 PolarHBondContact O-N 3.1Å; Y21-G24 PolarHBondContact O-N 2.87Å; Y21-A25 WeakPolarHBondContact O-CB 2.95Å; Y21-A25 PolarHBondContact O-N 3.11Å |
| 22 | I | 94.2 | Very high | 88.5 | Confident | 1 Ų | 1 | 60.7 Ų | 60.7 | 1% | 0.005 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.8 | -47.6 | 177.5 | -62.2 | -57.4 | 0 | 0 | 0 | 111.3 | I8 N18 G19 G24 A25 L26 Y77 L105 L132 L151 | I8-I22 HydrophobicContact CD1-CB 4.48Å; I8-I22 HydrophobicContact CD1-CG2 4.05Å; N18-I22 WeakPolarHBondContact O-CG1 3.44Å; N18-I22 PolarHBondContact O-N 3.39Å; G19-I22 PolarHBondContact O-N 2.93Å; I22-G24 VanDerWaalsContact C-N 3.28Å; I22-G24 PolarHBondContact O-N 2.91Å; I22-A25 PolarHBondContact O-N 3.47Å; I22-L26 HydrophobicContact CG2-CD1 3.92Å; I22-L26 HydrophobicContact CG2-CG 4.3Å; I22-L26 VanDerWaalsContact O-CG 3.3Å; I22-L26 WeakPolarHBondContact O-CG 3.18Å; I22-L26 PolarHBondContact O-N 2.81Å; I22-Y77 HydrophobicContact CD1-CD2 4.39Å; I22-Y77 HydrophobicContact CD1-CE2 4.24Å; I22-Y77 HydrophobicContact CG1-CD2 3.86Å; I22-Y77 HydrophobicContact CG1-CE2 4.1Å; I22-L105 HydrophobicContact CD1-CD1 4.33Å; I22-L105 HydrophobicContact CG1-CD1 4.19Å; I22-L105 HydrophobicContact CG2-CD1 4.07Å; I22-L132 HydrophobicContact CD1-CD1 3.65Å; I22-L132 HydrophobicContact CD1-CD2 4.18Å; I22-L151 HydrophobicContact CD1-CD2 4.22Å |
| 23 | A | 95 | Very high | 87.1 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -58.6 | -42.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | I8 G19 M20 L26 T27 L31 V53 V55 | I8-A23 HydrophobicContact CD1-CB 3.71Å; G19-A23 VanDerWaalsContact O-CB 3.29Å; G19-A23 WeakPolarHBondContact O-CB 3.24Å; G19-A23 PolarHBondContact O-N 3.03Å; M20-A23 PolarHBondContact O-N 3.34Å; A23-L26 PolarHBondContact O-N 3.43Å; A23-T27 WeakPolarHBondContact O-CB 3.35Å; A23-T27 VanDerWaalsContact O-CG2 3.23Å; A23-T27 WeakPolarHBondContact O-CG2 3.43Å; A23-T27 PolarHBondContact O-N 2.75Å; A23-T27 PolarHBondContact O-OG1 2.86Å; A23-L31 HydrophobicContact CB-CD1 3.28Å; A23-V53 HydrophobicContact CB-CG1 3.99Å; A23-V55 HydrophobicContact CB-CG2 3.67Å |
| 24 | G | 94.3 | Very high | 86.4 | Confident | 15 Ų | 15 | 69.1 Ų | 69.1 | 16% | 0.155 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -66.3 | -40.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | M20 Y21 I22 T27 G28 Q29 | M20-G24 PolarHBondContact O-N 2.82Å; Y21-G24 PolarHBondContact O-N 2.87Å; I22-G24 VanDerWaalsContact C-N 3.28Å; I22-G24 PolarHBondContact O-N 2.91Å; G24-T27 PolarHBondContact O-N 2.82Å; G24-G28 WeakPolarHBondContact O-CA 3.37Å; G24-G28 PolarHBondContact O-N 3.39Å; G24-Q29 WeakPolarHBondContact CA-O 3.28Å; G24-Q29 PolarHBondContact O-N 3.06Å |
| 25 | A | 93.7 | Very high | 86.1 | Confident | 43 Ų | 43 | 65.7 Ų | 65.7 | 36% | 0.355 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -64 | -40 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y21 I22 L151 | Y21-A25 WeakPolarHBondContact O-CB 2.95Å; Y21-A25 PolarHBondContact O-N 3.11Å; I22-A25 PolarHBondContact O-N 3.47Å; A25-L151 HydrophobicContact CB-CD1 3.79Å; A25-L151 HydrophobicContact CB-CD2 4.13Å |
| 26 | L | 94.5 | Very high | 86.2 | Confident | 9 Ų | 9 | 62.5 Ų | 62.5 | 5% | 0.047 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -70.1 | -44.6 | 177.4 | -68.4 | 173.8 | 0 | 0 | 0 | 112.2 | I8 I22 A23 W40 I75 I154 I155 | I8-L26 HydrophobicContact CD1-CD1 4.3Å; I22-L26 HydrophobicContact CG2-CD1 3.92Å; I22-L26 HydrophobicContact CG2-CG 4.3Å; I22-L26 VanDerWaalsContact O-CG 3.3Å; I22-L26 WeakPolarHBondContact O-CG 3.18Å; I22-L26 PolarHBondContact O-N 2.81Å; A23-L26 PolarHBondContact O-N 3.43Å; L26-W40 HydrophobicContact CB-CH2 4.2Å; L26-W40 HydrophobicContact CB-CZ3 4.2Å; L26-W40 HydrophobicContact CD2-CH2 4.38Å; L26-W40 VanDerWaalsContact O-CE2 3.25Å; L26-W40 VanDerWaalsContact O-CZ2 3.29Å; L26-W40 WeakPolarHBondContact O-CZ2 3.25Å; L26-W40 PolarHBondContact O-NE1 3.35Å; L26-I75 HydrophobicContact CD1-CD1 4.4Å; L26-I154 HydrophobicContact CD1-CG2 4.03Å; L26-I154 HydrophobicContact CD2-CB 4.12Å; L26-I154 HydrophobicContact CD2-CG2 3.75Å; L26-I155 HydrophobicContact CD2-CG1 3.79Å |
| 27 | T | 93.4 | Very high | 86.2 | Confident | 16 Ų | 16 | 63.1 Ų | 63.1 | 10% | 0.098 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -89.4 | -15.5 | -171 | 63.7 | 0 | 0 | 0 | 0 | 113.9 | A23 G24 Q29 W40 V53 | A23-T27 WeakPolarHBondContact O-CB 3.35Å; A23-T27 VanDerWaalsContact O-CG2 3.23Å; A23-T27 WeakPolarHBondContact O-CG2 3.43Å; A23-T27 PolarHBondContact O-N 2.75Å; A23-T27 PolarHBondContact O-OG1 2.86Å; G24-T27 PolarHBondContact O-N 2.82Å; T27-Q29 PolarHBondContact O-N 3.08Å; T27-Q29 WeakPolarHBondContact OG1-CB 2.87Å; T27-Q29 PolarHBondContact OG1-N 3.3Å; T27-W40 HydrophobicContact CG2-CB 3.6Å; T27-W40 HydrophobicContact CG2-CD2 4.19Å; T27-W40 HydrophobicContact CG2-CE3 4.47Å; T27-W40 HydrophobicContact CG2-CG 3.81Å; T27-V53 HydrophobicContact CG2-CB 4.24Å; T27-V53 HydrophobicContact CG2-CG2 3.93Å |
| 28 | G | 91.7 | Very high | 86.3 | Confident | 74 Ų | 74 | 57.5 Ų | 57.5 | 76% | 0.763 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.1 | 15.8 | -170 | 0 | 0 | 0 | 0 | 0 | 113.6 | G24 | G24-G28 WeakPolarHBondContact O-CA 3.37Å; G24-G28 PolarHBondContact O-N 3.39Å |
| 29 | Q | 86.4 | Confident | 86.3 | Confident | 86 Ų | 86 | 59.6 Ų | 59.6 | 40% | 0.402 | 36% | 0.359 | S | S | . | . | trans | -106.2 | 141.4 | -179.4 | -62.6 | 176.8 | 17.4 | 0 | 0 | 110.3 | G24 T27 L31 S38 S39 | G24-Q29 WeakPolarHBondContact CA-O 3.28Å; G24-Q29 PolarHBondContact O-N 3.06Å; T27-Q29 PolarHBondContact O-N 3.08Å; T27-Q29 WeakPolarHBondContact OG1-CB 2.87Å; T27-Q29 PolarHBondContact OG1-N 3.3Å; Q29-L31 PolarHBondContact O-N 3Å; Q29-S38 PolarHBondContact OE1-OG 3.37Å; Q29-S39 PolarHBondContact NE2-O 3.43Å | ||
| 30 | Q | 76.6 | Confident | 86.4 | Confident | 198 Ų | 198 | 60.9 Ų | 60.9 | 93% | 0.925 | 36% | 0.364 | S | S | * | . | trans | -79.2 | 113.8 | 164.8 | -83.7 | -153.8 | -21.3 | 0 | 0 | 109.2 | ||||
| 31 | L | 75.2 | Confident | 86.5 | Confident | 34 Ų | 34 | 67.1 Ų | 67.1 | 18% | 0.178 | 39% | 0.386 | C | S | . | . | trans | -89.6 | 113.5 | 170.4 | -77.2 | 165.3 | 0 | 0 | 0 | 109 | M20 A23 Q29 S35 S38 | M20-L31 HydrophobicContact CB-CB 4.47Å; M20-L31 HydrophobicContact SD-CB 3.68Å; M20-L31 HydrophobicContact SD-CD1 4.04Å; M20-L31 HydrophobicContact SD-CG 4.35Å; A23-L31 HydrophobicContact CB-CD1 3.28Å; Q29-L31 PolarHBondContact O-N 3Å; L31-S35 WeakPolarHBondContact CD2-O 3.38Å; L31-S38 WeakPolarHBondContact CD1-OG 3.4Å; L31-S38 WeakPolarHBondContact CD2-OG 3.26Å; L31-S38 VanDerWaalsContact CG-OG 3.28Å; L31-S38 WeakPolarHBondContact CG-OG 3.45Å | ||
| 32 | S | 68.1 | Low | 86.5 | Confident | 80 Ų | 80 | 60.1 Ų | 60.1 | 56% | 0.559 | 36% | 0.359 | S | S | * | . | trans | -98.3 | 150.5 | 167.7 | 58.5 | 0 | 0 | 0 | 0 | 109.2 | E34 S35 | S32-E34 PolarHBondContact O-N 3.31Å; S32-S35 PolarHBondContact O-N 3.15Å; S32-S35 VanDerWaalsContact O-N 3.15Å | ||
| 33 | G | 61.9 | Low | 86.3 | Confident | 85 Ų | 85 | 63.1 Ų | 63.1 | 88% | 0.876 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | 6.7 | -170.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||
| 34 | E | 68.3 | Low | 85.9 | Confident | 189 Ų | 189 | 64.5 Ų | 64.5 | 88% | 0.883 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | -29.1 | 170.6 | -66.5 | -173.4 | 166.6 | 0 | 0 | 112.9 | S32 | S32-E34 PolarHBondContact O-N 3.31Š|
| 35 | S | 79.2 | Confident | 85.6 | Confident | 57 Ų | 57 | 73.2 Ų | 73.2 | 40% | 0.399 | 42% | 0.422 | S | S | . | . | trans | -133.9 | 120.9 | 176.4 | 179.8 | 0 | 0 | 0 | 0 | 109.9 | L31 S32 T37 | L31-S35 WeakPolarHBondContact CD2-O 3.38Å; S32-S35 PolarHBondContact O-N 3.15Å; S32-S35 VanDerWaalsContact O-N 3.15Å; S35-T37 PolarHBondContact O-N 3.45Å; S35-T37 PolarHBondContact OG-N 3.18Å; S35-T37 PolarHBondContact OG-O 2.85Å | ||
| 36 | N | 88.2 | Confident | 85.3 | Confident | 61 Ų | 61 | 81 Ų | 81 | 33% | 0.326 | 44% | 0.444 | S | S | . | . | S | Bend | trans | -86.7 | 11.1 | 173.8 | 68.4 | -18.1 | 0 | 0 | 0 | 113.1 | L16 M20 W54 V55 | L16-N36 HydrophobicContact CD1-CB 4.27Å; M20-N36 VanDerWaalsContact CE-CA 3.48Å; M20-N36 HydrophobicContact CE-CB 3.48Å; M20-N36 VanDerWaalsContact CE-CB 3.48Å; N36-W54 CarbonylContact O-C 3.56Å; N36-W54 VanDerWaalsContact O-CA 3.23Å; N36-W54 WeakPolarHBondContact O-CA 3.42Å; N36-V55 WeakPolarHBondContact CB-O 3.49Å; N36-V55 PolarHBondContact ND2-O 3.3Å; N36-V55 PolarHBondContact O-N 3Å |
| 37 | T | 90.6 | Very high | 84.9 | Confident | 36 Ų | 36 | 84.6 Ų | 84.6 | 22% | 0.221 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 139.3 | -172.8 | -58.8 | 0 | 0 | 0 | 0 | 110.9 | S35 N52 V53 W54 | S35-T37 PolarHBondContact O-N 3.45Å; S35-T37 PolarHBondContact OG-N 3.18Å; S35-T37 PolarHBondContact OG-O 2.85Å; T37-N52 WeakPolarHBondContact CG2-OD1 3.41Å; T37-V53 CarbonylContact C-O 3.54Å; T37-V53 WeakPolarHBondContact CA-O 3.44Å; T37-W54 HydrophobicContact CG2-CB 4.13Å; T37-W54 WeakPolarHBondContact OG1-CB 3.32Å |
| 38 | S | 91.9 | Very high | 84.8 | Confident | 5 Ų | 5 | 86.5 Ų | 86.5 | 4% | 0.035 | 47% | 0.467 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 137.8 | -179.2 | -78.3 | 0 | 0 | 0 | 0 | 112 | Q29 L31 V53 | Q29-S38 PolarHBondContact OE1-OG 3.37Å; L31-S38 WeakPolarHBondContact CD1-OG 3.4Å; L31-S38 WeakPolarHBondContact CD2-OG 3.26Å; L31-S38 VanDerWaalsContact CG-OG 3.28Å; L31-S38 WeakPolarHBondContact CG-OG 3.45Å; S38-V53 PolarHBondContact N-O 3.41Å; S38-V53 PolarHBondContact O-N 2.99Å |
| 39 | S | 92.6 | Very high | 84.8 | Confident | 86 Ų | 86 | 83.8 Ų | 83.8 | 60% | 0.601 | 44% | 0.435 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 131.2 | 169 | -64.5 | 0 | 0 | 0 | 0 | 110.6 | Q29 | Q29-S39 PolarHBondContact NE2-O 3.43Å |
| 40 | W | 94.6 | Very high | 85.1 | Confident | 28 Ų | 28 | 83.5 Ų | 83.5 | 11% | 0.106 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 124.7 | -179.6 | -178.7 | 33.6 | 0 | 0 | 0 | 111.2 | L26 T27 L42 L51 V53 I155 L158 | L26-W40 HydrophobicContact CB-CH2 4.2Å; L26-W40 HydrophobicContact CB-CZ3 4.2Å; L26-W40 HydrophobicContact CD2-CH2 4.38Å; L26-W40 VanDerWaalsContact O-CE2 3.25Å; L26-W40 VanDerWaalsContact O-CZ2 3.29Å; L26-W40 WeakPolarHBondContact O-CZ2 3.25Å; L26-W40 PolarHBondContact O-NE1 3.35Å; T27-W40 HydrophobicContact CG2-CB 3.6Å; T27-W40 HydrophobicContact CG2-CD2 4.19Å; T27-W40 HydrophobicContact CG2-CE3 4.47Å; T27-W40 HydrophobicContact CG2-CG 3.81Å; W40-L42 HydrophobicContact CD2-CB 4.45Å; W40-L42 HydrophobicContact CH2-CD1 3.75Å; W40-L42 HydrophobicContact CZ2-CB 4.45Å; W40-L42 HydrophobicContact CZ2-CD1 3.56Å; W40-L42 PolarHBondContact O-N 3.47Å; W40-L51 HydrophobicContact CB-CB 4.43Å; W40-L51 HydrophobicContact CD2-CD1 4.49Å; W40-L51 HydrophobicContact CE3-CB 4.44Å; W40-L51 HydrophobicContact CE3-CD1 3.66Å; W40-L51 HydrophobicContact CZ3-CD1 3.88Å; W40-L51 PolarHBondContact N-O 2.86Å; W40-L51 PolarHBondContact O-N 3.19Å; W40-V53 HydrophobicContact CB-CG2 4.18Å; W40-V53 HydrophobicContact CE3-CG2 3.92Å; W40-I155 HydrophobicContact CH2-CG1 4.15Å; W40-I155 HydrophobicContact CZ2-CG1 4.43Å; W40-L158 HydrophobicContact CH2-CD1 4.17Å; W40-L158 HydrophobicContact CZ3-CD1 3.65Å |
| 41 | R | 94.1 | Very high | 86 | Confident | 155 Ų | 155 | 74.2 Ų | 74.2 | 59% | 0.585 | 39% | 0.393 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 101.2 | 169.9 | -172.7 | -178.3 | -180 | 172.6 | 1.1 | 108.4 | C43 D48 V49 | R41-C43 PolarHBondContact O-N 3.09Å; R41-D48 HydrophobicContact CG-CB 4.35Å; R41-D48 IonicContact CZ-OD2 3.58Å; R41-D48 IonicContact NE-OD2 3.21Å; R41-D48 PolarHBondContact NE-OD2 3.39Å; R41-D48 IonicContact NH2-OD2 2.66Å; R41-D48 PolarHBondContact NH2-OD2 2.88Å; R41-V49 WeakPolarHBondContact CA-O 3.42Å |
| 42 | L | 92.9 | Very high | 86.9 | Confident | 4 Ų | 4 | 74 Ų | 74 | 2% | 0.021 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 111 | 174.1 | 177.7 | 61.5 | 0 | 0 | 0 | 108.6 | W40 D48 V49 L51 I155 L158 Q159 | W40-L42 HydrophobicContact CD2-CB 4.45Å; W40-L42 HydrophobicContact CH2-CD1 3.75Å; W40-L42 HydrophobicContact CZ2-CB 4.45Å; W40-L42 HydrophobicContact CZ2-CD1 3.56Å; W40-L42 PolarHBondContact O-N 3.47Å; L42-D48 WeakPolarHBondContact O-CA 3.21Å; L42-V49 HydrophobicContact CB-CG1 3.76Å; L42-V49 HydrophobicContact CD2-CG1 4.16Å; L42-V49 HydrophobicContact CG-CG1 4.26Å; L42-V49 PolarHBondContact N-O 2.83Å; L42-V49 PolarHBondContact O-N 2.9Å; L42-L51 HydrophobicContact CB-CD1 3.87Å; L42-L51 HydrophobicContact CB-CG 4.31Å; L42-L51 HydrophobicContact CD2-CD1 3.82Å; L42-I155 HydrophobicContact CD1-CG2 4.11Å; L42-L158 HydrophobicContact CD2-CB 3.88Å; L42-Q159 HydrophobicContact CD1-CG 3.67Å; L42-Q159 HydrophobicContact CD2-CB 4.48Å; L42-Q159 HydrophobicContact CD2-CG 3.81Å; L42-Q159 HydrophobicContact CG-CG 3.9Å |
| 43 | C | 90.1 | Very high | 88.1 | Confident | 65 Ų | 65 | 70.2 Ų | 70.2 | 44% | 0.439 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 133.7 | 179.2 | -54.4 | 0 | 0 | 0 | 0 | 110.2 | R41 D48 Q159 | R41-C43 PolarHBondContact O-N 3.09Å; C43-D48 WeakPolarHBondContact CA-OD1 3.35Å; C43-D48 WeakPolarHBondContact CB-OD1 3.29Å; C43-Q159 PolarHBondContact O-NE2 2.99Å; C43-Q159 VanDerWaalsContact O-NE2 3.1Å |
| 44 | T | 86.7 | Confident | 89.6 | Confident | 29 Ų | 29 | 66.6 Ų | 66.6 | 18% | 0.178 | 33% | 0.326 | C | S | . | . | trans | -114 | 178.9 | 167.3 | 77.8 | 0 | 0 | 0 | 0 | 109.9 | Y46 Y47 Q159 | T44-Y46 PolarHBondContact O-N 3.12Å; T44-Y46 PolarHBondContact OG1-N 3.01Å; T44-Y46 VanDerWaalsContact OG1-N 3.07Å; T44-Y47 HydrophobicContact CG2-CD2 4.26Å; T44-Y47 HydrophobicContact CG2-CE1 4.4Å; T44-Y47 HydrophobicContact CG2-CE2 3.7Å; T44-Y47 PolarHBondContact N-O 3.09Å; T44-Y47 PolarHBondContact OG1-N 3.29Å; T44-Y47 PolarHBondContact OG1-O 2.89Å; T44-Q159 HydrophobicContact CG2-CB 3.97Å; T44-Q159 HydrophobicContact CG2-CG 3.81Å | ||
| 45 | K | 86.1 | Confident | 90.9 | Very high | 197 Ų | 197 | 57.6 Ų | 57.6 | 86% | 0.857 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -66.6 | -19.4 | 171.1 | -70.7 | -177.4 | 179.9 | 175.4 | 0 | 113 | ||
| 46 | Y | 87.3 | Confident | 91.5 | Very high | 208 Ų | 208 | 55.1 Ų | 55.1 | 82% | 0.816 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -114.8 | -27 | -166.7 | -55.6 | -65.8 | 0 | 0 | 0 | 113.3 | T44 | T44-Y46 PolarHBondContact O-N 3.12Å; T44-Y46 PolarHBondContact OG1-N 3.01Å; T44-Y46 VanDerWaalsContact OG1-N 3.07Å |
| 47 | Y | 87.6 | Confident | 91.7 | Very high | 84 Ų | 84 | 52.5 Ų | 52.5 | 33% | 0.329 | 25% | 0.252 | S | S | . | . | trans | -162.9 | 167.9 | -178.1 | 55.9 | -91.7 | 0 | 0 | 0 | 110.7 | T44 Q159 F162 | T44-Y47 HydrophobicContact CG2-CD2 4.26Å; T44-Y47 HydrophobicContact CG2-CE1 4.4Å; T44-Y47 HydrophobicContact CG2-CE2 3.7Å; T44-Y47 PolarHBondContact N-O 3.09Å; T44-Y47 PolarHBondContact OG1-N 3.29Å; T44-Y47 PolarHBondContact OG1-O 2.89Å; Y47-Q159 PolarHBondContact OH-O 2.77Å; Y47-F162 VanDerWaalsContact CE2-C 3.45Å; Y47-F162 WeakPolarHBondContact CE2-O 3.26Å; Y47-F162 WeakPolarHBondContact CE2-OXT 3.36Å; Y47-F162 PolarHBondContact OH-OXT 3.26Å | ||
| 48 | D | 90.3 | Very high | 91.7 | Very high | 56 Ų | 56 | 51.9 Ų | 51.9 | 30% | 0.299 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 142.5 | 170.4 | -55.7 | -32.2 | 0 | 0 | 0 | 109.2 | R41 L42 C43 | R41-D48 HydrophobicContact CG-CB 4.35Å; R41-D48 IonicContact CZ-OD2 3.58Å; R41-D48 IonicContact NE-OD2 3.21Å; R41-D48 PolarHBondContact NE-OD2 3.39Å; R41-D48 IonicContact NH2-OD2 2.66Å; R41-D48 PolarHBondContact NH2-OD2 2.88Å; L42-D48 WeakPolarHBondContact O-CA 3.21Å; C43-D48 WeakPolarHBondContact CA-OD1 3.35Å; C43-D48 WeakPolarHBondContact CB-OD1 3.29Å |
| 49 | V | 91.4 | Very high | 91.5 | Very high | 17 Ų | 17 | 53.9 Ų | 53.9 | 10% | 0.103 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 141.8 | 171.8 | 65.7 | 0 | 0 | 0 | 0 | 109.8 | E4 R41 L42 L51 F162 | E4-V49 HydrophobicContact CG-CG2 4.33Å; R41-V49 WeakPolarHBondContact CA-O 3.42Å; L42-V49 HydrophobicContact CB-CG1 3.76Å; L42-V49 HydrophobicContact CD2-CG1 4.16Å; L42-V49 HydrophobicContact CG-CG1 4.26Å; L42-V49 PolarHBondContact N-O 2.83Å; L42-V49 PolarHBondContact O-N 2.9Å; V49-L51 HydrophobicContact CG1-CD1 4.5Å; V49-L51 HydrophobicContact CG1-CD2 3.9Å; V49-L51 HydrophobicContact CG1-CG 4.08Å; V49-L51 HydrophobicContact CG2-CD2 3.93Å; V49-F162 HydrophobicContact CB-CB 4.21Å; V49-F162 HydrophobicContact CG1-CB 3.74Å; V49-F162 HydrophobicContact CG2-CB 4.08Å |
| 50 | N | 93.6 | Very high | 91.3 | Very high | 80 Ų | 80 | 54.3 Ų | 54.3 | 43% | 0.428 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 121 | 171 | -65.3 | -47.5 | 0 | 0 | 0 | 108.2 | V3 E4 | V3-N50 WeakPolarHBondContact CA-O 3.04Å; V3-N50 HydrophobicContact CG2-CB 4.23Å; E4-N50 PolarHBondContact N-O 2.92Å; E4-N50 VanDerWaalsContact N-O 3.08Å |
| 51 | L | 94.6 | Very high | 90.9 | Very high | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.01 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 143.4 | 177.3 | -55.7 | -178.7 | 0 | 0 | 0 | 109.4 | E4 V6 W40 L42 V49 V53 F162 | E4-L51 HydrophobicContact CB-CD2 3.84Å; E4-L51 CarbonylContact O-C 3.59Å; E4-L51 VanDerWaalsContact O-CA 3.29Å; E4-L51 WeakPolarHBondContact O-CA 3.47Å; V6-L51 HydrophobicContact CG2-CB 4.27Å; V6-L51 HydrophobicContact CG2-CD1 4.08Å; V6-L51 HydrophobicContact CG2-CD2 4.4Å; V6-L51 HydrophobicContact CG2-CG 4.48Å; W40-L51 HydrophobicContact CB-CB 4.43Å; W40-L51 HydrophobicContact CD2-CD1 4.49Å; W40-L51 HydrophobicContact CE3-CB 4.44Å; W40-L51 HydrophobicContact CE3-CD1 3.66Å; W40-L51 HydrophobicContact CZ3-CD1 3.88Å; W40-L51 PolarHBondContact N-O 2.86Å; W40-L51 PolarHBondContact O-N 3.19Å; L42-L51 HydrophobicContact CB-CD1 3.87Å; L42-L51 HydrophobicContact CB-CG 4.31Å; L42-L51 HydrophobicContact CD2-CD1 3.82Å; V49-L51 HydrophobicContact CG1-CD1 4.5Å; V49-L51 HydrophobicContact CG1-CD2 3.9Å; V49-L51 HydrophobicContact CG1-CG 4.08Å; V49-L51 HydrophobicContact CG2-CD2 3.93Å; L51-V53 HydrophobicContact CB-CG2 4.48Å; L51-F162 HydrophobicContact CD1-CD2 4.31Å; L51-F162 HydrophobicContact CD2-CD1 4.39Å; L51-F162 HydrophobicContact CD2-CD2 3.74Å; L51-F162 HydrophobicContact CD2-CE2 3.93Å; L51-F162 HydrophobicContact CD2-CG 3.98Å; L51-F162 HydrophobicContact CD2-CZ 4.33Å |
| 52 | N | 94.1 | Very high | 90.5 | Very high | 31 Ų | 31 | 49.4 Ų | 49.4 | 17% | 0.166 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 103.5 | 165.6 | -174.1 | 45.7 | 0 | 0 | 0 | 107.8 | V3 E4 N5 V6 T37 | V3-N52 HydrophobicContact CG1-CB 3.68Å; E4-N52 PolarHBondContact O-N 3.49Å; N5-N52 WeakPolarHBondContact CA-O 2.89Å; N5-N52 WeakPolarHBondContact OD1-CB 3.4Å; N5-N52 PolarHBondContact OD1-ND2 2.87Å; V6-N52 PolarHBondContact N-O 2.86Å; T37-N52 WeakPolarHBondContact CG2-OD1 3.41Å |
| 53 | V | 94.8 | Very high | 90 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 120 | 179.2 | -176.6 | 0 | 0 | 0 | 0 | 107.6 | V6 I8 A23 T27 T37 S38 W40 L51 | V6-V53 HydrophobicContact CB-CG2 4.31Å; V6-V53 WeakPolarHBondContact O-CA 3.49Å; I8-V53 HydrophobicContact CD1-CG1 3.56Å; I8-V53 HydrophobicContact CG1-CG1 4.33Å; A23-V53 HydrophobicContact CB-CG1 3.99Å; T27-V53 HydrophobicContact CG2-CB 4.24Å; T27-V53 HydrophobicContact CG2-CG2 3.93Å; T37-V53 CarbonylContact C-O 3.54Å; T37-V53 WeakPolarHBondContact CA-O 3.44Å; S38-V53 PolarHBondContact N-O 3.41Å; S38-V53 PolarHBondContact O-N 2.99Å; W40-V53 HydrophobicContact CB-CG2 4.18Å; W40-V53 HydrophobicContact CE3-CG2 3.92Å; L51-V53 HydrophobicContact CB-CG2 4.48Å |
| 54 | W | 93.7 | Very high | 88.9 | Confident | 9 Ų | 9 | 57 Ų | 57 | 3% | 0.034 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 146.5 | 177.5 | 62.6 | -78.3 | 0 | 0 | 0 | 110.4 | V6 A7 I8 N36 T37 T56 L61 Q67 V68 | V6-W54 PolarHBondContact O-N 3Å; A7-W54 CarbonylContact C-O 3.14Å; A7-W54 WeakPolarHBondContact CA-O 3.1Å; A7-W54 HydrophobicContact CB-CD2 4.34Å; A7-W54 HydrophobicContact CB-CH2 3.93Å; A7-W54 HydrophobicContact CB-CZ2 3.29Å; I8-W54 PolarHBondContact N-O 2.74Å; N36-W54 CarbonylContact O-C 3.56Å; N36-W54 VanDerWaalsContact O-CA 3.23Å; N36-W54 WeakPolarHBondContact O-CA 3.42Å; T37-W54 HydrophobicContact CG2-CB 4.13Å; T37-W54 WeakPolarHBondContact OG1-CB 3.32Å; W54-T56 HydrophobicContact CE3-CG2 4.1Å; W54-T56 HydrophobicContact CH2-CG2 3.84Å; W54-T56 HydrophobicContact CZ3-CG2 3.37Å; W54-L61 HydrophobicContact CH2-CD1 3.94Å; W54-Q67 HydrophobicContact CD2-CG 4.41Å; W54-V68 HydrophobicContact CH2-CG2 3.79Å; W54-V68 HydrophobicContact CZ2-CG2 4.34Å |
| 55 | V | 93.9 | Very high | 87.8 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 138.9 | -175.5 | -166.6 | 0 | 0 | 0 | 0 | 109.3 | I8 L16 G19 M20 A23 N36 | I8-V55 HydrophobicContact CB-CG1 4.34Å; I8-V55 HydrophobicContact CB-CG2 4.36Å; I8-V55 HydrophobicContact CG2-CG1 4.27Å; I8-V55 CarbonylContact O-C 3.57Å; I8-V55 WeakPolarHBondContact O-CA 3.34Å; L16-V55 HydrophobicContact CB-CG1 4.13Å; L16-V55 HydrophobicContact CD1-CG1 4.46Å; L16-V55 HydrophobicContact CD2-CG1 4.17Å; G19-V55 VanDerWaalsContact CA-CG1 3.49Å; M20-V55 HydrophobicContact CE-CB 3.37Å; M20-V55 HydrophobicContact CE-CG1 3.87Å; M20-V55 HydrophobicContact CE-CG2 3.63Å; M20-V55 HydrophobicContact SD-CB 4.29Å; M20-V55 HydrophobicContact SD-CG2 3.89Å; A23-V55 HydrophobicContact CB-CG2 3.67Å; N36-V55 WeakPolarHBondContact CB-O 3.49Å; N36-V55 PolarHBondContact ND2-O 3.3Å; N36-V55 PolarHBondContact O-N 3Å |
| 56 | T | 92.5 | Very high | 87 | Confident | 5 Ų | 5 | 53.7 Ų | 53.7 | 3% | 0.031 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 162.9 | -174.7 | -167.4 | 0 | 0 | 0 | 0 | 111.8 | I8 V9 D10 L16 W54 D60 L61 | I8-T56 PolarHBondContact O-N 3.25Å; V9-T56 CarbonylContact C-O 3.5Å; V9-T56 WeakPolarHBondContact CA-O 3.36Å; V9-T56 HydrophobicContact CB-CG2 4.34Å; V9-T56 HydrophobicContact CG1-CG2 4.37Å; V9-T56 HydrophobicContact CG2-CG2 3.81Å; D10-T56 PolarHBondContact N-O 2.76Å; L16-T56 WeakPolarHBondContact CD2-O 3.23Å; W54-T56 HydrophobicContact CE3-CG2 4.1Å; W54-T56 HydrophobicContact CH2-CG2 3.84Å; W54-T56 HydrophobicContact CZ3-CG2 3.37Å; T56-D60 VanDerWaalsContact OG1-CB 3.26Å; T56-D60 WeakPolarHBondContact OG1-CB 3.23Å; T56-L61 HydrophobicContact CG2-CD1 3.91Å |
| 57 | T | 91.6 | Very high | 86.3 | Confident | 5 Ų | 5 | 47.1 Ų | 47.1 | 3% | 0.031 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 166.8 | 173.5 | 72.2 | 0 | 0 | 0 | 0 | 110.5 | E14 L16 A59 D60 L61 | E14-T57 HydrophobicContact CB-CG2 4.5Å; E14-T57 WeakPolarHBondContact OE2-CB 3.37Å; E14-T57 VanDerWaalsContact OE2-CG2 3.26Å; E14-T57 WeakPolarHBondContact OE2-CG2 3.29Å; E14-T57 PolarHBondContact OE2-OG1 2.92Å; L16-T57 HydrophobicContact CD2-CG2 3.4Å; L16-T57 HydrophobicContact CG-CG2 4.13Å; T57-A59 VanDerWaalsContact C-N 3.28Å; T57-A59 PolarHBondContact O-N 3.45Å; T57-A59 PolarHBondContact OG1-N 3.36Å; T57-D60 PolarHBondContact OG1-N 3.31Å; T57-L61 PolarHBondContact O-N 2.82Å |
| 58 | V | 91.4 | Very high | 85.8 | Confident | 23 Ų | 23 | 43.4 Ų | 43.4 | 14% | 0.139 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -57 | -43.9 | 168.5 | 167 | 0 | 0 | 0 | 0 | 110.9 | V9 C11 D60 L61 L62 C85 | V9-V58 HydrophobicContact CG1-CG2 4.26Å; C11-V58 HydrophobicContact CB-CG2 4.12Å; V58-D60 VanDerWaalsContact C-N 3.35Å; V58-D60 PolarHBondContact O-N 2.83Å; V58-L61 PolarHBondContact O-N 3.4Å; V58-L62 HydrophobicContact CG1-CD1 3.87Å; V58-L62 HydrophobicContact CG1-CG 4.31Å; V58-L62 VanDerWaalsContact O-CG 3.3Å; V58-L62 WeakPolarHBondContact O-CG 3.32Å; V58-L62 PolarHBondContact O-N 3.47Å; V58-C85 HydrophobicContact CG2-CB 4.28Å |
| 59 | A | 88.6 | Confident | 85.2 | Confident | 47 Ų | 47 | 44.5 Ų | 44.5 | 39% | 0.388 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61.4 | -42.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | T57 L62 K63 | T57-A59 VanDerWaalsContact C-N 3.28Å; T57-A59 PolarHBondContact O-N 3.45Å; T57-A59 PolarHBondContact OG1-N 3.36Å; A59-L62 PolarHBondContact O-N 3.23Å; A59-K63 PolarHBondContact O-N 3.24Å |
| 60 | D | 86.7 | Confident | 85 | Confident | 96 Ų | 96 | 49.7 Ų | 49.7 | 51% | 0.513 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -69.4 | -37.3 | 178.3 | -73.9 | -17.5 | 0 | 0 | 0 | 111.6 | T56 T57 V58 K63 | T56-D60 VanDerWaalsContact OG1-CB 3.26Å; T56-D60 WeakPolarHBondContact OG1-CB 3.23Å; T57-D60 PolarHBondContact OG1-N 3.31Å; V58-D60 VanDerWaalsContact C-N 3.35Å; V58-D60 PolarHBondContact O-N 2.83Å; D60-K63 CarbonylContact O-C 3.53Å; D60-K63 PolarHBondContact O-N 3.21Å |
| 61 | L | 87.4 | Confident | 84.8 | Confident | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -70.9 | -30.9 | 178.1 | -153.2 | 85.7 | 0 | 0 | 0 | 112.8 | V9 W54 T56 T57 V58 K63 P64 V68 I74 F76 C89 L93 | V9-L61 HydrophobicContact CG2-CD1 4.17Å; V9-L61 HydrophobicContact CG2-CD2 4.02Å; W54-L61 HydrophobicContact CH2-CD1 3.94Å; T56-L61 HydrophobicContact CG2-CD1 3.91Å; T57-L61 PolarHBondContact O-N 2.82Å; V58-L61 PolarHBondContact O-N 3.4Å; L61-K63 PolarHBondContact O-N 3.36Å; L61-P64 VanDerWaalsContact O-CD 3.32Å; L61-P64 WeakPolarHBondContact O-CD 3.01Å; L61-V68 HydrophobicContact CD1-CG1 4.16Å; L61-V68 HydrophobicContact CD1-CG2 4.16Å; L61-I74 HydrophobicContact CD2-CD1 4.23Å; L61-F76 HydrophobicContact CD2-CE1 4.17Å; L61-F76 HydrophobicContact CD2-CZ 4.36Å; L61-C89 HydrophobicContact CD2-CB 3.55Å; L61-L93 HydrophobicContact CD1-CD2 3.94Å; L61-L93 HydrophobicContact CD2-CD1 4.23Å; L61-L93 HydrophobicContact CD2-CD2 3.71Å; L61-L93 HydrophobicContact CD2-CG 3.99Å; L61-L93 HydrophobicContact CG-CD2 3.73Å; L61-L93 HydrophobicContact CG-CG 4.49Å |
| 62 | L | 86.1 | Confident | 84.8 | Confident | 79 Ų | 79 | 51.3 Ų | 51.3 | 41% | 0.414 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -15.6 | 174.6 | -70.9 | 174.9 | 0 | 0 | 0 | 112.8 | V58 A59 P64 A88 A92 | V58-L62 HydrophobicContact CG1-CD1 3.87Å; V58-L62 HydrophobicContact CG1-CG 4.31Å; V58-L62 VanDerWaalsContact O-CG 3.3Å; V58-L62 WeakPolarHBondContact O-CG 3.32Å; V58-L62 PolarHBondContact O-N 3.47Å; A59-L62 PolarHBondContact O-N 3.23Å; L62-P64 VanDerWaalsContact C-CD 3.45Å; L62-A88 HydrophobicContact CD2-CB 4.29Å; L62-A92 HydrophobicContact CD2-CB 3.7Å |
| 63 | K | 82.5 | Confident | 84.9 | Confident | 174 Ų | 174 | 49.9 Ų | 49.9 | 76% | 0.757 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -127.8 | 62.8 | 173.7 | -66.1 | 178.8 | -174.9 | 169.6 | 0 | 109.4 | A59 D60 L61 T65 | A59-K63 PolarHBondContact O-N 3.24Å; D60-K63 CarbonylContact O-C 3.53Å; D60-K63 PolarHBondContact O-N 3.21Å; L61-K63 PolarHBondContact O-N 3.36Å; K63-T65 PolarHBondContact O-N 2.79Å |
| 64 | P | 66.1 | Low | 84.9 | Confident | 53 Ų | 53 | 49.9 Ų | 49.9 | 34% | 0.344 | 27% | 0.271 | S | S | . | . | trans | -61.5 | 129.9 | -165.1 | 22.9 | -29.6 | 0 | 0 | 0 | 110.8 | L61 L62 V68 P94 | L61-P64 VanDerWaalsContact O-CD 3.32Å; L61-P64 WeakPolarHBondContact O-CD 3.01Å; L62-P64 VanDerWaalsContact C-CD 3.45Å; P64-V68 HydrophobicContact CB-CB 3.68Å; P64-V68 HydrophobicContact CB-CG1 4.03Å; P64-V68 HydrophobicContact CB-CG2 3.53Å; P64-P94 HydrophobicContact CG-CG 4.41Å | ||
| 65 | T | 64.6 | Low | 85.1 | Confident | 103 Ų | 103 | 49.5 Ų | 49.5 | 63% | 0.632 | 27% | 0.269 | S | S | * | . | trans | -80.6 | 165.1 | 161.8 | 63.7 | 0 | 0 | 0 | 0 | 108.9 | K63 Q67 V68 | K63-T65 PolarHBondContact O-N 2.79Å; T65-Q67 PolarHBondContact O-N 2.71Å; T65-V68 PolarHBondContact O-N 2.72Å; T65-V68 VanDerWaalsContact O-N 3.08Å | ||
| 66 | G | 67.2 | Low | 85.2 | Confident | 55 Ų | 55 | 49.5 Ų | 49.5 | 57% | 0.567 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -15.5 | -171.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | V68 D69 | G66-V68 VanDerWaalsContact C-N 3.27Å; G66-V68 PolarHBondContact O-N 2.83Å; G66-D69 PolarHBondContact O-N 2.79Å |
| 67 | Q | 72.7 | Confident | 85.4 | Confident | 70 Ų | 70 | 49.9 Ų | 49.9 | 33% | 0.327 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -28.8 | 176.1 | -174.1 | 168 | -9.5 | 0 | 0 | 113.3 | W54 T65 | W54-Q67 HydrophobicContact CD2-CG 4.41Å; T65-Q67 PolarHBondContact O-N 2.71Å |
| 68 | V | 78.4 | Confident | 85.5 | Confident | 6 Ų | 6 | 49.7 Ų | 49.7 | 4% | 0.036 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -68.7 | -36 | -178.2 | -177 | 0 | 0 | 0 | 0 | 111.9 | W54 L61 P64 T65 G66 E70 T71 L93 | W54-V68 HydrophobicContact CH2-CG2 3.79Å; W54-V68 HydrophobicContact CZ2-CG2 4.34Å; L61-V68 HydrophobicContact CD1-CG1 4.16Å; L61-V68 HydrophobicContact CD1-CG2 4.16Å; P64-V68 HydrophobicContact CB-CB 3.68Å; P64-V68 HydrophobicContact CB-CG1 4.03Å; P64-V68 HydrophobicContact CB-CG2 3.53Å; T65-V68 PolarHBondContact O-N 2.72Å; T65-V68 VanDerWaalsContact O-N 3.08Å; G66-V68 VanDerWaalsContact C-N 3.27Å; G66-V68 PolarHBondContact O-N 2.83Å; V68-E70 PolarHBondContact O-N 3.28Å; V68-E70 VanDerWaalsContact O-N 3.11Å; V68-T71 VanDerWaalsContact O-CB 3.24Å; V68-T71 WeakPolarHBondContact O-CB 3.49Å; V68-T71 PolarHBondContact O-N 2.92Å; V68-T71 PolarHBondContact O-OG1 3.48Å; V68-L93 HydrophobicContact CG1-CD2 3.18Å |
| 69 | D | 78.1 | Confident | 85.1 | Confident | 79 Ų | 79 | 52.1 Ų | 52.1 | 42% | 0.422 | 28% | 0.281 | S | S | . | . | G | 310 helix | trans | -61.6 | -20.9 | -177.7 | -83 | -36.5 | 0 | 0 | 0 | 113.8 | G66 P94 | G66-D69 PolarHBondContact O-N 2.79Å; D69-P94 WeakPolarHBondContact OD1-CB 3.41Å; D69-P94 WeakPolarHBondContact OD1-CG 3.36Å |
| 70 | E | 85.5 | Confident | 84.8 | Confident | 126 Ų | 126 | 50.2 Ų | 50.2 | 59% | 0.589 | 27% | 0.266 | S | S | * | . | G | 310 helix | trans | -99.3 | 4.2 | -178.7 | -60.2 | -173.4 | 168 | 0 | 0 | 113.1 | N5 V68 | N5-E70 WeakPolarHBondContact ND2-CB 3.38Å; N5-E70 PolarHBondContact ND2-O 2.66Å; N5-E70 PolarHBondContact ND2-OE2 3.32Å; V68-E70 PolarHBondContact O-N 3.28Å; V68-E70 VanDerWaalsContact O-N 3.11Å |
| 71 | T | 91.2 | Very high | 84.4 | Confident | 5 Ų | 5 | 52.6 Ų | 52.6 | 3% | 0.031 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 129.7 | -179.5 | -57.5 | 0 | 0 | 0 | 0 | 111.1 | A7 V68 A73 I99 | A7-T71 HydrophobicContact CB-CG2 3.7Å; V68-T71 VanDerWaalsContact O-CB 3.24Å; V68-T71 WeakPolarHBondContact O-CB 3.49Å; V68-T71 PolarHBondContact O-N 2.92Å; V68-T71 PolarHBondContact O-OG1 3.48Å; T71-A73 WeakPolarHBondContact CG2-O 3.26Å; T71-I99 HydrophobicContact CG2-CD1 4.46Å; T71-I99 WeakPolarHBondContact O-CG1 3.39Å |
| 72 | R | 93.4 | Very high | 84.2 | Confident | 111 Ų | 111 | 57.1 Ų | 57.1 | 42% | 0.419 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | -17.7 | 175.7 | -64.2 | -47.5 | -173.9 | 93.6 | 12.7 | 114 | E4 N5 I99 G100 V101 F162 | E4-R72 WeakPolarHBondContact OE2-CG 3.4Å; E4-R72 IonicContact OE2-NE 3.25Å; N5-R72 PolarHBondContact O-N 2.89Å; R72-I99 CarbonylContact O-C 3.48Å; R72-G100 PolarHBondContact O-N 2.85Å; R72-V101 PolarHBondContact O-N 3.34Å; R72-F162 HydrophobicContact CB-CE1 3.54Å; R72-F162 HydrophobicContact CB-CZ 3.72Å; R72-F162 HydrophobicContact CG-CE1 4.27Å |
| 73 | A | 95.9 | Very high | 84.2 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 136 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | N5 V6 A7 T71 V101 L158 F162 | N5-A73 PolarHBondContact O-N 2.72Å; V6-A73 WeakPolarHBondContact CA-O 3.43Å; V6-A73 HydrophobicContact CB-CB 4.32Å; V6-A73 HydrophobicContact CG1-CB 3.98Å; V6-A73 HydrophobicContact CG2-CB 4.03Å; A7-A73 PolarHBondContact N-O 2.81Å; T71-A73 WeakPolarHBondContact CG2-O 3.26Å; A73-V101 CarbonylContact C-O 3.5Å; A73-V101 WeakPolarHBondContact CA-O 3.34Å; A73-V101 HydrophobicContact CB-CB 3.69Å; A73-V101 HydrophobicContact CB-CG1 4.31Å; A73-V101 HydrophobicContact CB-CG2 4.35Å; A73-L158 HydrophobicContact CB-CD2 3.64Å; A73-F162 HydrophobicContact CB-CE2 4.03Å; A73-F162 HydrophobicContact CB-CZ 3.94Å |
| 74 | I | 96.3 | Very high | 84.5 | Confident | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 139.2 | 173.4 | -163.1 | 164.2 | 0 | 0 | 0 | 110.6 | A7 V9 L61 F76 W90 L93 I99 V101 R102 L103 F127 | A7-I74 HydrophobicContact CB-CG1 4.24Å; A7-I74 CarbonylContact O-C 3.6Å; A7-I74 WeakPolarHBondContact O-CA 3.35Å; V9-I74 HydrophobicContact CG2-CD1 4.04Å; V9-I74 HydrophobicContact CG2-CG1 4.11Å; L61-I74 HydrophobicContact CD2-CD1 4.23Å; I74-F76 HydrophobicContact CD1-CE1 4.03Å; I74-F76 HydrophobicContact CD1-CE2 3.96Å; I74-F76 HydrophobicContact CD1-CZ 3.51Å; I74-F76 HydrophobicContact CG1-CE2 4.3Å; I74-F76 HydrophobicContact CG1-CZ 4.2Å; I74-F76 HydrophobicContact CG2-CE2 4.42Å; I74-W90 HydrophobicContact CG2-CE3 4.44Å; I74-W90 HydrophobicContact CG2-CZ3 4.07Å; I74-L93 HydrophobicContact CD1-CD1 3.42Å; I74-L93 VanDerWaalsContact CD1-CD1 3.42Å; I74-I99 HydrophobicContact CB-CG2 4.14Å; I74-I99 HydrophobicContact CG2-CG2 3.79Å; I74-V101 PolarHBondContact N-O 2.87Å; I74-R102 HydrophobicContact CG2-CG 4.39Å; I74-L103 PolarHBondContact O-N 3.48Å; I74-F127 HydrophobicContact CG2-CE1 4Å; I74-F127 HydrophobicContact CG2-CZ 3.88Å |
| 75 | I | 97.5 | Very high | 85.6 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 109.6 | -179.3 | -54 | -177.4 | 0 | 0 | 0 | 106.7 | V6 A7 I8 V9 L26 L103 L105 I154 | V6-I75 HydrophobicContact CG1-CD1 4.02Å; V6-I75 HydrophobicContact CG1-CG1 4.39Å; A7-I75 PolarHBondContact O-N 3.07Å; I8-I75 CarbonylContact C-O 3.59Å; I8-I75 WeakPolarHBondContact CA-O 3.35Å; I8-I75 HydrophobicContact CG1-CB 4.1Å; I8-I75 HydrophobicContact CG1-CD1 4.14Å; I8-I75 HydrophobicContact CG1-CG1 4.5Å; V9-I75 PolarHBondContact N-O 3.38Å; L26-I75 HydrophobicContact CD1-CD1 4.4Å; I75-L103 WeakPolarHBondContact CA-O 3.22Å; I75-L103 HydrophobicContact CD1-CD1 4.24Å; I75-L103 HydrophobicContact CG1-CB 4.28Å; I75-L103 HydrophobicContact CG1-CD1 4.15Å; I75-L103 HydrophobicContact CG2-CB 4.31Å; I75-L105 HydrophobicContact CG2-CD1 3.38Å; I75-L105 HydrophobicContact CG2-CD2 4.13Å; I75-L105 HydrophobicContact CG2-CG 3.52Å; I75-I154 HydrophobicContact CD1-CG2 3.88Å |
| 76 | F | 96.8 | Very high | 87 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 125.6 | 171.3 | -71.5 | -66.3 | 0 | 0 | 0 | 109.2 | V9 L61 I74 F86 C89 W90 L103 L104 L105 F127 | V9-F76 HydrophobicContact CB-CD1 3.52Å; V9-F76 HydrophobicContact CB-CE1 3.72Å; V9-F76 HydrophobicContact CG1-CD1 3.87Å; V9-F76 HydrophobicContact CG1-CE1 3.86Å; V9-F76 HydrophobicContact CG2-CD1 3.96Å; V9-F76 HydrophobicContact CG2-CE1 3.71Å; L61-F76 HydrophobicContact CD2-CE1 4.17Å; L61-F76 HydrophobicContact CD2-CZ 4.36Å; I74-F76 HydrophobicContact CD1-CE1 4.03Å; I74-F76 HydrophobicContact CD1-CE2 3.96Å; I74-F76 HydrophobicContact CD1-CZ 3.51Å; I74-F76 HydrophobicContact CG1-CE2 4.3Å; I74-F76 HydrophobicContact CG1-CZ 4.2Å; I74-F76 HydrophobicContact CG2-CE2 4.42Å; F76-F86 HydrophobicContact CB-CB 4Å; F76-F86 HydrophobicContact CD1-CB 3.79Å; F76-F86 HydrophobicContact CD2-CB 3.84Å; F76-F86 HydrophobicContact CE1-CB 4.25Å; F76-F86 HydrophobicContact CE2-CB 4.26Å; F76-F86 HydrophobicContact CG-CB 3.61Å; F76-F86 HydrophobicContact CZ-CB 4.47Å; F76-C89 HydrophobicContact CE1-CB 3.44Å; F76-C89 VanDerWaalsContact CE1-CB 3.44Å; F76-C89 HydrophobicContact CZ-CB 3.62Å; F76-W90 HydrophobicContact CE2-CB 4.32Å; F76-W90 HydrophobicContact CZ-CB 4.45Å; F76-L103 PolarHBondContact N-O 3.41Å; F76-L104 HydrophobicContact CB-CD1 3.68Å; F76-L105 PolarHBondContact O-N 3.17Å; F76-F127 HydrophobicContact CD2-CD1 4.44Å; F76-F127 AromaticContact CD2-CE1 3.5Å; F76-F127 HydrophobicContact CD2-CE1 3.5Å; F76-F127 AromaticContact CD2-CZ 3.87Å; F76-F127 HydrophobicContact CD2-CZ 3.87Å; F76-F127 AromaticContact CE2-CE1 3.79Å; F76-F127 HydrophobicContact CE2-CE1 3.79Å; F76-F127 AromaticContact CE2-CZ 3.63Å; F76-F127 HydrophobicContact CE2-CZ 3.63Å |
| 77 | Y | 95.6 | Very high | 88.3 | Confident | 14 Ų | 14 | 41.5 Ų | 41.5 | 6% | 0.055 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 116.6 | 169.2 | -172.4 | -79.8 | 0 | 0 | 0 | 109.2 | V9 C11 I12 N18 I22 L105 E107 L132 | V9-Y77 PolarHBondContact O-N 2.96Å; C11-Y77 WeakPolarHBondContact CB-O 3.47Å; C11-Y77 PolarHBondContact N-O 3.33Å; I12-Y77 HydrophobicContact CD1-CD1 3.43Å; I12-Y77 VanDerWaalsContact CD1-CD1 3.43Å; I12-Y77 HydrophobicContact CD1-CE1 3.3Å; I12-Y77 HydrophobicContact CG1-CD1 4.36Å; N18-Y77 HydrophobicContact CB-CD1 3.47Å; N18-Y77 VanDerWaalsContact CB-CD1 3.47Å; N18-Y77 HydrophobicContact CB-CD2 4.14Å; N18-Y77 HydrophobicContact CB-CE1 3.34Å; N18-Y77 HydrophobicContact CB-CE2 4Å; N18-Y77 HydrophobicContact CB-CG 3.88Å; N18-Y77 VanDerWaalsContact CG-CE1 3.41Å; I22-Y77 HydrophobicContact CD1-CD2 4.39Å; I22-Y77 HydrophobicContact CD1-CE2 4.24Å; I22-Y77 HydrophobicContact CG1-CD2 3.86Å; I22-Y77 HydrophobicContact CG1-CE2 4.1Å; Y77-L105 HydrophobicContact CD2-CB 4.21Å; Y77-L105 HydrophobicContact CD2-CD1 4.33Å; Y77-E107 PolarHBondContact OH-OE2 3.37Å; Y77-E107 VanDerWaalsContact OH-OE2 3.05Å; Y77-L132 HydrophobicContact CD2-CD1 4.08Å; Y77-L132 HydrophobicContact CE2-CD1 3.46Å; Y77-L132 VanDerWaalsContact CE2-CD1 3.46Å |
| 78 | W | 93 | Very high | 89.2 | Confident | 1 Ų | 1 | 40.2 Ų | 40.2 | 0% | 0.004 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 145.7 | -170.3 | 168 | 63 | 0 | 0 | 0 | 111.4 | G80 D82 F86 L104 L105 C106 L110 V114 T118 | W78-G80 VanDerWaalsContact CE2-N 3.28Å; W78-D82 PolarHBondContact NE1-O 3.45Å; W78-F86 HydrophobicContact CB-CD1 4.34Å; W78-F86 HydrophobicContact CD2-CD1 4.3Å; W78-F86 AromaticContact CD2-CE1 3.85Å; W78-F86 HydrophobicContact CD2-CE1 3.85Å; W78-F86 AromaticContact CE2-CE1 3.82Å; W78-F86 HydrophobicContact CE3-CE1 4.35Å; W78-F86 AromaticContact CG-CD1 3.99Å; W78-F86 HydrophobicContact CG-CD1 3.99Å; W78-F86 HydrophobicContact CG-CE1 4.02Å; W78-F86 HydrophobicContact CZ2-CE1 4.28Å; W78-L104 HydrophobicContact CB-CD1 3.79Å; W78-L104 HydrophobicContact CD2-CD1 4.47Å; W78-L104 HydrophobicContact CE3-CD1 4.21Å; W78-L104 HydrophobicContact CE3-CD2 3.87Å; W78-L104 HydrophobicContact CE3-CG 4.06Å; W78-L104 HydrophobicContact CG-CD1 4.36Å; W78-L104 HydrophobicContact CZ3-CD2 4.07Å; W78-L105 PolarHBondContact N-O 3.01Å; W78-C106 HydrophobicContact CE3-CB 4.19Å; W78-C106 WeakPolarHBondContact O-CA 3.43Å; W78-L110 HydrophobicContact CE3-CD2 4.27Å; W78-L110 HydrophobicContact CH2-CD1 3.83Å; W78-L110 HydrophobicContact CH2-CD2 3.55Å; W78-L110 HydrophobicContact CH2-CG 4.32Å; W78-L110 HydrophobicContact CZ3-CD1 3.59Å; W78-L110 HydrophobicContact CZ3-CD2 3.4Å; W78-L110 VanDerWaalsContact CZ3-CD2 3.4Å; W78-L110 HydrophobicContact CZ3-CG 4.12Å; W78-V114 HydrophobicContact CH2-CG1 3.54Å; W78-V114 HydrophobicContact CZ2-CG1 3.79Å; W78-T118 HydrophobicContact CE3-CG2 4.48Å; W78-T118 HydrophobicContact CH2-CG2 3.54Å; W78-T118 WeakPolarHBondContact CH2-OG1 3.45Å; W78-T118 HydrophobicContact CZ2-CG2 4.42Å; W78-T118 HydrophobicContact CZ3-CG2 3.59Å |
| 79 | D | 84.5 | Confident | 89.8 | Confident | 73 Ų | 73 | 39.9 Ų | 39.9 | 39% | 0.39 | 22% | 0.217 | S | C | . | . | trans | -89.4 | -6.2 | -175.3 | 58.1 | 1.6 | 0 | 0 | 0 | 114.7 | I12 L81 | I12-D79 HydrophobicContact CD1-CB 3.57Å; I12-D79 HydrophobicContact CG1-CB 3.78Å; D79-L81 WeakPolarHBondContact OD1-CB 3.48Å; D79-L81 PolarHBondContact OD1-N 3.13Å | ||
| 80 | G | 81.7 | Confident | 90.6 | Very high | 8 Ų | 8 | 36.3 Ų | 36.3 | 8% | 0.082 | 20% | 0.197 | C | C | . | . | S | Bend | trans | 91 | 1.6 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | W78 V114 | W78-G80 VanDerWaalsContact CE2-N 3.28Å; G80-V114 WeakPolarHBondContact O-CG1 3.33Å |
| 81 | L | 79.1 | Confident | 91 | Very high | 145 Ų | 145 | 34.7 Ų | 34.7 | 76% | 0.759 | 19% | 0.193 | S | C | * | . | S | Bend | trans | -105 | -51.9 | -170.7 | -61.7 | 179.3 | 0 | 0 | 0 | 113.9 | D79 | D79-L81 WeakPolarHBondContact OD1-CB 3.48Å; D79-L81 PolarHBondContact OD1-N 3.13Å |
| 82 | D | 83 | Confident | 90.9 | Very high | 96 Ų | 96 | 36.5 Ų | 36.5 | 51% | 0.513 | 21% | 0.208 | S | C | . | . | trans | -114.2 | 99.1 | -177.6 | -178.2 | 9.7 | 0 | 0 | 0 | 110.5 | W78 G84 C85 | W78-D82 PolarHBondContact NE1-O 3.45Å; D82-G84 PolarHBondContact O-N 3.3Å; D82-G84 WeakPolarHBondContact OD1-CA 3.49Å; D82-G84 PolarHBondContact OD1-N 3.32Å; D82-C85 PolarHBondContact O-SG 3.02Å | ||
| 83 | S | 85.4 | Confident | 90.8 | Very high | 34 Ų | 34 | 31.6 Ų | 31.6 | 24% | 0.238 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -17.8 | 175.5 | 58.8 | 0 | 0 | 0 | 0 | 112.9 | C85 F86 Q87 | S83-C85 PolarHBondContact O-N 3.01Å; S83-F86 VanDerWaalsContact CA-CE1 3.46Å; S83-Q87 WeakPolarHBondContact O-CG 3.42Å; S83-Q87 PolarHBondContact O-N 3.14Å |
| 84 | G | 88.9 | Confident | 90.3 | Very high | 32 Ų | 32 | 33.7 Ų | 33.7 | 33% | 0.33 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -62.9 | -28.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | D82 A88 | D82-G84 PolarHBondContact O-N 3.3Å; D82-G84 WeakPolarHBondContact OD1-CA 3.49Å; D82-G84 PolarHBondContact OD1-N 3.32Å; G84-A88 VanDerWaalsContact O-CB 3.23Å; G84-A88 WeakPolarHBondContact O-CB 3.26Å; G84-A88 PolarHBondContact O-N 3.31Å |
| 85 | C | 89.6 | Confident | 89.8 | Confident | 16 Ų | 16 | 35.4 Ų | 35.4 | 11% | 0.108 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.6 | -58.7 | -176.9 | 66.1 | 0 | 0 | 0 | 0 | 112.7 | C11 V58 D82 S83 Q87 A88 C89 | C11-C85 HydrophobicContact CB-CB 4.25Å; C11-C85 WeakPolarHBondContact CB-SG 3.23Å; V58-C85 HydrophobicContact CG2-CB 4.28Å; D82-C85 PolarHBondContact O-SG 3.02Å; S83-C85 PolarHBondContact O-N 3.01Å; C85-Q87 VanDerWaalsContact C-N 3.3Å; C85-Q87 PolarHBondContact O-N 3.41Å; C85-A88 PolarHBondContact O-N 3.29Å; C85-C89 PolarHBondContact O-N 2.88Å |
| 86 | F | 93.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -70.3 | -30.4 | -178.7 | 63.3 | -106.4 | 0 | 0 | 0 | 111.2 | F76 W78 S83 W90 L104 T118 W121 | F76-F86 HydrophobicContact CB-CB 4Å; F76-F86 HydrophobicContact CD1-CB 3.79Å; F76-F86 HydrophobicContact CD2-CB 3.84Å; F76-F86 HydrophobicContact CE1-CB 4.25Å; F76-F86 HydrophobicContact CE2-CB 4.26Å; F76-F86 HydrophobicContact CG-CB 3.61Å; F76-F86 HydrophobicContact CZ-CB 4.47Å; W78-F86 HydrophobicContact CB-CD1 4.34Å; W78-F86 HydrophobicContact CD2-CD1 4.3Å; W78-F86 AromaticContact CD2-CE1 3.85Å; W78-F86 HydrophobicContact CD2-CE1 3.85Å; W78-F86 AromaticContact CE2-CE1 3.82Å; W78-F86 HydrophobicContact CE3-CE1 4.35Å; W78-F86 AromaticContact CG-CD1 3.99Å; W78-F86 HydrophobicContact CG-CD1 3.99Å; W78-F86 HydrophobicContact CG-CE1 4.02Å; W78-F86 HydrophobicContact CZ2-CE1 4.28Å; S83-F86 VanDerWaalsContact CA-CE1 3.46Å; F86-W90 VanDerWaalsContact O-CB 3.27Å; F86-W90 WeakPolarHBondContact O-CB 3.45Å; F86-W90 PolarHBondContact O-N 2.93Å; F86-L104 HydrophobicContact CB-CD1 4.47Å; F86-L104 HydrophobicContact CD1-CD1 3.75Å; F86-L104 HydrophobicContact CE1-CD1 4.04Å; F86-L104 HydrophobicContact CE1-CD2 4Å; F86-L104 HydrophobicContact CE2-CD2 4.38Å; F86-L104 HydrophobicContact CG-CD1 4.02Å; F86-L104 HydrophobicContact CZ-CD2 3.96Å; F86-T118 HydrophobicContact CZ-CG2 4.03Å; F86-W121 HydrophobicContact CD2-CD2 4.42Å; F86-W121 AromaticContact CD2-CE3 3.95Å; F86-W121 HydrophobicContact CD2-CE3 3.95Å; F86-W121 AromaticContact CD2-CH2 3.73Å; F86-W121 HydrophobicContact CD2-CH2 3.73Å; F86-W121 HydrophobicContact CD2-CZ2 4.23Å; F86-W121 AromaticContact CD2-CZ3 3.58Å; F86-W121 HydrophobicContact CD2-CZ3 3.58Å; F86-W121 AromaticContact CE2-CD2 3.81Å; F86-W121 HydrophobicContact CE2-CD2 3.81Å; F86-W121 AromaticContact CE2-CE3 3.42Å; F86-W121 HydrophobicContact CE2-CE3 3.42Å; F86-W121 VanDerWaalsContact CE2-CE3 3.42Å; F86-W121 HydrophobicContact CE2-CH2 4.07Å; F86-W121 HydrophobicContact CE2-CZ2 4.41Å; F86-W121 AromaticContact CE2-CZ3 3.57Å; F86-W121 HydrophobicContact CE2-CZ3 3.57Å; F86-W121 HydrophobicContact CZ-CE3 4.48Å |
| 87 | Q | 94.7 | Very high | 89.2 | Confident | 54 Ų | 54 | 46 Ų | 46 | 25% | 0.252 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -64.7 | -46.3 | 174.8 | -67.3 | -177.8 | 18.5 | 0 | 0 | 111.5 | S83 C85 W90 N91 W121 | S83-Q87 WeakPolarHBondContact O-CG 3.42Å; S83-Q87 PolarHBondContact O-N 3.14Å; C85-Q87 VanDerWaalsContact C-N 3.3Å; C85-Q87 PolarHBondContact O-N 3.41Å; Q87-W90 PolarHBondContact O-N 3.48Å; Q87-N91 WeakPolarHBondContact O-CB 3.43Å; Q87-N91 VanDerWaalsContact O-CG 3.25Å; Q87-N91 PolarHBondContact O-N 2.79Å; Q87-N91 PolarHBondContact O-ND2 3.26Å; Q87-W121 HydrophobicContact CB-CZ2 4.38Å; Q87-W121 HydrophobicContact CG-CD2 3.98Å; Q87-W121 HydrophobicContact CG-CG 4.12Å; Q87-W121 HydrophobicContact CG-CZ2 4.01Å |
| 88 | A | 91.7 | Very high | 89 | Confident | 43 Ų | 43 | 52.5 Ų | 52.5 | 36% | 0.355 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63.4 | -45.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | L62 G84 C85 N91 A92 | L62-A88 HydrophobicContact CD2-CB 4.29Å; G84-A88 VanDerWaalsContact O-CB 3.23Å; G84-A88 WeakPolarHBondContact O-CB 3.26Å; G84-A88 PolarHBondContact O-N 3.31Å; C85-A88 PolarHBondContact O-N 3.29Å; A88-N91 PolarHBondContact O-N 3.06Å; A88-A92 WeakPolarHBondContact O-CB 3.49Å; A88-A92 PolarHBondContact O-N 3.33Å |
| 89 | C | 92 | Very high | 89 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -54.5 | -55.9 | 173 | -82.3 | 0 | 0 | 0 | 0 | 111.8 | L61 F76 C85 N91 A92 L93 | L61-C89 HydrophobicContact CD2-CB 3.55Å; F76-C89 HydrophobicContact CE1-CB 3.44Å; F76-C89 VanDerWaalsContact CE1-CB 3.44Å; F76-C89 HydrophobicContact CZ-CB 3.62Å; C85-C89 PolarHBondContact O-N 2.88Å; C89-N91 PolarHBondContact O-N 3.03Å; C89-A92 PolarHBondContact O-N 2.98Å; C89-L93 WeakPolarHBondContact O-CG 3.41Å; C89-L93 PolarHBondContact O-N 3.44Å |
| 90 | W | 94.8 | Very high | 89.5 | Confident | 3 Ų | 3 | 52.3 Ų | 52.3 | 1% | 0.011 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -57 | -39.8 | -179.6 | -179.6 | -113 | 0 | 0 | 0 | 112.6 | I74 F76 F86 Q87 A92 L93 R96 I99 R102 W121 N125 F127 | I74-W90 HydrophobicContact CG2-CE3 4.44Å; I74-W90 HydrophobicContact CG2-CZ3 4.07Å; F76-W90 HydrophobicContact CE2-CB 4.32Å; F76-W90 HydrophobicContact CZ-CB 4.45Å; F86-W90 VanDerWaalsContact O-CB 3.27Å; F86-W90 WeakPolarHBondContact O-CB 3.45Å; F86-W90 PolarHBondContact O-N 2.93Å; Q87-W90 PolarHBondContact O-N 3.48Å; W90-A92 VanDerWaalsContact C-N 3.33Å; W90-A92 PolarHBondContact O-N 3.45Å; W90-L93 HydrophobicContact CE3-CD1 3.73Å; W90-L93 HydrophobicContact CZ3-CD1 4.11Å; W90-L93 PolarHBondContact O-N 3.5Å; W90-R96 HydrophobicContact CE3-CB 4.49Å; W90-R96 HydrophobicContact CH2-CB 3.78Å; W90-R96 HydrophobicContact CH2-CG 4.33Å; W90-R96 HydrophobicContact CZ2-CB 4.05Å; W90-R96 HydrophobicContact CZ2-CG 4.1Å; W90-R96 HydrophobicContact CZ3-CB 4.03Å; W90-R96 WeakPolarHBondContact O-CD 3.3Å; W90-R96 PolarHBondContact O-NH1 3.04Å; W90-I99 HydrophobicContact CH2-CB 4.38Å; W90-I99 HydrophobicContact CZ3-CB 4.38Å; W90-I99 HydrophobicContact CZ3-CD1 3.88Å; W90-I99 HydrophobicContact CZ3-CG2 4.43Å; W90-R102 HydrophobicContact CH2-CG 4.11Å; W90-R102 HydrophobicContact CZ3-CG 4.34Å; W90-W121 HydrophobicContact CB-CH2 3.84Å; W90-W121 HydrophobicContact CB-CZ2 3.79Å; W90-W121 AromaticContact CD1-CH2 3.92Å; W90-W121 AromaticContact CD1-CZ2 3.52Å; W90-W121 AromaticContact CG-CH2 3.85Å; W90-W121 HydrophobicContact CG-CH2 3.85Å; W90-W121 AromaticContact CG-CZ2 3.8Å; W90-W121 HydrophobicContact CG-CZ2 3.8Å; W90-N125 PolarHBondContact NE1-OD1 3.43Å; W90-F127 AromaticContact CD2-CE2 3.69Å; W90-F127 HydrophobicContact CD2-CE2 3.69Å; W90-F127 AromaticContact CD2-CZ 3.98Å; W90-F127 HydrophobicContact CD2-CZ 3.98Å; W90-F127 AromaticContact CE2-CE2 3.9Å; W90-F127 AromaticContact CE3-CE2 3.75Å; W90-F127 HydrophobicContact CE3-CE2 3.75Å; W90-F127 AromaticContact CE3-CZ 3.6Å; W90-F127 HydrophobicContact CE3-CZ 3.6Å; W90-F127 HydrophobicContact CG-CE2 4.21Å; W90-F127 HydrophobicContact CH2-CE2 4.29Å; W90-F127 HydrophobicContact CZ2-CE2 4.2Å; W90-F127 HydrophobicContact CZ3-CE2 4.06Å; W90-F127 AromaticContact CZ3-CZ 3.92Å; W90-F127 HydrophobicContact CZ3-CZ 3.92Å |
| 91 | N | 92.4 | Very high | 90.2 | Very high | 92 Ų | 92 | 52.4 Ų | 52.4 | 49% | 0.492 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -69.9 | -29.7 | 179 | -75.7 | -36.6 | 0 | 0 | 0 | 113.5 | Q87 A88 C89 R96 | Q87-N91 WeakPolarHBondContact O-CB 3.43Å; Q87-N91 VanDerWaalsContact O-CG 3.25Å; Q87-N91 PolarHBondContact O-N 2.79Å; Q87-N91 PolarHBondContact O-ND2 3.26Å; A88-N91 PolarHBondContact O-N 3.06Å; C89-N91 PolarHBondContact O-N 3.03Å; N91-R96 PolarHBondContact O-NH1 2.86Å |
| 92 | A | 89.8 | Confident | 91 | Very high | 43 Ų | 43 | 48 Ų | 48 | 36% | 0.355 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -82.4 | -16.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | L62 A88 C89 W90 P94 | L62-A92 HydrophobicContact CD2-CB 3.7Å; A88-A92 WeakPolarHBondContact O-CB 3.49Å; A88-A92 PolarHBondContact O-N 3.33Å; C89-A92 PolarHBondContact O-N 2.98Å; W90-A92 VanDerWaalsContact C-N 3.33Å; W90-A92 PolarHBondContact O-N 3.45Å; A92-P94 WeakPolarHBondContact O-CD 3.27Å |
| 93 | L | 90.6 | Very high | 91.8 | Very high | 9 Ų | 9 | 43.5 Ų | 43.5 | 5% | 0.047 | 25% | 0.249 | C | C | . | . | trans | -65.6 | 123 | -175.6 | -77.1 | 172 | 0 | 0 | 0 | 112.5 | L61 V68 I74 C89 W90 R96 I99 | L61-L93 HydrophobicContact CD1-CD2 3.94Å; L61-L93 HydrophobicContact CD2-CD1 4.23Å; L61-L93 HydrophobicContact CD2-CD2 3.71Å; L61-L93 HydrophobicContact CD2-CG 3.99Å; L61-L93 HydrophobicContact CG-CD2 3.73Å; L61-L93 HydrophobicContact CG-CG 4.49Å; V68-L93 HydrophobicContact CG1-CD2 3.18Å; I74-L93 HydrophobicContact CD1-CD1 3.42Å; I74-L93 VanDerWaalsContact CD1-CD1 3.42Å; C89-L93 WeakPolarHBondContact O-CG 3.41Å; C89-L93 PolarHBondContact O-N 3.44Å; W90-L93 HydrophobicContact CE3-CD1 3.73Å; W90-L93 HydrophobicContact CZ3-CD1 4.11Å; W90-L93 PolarHBondContact O-N 3.5Å; L93-R96 HydrophobicContact CB-CB 3.99Å; L93-I99 HydrophobicContact CD1-CD1 3.89Å | ||
| 94 | P | 84.9 | Confident | 92.3 | Very high | 43 Ų | 43 | 41.9 Ų | 41.9 | 28% | 0.279 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | 146.7 | 168.1 | 30.8 | -35.1 | 0 | 0 | 0 | 110 | P64 D69 A92 R96 | P64-P94 HydrophobicContact CG-CG 4.41Å; D69-P94 WeakPolarHBondContact OD1-CB 3.41Å; D69-P94 WeakPolarHBondContact OD1-CG 3.36Å; A92-P94 WeakPolarHBondContact O-CD 3.27Å; P94-R96 PolarHBondContact O-N 2.85Å |
| 95 | S | 86.2 | Confident | 92.6 | Very high | 37 Ų | 37 | 40.3 Ų | 40.3 | 26% | 0.259 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.8 | 28.5 | 175.9 | -46.4 | 0 | 0 | 0 | 0 | 115.3 | E97 R98 | S95-E97 WeakPolarHBondContact CA-OE1 3.35Å; S95-E97 VanDerWaalsContact CA-OE2 3.26Å; S95-E97 WeakPolarHBondContact CA-OE2 3.43Å; S95-E97 PolarHBondContact O-N 3.46Å; S95-R98 WeakPolarHBondContact O-CB 3.33Å; S95-R98 PolarHBondContact O-N 2.9Å |
| 96 | R | 91.4 | Very high | 92.8 | Very high | 93 Ų | 93 | 39.6 Ų | 39.6 | 35% | 0.351 | 22% | 0.217 | S | C | . | . | G | 310 helix | trans | -56.4 | -22.2 | -176.7 | 69.3 | -178 | 177.4 | -132.6 | 4.1 | 114 | W90 N91 L93 P94 R98 I99 | W90-R96 HydrophobicContact CE3-CB 4.49Å; W90-R96 HydrophobicContact CH2-CB 3.78Å; W90-R96 HydrophobicContact CH2-CG 4.33Å; W90-R96 HydrophobicContact CZ2-CB 4.05Å; W90-R96 HydrophobicContact CZ2-CG 4.1Å; W90-R96 HydrophobicContact CZ3-CB 4.03Å; W90-R96 WeakPolarHBondContact O-CD 3.3Å; W90-R96 PolarHBondContact O-NH1 3.04Å; N91-R96 PolarHBondContact O-NH1 2.86Å; L93-R96 HydrophobicContact CB-CB 3.99Å; P94-R96 PolarHBondContact O-N 2.85Å; R96-R98 PolarHBondContact O-N 2.96Å; R96-I99 HydrophobicContact CB-CD1 4.46Å; R96-I99 WeakPolarHBondContact O-CB 3.34Å; R96-I99 PolarHBondContact O-N 3.22Å; R96-I99 VanDerWaalsContact O-N 3.12Å |
| 97 | E | 90.7 | Very high | 92.7 | Very high | 131 Ų | 131 | 42 Ų | 42 | 61% | 0.612 | 23% | 0.228 | S | C | * | . | G | 310 helix | trans | -62.8 | -20.6 | 172.6 | 71.8 | -73 | 169.4 | 0 | 0 | 113.8 | S95 | S95-E97 WeakPolarHBondContact CA-OE1 3.35Å; S95-E97 VanDerWaalsContact CA-OE2 3.26Å; S95-E97 WeakPolarHBondContact CA-OE2 3.43Å; S95-E97 PolarHBondContact O-N 3.46Å |
| 98 | R | 90.7 | Very high | 92.3 | Very high | 150 Ų | 150 | 43.9 Ų | 43.9 | 57% | 0.566 | 24% | 0.239 | S | C | * | . | G | 310 helix | trans | -83.7 | -12.5 | 175.7 | -59.5 | -176.2 | 178.7 | 179.3 | -2.4 | 113.3 | S95 R96 G100 | S95-R98 WeakPolarHBondContact O-CB 3.33Å; S95-R98 PolarHBondContact O-N 2.9Å; R96-R98 PolarHBondContact O-N 2.96Å; R98-G100 PolarHBondContact O-N 3.45Å |
| 99 | I | 94.2 | Very high | 91.6 | Very high | 4 Ų | 4 | 45.8 Ų | 45.8 | 2% | 0.021 | 26% | 0.256 | C | S | . | . | trans | -78.5 | 108.3 | 176.9 | -59.7 | 173.7 | 0 | 0 | 0 | 107.9 | T71 R72 I74 W90 L93 R96 V101 R102 | T71-I99 HydrophobicContact CG2-CD1 4.46Å; T71-I99 WeakPolarHBondContact O-CG1 3.39Å; R72-I99 CarbonylContact O-C 3.48Å; I74-I99 HydrophobicContact CB-CG2 4.14Å; I74-I99 HydrophobicContact CG2-CG2 3.79Å; W90-I99 HydrophobicContact CH2-CB 4.38Å; W90-I99 HydrophobicContact CZ3-CB 4.38Å; W90-I99 HydrophobicContact CZ3-CD1 3.88Å; W90-I99 HydrophobicContact CZ3-CG2 4.43Å; L93-I99 HydrophobicContact CD1-CD1 3.89Å; R96-I99 HydrophobicContact CB-CD1 4.46Å; R96-I99 WeakPolarHBondContact O-CB 3.34Å; R96-I99 PolarHBondContact O-N 3.22Å; R96-I99 VanDerWaalsContact O-N 3.12Å; I99-V101 WeakPolarHBondContact CG2-O 3.2Å; I99-R102 HydrophobicContact CG2-CG 3.98Å; I99-R102 PolarHBondContact O-NE 2.91Å; I99-R102 PolarHBondContact O-NH2 2.98Å; I99-R102 VanDerWaalsContact O-NH2 3.09Å | ||
| 100 | G | 93.8 | Very high | 91.1 | Very high | 66 Ų | 66 | 47.7 Ų | 47.7 | 68% | 0.68 | 27% | 0.265 | S | S | * | . | trans | -86.9 | -30.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | R72 R98 | R72-G100 PolarHBondContact O-N 2.85Å; R98-G100 PolarHBondContact O-N 3.45Å | ||
| 101 | V | 96.6 | Very high | 90.2 | Very high | 9 Ų | 9 | 50.9 Ų | 50.9 | 6% | 0.055 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 127.5 | 176.1 | -178.9 | 0 | 0 | 0 | 0 | 109.7 | R72 A73 I74 I99 L103 A157 L158 A161 | R72-V101 PolarHBondContact O-N 3.34Å; A73-V101 CarbonylContact C-O 3.5Å; A73-V101 WeakPolarHBondContact CA-O 3.34Å; A73-V101 HydrophobicContact CB-CB 3.69Å; A73-V101 HydrophobicContact CB-CG1 4.31Å; A73-V101 HydrophobicContact CB-CG2 4.35Å; I74-V101 PolarHBondContact N-O 2.87Å; I99-V101 WeakPolarHBondContact CG2-O 3.2Å; V101-L103 HydrophobicContact CG1-CD1 4.06Å; V101-L103 HydrophobicContact CG1-CD2 4.16Å; V101-L103 HydrophobicContact CG1-CG 3.82Å; V101-A157 HydrophobicContact CG1-CB 4.25Å; V101-L158 HydrophobicContact CB-CD2 4.36Å; V101-L158 HydrophobicContact CG1-CD2 4Å; V101-L158 HydrophobicContact CG2-CD2 4.42Å; V101-A161 HydrophobicContact CG2-CB 3.09Å |
| 102 | R | 97.5 | Very high | 89.5 | Confident | 52 Ų | 52 | 54.2 Ų | 54.2 | 20% | 0.196 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 103 | -173.7 | -62.4 | 174.8 | -162.3 | 178.6 | 2 | 108.4 | I74 W90 I99 N125 A126 F127 E128 | I74-R102 HydrophobicContact CG2-CG 4.39Å; W90-R102 HydrophobicContact CH2-CG 4.11Å; W90-R102 HydrophobicContact CZ3-CG 4.34Å; I99-R102 HydrophobicContact CG2-CG 3.98Å; I99-R102 PolarHBondContact O-NE 2.91Å; I99-R102 PolarHBondContact O-NH2 2.98Å; I99-R102 VanDerWaalsContact O-NH2 3.09Å; R102-N125 VanDerWaalsContact CD-O 3.26Å; R102-N125 WeakPolarHBondContact CD-O 3.43Å; R102-N125 PolarHBondContact NH1-O 3.05Å; R102-A126 WeakPolarHBondContact CB-O 3.31Å; R102-F127 VanDerWaalsContact C-CD1 3.45Å; R102-F127 HydrophobicContact CB-CB 4.49Å; R102-F127 HydrophobicContact CB-CD1 3.7Å; R102-F127 HydrophobicContact CB-CD2 3.87Å; R102-F127 HydrophobicContact CB-CE1 3.67Å; R102-F127 HydrophobicContact CB-CE2 3.86Å; R102-F127 HydrophobicContact CB-CG 3.78Å; R102-F127 HydrophobicContact CB-CZ 3.75Å; R102-F127 HydrophobicContact CG-CE1 4.49Å; R102-F127 HydrophobicContact CG-CE2 4.15Å; R102-F127 HydrophobicContact CG-CZ 4.13Å; R102-F127 WeakPolarHBondContact O-CA 3.46Å; R102-E128 PolarHBondContact O-N 3.27Å |
| 103 | L | 98 | Very high | 88.7 | Confident | 2 Ų | 2 | 60.2 Ų | 60.2 | 1% | 0.01 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 137.4 | -176.1 | -54.4 | 178.7 | 0 | 0 | 0 | 110 | I74 I75 F76 V101 L105 E128 I130 I154 A157 | I74-L103 PolarHBondContact O-N 3.48Å; I75-L103 WeakPolarHBondContact CA-O 3.22Å; I75-L103 HydrophobicContact CD1-CD1 4.24Å; I75-L103 HydrophobicContact CG1-CB 4.28Å; I75-L103 HydrophobicContact CG1-CD1 4.15Å; I75-L103 HydrophobicContact CG2-CB 4.31Å; F76-L103 PolarHBondContact N-O 3.41Å; V101-L103 HydrophobicContact CG1-CD1 4.06Å; V101-L103 HydrophobicContact CG1-CD2 4.16Å; V101-L103 HydrophobicContact CG1-CG 3.82Å; L103-L105 HydrophobicContact CB-CD2 4.35Å; L103-E128 WeakPolarHBondContact CA-O 3.3Å; L103-E128 HydrophobicContact CD2-CB 3.95Å; L103-I130 HydrophobicContact CD1-CD1 4.04Å; L103-I130 HydrophobicContact CD2-CD1 3.94Å; L103-I130 HydrophobicContact CG-CD1 4.42Å; L103-I154 HydrophobicContact CD1-CB 4.3Å; L103-I154 HydrophobicContact CD1-CG1 4.3Å; L103-I154 HydrophobicContact CD1-CG2 3.83Å; L103-A157 HydrophobicContact CD1-CB 4.24Å; L103-A157 HydrophobicContact CD2-CB 4.12Å |
| 104 | L | 96.8 | Very high | 88 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 111.4 | 168.2 | -177.5 | 64.8 | 0 | 0 | 0 | 107.6 | F76 W78 F86 T118 C122 F127 E128 I129 I130 | F76-L104 HydrophobicContact CB-CD1 3.68Å; W78-L104 HydrophobicContact CB-CD1 3.79Å; W78-L104 HydrophobicContact CD2-CD1 4.47Å; W78-L104 HydrophobicContact CE3-CD1 4.21Å; W78-L104 HydrophobicContact CE3-CD2 3.87Å; W78-L104 HydrophobicContact CE3-CG 4.06Å; W78-L104 HydrophobicContact CG-CD1 4.36Å; W78-L104 HydrophobicContact CZ3-CD2 4.07Å; F86-L104 HydrophobicContact CB-CD1 4.47Å; F86-L104 HydrophobicContact CD1-CD1 3.75Å; F86-L104 HydrophobicContact CE1-CD1 4.04Å; F86-L104 HydrophobicContact CE1-CD2 4Å; F86-L104 HydrophobicContact CE2-CD2 4.38Å; F86-L104 HydrophobicContact CG-CD1 4.02Å; F86-L104 HydrophobicContact CZ-CD2 3.96Å; L104-T118 HydrophobicContact CD2-CG2 3.56Å; L104-C122 VanDerWaalsContact CD2-SG 3.57Å; L104-F127 HydrophobicContact CB-CD1 4.31Å; L104-E128 PolarHBondContact N-O 3.38Å; L104-I129 HydrophobicContact CB-CG1 4.38Å; L104-I129 HydrophobicContact CD2-CD1 4.42Å; L104-I129 HydrophobicContact CD2-CG1 4.32Å; L104-I129 CarbonylContact O-C 3.57Å; L104-I129 VanDerWaalsContact O-CA 3.29Å; L104-I129 WeakPolarHBondContact O-CA 3.49Å; L104-I130 PolarHBondContact O-N 3.08Å |
| 105 | L | 96 | Very high | 87.8 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 136.9 | 178.5 | -50.4 | -173.6 | 0 | 0 | 0 | 109.6 | I22 I75 F76 Y77 W78 L103 I130 L132 I154 | I22-L105 HydrophobicContact CD1-CD1 4.33Å; I22-L105 HydrophobicContact CG1-CD1 4.19Å; I22-L105 HydrophobicContact CG2-CD1 4.07Å; I75-L105 HydrophobicContact CG2-CD1 3.38Å; I75-L105 HydrophobicContact CG2-CD2 4.13Å; I75-L105 HydrophobicContact CG2-CG 3.52Å; F76-L105 PolarHBondContact O-N 3.17Å; Y77-L105 HydrophobicContact CD2-CB 4.21Å; Y77-L105 HydrophobicContact CD2-CD1 4.33Å; W78-L105 PolarHBondContact N-O 3.01Å; L103-L105 HydrophobicContact CB-CD2 4.35Å; L105-I130 WeakPolarHBondContact CA-O 3.36Å; L105-I130 HydrophobicContact CD2-CB 3.71Å; L105-I130 HydrophobicContact CD2-CD1 4.3Å; L105-I130 HydrophobicContact CD2-CG1 4.46Å; L105-I130 HydrophobicContact CD2-CG2 4.18Å; L105-L132 HydrophobicContact CB-CD1 4.29Å; L105-L132 HydrophobicContact CB-CG 4.48Å; L105-L132 HydrophobicContact CD1-CD1 4.42Å; L105-L132 HydrophobicContact CD1-CD2 4.39Å; L105-I154 HydrophobicContact CD1-CD1 3.72Å; L105-I154 HydrophobicContact CD2-CD1 3.68Å; L105-I154 HydrophobicContact CD2-CG1 3.98Å; L105-I154 HydrophobicContact CG-CD1 4.38Å |
| 106 | C | 92.8 | Very high | 87.9 | Confident | 1 Ų | 1 | 66.2 Ų | 66.2 | 1% | 0.007 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 148 | 165.7 | 62 | 0 | 0 | 0 | 0 | 110 | W78 N108 L110 I130 V131 L132 | W78-C106 HydrophobicContact CE3-CB 4.19Å; W78-C106 WeakPolarHBondContact O-CA 3.43Å; C106-N108 PolarHBondContact SG-O 2.79Å; C106-L110 HydrophobicContact CB-CD2 4.26Å; C106-I130 PolarHBondContact N-O 3.25Å; C106-I130 VanDerWaalsContact N-O 3.09Å; C106-V131 WeakPolarHBondContact O-CA 3.29Å; C106-L132 PolarHBondContact O-N 3.11Å |
| 107 | E | 90.7 | Very high | 87.7 | Confident | 50 Ų | 50 | 65 Ų | 65 | 23% | 0.234 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -68.1 | -47.3 | -176.8 | -167.1 | 65.6 | -173.9 | 0 | 0 | 110.8 | Y77 L132 Q133 | Y77-E107 PolarHBondContact OH-OE2 3.37Å; Y77-E107 VanDerWaalsContact OH-OE2 3.05Å; E107-L132 WeakPolarHBondContact OE2-CD1 3.42Å; E107-Q133 HydrophobicContact CG-CG 4.28Å; E107-Q133 WeakPolarHBondContact O-CA 3.31Å; E107-Q133 VanDerWaalsContact O-CB 3.26Å; E107-Q133 WeakPolarHBondContact O-CB 3.45Å; E107-Q133 PolarHBondContact O-N 2.93Å; E107-Q133 WeakPolarHBondContact OE1-CG 3.38Å; E107-Q133 PolarHBondContact OE1-NE2 3.04Å |
| 108 | N | 86.3 | Confident | 87.8 | Confident | 93 Ų | 93 | 58.9 Ų | 58.9 | 50% | 0.497 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -124.6 | 169.9 | -175.2 | -62.2 | -75.3 | 0 | 0 | 0 | 111.3 | C106 | C106-N108 PolarHBondContact SG-O 2.79Š|
| 109 | A | 78.1 | Confident | 87.8 | Confident | 84 Ų | 84 | 55.2 Ų | 55.2 | 69% | 0.694 | 32% | 0.316 | S | S | * | . | P | Polyproline II helix | trans | -57.7 | 139.4 | 171 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 110 | L | 80.4 | Confident | 87.8 | Confident | 39 Ų | 39 | 57.9 Ų | 57.9 | 20% | 0.204 | 34% | 0.339 | C | S | . | . | P | Polyproline II helix | trans | -78.6 | 152.3 | -179.2 | -56.8 | 170.5 | 0 | 0 | 0 | 110.9 | W78 C106 V114 | W78-L110 HydrophobicContact CE3-CD2 4.27Å; W78-L110 HydrophobicContact CH2-CD1 3.83Å; W78-L110 HydrophobicContact CH2-CD2 3.55Å; W78-L110 HydrophobicContact CH2-CG 4.32Å; W78-L110 HydrophobicContact CZ3-CD1 3.59Å; W78-L110 HydrophobicContact CZ3-CD2 3.4Å; W78-L110 VanDerWaalsContact CZ3-CD2 3.4Å; W78-L110 HydrophobicContact CZ3-CG 4.12Å; C106-L110 HydrophobicContact CB-CD2 4.26Å; L110-V114 HydrophobicContact CB-CG1 4.38Å; L110-V114 HydrophobicContact CD2-CG1 4.21Å |
| 111 | S | 76.4 | Confident | 87.9 | Confident | 70 Ų | 70 | 55.9 Ų | 55.9 | 49% | 0.49 | 31% | 0.311 | S | S | . | . | P | Polyproline II helix | trans | -62.6 | 151.9 | 165.4 | 67.1 | 0 | 0 | 0 | 0 | 110.1 | E113 V114 S115 | S111-E113 VanDerWaalsContact C-N 3.3Å; S111-E113 PolarHBondContact O-N 3.19Å; S111-V114 PolarHBondContact O-N 3.14Å; S111-V114 WeakPolarHBondContact OG-CB 3.26Å; S111-V114 VanDerWaalsContact OG-CG2 3.26Å; S111-V114 WeakPolarHBondContact OG-CG2 3.46Å; S111-S115 WeakPolarHBondContact O-CB 3.47Å; S111-S115 PolarHBondContact O-N 3.22Å |
| 112 | E | 78.3 | Confident | 87.8 | Confident | 163 Ų | 163 | 55.5 Ų | 55.5 | 76% | 0.762 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -55.4 | -43.8 | -174.8 | -161.5 | 170.3 | -163 | 0 | 0 | 112.3 | S115 E116 | E112-S115 WeakPolarHBondContact O-CB 3.43Å; E112-S115 PolarHBondContact O-N 3.34Å; E112-E116 PolarHBondContact O-N 3.48Å; E112-E116 VanDerWaalsContact O-N 3.07Å |
| 113 | E | 72.9 | Confident | 87.7 | Confident | 169 Ų | 169 | 59.6 Ų | 59.6 | 79% | 0.79 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -65.4 | -44.1 | 178.8 | -63.4 | 177.9 | 173.4 | 0 | 0 | 113.2 | S111 S115 | S111-E113 VanDerWaalsContact C-N 3.3Å; S111-E113 PolarHBondContact O-N 3.19Å; E113-S115 VanDerWaalsContact C-N 3.29Å |
| 114 | V | 76.2 | Confident | 87.7 | Confident | 39 Ų | 39 | 67.1 Ų | 67.1 | 24% | 0.236 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -67.4 | -38.2 | 177 | 169.5 | 0 | 0 | 0 | 0 | 110 | W78 G80 L110 S111 S117 T118 | W78-V114 HydrophobicContact CH2-CG1 3.54Å; W78-V114 HydrophobicContact CZ2-CG1 3.79Å; G80-V114 WeakPolarHBondContact O-CG1 3.33Å; L110-V114 HydrophobicContact CB-CG1 4.38Å; L110-V114 HydrophobicContact CD2-CG1 4.21Å; S111-V114 PolarHBondContact O-N 3.14Å; S111-V114 WeakPolarHBondContact OG-CB 3.26Å; S111-V114 VanDerWaalsContact OG-CG2 3.26Å; S111-V114 WeakPolarHBondContact OG-CG2 3.46Å; V114-S117 PolarHBondContact O-OG 3.09Å; V114-T118 WeakPolarHBondContact O-CB 3.32Å; V114-T118 PolarHBondContact O-N 3.38Å; V114-T118 VanDerWaalsContact O-N 3.13Å; V114-T118 PolarHBondContact O-OG1 2.86Å |
| 115 | S | 80 | Confident | 87.6 | Confident | 33 Ų | 33 | 68.4 Ų | 68.4 | 23% | 0.231 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -59.7 | -50.6 | -179.6 | -168.7 | 0 | 0 | 0 | 0 | 110.9 | S111 E112 E113 S117 T118 L119 | S111-S115 WeakPolarHBondContact O-CB 3.47Å; S111-S115 PolarHBondContact O-N 3.22Å; E112-S115 WeakPolarHBondContact O-CB 3.43Å; E112-S115 PolarHBondContact O-N 3.34Å; E113-S115 VanDerWaalsContact C-N 3.29Å; S115-S117 PolarHBondContact O-N 3.22Å; S115-T118 PolarHBondContact O-N 3.35Å; S115-L119 WeakPolarHBondContact O-CB 3.44Å; S115-L119 WeakPolarHBondContact O-CD1 3.29Å; S115-L119 WeakPolarHBondContact O-CG 3.47Å; S115-L119 PolarHBondContact O-N 2.82Å; S115-L119 WeakPolarHBondContact OG-CD1 3.5Å |
| 116 | E | 87.4 | Confident | 87.7 | Confident | 143 Ų | 143 | 71.6 Ų | 71.6 | 67% | 0.668 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -60 | -50.6 | -175.9 | -74.8 | -170.2 | 165.2 | 0 | 0 | 113.6 | E112 L119 A120 | E112-E116 PolarHBondContact O-N 3.48Å; E112-E116 VanDerWaalsContact O-N 3.07Å; E116-L119 PolarHBondContact O-N 3.32Å; E116-A120 WeakPolarHBondContact O-CB 3.39Å; E116-A120 PolarHBondContact O-N 3.32Å |
| 117 | S | 88.3 | Confident | 87.9 | Confident | 68 Ų | 68 | 72.2 Ų | 72.2 | 48% | 0.476 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -67.5 | -39.6 | -177.7 | 61.3 | 0 | 0 | 0 | 0 | 112.3 | V114 S115 W121 | V114-S117 PolarHBondContact O-OG 3.09Å; S115-S117 PolarHBondContact O-N 3.22Å; S117-W121 PolarHBondContact O-N 2.69Å; S117-W121 VanDerWaalsContact O-N 3.15Å |
| 118 | T | 91.7 | Very high | 88.1 | Confident | 1 Ų | 1 | 73 Ų | 73 | 1% | 0.006 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -68.8 | -43.5 | 177.3 | -57.5 | 0 | 0 | 0 | 0 | 111.2 | W78 F86 L104 V114 S115 W121 C122 I129 | W78-T118 HydrophobicContact CE3-CG2 4.48Å; W78-T118 HydrophobicContact CH2-CG2 3.54Å; W78-T118 WeakPolarHBondContact CH2-OG1 3.45Å; W78-T118 HydrophobicContact CZ2-CG2 4.42Å; W78-T118 HydrophobicContact CZ3-CG2 3.59Å; F86-T118 HydrophobicContact CZ-CG2 4.03Å; L104-T118 HydrophobicContact CD2-CG2 3.56Å; V114-T118 WeakPolarHBondContact O-CB 3.32Å; V114-T118 PolarHBondContact O-N 3.38Å; V114-T118 VanDerWaalsContact O-N 3.13Å; V114-T118 PolarHBondContact O-OG1 2.86Å; S115-T118 PolarHBondContact O-N 3.35Å; T118-W121 PolarHBondContact O-N 2.95Å; T118-C122 WeakPolarHBondContact O-CB 3.23Å; T118-C122 PolarHBondContact O-N 3.26Å; T118-C122 PolarHBondContact O-SG 3.33Å; T118-I129 HydrophobicContact CG2-CD1 4.07Å |
| 119 | L | 91.6 | Very high | 88.5 | Confident | 73 Ų | 73 | 70.5 Ų | 70.5 | 38% | 0.382 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -61.4 | -44.6 | 176.6 | -76.9 | 168.8 | 0 | 0 | 0 | 111.1 | S115 E116 W121 C122 I123 I129 | S115-L119 WeakPolarHBondContact O-CB 3.44Å; S115-L119 WeakPolarHBondContact O-CD1 3.29Å; S115-L119 WeakPolarHBondContact O-CG 3.47Å; S115-L119 PolarHBondContact O-N 2.82Å; S115-L119 WeakPolarHBondContact OG-CD1 3.5Å; E116-L119 PolarHBondContact O-N 3.32Å; L119-W121 VanDerWaalsContact C-N 3.32Å; L119-W121 PolarHBondContact O-N 2.79Å; L119-C122 PolarHBondContact O-N 2.98Å; L119-I123 VanDerWaalsContact O-CG1 3.29Å; L119-I123 WeakPolarHBondContact O-CG1 3.41Å; L119-I123 PolarHBondContact O-N 3.05Å; L119-I129 HydrophobicContact CD2-CD1 3.61Å; L119-I129 HydrophobicContact CD2-CG1 4.49Å; L119-I129 HydrophobicContact CG-CD1 4.18Å |
| 120 | A | 93.6 | Very high | 89.3 | Confident | 60 Ų | 60 | 66.8 Ų | 66.8 | 50% | 0.496 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -57.8 | -46.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | E116 C122 I123 E124 | E116-A120 WeakPolarHBondContact O-CB 3.39Å; E116-A120 PolarHBondContact O-N 3.32Å; A120-C122 PolarHBondContact O-N 3.47Å; A120-I123 PolarHBondContact O-N 2.94Å; A120-E124 PolarHBondContact O-N 3.44Å |
| 121 | W | 95.4 | Very high | 90 | Very high | 24 Ų | 24 | 67 Ų | 67 | 9% | 0.091 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -63.5 | -41.2 | 176.2 | -174.7 | 90.6 | 0 | 0 | 0 | 112.4 | F86 Q87 W90 S117 T118 L119 E124 N125 F127 | F86-W121 HydrophobicContact CD2-CD2 4.42Å; F86-W121 AromaticContact CD2-CE3 3.95Å; F86-W121 HydrophobicContact CD2-CE3 3.95Å; F86-W121 AromaticContact CD2-CH2 3.73Å; F86-W121 HydrophobicContact CD2-CH2 3.73Å; F86-W121 HydrophobicContact CD2-CZ2 4.23Å; F86-W121 AromaticContact CD2-CZ3 3.58Å; F86-W121 HydrophobicContact CD2-CZ3 3.58Å; F86-W121 AromaticContact CE2-CD2 3.81Å; F86-W121 HydrophobicContact CE2-CD2 3.81Å; F86-W121 AromaticContact CE2-CE3 3.42Å; F86-W121 HydrophobicContact CE2-CE3 3.42Å; F86-W121 VanDerWaalsContact CE2-CE3 3.42Å; F86-W121 HydrophobicContact CE2-CH2 4.07Å; F86-W121 HydrophobicContact CE2-CZ2 4.41Å; F86-W121 AromaticContact CE2-CZ3 3.57Å; F86-W121 HydrophobicContact CE2-CZ3 3.57Å; F86-W121 HydrophobicContact CZ-CE3 4.48Å; Q87-W121 HydrophobicContact CB-CZ2 4.38Å; Q87-W121 HydrophobicContact CG-CD2 3.98Å; Q87-W121 HydrophobicContact CG-CG 4.12Å; Q87-W121 HydrophobicContact CG-CZ2 4.01Å; W90-W121 HydrophobicContact CB-CH2 3.84Å; W90-W121 HydrophobicContact CB-CZ2 3.79Å; W90-W121 AromaticContact CD1-CH2 3.92Å; W90-W121 AromaticContact CD1-CZ2 3.52Å; W90-W121 AromaticContact CG-CH2 3.85Å; W90-W121 HydrophobicContact CG-CH2 3.85Å; W90-W121 AromaticContact CG-CZ2 3.8Å; W90-W121 HydrophobicContact CG-CZ2 3.8Å; S117-W121 PolarHBondContact O-N 2.69Å; S117-W121 VanDerWaalsContact O-N 3.15Å; T118-W121 PolarHBondContact O-N 2.95Å; L119-W121 VanDerWaalsContact C-N 3.32Å; L119-W121 PolarHBondContact O-N 2.79Å; W121-E124 PolarHBondContact O-N 2.91Å; W121-N125 HydrophobicContact CD2-CB 4.44Å; W121-N125 HydrophobicContact CE3-CB 4.38Å; W121-N125 HydrophobicContact CH2-CB 4.12Å; W121-N125 HydrophobicContact CZ2-CB 4.14Å; W121-N125 HydrophobicContact CZ3-CB 4.23Å; W121-N125 PolarHBondContact NE1-ND2 3.35Å; W121-N125 WeakPolarHBondContact O-CB 3.16Å; W121-N125 PolarHBondContact O-N 3.02Å; W121-N125 PolarHBondContact O-ND2 2.88Å; W121-F127 HydrophobicContact CE3-CD2 4.48Å; W121-F127 AromaticContact CH2-CD2 3.82Å; W121-F127 HydrophobicContact CH2-CD2 3.82Å; W121-F127 AromaticContact CH2-CE2 3.66Å; W121-F127 HydrophobicContact CH2-CE2 3.66Å; W121-F127 HydrophobicContact CH2-CZ 4.24Å; W121-F127 HydrophobicContact CZ3-CB 4.43Å; W121-F127 HydrophobicContact CZ3-CD1 4.44Å; W121-F127 AromaticContact CZ3-CD2 3.52Å; W121-F127 HydrophobicContact CZ3-CD2 3.52Å; W121-F127 AromaticContact CZ3-CE2 3.85Å; W121-F127 HydrophobicContact CZ3-CE2 3.85Å; W121-F127 AromaticContact CZ3-CG 3.87Å; W121-F127 HydrophobicContact CZ3-CG 3.87Å; W121-F127 HydrophobicContact CZ3-CZ 4.46Å |
| 122 | C | 95.7 | Very high | 90.8 | Very high | 2 Ų | 2 | 65 Ų | 65 | 1% | 0.014 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.8 | -45 | 178.8 | -71.3 | 0 | 0 | 0 | 0 | 111.3 | L104 T118 L119 A120 E124 N125 A126 F127 I129 | L104-C122 VanDerWaalsContact CD2-SG 3.57Å; T118-C122 WeakPolarHBondContact O-CB 3.23Å; T118-C122 PolarHBondContact O-N 3.26Å; T118-C122 PolarHBondContact O-SG 3.33Å; L119-C122 PolarHBondContact O-N 2.98Å; A120-C122 PolarHBondContact O-N 3.47Å; C122-E124 PolarHBondContact O-N 2.85Å; C122-N125 CarbonylContact O-C 3.49Å; C122-N125 PolarHBondContact O-N 2.76Å; C122-A126 CarbonylContact O-C 3.59Å; C122-A126 WeakPolarHBondContact O-CA 3.42Å; C122-A126 PolarHBondContact O-N 3.4Å; C122-F127 HydrophobicContact CB-CB 3.84Å; C122-F127 PolarHBondContact O-N 2.98Å; C122-I129 HydrophobicContact CB-CD1 4.44Å; C122-I129 HydrophobicContact CB-CG1 4.26Å |
| 123 | I | 95.6 | Very high | 91.5 | Very high | 138 Ų | 138 | 62.5 Ų | 62.5 | 71% | 0.708 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -59.5 | -47.7 | 175.8 | -68.3 | 164.1 | 0 | 0 | 0 | 110.5 | L119 A120 N125 A126 | L119-I123 VanDerWaalsContact O-CG1 3.29Å; L119-I123 WeakPolarHBondContact O-CG1 3.41Å; L119-I123 PolarHBondContact O-N 3.05Å; A120-I123 PolarHBondContact O-N 2.94Å; I123-N125 VanDerWaalsContact C-N 3.26Å; I123-N125 PolarHBondContact O-N 2.89Å; I123-A126 PolarHBondContact O-N 3.22Å |
| 124 | E | 96.6 | Very high | 92.3 | Very high | 160 Ų | 160 | 55.7 Ų | 55.7 | 75% | 0.748 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -61.2 | -35.4 | -179.9 | -174.4 | 177 | -172.4 | 0 | 0 | 112.4 | A120 W121 C122 | A120-E124 PolarHBondContact O-N 3.44Å; W121-E124 PolarHBondContact O-N 2.91Å; C122-E124 PolarHBondContact O-N 2.85Å |
| 125 | N | 96.6 | Very high | 93.1 | Very high | 26 Ų | 26 | 56.7 Ų | 56.7 | 14% | 0.139 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -101.2 | 8.7 | -176.4 | -67.8 | -83.9 | 0 | 0 | 0 | 113.8 | W90 R102 W121 C122 I123 F127 | W90-N125 PolarHBondContact NE1-OD1 3.43Å; R102-N125 VanDerWaalsContact CD-O 3.26Å; R102-N125 WeakPolarHBondContact CD-O 3.43Å; R102-N125 PolarHBondContact NH1-O 3.05Å; W121-N125 HydrophobicContact CD2-CB 4.44Å; W121-N125 HydrophobicContact CE3-CB 4.38Å; W121-N125 HydrophobicContact CH2-CB 4.12Å; W121-N125 HydrophobicContact CZ2-CB 4.14Å; W121-N125 HydrophobicContact CZ3-CB 4.23Å; W121-N125 PolarHBondContact NE1-ND2 3.35Å; W121-N125 WeakPolarHBondContact O-CB 3.16Å; W121-N125 PolarHBondContact O-N 3.02Å; W121-N125 PolarHBondContact O-ND2 2.88Å; C122-N125 CarbonylContact O-C 3.49Å; C122-N125 PolarHBondContact O-N 2.76Å; I123-N125 VanDerWaalsContact C-N 3.26Å; I123-N125 PolarHBondContact O-N 2.89Å; N125-F127 VanDerWaalsContact C-N 3.26Å; N125-F127 HydrophobicContact CB-CD2 3.75Å; N125-F127 HydrophobicContact CB-CE2 4.12Å; N125-F127 WeakPolarHBondContact O-CD2 3.44Å; N125-F127 PolarHBondContact O-N 2.93Å |
| 126 | A | 96.5 | Very high | 93.8 | Very high | 67 Ų | 67 | 61.5 Ų | 61.5 | 55% | 0.554 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.6 | 37.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | R102 C122 I123 | R102-A126 WeakPolarHBondContact CB-O 3.31Å; C122-A126 CarbonylContact O-C 3.59Å; C122-A126 WeakPolarHBondContact O-CA 3.42Å; C122-A126 PolarHBondContact O-N 3.4Å; I123-A126 PolarHBondContact O-N 3.22Å |
| 127 | F | 97.4 | Very high | 94 | Very high | 14 Ų | 14 | 60.3 Ų | 60.3 | 6% | 0.061 | 34% | 0.338 | C | S | . | . | P | Polyproline II helix | trans | -86.3 | 141 | 169.2 | -83.1 | -100.4 | 0 | 0 | 0 | 110.9 | I74 F76 W90 R102 L104 W121 C122 N125 | I74-F127 HydrophobicContact CG2-CE1 4Å; I74-F127 HydrophobicContact CG2-CZ 3.88Å; F76-F127 HydrophobicContact CD2-CD1 4.44Å; F76-F127 AromaticContact CD2-CE1 3.5Å; F76-F127 HydrophobicContact CD2-CE1 3.5Å; F76-F127 AromaticContact CD2-CZ 3.87Å; F76-F127 HydrophobicContact CD2-CZ 3.87Å; F76-F127 AromaticContact CE2-CE1 3.79Å; F76-F127 HydrophobicContact CE2-CE1 3.79Å; F76-F127 AromaticContact CE2-CZ 3.63Å; F76-F127 HydrophobicContact CE2-CZ 3.63Å; W90-F127 AromaticContact CD2-CE2 3.69Å; W90-F127 HydrophobicContact CD2-CE2 3.69Å; W90-F127 AromaticContact CD2-CZ 3.98Å; W90-F127 HydrophobicContact CD2-CZ 3.98Å; W90-F127 AromaticContact CE2-CE2 3.9Å; W90-F127 AromaticContact CE3-CE2 3.75Å; W90-F127 HydrophobicContact CE3-CE2 3.75Å; W90-F127 AromaticContact CE3-CZ 3.6Å; W90-F127 HydrophobicContact CE3-CZ 3.6Å; W90-F127 HydrophobicContact CG-CE2 4.21Å; W90-F127 HydrophobicContact CH2-CE2 4.29Å; W90-F127 HydrophobicContact CZ2-CE2 4.2Å; W90-F127 HydrophobicContact CZ3-CE2 4.06Å; W90-F127 AromaticContact CZ3-CZ 3.92Å; W90-F127 HydrophobicContact CZ3-CZ 3.92Å; R102-F127 VanDerWaalsContact C-CD1 3.45Å; R102-F127 HydrophobicContact CB-CB 4.49Å; R102-F127 HydrophobicContact CB-CD1 3.7Å; R102-F127 HydrophobicContact CB-CD2 3.87Å; R102-F127 HydrophobicContact CB-CE1 3.67Å; R102-F127 HydrophobicContact CB-CE2 3.86Å; R102-F127 HydrophobicContact CB-CG 3.78Å; R102-F127 HydrophobicContact CB-CZ 3.75Å; R102-F127 HydrophobicContact CG-CE1 4.49Å; R102-F127 HydrophobicContact CG-CE2 4.15Å; R102-F127 HydrophobicContact CG-CZ 4.13Å; R102-F127 WeakPolarHBondContact O-CA 3.46Å; L104-F127 HydrophobicContact CB-CD1 4.31Å; W121-F127 HydrophobicContact CE3-CD2 4.48Å; W121-F127 AromaticContact CH2-CD2 3.82Å; W121-F127 HydrophobicContact CH2-CD2 3.82Å; W121-F127 AromaticContact CH2-CE2 3.66Å; W121-F127 HydrophobicContact CH2-CE2 3.66Å; W121-F127 HydrophobicContact CH2-CZ 4.24Å; W121-F127 HydrophobicContact CZ3-CB 4.43Å; W121-F127 HydrophobicContact CZ3-CD1 4.44Å; W121-F127 AromaticContact CZ3-CD2 3.52Å; W121-F127 HydrophobicContact CZ3-CD2 3.52Å; W121-F127 AromaticContact CZ3-CE2 3.85Å; W121-F127 HydrophobicContact CZ3-CE2 3.85Å; W121-F127 AromaticContact CZ3-CG 3.87Å; W121-F127 HydrophobicContact CZ3-CG 3.87Å; W121-F127 HydrophobicContact CZ3-CZ 4.46Å; C122-F127 HydrophobicContact CB-CB 3.84Å; C122-F127 PolarHBondContact O-N 2.98Å; N125-F127 VanDerWaalsContact C-N 3.26Å; N125-F127 HydrophobicContact CB-CD2 3.75Å; N125-F127 HydrophobicContact CB-CE2 4.12Å; N125-F127 WeakPolarHBondContact O-CD2 3.44Å; N125-F127 PolarHBondContact O-N 2.93Å |
| 128 | E | 96 | Very high | 94.2 | Very high | 67 Ų | 67 | 60 Ų | 60 | 31% | 0.313 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 132.9 | 165.8 | 179.7 | 176.9 | -174.8 | 0 | 0 | 109.6 | R102 L103 L104 I130 R153 | R102-E128 PolarHBondContact O-N 3.27Å; L103-E128 WeakPolarHBondContact CA-O 3.3Å; L103-E128 HydrophobicContact CD2-CB 3.95Å; L104-E128 PolarHBondContact N-O 3.38Å; E128-I130 HydrophobicContact CG-CG1 4.32Å; E128-R153 IonicContact OE1-CZ 3.33Å; E128-R153 IonicContact OE1-NE 2.79Å; E128-R153 PolarHBondContact OE1-NE 2.69Å; E128-R153 IonicContact OE1-NH2 3.73Å; E128-R153 PolarHBondContact OE1-NH2 3.05Å; E128-R153 IonicContact OE2-CZ 3.95Å; E128-R153 IonicContact OE2-NE 2.69Å; E128-R153 IonicContact OE2-NH2 2.72Å; E128-R153 PolarHBondContact OE2-NH2 2.88Å |
| 129 | I | 94.2 | Very high | 94.4 | Very high | 41 Ų | 41 | 63.4 Ų | 63.4 | 21% | 0.21 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 131.3 | 173.3 | -58.2 | -173.9 | 0 | 0 | 0 | 108.8 | L104 T118 L119 C122 | L104-I129 HydrophobicContact CB-CG1 4.38Å; L104-I129 HydrophobicContact CD2-CD1 4.42Å; L104-I129 HydrophobicContact CD2-CG1 4.32Å; L104-I129 CarbonylContact O-C 3.57Å; L104-I129 VanDerWaalsContact O-CA 3.29Å; L104-I129 WeakPolarHBondContact O-CA 3.49Å; T118-I129 HydrophobicContact CG2-CD1 4.07Å; L119-I129 HydrophobicContact CD2-CD1 3.61Å; L119-I129 HydrophobicContact CD2-CG1 4.49Å; L119-I129 HydrophobicContact CG-CD1 4.18Å; C122-I129 HydrophobicContact CB-CD1 4.44Å; C122-I129 HydrophobicContact CB-CG1 4.26Å |
| 130 | I | 95.3 | Very high | 94.6 | Very high | 6 Ų | 6 | 65 Ų | 65 | 3% | 0.031 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 120.5 | 173.8 | -62.8 | 173.5 | 0 | 0 | 0 | 108.6 | L103 L104 L105 C106 E128 G150 R153 I154 | L103-I130 HydrophobicContact CD1-CD1 4.04Å; L103-I130 HydrophobicContact CD2-CD1 3.94Å; L103-I130 HydrophobicContact CG-CD1 4.42Å; L104-I130 PolarHBondContact O-N 3.08Å; L105-I130 WeakPolarHBondContact CA-O 3.36Å; L105-I130 HydrophobicContact CD2-CB 3.71Å; L105-I130 HydrophobicContact CD2-CD1 4.3Å; L105-I130 HydrophobicContact CD2-CG1 4.46Å; L105-I130 HydrophobicContact CD2-CG2 4.18Å; C106-I130 PolarHBondContact N-O 3.25Å; C106-I130 VanDerWaalsContact N-O 3.09Å; E128-I130 HydrophobicContact CG-CG1 4.32Å; I130-G150 WeakPolarHBondContact CG2-O 3.44Å; I130-R153 HydrophobicContact CD1-CB 4.11Å; I130-R153 HydrophobicContact CD1-CG 3.76Å; I130-R153 HydrophobicContact CG1-CG 4.04Å; I130-I154 HydrophobicContact CD1-CB 4.47Å; I130-I154 HydrophobicContact CD1-CG1 3.64Å; I130-I154 HydrophobicContact CG2-CG1 4.3Å |
| 131 | V | 93.5 | Very high | 94.7 | Very high | 42 Ų | 42 | 67.7 Ų | 67.7 | 26% | 0.255 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 124 | 171.6 | -170.4 | 0 | 0 | 0 | 0 | 108.5 | C106 | C106-V131 WeakPolarHBondContact O-CA 3.29Å |
| 132 | L | 94.5 | Very high | 94.7 | Very high | 30 Ų | 30 | 66.7 Ų | 66.7 | 16% | 0.157 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -79.4 | -33.2 | -177.8 | -66 | 172.8 | 0 | 0 | 0 | 112.7 | I22 Y77 L105 C106 E107 P134 L151 I154 | I22-L132 HydrophobicContact CD1-CD1 3.65Å; I22-L132 HydrophobicContact CD1-CD2 4.18Å; Y77-L132 HydrophobicContact CD2-CD1 4.08Å; Y77-L132 HydrophobicContact CE2-CD1 3.46Å; Y77-L132 VanDerWaalsContact CE2-CD1 3.46Å; L105-L132 HydrophobicContact CB-CD1 4.29Å; L105-L132 HydrophobicContact CB-CG 4.48Å; L105-L132 HydrophobicContact CD1-CD1 4.42Å; L105-L132 HydrophobicContact CD1-CD2 4.39Å; C106-L132 PolarHBondContact O-N 3.11Å; E107-L132 WeakPolarHBondContact OE2-CD1 3.42Å; L132-P134 VanDerWaalsContact O-CD 3.3Å; L132-P134 WeakPolarHBondContact O-CD 3.39Å; L132-L151 HydrophobicContact CD2-CD2 4.34Å; L132-I154 HydrophobicContact CD2-CD1 4.09Å |
| 133 | Q | 92.3 | Very high | 94.7 | Very high | 109 Ų | 109 | 70.2 Ų | 70.2 | 51% | 0.509 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -117.4 | 74.1 | 171.7 | -54.6 | -167.9 | -1.7 | 0 | 0 | 110 | E107 | E107-Q133 HydrophobicContact CG-CG 4.28Å; E107-Q133 WeakPolarHBondContact O-CA 3.31Å; E107-Q133 VanDerWaalsContact O-CB 3.26Å; E107-Q133 WeakPolarHBondContact O-CB 3.45Å; E107-Q133 PolarHBondContact O-N 2.93Å; E107-Q133 WeakPolarHBondContact OE1-CG 3.38Å; E107-Q133 PolarHBondContact OE1-NE2 3.04Å |
| 134 | P | 90.6 | Very high | 94.8 | Very high | 26 Ų | 26 | 70.8 Ų | 70.8 | 17% | 0.169 | 39% | 0.385 | C | S | . | . | trans | -64.8 | 156.7 | 175.7 | 25.2 | -29.3 | 0 | 0 | 0 | 111 | L132 T138 I139 I149 | L132-P134 VanDerWaalsContact O-CD 3.3Å; L132-P134 WeakPolarHBondContact O-CD 3.39Å; P134-T138 HydrophobicContact CB-CG2 3.83Å; P134-I139 HydrophobicContact CB-CG1 4.31Å; P134-I139 HydrophobicContact CG-CD1 4.33Å; P134-I139 HydrophobicContact CG-CG1 3.84Å; P134-I149 HydrophobicContact CG-CD1 3.79Å | ||
| 135 | S | 92.1 | Very high | 94.8 | Very high | 60 Ų | 60 | 67.8 Ų | 67.8 | 42% | 0.42 | 37% | 0.374 | S | S | . | . | trans | -67.9 | 159.2 | 174.9 | 64.8 | 0 | 0 | 0 | 0 | 111.3 | D137 T138 I139 | S135-D137 PolarHBondContact O-N 3.49Å; S135-T138 PolarHBondContact O-N 3.36Å; S135-T138 PolarHBondContact OG-N 3.22Å; S135-T138 PolarHBondContact OG-OG1 2.94Å; S135-I139 WeakPolarHBondContact O-CG1 3.12Å; S135-I139 PolarHBondContact O-N 3.36Å | ||
| 136 | D | 94.1 | Very high | 94.7 | Very high | 134 Ų | 134 | 69.9 Ų | 69.9 | 72% | 0.717 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -55.1 | -37.2 | 175.9 | -69.4 | -21.4 | 0 | 0 | 0 | 112.1 | I139 M140 | D136-I139 PolarHBondContact O-N 3.15Å; D136-M140 WeakPolarHBondContact O-CB 3.3Å; D136-M140 PolarHBondContact O-N 2.99Å |
| 137 | D | 93.4 | Very high | 94.6 | Very high | 119 Ų | 119 | 72.3 Ų | 72.3 | 64% | 0.636 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -63.1 | -45.6 | 176.5 | -68.3 | -21.4 | 0 | 0 | 0 | 111.4 | S135 I139 M140 E141 | S135-D137 PolarHBondContact O-N 3.49Å; D137-I139 VanDerWaalsContact C-N 3.34Å; D137-I139 PolarHBondContact O-N 2.99Å; D137-M140 PolarHBondContact O-N 3.21Å; D137-E141 WeakPolarHBondContact O-CB 3.26Å; D137-E141 PolarHBondContact O-N 3.49Å |
| 138 | T | 92 | Very high | 94.5 | Very high | 61 Ų | 61 | 75.5 Ų | 75.5 | 37% | 0.374 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -65.8 | -37.2 | 176.2 | -59.9 | 0 | 0 | 0 | 0 | 111.7 | P134 S135 A142 | P134-T138 HydrophobicContact CB-CG2 3.83Å; S135-T138 PolarHBondContact O-N 3.36Å; S135-T138 PolarHBondContact OG-N 3.22Å; S135-T138 PolarHBondContact OG-OG1 2.94Å; T138-A142 VanDerWaalsContact O-CB 3.31Å; T138-A142 WeakPolarHBondContact O-CB 3.41Å; T138-A142 PolarHBondContact O-N 2.79Å |
| 139 | I | 94.7 | Very high | 94.5 | Very high | 73 Ų | 73 | 74.9 Ų | 74.9 | 37% | 0.374 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -63.3 | -44.8 | 175 | -66.1 | 166.7 | 0 | 0 | 0 | 110.5 | P134 S135 D136 D137 A142 A143 I149 | P134-I139 HydrophobicContact CB-CG1 4.31Å; P134-I139 HydrophobicContact CG-CD1 4.33Å; P134-I139 HydrophobicContact CG-CG1 3.84Å; S135-I139 WeakPolarHBondContact O-CG1 3.12Å; S135-I139 PolarHBondContact O-N 3.36Å; D136-I139 PolarHBondContact O-N 3.15Å; D137-I139 VanDerWaalsContact C-N 3.34Å; D137-I139 PolarHBondContact O-N 2.99Å; I139-A142 PolarHBondContact O-N 3.23Å; I139-A143 WeakPolarHBondContact O-CB 3.39Å; I139-A143 PolarHBondContact O-N 3.43Å; I139-I149 HydrophobicContact CB-CD1 4.14Å; I139-I149 HydrophobicContact CG1-CD1 3.65Å; I139-I149 HydrophobicContact CG2-CD1 4.34Å |
| 140 | M | 96.4 | Very high | 94.5 | Very high | 107 Ų | 107 | 73.2 Ų | 73.2 | 53% | 0.527 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -64.3 | -46.4 | 179.2 | -174 | 176.4 | 66.5 | 0 | 0 | 111.2 | D136 D137 A142 A143 E144 | D136-M140 WeakPolarHBondContact O-CB 3.3Å; D136-M140 PolarHBondContact O-N 2.99Å; D137-M140 PolarHBondContact O-N 3.21Å; M140-A142 PolarHBondContact O-N 3.48Å; M140-A143 PolarHBondContact O-N 2.89Å; M140-E144 WeakPolarHBondContact O-CG 3.38Å; M140-E144 PolarHBondContact O-N 3.5Å |
| 141 | E | 95.9 | Very high | 94.5 | Very high | 115 Ų | 115 | 75.7 Ų | 75.7 | 54% | 0.537 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -59.8 | -46.8 | 176.7 | -178.2 | 175.8 | -171.8 | 0 | 0 | 111.6 | D137 A143 E144 N145 | D137-E141 WeakPolarHBondContact O-CB 3.26Å; D137-E141 PolarHBondContact O-N 3.49Å; E141-A143 VanDerWaalsContact C-N 3.29Å; E141-A143 PolarHBondContact O-N 2.96Å; E141-E144 PolarHBondContact O-N 3.19Å; E141-N145 WeakPolarHBondContact O-CB 3.4Å; E141-N145 PolarHBondContact O-N 2.85Å; E141-N145 PolarHBondContact O-ND2 3.5Å |
| 142 | A | 95.6 | Very high | 94.5 | Very high | 3 Ų | 3 | 78.6 Ų | 78.6 | 3% | 0.025 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -59.9 | -40.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | T138 I139 M140 N145 G146 E147 I149 | T138-A142 VanDerWaalsContact O-CB 3.31Å; T138-A142 WeakPolarHBondContact O-CB 3.41Å; T138-A142 PolarHBondContact O-N 2.79Å; I139-A142 PolarHBondContact O-N 3.23Å; M140-A142 PolarHBondContact O-N 3.48Å; A142-N145 CarbonylContact O-C 3.59Å; A142-N145 PolarHBondContact O-N 3.42Å; A142-G146 CarbonylContact O-C 3.57Å; A142-G146 WeakPolarHBondContact O-CA 3.43Å; A142-G146 PolarHBondContact O-N 3.29Å; A142-E147 HydrophobicContact CB-CB 4.17Å; A142-E147 PolarHBondContact O-N 3.17Å; A142-I149 HydrophobicContact CB-CD1 4.24Å; A142-I149 HydrophobicContact CB-CG1 4.41Å; A142-I149 HydrophobicContact CB-CG2 3.55Å |
| 143 | A | 96 | Very high | 94.6 | Very high | 77 Ų | 77 | 80 Ų | 80 | 64% | 0.636 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -65.8 | -40.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | I139 M140 E141 N145 G146 | I139-A143 WeakPolarHBondContact O-CB 3.39Å; I139-A143 PolarHBondContact O-N 3.43Å; M140-A143 PolarHBondContact O-N 2.89Å; E141-A143 VanDerWaalsContact C-N 3.29Å; E141-A143 PolarHBondContact O-N 2.96Å; A143-N145 VanDerWaalsContact C-N 3.31Å; A143-N145 PolarHBondContact O-N 3.15Å; A143-G146 PolarHBondContact O-N 2.95Å |
| 144 | E | 97.3 | Very high | 94.8 | Very high | 149 Ų | 149 | 74.8 Ų | 74.8 | 70% | 0.696 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -64.5 | -36.3 | 176 | -73.2 | -178 | 172.8 | 0 | 0 | 112.1 | M140 E141 | M140-E144 WeakPolarHBondContact O-CG 3.38Å; M140-E144 PolarHBondContact O-N 3.5Å; E141-E144 PolarHBondContact O-N 3.19Å |
| 145 | N | 96.3 | Very high | 95.1 | Very high | 97 Ų | 97 | 75.5 Ų | 75.5 | 52% | 0.519 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -88.5 | -9.3 | 179.6 | -65.5 | -35.3 | 0 | 0 | 0 | 113.8 | E141 A142 A143 E147 | E141-N145 WeakPolarHBondContact O-CB 3.4Å; E141-N145 PolarHBondContact O-N 2.85Å; E141-N145 PolarHBondContact O-ND2 3.5Å; A142-N145 CarbonylContact O-C 3.59Å; A142-N145 PolarHBondContact O-N 3.42Å; A143-N145 VanDerWaalsContact C-N 3.31Å; A143-N145 PolarHBondContact O-N 3.15Å; N145-E147 VanDerWaalsContact C-N 3.31Å; N145-E147 HydrophobicContact CB-CG 3.86Å |
| 146 | G | 95.1 | Very high | 95.2 | Very high | 70 Ų | 70 | 75.2 Ų | 75.2 | 72% | 0.722 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.1 | 27 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | A142 A143 | A142-G146 CarbonylContact O-C 3.57Å; A142-G146 WeakPolarHBondContact O-CA 3.43Å; A142-G146 PolarHBondContact O-N 3.29Å; A143-G146 PolarHBondContact O-N 2.95Å |
| 147 | E | 94.8 | Very high | 95.3 | Very high | 119 Ų | 119 | 69.4 Ų | 69.4 | 56% | 0.556 | 38% | 0.378 | S | S | * | . | trans | -87.1 | 148 | 179.9 | -64.6 | -180 | 157.9 | 0 | 0 | 111.4 | A142 N145 | A142-E147 HydrophobicContact CB-CB 4.17Å; A142-E147 PolarHBondContact O-N 3.17Å; N145-E147 VanDerWaalsContact C-N 3.31Å; N145-E147 HydrophobicContact CB-CG 3.86Å | ||
| 148 | K | 95.6 | Very high | 95.3 | Very high | 80 Ų | 80 | 63.7 Ų | 63.7 | 35% | 0.348 | 35% | 0.347 | S | S | . | . | trans | -89.4 | 145.2 | 170.4 | -68.9 | -179.1 | -171.7 | 148.7 | 0 | 110.1 | D152 R153 E156 | K148-D152 HydrophobicContact CB-CB 4.09Å; K148-D152 HydrophobicContact CD-CB 4.13Å; K148-D152 WeakPolarHBondContact CD-O 3.37Å; K148-D152 HydrophobicContact CG-CB 4.23Å; K148-R153 HydrophobicContact CB-CB 4.38Å; K148-R153 WeakPolarHBondContact O-CD 3.42Å; K148-E156 HydrophobicContact CD-CB 3.89Å; K148-E156 HydrophobicContact CD-CG 4.39Å; K148-E156 WeakPolarHBondContact CD-OE1 3.37Å; K148-E156 WeakPolarHBondContact CE-OE1 3.37Å; K148-E156 IonicContact NZ-OE1 3.77Å; K148-E156 PolarHBondContact NZ-OE1 3.17Å | ||
| 149 | I | 95.1 | Very high | 95.4 | Very high | 54 Ų | 54 | 63 Ų | 63 | 28% | 0.277 | 34% | 0.34 | S | S | . | . | trans | -135.1 | 164.9 | -179.7 | 52.2 | 168.6 | 0 | 0 | 0 | 110.6 | P134 I139 A142 L151 D152 R153 | P134-I149 HydrophobicContact CG-CD1 3.79Å; I139-I149 HydrophobicContact CB-CD1 4.14Å; I139-I149 HydrophobicContact CG1-CD1 3.65Å; I139-I149 HydrophobicContact CG2-CD1 4.34Å; A142-I149 HydrophobicContact CB-CD1 4.24Å; A142-I149 HydrophobicContact CB-CG1 4.41Å; A142-I149 HydrophobicContact CB-CG2 3.55Å; I149-L151 PolarHBondContact O-N 2.83Å; I149-D152 PolarHBondContact O-N 3.31Å; I149-R153 PolarHBondContact O-N 3.19Å | ||
| 150 | G | 94.2 | Very high | 95.1 | Very high | 7 Ų | 7 | 65.1 Ų | 65.1 | 7% | 0.072 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | 55.1 | -134 | 179 | 0 | 0 | 0 | 0 | 0 | 113 | I130 D152 R153 I154 | I130-G150 WeakPolarHBondContact CG2-O 3.44Å; G150-D152 VanDerWaalsContact C-N 3.3Å; G150-D152 PolarHBondContact O-N 2.91Å; G150-R153 WeakPolarHBondContact O-CB 3.07Å; G150-R153 PolarHBondContact O-N 2.85Å; G150-R153 VanDerWaalsContact O-N 3.13Å; G150-I154 PolarHBondContact O-N 2.97Å |
| 151 | L | 94.5 | Very high | 94.6 | Very high | 58 Ų | 58 | 62.6 Ų | 62.6 | 30% | 0.304 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -59 | -37.7 | -178.9 | -68.1 | 174.8 | 0 | 0 | 0 | 113.3 | I22 A25 L132 I149 R153 I154 I155 | I22-L151 HydrophobicContact CD1-CD2 4.22Å; A25-L151 HydrophobicContact CB-CD1 3.79Å; A25-L151 HydrophobicContact CB-CD2 4.13Å; L132-L151 HydrophobicContact CD2-CD2 4.34Å; I149-L151 PolarHBondContact O-N 2.83Å; L151-R153 PolarHBondContact O-N 3.39Å; L151-I154 HydrophobicContact CD2-CD1 4.09Å; L151-I154 WeakPolarHBondContact O-CB 3.4Å; L151-I154 PolarHBondContact O-N 2.91Å; L151-I154 VanDerWaalsContact O-N 3.14Å; L151-I155 WeakPolarHBondContact O-CG1 3.21Å; L151-I155 PolarHBondContact O-N 3.09Å |
| 152 | D | 94.6 | Very high | 94.1 | Very high | 102 Ų | 102 | 59.2 Ų | 59.2 | 55% | 0.545 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -64.8 | -32.3 | 179.9 | -77.2 | -24.2 | 0 | 0 | 0 | 111.6 | K148 I149 G150 E156 | K148-D152 HydrophobicContact CB-CB 4.09Å; K148-D152 HydrophobicContact CD-CB 4.13Å; K148-D152 WeakPolarHBondContact CD-O 3.37Å; K148-D152 HydrophobicContact CG-CB 4.23Å; I149-D152 PolarHBondContact O-N 3.31Å; G150-D152 VanDerWaalsContact C-N 3.3Å; G150-D152 PolarHBondContact O-N 2.91Å; D152-E156 WeakPolarHBondContact O-CB 3.11Å; D152-E156 PolarHBondContact O-N 3.24Å |
| 153 | R | 96.6 | Very high | 94.1 | Very high | 59 Ų | 59 | 62 Ų | 62 | 22% | 0.223 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -69.7 | -38.8 | 174.4 | -173.7 | 63.2 | -166.4 | 121 | 13.4 | 112 | E128 I130 K148 I149 G150 L151 E156 A157 | E128-R153 IonicContact OE1-CZ 3.33Å; E128-R153 IonicContact OE1-NE 2.79Å; E128-R153 PolarHBondContact OE1-NE 2.69Å; E128-R153 IonicContact OE1-NH2 3.73Å; E128-R153 PolarHBondContact OE1-NH2 3.05Å; E128-R153 IonicContact OE2-CZ 3.95Å; E128-R153 IonicContact OE2-NE 2.69Å; E128-R153 IonicContact OE2-NH2 2.72Å; E128-R153 PolarHBondContact OE2-NH2 2.88Å; I130-R153 HydrophobicContact CD1-CB 4.11Å; I130-R153 HydrophobicContact CD1-CG 3.76Å; I130-R153 HydrophobicContact CG1-CG 4.04Å; K148-R153 HydrophobicContact CB-CB 4.38Å; K148-R153 WeakPolarHBondContact O-CD 3.42Å; I149-R153 PolarHBondContact O-N 3.19Å; G150-R153 WeakPolarHBondContact O-CB 3.07Å; G150-R153 PolarHBondContact O-N 2.85Å; G150-R153 VanDerWaalsContact O-N 3.13Å; L151-R153 PolarHBondContact O-N 3.39Å; R153-E156 IonicContact CZ-OE2 2.89Å; R153-E156 IonicContact NH1-OE2 2.72Å; R153-E156 PolarHBondContact NH1-OE2 3.34Å; R153-E156 PolarHBondContact O-N 2.91Å; R153-A157 PolarHBondContact O-N 3.05Å |
| 154 | I | 96.8 | Very high | 94 | Very high | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -60.5 | -48.4 | 174.3 | -58.1 | 172.4 | 0 | 0 | 0 | 110 | L26 I75 L103 L105 I130 L132 G150 L151 E156 A157 L158 | L26-I154 HydrophobicContact CD1-CG2 4.03Å; L26-I154 HydrophobicContact CD2-CB 4.12Å; L26-I154 HydrophobicContact CD2-CG2 3.75Å; I75-I154 HydrophobicContact CD1-CG2 3.88Å; L103-I154 HydrophobicContact CD1-CB 4.3Å; L103-I154 HydrophobicContact CD1-CG1 4.3Å; L103-I154 HydrophobicContact CD1-CG2 3.83Å; L105-I154 HydrophobicContact CD1-CD1 3.72Å; L105-I154 HydrophobicContact CD2-CD1 3.68Å; L105-I154 HydrophobicContact CD2-CG1 3.98Å; L105-I154 HydrophobicContact CG-CD1 4.38Å; I130-I154 HydrophobicContact CD1-CB 4.47Å; I130-I154 HydrophobicContact CD1-CG1 3.64Å; I130-I154 HydrophobicContact CG2-CG1 4.3Å; L132-I154 HydrophobicContact CD2-CD1 4.09Å; G150-I154 PolarHBondContact O-N 2.97Å; L151-I154 HydrophobicContact CD2-CD1 4.09Å; L151-I154 WeakPolarHBondContact O-CB 3.4Å; L151-I154 PolarHBondContact O-N 2.91Å; L151-I154 VanDerWaalsContact O-N 3.14Å; I154-E156 VanDerWaalsContact C-N 3.3Å; I154-E156 PolarHBondContact O-N 2.88Å; I154-A157 PolarHBondContact O-N 3.49Å; I154-L158 HydrophobicContact CG2-CD1 4.11Å; I154-L158 WeakPolarHBondContact O-CG 3.34Å; I154-L158 PolarHBondContact O-N 3.42Å; I154-L158 VanDerWaalsContact O-N 3.09Å |
| 155 | I | 95.3 | Very high | 93.8 | Very high | 41 Ų | 41 | 56.3 Ų | 56.3 | 21% | 0.21 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -58.5 | -46.6 | 178.5 | -66.6 | 169.7 | 0 | 0 | 0 | 109.8 | L26 W40 L42 L151 A157 L158 Q159 | L26-I155 HydrophobicContact CD2-CG1 3.79Å; W40-I155 HydrophobicContact CH2-CG1 4.15Å; W40-I155 HydrophobicContact CZ2-CG1 4.43Å; L42-I155 HydrophobicContact CD1-CG2 4.11Å; L151-I155 WeakPolarHBondContact O-CG1 3.21Å; L151-I155 PolarHBondContact O-N 3.09Å; I155-A157 PolarHBondContact O-N 3.07Å; I155-L158 PolarHBondContact O-N 3.44Å; I155-Q159 HydrophobicContact CG2-CG 4.14Å; I155-Q159 WeakPolarHBondContact O-CB 3.19Å; I155-Q159 VanDerWaalsContact O-CG 3.25Å; I155-Q159 WeakPolarHBondContact O-CG 3.34Å; I155-Q159 PolarHBondContact O-N 3.32Å |
| 156 | E | 94.9 | Very high | 93.6 | Very high | 54 Ų | 54 | 53.9 Ų | 53.9 | 25% | 0.252 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61.5 | -43.9 | 178.4 | -178 | 171.3 | -97.9 | 0 | 0 | 113.3 | K148 D152 R153 I154 L158 Q159 V160 | K148-E156 HydrophobicContact CD-CB 3.89Å; K148-E156 HydrophobicContact CD-CG 4.39Å; K148-E156 WeakPolarHBondContact CD-OE1 3.37Å; K148-E156 WeakPolarHBondContact CE-OE1 3.37Å; K148-E156 IonicContact NZ-OE1 3.77Å; K148-E156 PolarHBondContact NZ-OE1 3.17Å; D152-E156 WeakPolarHBondContact O-CB 3.11Å; D152-E156 PolarHBondContact O-N 3.24Å; R153-E156 IonicContact CZ-OE2 2.89Å; R153-E156 IonicContact NH1-OE2 2.72Å; R153-E156 PolarHBondContact NH1-OE2 3.34Å; R153-E156 PolarHBondContact O-N 2.91Å; I154-E156 VanDerWaalsContact C-N 3.3Å; I154-E156 PolarHBondContact O-N 2.88Å; E156-L158 VanDerWaalsContact C-N 3.28Å; E156-L158 PolarHBondContact O-N 3.3Å; E156-Q159 PolarHBondContact O-N 2.81Å; E156-V160 WeakPolarHBondContact O-CG2 3.41Å; E156-V160 PolarHBondContact O-N 3.13Å |
| 157 | A | 95.5 | Very high | 93.5 | Very high | 12 Ų | 12 | 52.9 Ų | 52.9 | 10% | 0.099 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -58.8 | -42 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | V101 L103 R153 I154 I155 V160 A161 | V101-A157 HydrophobicContact CG1-CB 4.25Å; L103-A157 HydrophobicContact CD1-CB 4.24Å; L103-A157 HydrophobicContact CD2-CB 4.12Å; R153-A157 PolarHBondContact O-N 3.05Å; I154-A157 PolarHBondContact O-N 3.49Å; I155-A157 PolarHBondContact O-N 3.07Å; A157-V160 PolarHBondContact O-N 3.38Å; A157-A161 PolarHBondContact O-N 3.19Å |
| 158 | L | 95.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -69.4 | -39.6 | 176.1 | -62.2 | 172.9 | 0 | 0 | 0 | 111.9 | V6 W40 L42 A73 V101 I154 I155 E156 V160 A161 F162 | V6-L158 HydrophobicContact CG1-CD2 4.33Å; V6-L158 HydrophobicContact CG2-CD2 4.32Å; W40-L158 HydrophobicContact CH2-CD1 4.17Å; W40-L158 HydrophobicContact CZ3-CD1 3.65Å; L42-L158 HydrophobicContact CD2-CB 3.88Å; A73-L158 HydrophobicContact CB-CD2 3.64Å; V101-L158 HydrophobicContact CB-CD2 4.36Å; V101-L158 HydrophobicContact CG1-CD2 4Å; V101-L158 HydrophobicContact CG2-CD2 4.42Å; I154-L158 HydrophobicContact CG2-CD1 4.11Å; I154-L158 WeakPolarHBondContact O-CG 3.34Å; I154-L158 PolarHBondContact O-N 3.42Å; I154-L158 VanDerWaalsContact O-N 3.09Å; I155-L158 PolarHBondContact O-N 3.44Å; E156-L158 VanDerWaalsContact C-N 3.28Å; E156-L158 PolarHBondContact O-N 3.3Å; L158-V160 PolarHBondContact O-N 3.33Å; L158-A161 PolarHBondContact O-N 2.92Å; L158-F162 HydrophobicContact CB-CD2 4.45Å; L158-F162 HydrophobicContact CD2-CE2 3.95Å; L158-F162 VanDerWaalsContact O-CD2 3.29Å; L158-F162 WeakPolarHBondContact O-CD2 3.17Å; L158-F162 PolarHBondContact O-N 3.21Å |
| 159 | Q | 92.9 | Very high | 93.3 | Very high | 45 Ų | 45 | 46.3 Ų | 46.3 | 21% | 0.21 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64.6 | -25.9 | 176.7 | -74.6 | -178.8 | -29.3 | 0 | 0 | 113.1 | L42 C43 T44 Y47 I155 E156 | L42-Q159 HydrophobicContact CD1-CG 3.67Å; L42-Q159 HydrophobicContact CD2-CB 4.48Å; L42-Q159 HydrophobicContact CD2-CG 3.81Å; L42-Q159 HydrophobicContact CG-CG 3.9Å; C43-Q159 PolarHBondContact O-NE2 2.99Å; C43-Q159 VanDerWaalsContact O-NE2 3.1Å; T44-Q159 HydrophobicContact CG2-CB 3.97Å; T44-Q159 HydrophobicContact CG2-CG 3.81Å; Y47-Q159 PolarHBondContact OH-O 2.77Å; I155-Q159 HydrophobicContact CG2-CG 4.14Å; I155-Q159 WeakPolarHBondContact O-CB 3.19Å; I155-Q159 VanDerWaalsContact O-CG 3.25Å; I155-Q159 WeakPolarHBondContact O-CG 3.34Å; I155-Q159 PolarHBondContact O-N 3.32Å; E156-Q159 PolarHBondContact O-N 2.81Å |
| 160 | V | 88.1 | Confident | 93.1 | Very high | 119 Ų | 119 | 45.7 Ų | 45.7 | 72% | 0.721 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -82.2 | -27.4 | 179.1 | 170.6 | 0 | 0 | 0 | 0 | 111.7 | E156 A157 L158 | E156-V160 WeakPolarHBondContact O-CG2 3.41Å; E156-V160 PolarHBondContact O-N 3.13Å; A157-V160 PolarHBondContact O-N 3.38Å; L158-V160 PolarHBondContact O-N 3.33Å |
| 161 | A | 87 | Confident | 93.1 | Very high | 53 Ų | 53 | 48.9 Ų | 48.9 | 44% | 0.438 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -92.2 | -26.7 | -171.2 | 0 | 0 | 0 | 0 | 0 | 115 | V101 A157 L158 | V101-A161 HydrophobicContact CG2-CB 3.09Å; A157-A161 PolarHBondContact O-N 3.19Å; L158-A161 PolarHBondContact O-N 2.92Å |
| 162 | F | 85.4 | Confident | 92.9 | Very high | 44 Ų | 44 | 48.1 Ų | 48.1 | 19% | 0.193 | 26% | 0.263 | C | S | . | . | trans | -112.2 | 0 | 178.2 | -60.6 | -61.6 | 0 | 0 | 0 | 109.5 | E4 V6 Y47 V49 L51 R72 A73 L158 | E4-F162 HydrophobicContact CB-CD1 3.79Å; E4-F162 HydrophobicContact CB-CE1 3.44Å; E4-F162 VanDerWaalsContact CB-CE1 3.44Å; E4-F162 HydrophobicContact CB-CZ 4.06Å; E4-F162 HydrophobicContact CG-CD1 3.66Å; E4-F162 HydrophobicContact CG-CE1 3.73Å; V6-F162 HydrophobicContact CG2-CE2 4.19Å; V6-F162 HydrophobicContact CG2-CZ 4.47Å; Y47-F162 VanDerWaalsContact CE2-C 3.45Å; Y47-F162 WeakPolarHBondContact CE2-O 3.26Å; Y47-F162 WeakPolarHBondContact CE2-OXT 3.36Å; Y47-F162 PolarHBondContact OH-OXT 3.26Å; V49-F162 HydrophobicContact CB-CB 4.21Å; V49-F162 HydrophobicContact CG1-CB 3.74Å; V49-F162 HydrophobicContact CG2-CB 4.08Å; L51-F162 HydrophobicContact CD1-CD2 4.31Å; L51-F162 HydrophobicContact CD2-CD1 4.39Å; L51-F162 HydrophobicContact CD2-CD2 3.74Å; L51-F162 HydrophobicContact CD2-CE2 3.93Å; L51-F162 HydrophobicContact CD2-CG 3.98Å; L51-F162 HydrophobicContact CD2-CZ 4.33Å; R72-F162 HydrophobicContact CB-CE1 3.54Å; R72-F162 HydrophobicContact CB-CZ 3.72Å; R72-F162 HydrophobicContact CG-CE1 4.27Å; A73-F162 HydrophobicContact CB-CE2 4.03Å; A73-F162 HydrophobicContact CB-CZ 3.94Å; L158-F162 HydrophobicContact CB-CD2 4.45Å; L158-F162 HydrophobicContact CD2-CE2 3.95Å; L158-F162 VanDerWaalsContact O-CD2 3.29Å; L158-F162 WeakPolarHBondContact O-CD2 3.17Å; L158-F162 PolarHBondContact O-N 3.21Å |
Retrieved 162 of 162 residues in 200.1 ms
(Link to these results)