| 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 | 66.5 | Low | 85.9 | Confident | 76 Ų | 76 | 88.9 Ų | 88.9 | 37% | 0.374 | 43% | 0.43 | S | S | . | . | 0 | 118.6 | 0 | -50.2 | -176.2 | -137.5 | 0 | 0 | 109.8 | Y313 F314 D315 Y318 | M1-Y313 WeakPolarHBondContact CB-O 3.4Å; M1-Y313 WeakPolarHBondContact CG-O 3.48Å; M1-F314 HydrophobicContact CE-CD1 3.32Å; M1-F314 HydrophobicContact CE-CE1 3.65Å; M1-F314 HydrophobicContact SD-CD1 3.29Å; M1-F314 WeakPolarHBondContact SD-CD1 3.12Å; M1-F314 HydrophobicContact SD-CE1 3.69Å; M1-F314 HydrophobicContact SD-CG 4.16Å; M1-D315 WeakPolarHBondContact CA-OD2 3.25Å; M1-D315 PolarHBondContact N-OD2 2.89Å; M1-Y318 HydrophobicContact CE-CD2 4.02Å; M1-Y318 HydrophobicContact CE-CG 4.49Å | |||
| 2 | K | 71.5 | Confident | 86.4 | Confident | 191 Ų | 191 | 82.9 Ų | 82.9 | 83% | 0.83 | 41% | 0.405 | S | S | * | . | P | Polyproline II helix | trans | -92.4 | 116.1 | 168.9 | -77.6 | -178.8 | 179.8 | 175.8 | 0 | 108.3 | ||
| 3 | P | 84.9 | Confident | 87.1 | Confident | 65 Ų | 65 | 76.5 Ų | 76.5 | 42% | 0.422 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -72.8 | 139.3 | 178.8 | 26.6 | -31 | 0 | 0 | 0 | 111.3 | I311 | P3-I311 CarbonylContact C-O 3.57Å; P3-I311 VanDerWaalsContact CA-O 3.24Å; P3-I311 WeakPolarHBondContact CA-O 3.38Å |
| 4 | I | 89.8 | Confident | 87.6 | Confident | 55 Ų | 55 | 72.8 Ų | 72.8 | 28% | 0.282 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 125.4 | 164.3 | -53.4 | -175.6 | 0 | 0 | 0 | 107.2 | L6 R310 I311 Y313 | I4-L6 HydrophobicContact CG2-CD2 4.05Å; I4-R310 WeakPolarHBondContact O-CA 3.47Å; I4-I311 HydrophobicContact CB-CB 4.37Å; I4-I311 PolarHBondContact N-O 2.74Å; I4-I311 PolarHBondContact O-N 3.5Å; I4-Y313 HydrophobicContact CD1-CD2 4.22Å; I4-Y313 HydrophobicContact CD1-CE2 3.61Å; I4-Y313 HydrophobicContact CG1-CD2 4.43Å; I4-Y313 HydrophobicContact CG1-CE2 4.21Å |
| 5 | L | 91.2 | Very high | 88 | Confident | 75 Ų | 75 | 70.1 Ų | 70.1 | 39% | 0.393 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 116.5 | 177.2 | -172.2 | 73.4 | 0 | 0 | 0 | 109.3 | Q7 Y308 R310 | L5-Q7 HydrophobicContact CD2-CG 4.14Å; L5-Q7 HydrophobicContact CG-CG 4.23Å; L5-Y308 HydrophobicContact CD1-CD2 4.47Å; L5-Y308 HydrophobicContact CD1-CG 4.02Å; L5-R310 HydrophobicContact CD1-CG 3.61Å |
| 6 | L | 92.1 | Very high | 88.5 | Confident | 5 Ų | 5 | 65.8 Ų | 65.8 | 3% | 0.026 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 119.1 | 174.9 | -53.5 | -178.5 | 0 | 0 | 0 | 109.5 | I4 L25 W37 G42 V309 I311 | I4-L6 HydrophobicContact CG2-CD2 4.05Å; L6-L25 HydrophobicContact CD1-CD2 3.99Å; L6-W37 HydrophobicContact CB-CD2 4.31Å; L6-W37 HydrophobicContact CB-CE3 4.24Å; L6-W37 HydrophobicContact CB-CH2 4.34Å; L6-W37 HydrophobicContact CB-CZ2 4.39Å; L6-W37 HydrophobicContact CB-CZ3 4.24Å; L6-W37 HydrophobicContact CD1-CB 3.96Å; L6-W37 HydrophobicContact CD1-CD2 3.77Å; L6-W37 HydrophobicContact CD1-CE3 4.14Å; L6-W37 HydrophobicContact CD1-CG 3.66Å; L6-W37 HydrophobicContact CD2-CD2 4.45Å; L6-W37 HydrophobicContact CD2-CE3 3.97Å; L6-W37 HydrophobicContact CD2-CZ3 4.38Å; L6-W37 HydrophobicContact CG-CD2 4.41Å; L6-W37 HydrophobicContact CG-CE3 4.35Å; L6-G42 WeakPolarHBondContact CD2-O 3.37Å; L6-V309 HydrophobicContact CB-CB 4.12Å; L6-V309 HydrophobicContact CD1-CB 4.22Å; L6-V309 HydrophobicContact CD1-CG1 4.07Å; L6-V309 PolarHBondContact N-O 2.88Å; L6-V309 PolarHBondContact O-N 2.84Å; L6-I311 HydrophobicContact CD1-CD1 3.61Å; L6-I311 HydrophobicContact CD1-CG1 3.88Å; L6-I311 HydrophobicContact CD2-CD1 4.34Å; L6-I311 HydrophobicContact CG-CD1 4.19Å; L6-I311 HydrophobicContact CG-CG1 4.28Å |
| 7 | Q | 89.8 | Confident | 88.8 | Confident | 127 Ų | 127 | 64.6 Ų | 64.6 | 59% | 0.593 | 32% | 0.315 | S | S | * | . | trans | -110.7 | 105 | 177.2 | -58.9 | -169.6 | -23.7 | 0 | 0 | 108.8 | L5 Y308 | L5-Q7 HydrophobicContact CD2-CG 4.14Å; L5-Q7 HydrophobicContact CG-CG 4.23Å; Q7-Y308 HydrophobicContact CB-CD1 4.37Å; Q7-Y308 HydrophobicContact CB-CE1 4.3Å; Q7-Y308 HydrophobicContact CG-CD1 3.75Å; Q7-Y308 HydrophobicContact CG-CE1 3.7Å | ||
| 8 | G | 87.2 | Confident | 89.2 | Confident | 28 Ų | 28 | 62.1 Ų | 62.1 | 29% | 0.289 | 30% | 0.302 | S | S | . | . | trans | -155.9 | -5.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | N35 | G8-N35 PolarHBondContact O-ND2 2.92Š| ||
| 9 | H | 90.9 | Very high | 89.4 | Confident | 14 Ų | 14 | 58.8 Ų | 58.8 | 7% | 0.065 | 29% | 0.286 | C | S | . | . | trans | -112 | 143.5 | 174 | -68.6 | -71.2 | 0 | 0 | 0 | 109.4 | I13 S27 A29 D31 V33 N35 | H9-I13 HydrophobicContact CB-CD1 3.71Å; H9-I13 VanDerWaalsContact CD2-CD1 3.42Å; H9-I13 WeakPolarHBondContact CD2-CD1 3.4Å; H9-S27 PolarHBondContact NE2-O 3.24Å; H9-S27 PolarHBondContact NE2-OG 3.06Å; H9-A29 HydrophobicContact CB-CB 3.96Å; H9-A29 WeakPolarHBondContact ND1-CB 3.43Å; H9-D31 WeakPolarHBondContact CA-OD2 3.27Å; H9-D31 VanDerWaalsContact CB-OD2 3.27Å; H9-D31 WeakPolarHBondContact CB-OD2 3.32Å; H9-D31 IonicContact CG-OD2 4Å; H9-D31 IonicContact ND1-OD2 2.9Å; H9-D31 PolarHBondContact ND1-OD2 2.68Å; H9-V33 PolarHBondContact CE1-O 3.39Å; H9-N35 PolarHBondContact CD2-ND2 2.83Å; H9-N35 PolarHBondContact CE1-ND2 2.81Å; H9-N35 PolarHBondContact ND1-ND2 3.13Å; H9-N35 PolarHBondContact NE2-ND2 2.87Å | ||
| 10 | E | 89.6 | Confident | 89.3 | Confident | 189 Ų | 189 | 60 Ų | 60 | 88% | 0.883 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -96.9 | -18.4 | 176 | -66 | -171.9 | 169.9 | 0 | 0 | 111.5 | D31 | E10-D31 PolarHBondContact N-OD2 3.22Š|
| 11 | R | 92 | Very high | 89.3 | Confident | 153 Ų | 153 | 64 Ų | 64 | 58% | 0.577 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -118.6 | 168.9 | 179.3 | -63.3 | 176.6 | 171.3 | -165.9 | -1.6 | 112.1 | I13 K30 D31 G307 | R11-I13 PolarHBondContact O-N 2.99Å; R11-K30 HydrophobicContact CB-CB 4.01Å; R11-K30 VanDerWaalsContact CD-O 3.22Å; R11-K30 WeakPolarHBondContact CD-O 2.92Å; R11-K30 PolarHBondContact NH1-O 3.49Å; R11-D31 WeakPolarHBondContact CB-OD1 3.43Å; R11-D31 VanDerWaalsContact CD-OD1 3.27Å; R11-D31 WeakPolarHBondContact CD-OD1 3.24Å; R11-D31 WeakPolarHBondContact CG-OD1 3.42Å; R11-D31 PolarHBondContact N-OD1 3.09Å; R11-D31 PolarHBondContact N-OD2 2.81Å; R11-G307 WeakPolarHBondContact O-CA 3.33Å |
| 12 | S | 91.8 | Very high | 90.4 | Very high | 17 Ų | 17 | 60.3 Ų | 60.3 | 12% | 0.119 | 29% | 0.288 | C | S | . | . | trans | -50 | 131 | 178.4 | -46.9 | 0 | 0 | 0 | 0 | 112.6 | A29 K30 E305 | S12-A29 VanDerWaalsContact O-CA 3.32Å; S12-A29 WeakPolarHBondContact O-CA 3.25Å; S12-A29 WeakPolarHBondContact O-CB 3.47Å; S12-K30 PolarHBondContact O-N 3.32Å; S12-E305 WeakPolarHBondContact CA-O 3.08Å; S12-E305 WeakPolarHBondContact CB-O 3.36Å; S12-E305 WeakPolarHBondContact OG-CG 3.44Å; S12-E305 PolarHBondContact OG-O 2.9Å | ||
| 13 | I | 95.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 136.5 | 174.6 | -52.1 | -55.7 | 0 | 0 | 0 | 108.9 | H9 R11 I16 V28 A29 N289 C290 G304 V309 | H9-I13 HydrophobicContact CB-CD1 3.71Å; H9-I13 VanDerWaalsContact CD2-CD1 3.42Å; H9-I13 WeakPolarHBondContact CD2-CD1 3.4Å; R11-I13 PolarHBondContact O-N 2.99Å; I13-I16 HydrophobicContact CG2-CD1 4.1Å; I13-I16 HydrophobicContact CG2-CG1 3.83Å; I13-V28 VanDerWaalsContact CG2-O 3.27Å; I13-V28 WeakPolarHBondContact CG2-O 3.02Å; I13-A29 HydrophobicContact CD1-CB 4.03Å; I13-N289 VanDerWaalsContact O-CB 3.3Å; I13-N289 WeakPolarHBondContact O-CB 3.45Å; I13-N289 PolarHBondContact O-ND2 3.3Å; I13-C290 VanDerWaalsContact CG2-SG 3.6Å; I13-G304 PolarHBondContact N-O 3.39Å; I13-G304 VanDerWaalsContact N-O 3.14Å; I13-V309 HydrophobicContact CD1-CG2 3.78Å; I13-V309 HydrophobicContact CG1-CG2 3.87Å; I13-V309 HydrophobicContact CG2-CG2 4.34Å |
| 14 | T | 93.8 | Very high | 91.8 | Very high | 24 Ų | 24 | 51.8 Ų | 51.8 | 15% | 0.147 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | -48.6 | -179.9 | 46 | 0 | 0 | 0 | 0 | 110.7 | V28 A29 K30 V55 W56 | T14-V28 PolarHBondContact N-O 3.2Å; T14-V28 VanDerWaalsContact OG1-C 3.23Å; T14-V28 WeakPolarHBondContact OG1-CG2 3.2Å; T14-V28 PolarHBondContact OG1-O 3.14Å; T14-V28 VanDerWaalsContact OG1-O 3.07Å; T14-A29 PolarHBondContact OG1-N 2.79Å; T14-K30 HydrophobicContact CG2-CG 3.76Å; T14-V55 PolarHBondContact OG1-O 3.34Å; T14-W56 WeakPolarHBondContact CB-O 3.49Å; T14-W56 HydrophobicContact CG2-CE3 3.58Å; T14-W56 HydrophobicContact CG2-CZ3 3.81Å; T14-W56 PolarHBondContact OG1-O 3.46Å |
| 15 | Q | 94.2 | Very high | 92.1 | Very high | 32 Ų | 32 | 49.2 Ų | 49.2 | 15% | 0.15 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 151 | 178.3 | -161.8 | 173.1 | 15.2 | 0 | 0 | 111.5 | V28 V58 | Q15-V28 HydrophobicContact CB-CG2 3.72Å; Q15-V28 PolarHBondContact N-O 3.31Å; Q15-V28 VanDerWaalsContact O-CG2 3.31Å; Q15-V28 WeakPolarHBondContact O-CG2 3.21Å; Q15-V28 PolarHBondContact O-N 2.95Å; Q15-V58 VanDerWaalsContact OE1-N 3.17Å |
| 16 | I | 95.3 | Very high | 92.3 | Very high | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 137.8 | 171.4 | -66.5 | 164.6 | 0 | 0 | 0 | 107.7 | I13 L25 F26 C290 A292 G303 V309 | I13-I16 HydrophobicContact CG2-CD1 4.1Å; I13-I16 HydrophobicContact CG2-CG1 3.83Å; I16-L25 HydrophobicContact CG2-CD1 3.26Å; I16-L25 HydrophobicContact CG2-CD2 4.43Å; I16-L25 HydrophobicContact CG2-CG 4Å; I16-F26 WeakPolarHBondContact CA-O 3.23Å; I16-C290 VanDerWaalsContact CG1-SG 3.57Å; I16-A292 HydrophobicContact CG2-CB 4.15Å; I16-G303 VanDerWaalsContact CD1-CA 3.45Å; I16-G303 VanDerWaalsContact CD1-N 3.27Å; I16-V309 HydrophobicContact CD1-CB 4.39Å; I16-V309 HydrophobicContact CD1-CG1 3.65Å; I16-V309 HydrophobicContact CD1-CG2 4Å; I16-V309 HydrophobicContact CG1-CG1 4.43Å; I16-V309 HydrophobicContact CG1-CG2 4.36Å |
| 17 | K | 94.8 | Very high | 92.5 | Very high | 46 Ų | 46 | 45.5 Ų | 45.5 | 20% | 0.2 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 138.5 | 172.8 | -77.4 | -65.5 | -168.5 | 172.6 | 0 | 110.3 | F26 V58 | K17-F26 PolarHBondContact N-O 3.43Å; K17-F26 PolarHBondContact O-N 3.34Å; K17-V58 HydrophobicContact CB-CG1 4.44Å; K17-V58 VanDerWaalsContact CG-O 3.3Å; K17-V58 WeakPolarHBondContact CG-O 3.27Å |
| 18 | Y | 94.7 | Very high | 92.7 | Very high | 19 Ų | 19 | 39.5 Ų | 39.5 | 8% | 0.075 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 151.3 | 165.9 | -75.7 | -92.4 | 0 | 0 | 0 | 109.3 | L24 L25 A292 F293 H294 S301 | Y18-L24 WeakPolarHBondContact CA-O 3.46Å; Y18-L25 HydrophobicContact CD1-CD1 3.83Å; Y18-L25 HydrophobicContact CD2-CD1 3.71Å; Y18-L25 HydrophobicContact CE1-CB 4.45Å; Y18-L25 HydrophobicContact CE1-CD1 3.73Å; Y18-L25 HydrophobicContact CE2-CD1 3.58Å; Y18-L25 HydrophobicContact CG-CD1 3.85Å; Y18-A292 HydrophobicContact CD2-CB 3.92Å; Y18-A292 HydrophobicContact CE2-CB 4.08Å; Y18-F293 VanDerWaalsContact CD2-O 3.24Å; Y18-F293 WeakPolarHBondContact CD2-O 3.35Å; Y18-H294 HydrophobicContact CD1-CB 4.34Å; Y18-H294 AromaticContact CD1-CD2 3.93Å; Y18-H294 HydrophobicContact CE1-CB 4.01Å; Y18-H294 AromaticContact CE1-CD2 3.65Å; Y18-H294 HydrophobicContact CE2-CB 4.46Å; Y18-S301 WeakPolarHBondContact OH-CB 3.38Å; Y18-S301 PolarHBondContact OH-N 3.42Å; Y18-S301 PolarHBondContact OH-OG 3.46Å |
| 19 | N | 93.1 | Very high | 93.1 | Very high | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | trans | -73 | 171 | 161.8 | 77.4 | -39.9 | 0 | 0 | 0 | 111.2 | G22 D23 L24 F26 C60 T64 P295 | N19-G22 PolarHBondContact O-N 2.94Å; N19-G22 VanDerWaalsContact OD1-C 3.27Å; N19-G22 WeakPolarHBondContact OD1-CA 3.3Å; N19-G22 PolarHBondContact OD1-N 3.16Å; N19-D23 PolarHBondContact ND2-OD1 3.18Å; N19-D23 PolarHBondContact OD1-N 2.9Å; N19-D23 PolarHBondContact OD1-OD1 3.12Å; N19-L24 HydrophobicContact CB-CB 4.37Å; N19-L24 PolarHBondContact N-O 3.32Å; N19-L24 VanDerWaalsContact N-O 3.12Å; N19-L24 PolarHBondContact OD1-N 2.98Å; N19-L24 PolarHBondContact OD1-O 3.43Å; N19-L24 VanDerWaalsContact OD1-O 3.09Å; N19-F26 HydrophobicContact CB-CE2 4.15Å; N19-C60 VanDerWaalsContact CA-SG 3.56Å; N19-T64 HydrophobicContact CB-CG2 3.89Å; N19-T64 PolarHBondContact ND2-OG1 3.01Å; N19-P295 WeakPolarHBondContact O-CG 3.45Å | ||
| 20 | R | 87.7 | Confident | 93.2 | Very high | 81 Ų | 81 | 40.8 Ų | 40.8 | 31% | 0.306 | 18% | 0.184 | S | C | . | . | S | Bend | trans | -73.2 | -32.3 | -176 | -59.2 | -63.5 | -79.2 | 177.7 | 1.7 | 113.1 | G22 W62 V198 P295 | R20-G22 PolarHBondContact O-N 3.08Å; R20-W62 HydrophobicContact CG-CD2 4.04Å; R20-W62 HydrophobicContact CG-CE3 3.89Å; R20-W62 HydrophobicContact CG-CG 4.46Å; R20-W62 HydrophobicContact CG-CZ3 4.38Å; R20-W62 VanDerWaalsContact NE-CH2 3.27Å; R20-W62 VanDerWaalsContact NE-CZ3 3.26Å; R20-V198 PolarHBondContact NH2-O 2.92Å; R20-P295 WeakPolarHBondContact O-CB 3.22Å; R20-P295 WeakPolarHBondContact O-CG 3.28Å |
| 21 | E | 89.1 | Confident | 93.3 | Very high | 144 Ų | 144 | 32.9 Ų | 32.9 | 67% | 0.673 | 15% | 0.148 | S | C | * | . | S | Bend | trans | -72.1 | -20.4 | 172.4 | -59.1 | -60.5 | 145.2 | 0 | 0 | 112.1 | D23 | E21-D23 VanDerWaalsContact C-N 3.27Å; E21-D23 PolarHBondContact O-N 3.46Å |
| 22 | G | 89.4 | Confident | 93.2 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.139 | C | C | . | . | S | Bend | trans | 79.8 | -4.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | N19 R20 L24 S39 H294 | N19-G22 PolarHBondContact O-N 2.94Å; N19-G22 VanDerWaalsContact OD1-C 3.27Å; N19-G22 WeakPolarHBondContact OD1-CA 3.3Å; N19-G22 PolarHBondContact OD1-N 3.16Å; R20-G22 PolarHBondContact O-N 3.08Å; G22-L24 VanDerWaalsContact C-N 3.32Å; G22-L24 PolarHBondContact O-N 3.11Å; G22-S39 VanDerWaalsContact O-CB 3.26Å; G22-S39 WeakPolarHBondContact O-CB 3.17Å; G22-S39 PolarHBondContact O-OG 3.04Å; G22-H294 WeakPolarHBondContact CA-NE2 3.04Å; G22-H294 PolarHBondContact O-CD2 2.97Å; G22-H294 VanDerWaalsContact O-CD2 3.31Å; G22-H294 PolarHBondContact O-NE2 2.58Å |
| 23 | D | 92.4 | Very high | 93.2 | Very high | 67 Ų | 67 | 29.2 Ų | 29.2 | 36% | 0.358 | 14% | 0.142 | S | C | . | . | S | Bend | trans | -70 | -26.3 | 177.4 | 65.6 | -40.9 | 0 | 0 | 0 | 113.3 | N19 E21 Y38 S39 | N19-D23 PolarHBondContact ND2-OD1 3.18Å; N19-D23 PolarHBondContact OD1-N 2.9Å; N19-D23 PolarHBondContact OD1-OD1 3.12Å; E21-D23 VanDerWaalsContact C-N 3.27Å; E21-D23 PolarHBondContact O-N 3.46Å; D23-Y38 CarbonylContact O-C 3.52Å; D23-Y38 WeakPolarHBondContact O-CA 3.08Å; D23-S39 PolarHBondContact O-N 2.79Å; D23-S39 PolarHBondContact O-OG 3.36Å |
| 24 | L | 94.6 | Very high | 93.2 | Very high | 10 Ų | 10 | 29.4 Ų | 29.4 | 5% | 0.052 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 142.3 | -179.1 | -60.5 | -178 | 0 | 0 | 0 | 113.1 | Y18 N19 G22 F26 V36 W37 Y38 L45 T64 | Y18-L24 WeakPolarHBondContact CA-O 3.46Å; N19-L24 HydrophobicContact CB-CB 4.37Å; N19-L24 PolarHBondContact N-O 3.32Å; N19-L24 VanDerWaalsContact N-O 3.12Å; N19-L24 PolarHBondContact OD1-N 2.98Å; N19-L24 PolarHBondContact OD1-O 3.43Å; N19-L24 VanDerWaalsContact OD1-O 3.09Å; G22-L24 VanDerWaalsContact C-N 3.32Å; G22-L24 PolarHBondContact O-N 3.11Å; L24-F26 HydrophobicContact CB-CE2 4.31Å; L24-F26 HydrophobicContact CB-CZ 4.42Å; L24-F26 HydrophobicContact CD1-CZ 4.36Å; L24-V36 HydrophobicContact CB-CG1 4.42Å; L24-V36 HydrophobicContact CD1-CG1 4.42Å; L24-V36 HydrophobicContact CD2-CG1 4.28Å; L24-W37 CarbonylContact C-O 3.58Å; L24-W37 WeakPolarHBondContact CA-O 3.42Å; L24-Y38 HydrophobicContact CD2-CD1 3.7Å; L24-Y38 HydrophobicContact CD2-CE1 3.74Å; L24-Y38 HydrophobicContact CD2-CG 4.44Å; L24-L45 HydrophobicContact CD1-CD2 4.27Å; L24-L45 HydrophobicContact CD2-CD2 3.77Å; L24-T64 HydrophobicContact CD1-CG2 3.83Å |
| 25 | L | 95.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 118.1 | 174.2 | -175.3 | 68.5 | 0 | 0 | 0 | 109.5 | L6 I16 Y18 V36 W37 S301 V309 I311 | L6-L25 HydrophobicContact CD1-CD2 3.99Å; I16-L25 HydrophobicContact CG2-CD1 3.26Å; I16-L25 HydrophobicContact CG2-CD2 4.43Å; I16-L25 HydrophobicContact CG2-CG 4Å; Y18-L25 HydrophobicContact CD1-CD1 3.83Å; Y18-L25 HydrophobicContact CD2-CD1 3.71Å; Y18-L25 HydrophobicContact CE1-CB 4.45Å; Y18-L25 HydrophobicContact CE1-CD1 3.73Å; Y18-L25 HydrophobicContact CE2-CD1 3.58Å; Y18-L25 HydrophobicContact CG-CD1 3.85Å; L25-V36 WeakPolarHBondContact O-CA 3.18Å; L25-W37 HydrophobicContact CB-CB 4.3Å; L25-W37 PolarHBondContact N-O 3.35Å; L25-W37 PolarHBondContact O-N 2.83Å; L25-S301 WeakPolarHBondContact CD2-OG 3.27Å; L25-V309 HydrophobicContact CD2-CG1 3.99Å; L25-I311 HydrophobicContact CD2-CD1 3.79Å; L25-I311 HydrophobicContact CD2-CG1 3.87Å |
| 26 | F | 95.7 | Very high | 93.3 | Very high | 3 Ų | 3 | 26.9 Ų | 26.9 | 1% | 0.013 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 129.3 | 172.3 | -60.2 | -81.4 | 0 | 0 | 0 | 109.5 | I16 K17 N19 L24 V36 Y48 V58 C60 V67 | I16-F26 WeakPolarHBondContact CA-O 3.23Å; K17-F26 PolarHBondContact N-O 3.43Å; K17-F26 PolarHBondContact O-N 3.34Å; N19-F26 HydrophobicContact CB-CE2 4.15Å; L24-F26 HydrophobicContact CB-CE2 4.31Å; L24-F26 HydrophobicContact CB-CZ 4.42Å; L24-F26 HydrophobicContact CD1-CZ 4.36Å; F26-V36 HydrophobicContact CD1-CB 4.36Å; F26-V36 HydrophobicContact CD1-CG1 4.04Å; F26-V36 HydrophobicContact CD1-CG2 3.63Å; F26-V36 HydrophobicContact CE1-CB 4.32Å; F26-V36 HydrophobicContact CE1-CG1 3.73Å; F26-V36 HydrophobicContact CE1-CG2 3.63Å; F26-V36 HydrophobicContact CZ-CG1 4.31Å; F26-Y48 HydrophobicContact CD1-CE2 4.24Å; F26-Y48 HydrophobicContact CE1-CE2 4.12Å; F26-V58 HydrophobicContact CB-CG1 4.06Å; F26-V58 HydrophobicContact CB-CG2 4.03Å; F26-V58 HydrophobicContact CG-CG2 4.49Å; F26-C60 HydrophobicContact CD2-CB 4.01Å; F26-C60 HydrophobicContact CE2-CB 3.57Å; F26-C60 HydrophobicContact CZ-CB 4.19Å; F26-V67 HydrophobicContact CD1-CG1 4.22Å; F26-V67 HydrophobicContact CD1-CG2 4.26Å; F26-V67 HydrophobicContact CE1-CG1 4.28Å; F26-V67 HydrophobicContact CE1-CG2 3.51Å; F26-V67 HydrophobicContact CZ-CG2 3.7Å |
| 27 | S | 95.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 132.5 | 174 | 67.8 | 0 | 0 | 0 | 0 | 110.9 | H9 N35 W37 | H9-S27 PolarHBondContact NE2-O 3.24Å; H9-S27 PolarHBondContact NE2-OG 3.06Å; S27-N35 PolarHBondContact N-O 3.41Å; S27-N35 PolarHBondContact O-N 2.97Å; S27-W37 PolarHBondContact OG-NE1 2.62Å |
| 28 | V | 95.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 150.7 | 173.4 | -71.1 | 0 | 0 | 0 | 0 | 110.7 | I13 T14 Q15 A34 V55 V58 | I13-V28 VanDerWaalsContact CG2-O 3.27Å; I13-V28 WeakPolarHBondContact CG2-O 3.02Å; T14-V28 PolarHBondContact N-O 3.2Å; T14-V28 VanDerWaalsContact OG1-C 3.23Å; T14-V28 WeakPolarHBondContact OG1-CG2 3.2Å; T14-V28 PolarHBondContact OG1-O 3.14Å; T14-V28 VanDerWaalsContact OG1-O 3.07Å; Q15-V28 HydrophobicContact CB-CG2 3.72Å; Q15-V28 PolarHBondContact N-O 3.31Å; Q15-V28 VanDerWaalsContact O-CG2 3.31Å; Q15-V28 WeakPolarHBondContact O-CG2 3.21Å; Q15-V28 PolarHBondContact O-N 2.95Å; V28-A34 HydrophobicContact CG1-CB 3.55Å; V28-V55 HydrophobicContact CB-CB 4.1Å; V28-V55 HydrophobicContact CB-CG1 3.85Å; V28-V55 HydrophobicContact CG1-CB 4.17Å; V28-V55 HydrophobicContact CG1-CG1 3.57Å; V28-V55 HydrophobicContact CG2-CG1 4.44Å; V28-V58 HydrophobicContact CB-CB 4.5Å; V28-V58 HydrophobicContact CB-CG1 4.39Å; V28-V58 HydrophobicContact CG1-CB 3.67Å; V28-V58 HydrophobicContact CG1-CG1 3.9Å; V28-V58 HydrophobicContact CG1-CG2 4.32Å; V28-V58 HydrophobicContact CG2-CB 4Å; V28-V58 HydrophobicContact CG2-CG1 3.66Å |
| 29 | A | 94.6 | Very high | 93 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 177.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | H9 S12 I13 T14 D31 V55 | H9-A29 HydrophobicContact CB-CB 3.96Å; H9-A29 WeakPolarHBondContact ND1-CB 3.43Å; S12-A29 VanDerWaalsContact O-CA 3.32Å; S12-A29 WeakPolarHBondContact O-CA 3.25Å; S12-A29 WeakPolarHBondContact O-CB 3.47Å; I13-A29 HydrophobicContact CD1-CB 4.03Å; T14-A29 PolarHBondContact OG1-N 2.79Å; A29-D31 HydrophobicContact CB-CB 4.22Å; A29-D31 PolarHBondContact O-N 3.34Å; A29-D31 VanDerWaalsContact O-O 3.11Å; A29-V55 CarbonylContact C-O 3.58Å; A29-V55 PolarHBondContact O-N 3.31Å |
| 30 | K | 93.5 | Very high | 92.7 | Very high | 70 Ų | 70 | 33.8 Ų | 33.8 | 30% | 0.304 | 17% | 0.167 | S | C | . | . | S | Bend | trans | -67.8 | 8.3 | 167.3 | -60.2 | 177.9 | -175.9 | 168.7 | 0 | 113.7 | R11 S12 T14 A54 W56 | R11-K30 HydrophobicContact CB-CB 4.01Å; R11-K30 VanDerWaalsContact CD-O 3.22Å; R11-K30 WeakPolarHBondContact CD-O 2.92Å; R11-K30 PolarHBondContact NH1-O 3.49Å; S12-K30 PolarHBondContact O-N 3.32Å; T14-K30 HydrophobicContact CG2-CG 3.76Å; K30-A54 HydrophobicContact CB-CB 4.22Å; K30-W56 HydrophobicContact CG-CH2 4.44Å; K30-W56 HydrophobicContact CG-CZ3 4.41Å |
| 31 | D | 91.1 | Very high | 92.7 | Very high | 22 Ų | 22 | 33.5 Ų | 33.5 | 12% | 0.118 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -76.5 | 170.1 | 166.3 | -63.5 | -28 | 0 | 0 | 0 | 110.2 | H9 E10 R11 A29 V33 V55 | H9-D31 WeakPolarHBondContact CA-OD2 3.27Å; H9-D31 VanDerWaalsContact CB-OD2 3.27Å; H9-D31 WeakPolarHBondContact CB-OD2 3.32Å; H9-D31 IonicContact CG-OD2 4Å; H9-D31 IonicContact ND1-OD2 2.9Å; H9-D31 PolarHBondContact ND1-OD2 2.68Å; E10-D31 PolarHBondContact N-OD2 3.22Å; R11-D31 WeakPolarHBondContact CB-OD1 3.43Å; R11-D31 VanDerWaalsContact CD-OD1 3.27Å; R11-D31 WeakPolarHBondContact CD-OD1 3.24Å; R11-D31 WeakPolarHBondContact CG-OD1 3.42Å; R11-D31 PolarHBondContact N-OD1 3.09Å; R11-D31 PolarHBondContact N-OD2 2.81Å; A29-D31 HydrophobicContact CB-CB 4.22Å; A29-D31 PolarHBondContact O-N 3.34Å; A29-D31 VanDerWaalsContact O-O 3.11Å; D31-V33 VanDerWaalsContact C-N 3.26Å; D31-V55 PolarHBondContact O-N 3.21Å |
| 32 | T | 91.2 | Very high | 92.7 | Very high | 63 Ų | 63 | 27.2 Ų | 27.2 | 39% | 0.387 | 15% | 0.146 | S | C | . | . | S | Bend | trans | -87.4 | 2.1 | 176 | 59.8 | 0 | 0 | 0 | 0 | 113.2 | H51 G53 | T32-H51 WeakPolarHBondContact CB-O 3.37Å; T32-H51 WeakPolarHBondContact O-CB 3.37Å; T32-G53 WeakPolarHBondContact CA-O 3.44Å |
| 33 | V | 91.9 | Very high | 92.7 | Very high | 31 Ų | 31 | 33.1 Ų | 33.1 | 19% | 0.188 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 133.3 | -170.4 | -175.1 | 0 | 0 | 0 | 0 | 109.2 | H9 D31 T47 N49 | H9-V33 PolarHBondContact CE1-O 3.39Å; D31-V33 VanDerWaalsContact C-N 3.26Å; V33-T47 HydrophobicContact CG1-CG2 4.39Å; V33-N49 WeakPolarHBondContact CG1-OD1 3.2Å; V33-N49 WeakPolarHBondContact CG2-OD1 3.07Å |
| 34 | A | 94.1 | Very high | 92.8 | Very high | 3 Ų | 3 | 36.5 Ų | 36.5 | 3% | 0.025 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 135.2 | 166.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | V28 T47 Y48 T69 | V28-A34 HydrophobicContact CG1-CB 3.55Å; A34-T47 CarbonylContact O-C 3.53Å; A34-T47 WeakPolarHBondContact O-CA 3.38Å; A34-Y48 HydrophobicContact CB-CD2 4.05Å; A34-Y48 PolarHBondContact N-O 3.27Å; A34-Y48 PolarHBondContact O-N 3.47Å; A34-T69 HydrophobicContact CB-CG2 4.35Å |
| 35 | N | 94.6 | Very high | 92.7 | Very high | 3 Ų | 3 | 39.8 Ų | 39.8 | 2% | 0.016 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 148.4 | 179.3 | -69.6 | -36.4 | 0 | 0 | 0 | 110.5 | G8 H9 S27 W37 T47 | G8-N35 PolarHBondContact O-ND2 2.92Å; H9-N35 PolarHBondContact CD2-ND2 2.83Å; H9-N35 PolarHBondContact CE1-ND2 2.81Å; H9-N35 PolarHBondContact ND1-ND2 3.13Å; H9-N35 PolarHBondContact NE2-ND2 2.87Å; S27-N35 PolarHBondContact N-O 3.41Å; S27-N35 PolarHBondContact O-N 2.97Å; N35-W37 HydrophobicContact CB-CZ2 3.91Å; N35-T47 WeakPolarHBondContact OD1-CG2 3.5Å |
| 36 | V | 95.1 | Very high | 92.5 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.006 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 131.9 | 173.2 | -167.9 | 0 | 0 | 0 | 0 | 109.2 | L24 L25 F26 L45 G46 Y48 | L24-V36 HydrophobicContact CB-CG1 4.42Å; L24-V36 HydrophobicContact CD1-CG1 4.42Å; L24-V36 HydrophobicContact CD2-CG1 4.28Å; L25-V36 WeakPolarHBondContact O-CA 3.18Å; F26-V36 HydrophobicContact CD1-CB 4.36Å; F26-V36 HydrophobicContact CD1-CG1 4.04Å; F26-V36 HydrophobicContact CD1-CG2 3.63Å; F26-V36 HydrophobicContact CE1-CB 4.32Å; F26-V36 HydrophobicContact CE1-CG1 3.73Å; F26-V36 HydrophobicContact CE1-CG2 3.63Å; F26-V36 HydrophobicContact CZ-CG1 4.31Å; V36-L45 HydrophobicContact CB-CB 4.34Å; V36-L45 HydrophobicContact CG1-CB 4.28Å; V36-L45 HydrophobicContact CG1-CD2 4.04Å; V36-L45 PolarHBondContact O-N 2.7Å; V36-G46 PolarHBondContact N-O 3.49Å; V36-G46 PolarHBondContact O-N 3.3Å; V36-Y48 HydrophobicContact CG2-CD2 4.12Å; V36-Y48 HydrophobicContact CG2-CE1 4.28Å; V36-Y48 HydrophobicContact CG2-CE2 3.34Å; V36-Y48 VanDerWaalsContact CG2-CZ 3.46Å; V36-Y48 WeakPolarHBondContact CG2-OH 3.37Å |
| 37 | W | 95.1 | Very high | 92.3 | Very high | 13 Ų | 13 | 43 Ų | 43 | 5% | 0.049 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 147.5 | -177.4 | -47.9 | 85.5 | 0 | 0 | 0 | 109.4 | L6 L24 L25 S27 N35 E43 R44 | L6-W37 HydrophobicContact CB-CD2 4.31Å; L6-W37 HydrophobicContact CB-CE3 4.24Å; L6-W37 HydrophobicContact CB-CH2 4.34Å; L6-W37 HydrophobicContact CB-CZ2 4.39Å; L6-W37 HydrophobicContact CB-CZ3 4.24Å; L6-W37 HydrophobicContact CD1-CB 3.96Å; L6-W37 HydrophobicContact CD1-CD2 3.77Å; L6-W37 HydrophobicContact CD1-CE3 4.14Å; L6-W37 HydrophobicContact CD1-CG 3.66Å; L6-W37 HydrophobicContact CD2-CD2 4.45Å; L6-W37 HydrophobicContact CD2-CE3 3.97Å; L6-W37 HydrophobicContact CD2-CZ3 4.38Å; L6-W37 HydrophobicContact CG-CD2 4.41Å; L6-W37 HydrophobicContact CG-CE3 4.35Å; L24-W37 CarbonylContact C-O 3.58Å; L24-W37 WeakPolarHBondContact CA-O 3.42Å; L25-W37 HydrophobicContact CB-CB 4.3Å; L25-W37 PolarHBondContact N-O 3.35Å; L25-W37 PolarHBondContact O-N 2.83Å; S27-W37 PolarHBondContact OG-NE1 2.62Å; N35-W37 HydrophobicContact CB-CZ2 3.91Å; W37-E43 CarbonylContact C-O 3.59Å; W37-E43 WeakPolarHBondContact CA-O 3.29Å; W37-R44 HydrophobicContact CD2-CB 4.35Å; W37-R44 HydrophobicContact CD2-CG 4.25Å; W37-R44 HydrophobicContact CE3-CB 3.6Å; W37-R44 HydrophobicContact CE3-CG 3.96Å; W37-R44 HydrophobicContact CH2-CB 4.16Å; W37-R44 HydrophobicContact CH2-CG 4.1Å; W37-R44 HydrophobicContact CZ2-CG 4.37Å; W37-R44 HydrophobicContact CZ3-CB 3.51Å; W37-R44 HydrophobicContact CZ3-CG 3.9Å |
| 38 | Y | 93.8 | Very high | 92.2 | Very high | 91 Ų | 91 | 43.3 Ų | 43.3 | 36% | 0.357 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 127.2 | 161.5 | -76.9 | -68.1 | 0 | 0 | 0 | 108.8 | D23 L24 N41 G42 E43 L45 | D23-Y38 CarbonylContact O-C 3.52Å; D23-Y38 WeakPolarHBondContact O-CA 3.08Å; L24-Y38 HydrophobicContact CD2-CD1 3.7Å; L24-Y38 HydrophobicContact CD2-CE1 3.74Å; L24-Y38 HydrophobicContact CD2-CG 4.44Å; Y38-N41 WeakPolarHBondContact CB-OD1 3.35Å; Y38-G42 WeakPolarHBondContact O-CA 3.31Å; Y38-G42 PolarHBondContact O-N 3.41Å; Y38-E43 HydrophobicContact CD2-CB 4.4Å; Y38-E43 PolarHBondContact N-O 2.99Å; Y38-L45 HydrophobicContact CD2-CB 4.3Å; Y38-L45 HydrophobicContact CE2-CB 4.05Å; Y38-L45 HydrophobicContact CE2-CD1 3.75Å; Y38-L45 HydrophobicContact CE2-CG 4.4Å |
| 39 | S | 90.1 | Very high | 92 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -48.1 | 179.8 | 64.3 | 0 | 0 | 0 | 0 | 110.3 | G22 D23 N41 Y313 | G22-S39 VanDerWaalsContact O-CB 3.26Å; G22-S39 WeakPolarHBondContact O-CB 3.17Å; G22-S39 PolarHBondContact O-OG 3.04Å; D23-S39 PolarHBondContact O-N 2.79Å; D23-S39 PolarHBondContact O-OG 3.36Å; S39-N41 PolarHBondContact O-N 2.85Å; S39-Y313 PolarHBondContact O-OH 3.33Å |
| 40 | V | 87.8 | Confident | 91.7 | Very high | 107 Ų | 107 | 49.8 Ų | 49.8 | 65% | 0.648 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -47.4 | -170 | -176.6 | 0 | 0 | 0 | 0 | 113.2 | Y313 | V40-Y313 WeakPolarHBondContact CA-OH 3.24Å; V40-Y313 PolarHBondContact N-OH 2.88Å; V40-Y313 PolarHBondContact O-OH 3.43Å |
| 41 | N | 87.1 | Confident | 91.6 | Very high | 75 Ų | 75 | 46.9 Ų | 46.9 | 40% | 0.401 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.7 | -13.6 | -174.6 | 65.4 | 6 | 0 | 0 | 0 | 113.2 | Y38 S39 E43 | Y38-N41 WeakPolarHBondContact CB-OD1 3.35Å; S39-N41 PolarHBondContact O-N 2.85Å; N41-E43 HydrophobicContact CB-CG 4.38Å; N41-E43 VanDerWaalsContact ND2-CD 3.31Å; N41-E43 WeakPolarHBondContact ND2-CG 3.36Å; N41-E43 PolarHBondContact ND2-OE2 2.93Å; N41-E43 PolarHBondContact O-N 2.86Å; N41-E43 WeakPolarHBondContact OD1-CB 3.42Å; N41-E43 PolarHBondContact OD1-N 3.26Å |
| 42 | G | 87.9 | Confident | 91.6 | Very high | 13 Ų | 13 | 51.3 Ų | 51.3 | 13% | 0.134 | 28% | 0.282 | C | S | . | . | trans | 72.2 | 13.2 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | L6 Y38 | L6-G42 WeakPolarHBondContact CD2-O 3.37Å; Y38-G42 WeakPolarHBondContact O-CA 3.31Å; Y38-G42 PolarHBondContact O-N 3.41Å | ||
| 43 | E | 91.1 | Very high | 91.6 | Very high | 123 Ų | 123 | 49.2 Ų | 49.2 | 58% | 0.575 | 27% | 0.272 | S | S | * | . | trans | -73.8 | 142.3 | 175.1 | -69 | -176.1 | 155.2 | 0 | 0 | 110.5 | W37 Y38 N41 L45 | W37-E43 CarbonylContact C-O 3.59Å; W37-E43 WeakPolarHBondContact CA-O 3.29Å; Y38-E43 HydrophobicContact CD2-CB 4.4Å; Y38-E43 PolarHBondContact N-O 2.99Å; N41-E43 HydrophobicContact CB-CG 4.38Å; N41-E43 VanDerWaalsContact ND2-CD 3.31Å; N41-E43 WeakPolarHBondContact ND2-CG 3.36Å; N41-E43 PolarHBondContact ND2-OE2 2.93Å; N41-E43 PolarHBondContact O-N 2.86Å; N41-E43 WeakPolarHBondContact OD1-CB 3.42Å; N41-E43 PolarHBondContact OD1-N 3.26Å; E43-L45 PolarHBondContact O-N 3.39Å | ||
| 44 | R | 93.1 | Very high | 91.7 | Very high | 139 Ų | 139 | 48.6 Ų | 48.6 | 53% | 0.525 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 116 | 176.4 | -165.2 | 171.2 | 63.1 | 179.9 | -2.4 | 109.4 | W37 | W37-R44 HydrophobicContact CD2-CB 4.35Å; W37-R44 HydrophobicContact CD2-CG 4.25Å; W37-R44 HydrophobicContact CE3-CB 3.6Å; W37-R44 HydrophobicContact CE3-CG 3.96Å; W37-R44 HydrophobicContact CH2-CB 4.16Å; W37-R44 HydrophobicContact CH2-CG 4.1Å; W37-R44 HydrophobicContact CZ2-CG 4.37Å; W37-R44 HydrophobicContact CZ3-CB 3.51Å; W37-R44 HydrophobicContact CZ3-CG 3.9Å |
| 45 | L | 92.4 | Very high | 91.7 | Very high | 78 Ų | 78 | 48.5 Ų | 48.5 | 41% | 0.408 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | -46.9 | 173.7 | 175.8 | 61.1 | 0 | 0 | 0 | 110.5 | L24 V36 Y38 E43 | L24-L45 HydrophobicContact CD1-CD2 4.27Å; L24-L45 HydrophobicContact CD2-CD2 3.77Å; V36-L45 HydrophobicContact CB-CB 4.34Å; V36-L45 HydrophobicContact CG1-CB 4.28Å; V36-L45 HydrophobicContact CG1-CD2 4.04Å; V36-L45 PolarHBondContact O-N 2.7Å; Y38-L45 HydrophobicContact CD2-CB 4.3Å; Y38-L45 HydrophobicContact CE2-CB 4.05Å; Y38-L45 HydrophobicContact CE2-CD1 3.75Å; Y38-L45 HydrophobicContact CE2-CG 4.4Å; E43-L45 PolarHBondContact O-N 3.39Å |
| 46 | G | 91.2 | Very high | 91.7 | Very high | 26 Ų | 26 | 52 Ų | 52 | 27% | 0.268 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -177 | -178.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | V36 | V36-G46 PolarHBondContact N-O 3.49Å; V36-G46 PolarHBondContact O-N 3.3Å |
| 47 | T | 92.8 | Very high | 91.6 | Very high | 45 Ų | 45 | 52 Ų | 52 | 28% | 0.276 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 129.3 | -178.9 | 66 | 0 | 0 | 0 | 0 | 109.8 | V33 A34 N35 N49 | V33-T47 HydrophobicContact CG1-CG2 4.39Å; A34-T47 CarbonylContact O-C 3.53Å; A34-T47 WeakPolarHBondContact O-CA 3.38Å; N35-T47 WeakPolarHBondContact OD1-CG2 3.5Å; T47-N49 PolarHBondContact O-N 3.01Å; T47-N49 PolarHBondContact OG1-ND2 2.89Å |
| 48 | Y | 93.1 | Very high | 91.6 | Very high | 7 Ų | 7 | 51.3 Ų | 51.3 | 3% | 0.027 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 105.5 | 174.7 | -54.1 | -45.9 | 0 | 0 | 0 | 110 | F26 A34 V36 V67 W79 C81 G84 | F26-Y48 HydrophobicContact CD1-CE2 4.24Å; F26-Y48 HydrophobicContact CE1-CE2 4.12Å; A34-Y48 HydrophobicContact CB-CD2 4.05Å; A34-Y48 PolarHBondContact N-O 3.27Å; A34-Y48 PolarHBondContact O-N 3.47Å; V36-Y48 HydrophobicContact CG2-CD2 4.12Å; V36-Y48 HydrophobicContact CG2-CE1 4.28Å; V36-Y48 HydrophobicContact CG2-CE2 3.34Å; V36-Y48 VanDerWaalsContact CG2-CZ 3.46Å; V36-Y48 WeakPolarHBondContact CG2-OH 3.37Å; Y48-V67 HydrophobicContact CE2-CB 4.29Å; Y48-V67 HydrophobicContact CE2-CG1 4.11Å; Y48-V67 HydrophobicContact CE2-CG2 4.24Å; Y48-W79 HydrophobicContact CD1-CE3 4.37Å; Y48-W79 HydrophobicContact CG-CD2 4.27Å; Y48-W79 HydrophobicContact CG-CE3 4.36Å; Y48-W79 HydrophobicContact CG-CG 4.4Å; Y48-C81 WeakPolarHBondContact OH-CA 3.29Å; Y48-G84 VanDerWaalsContact CE1-CA 3.49Å |
| 49 | N | 90.9 | Very high | 91.7 | Very high | 103 Ų | 103 | 48.1 Ų | 48.1 | 55% | 0.551 | 27% | 0.27 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 126.4 | 178.9 | -70.2 | -38.8 | 0 | 0 | 0 | 110.1 | V33 T47 W79 | V33-N49 WeakPolarHBondContact CG1-OD1 3.2Å; V33-N49 WeakPolarHBondContact CG2-OD1 3.07Å; T47-N49 PolarHBondContact O-N 3.01Å; T47-N49 PolarHBondContact OG1-ND2 2.89Å; N49-W79 WeakPolarHBondContact O-CH2 3.42Å |
| 50 | G | 87.3 | Confident | 91.8 | Very high | 32 Ų | 32 | 48.6 Ų | 48.6 | 33% | 0.33 | 27% | 0.273 | S | S | . | . | trans | 167.6 | -27.2 | 168.2 | 0 | 0 | 0 | 0 | 0 | 114 | R77 | G50-R77 PolarHBondContact O-NH1 3.28Å; G50-R77 PolarHBondContact O-NH2 2.95Å | ||
| 51 | H | 92.1 | Very high | 91.9 | Very high | 10 Ų | 10 | 44 Ų | 44 | 5% | 0.046 | 24% | 0.244 | C | C | . | . | trans | -60.5 | 147 | 172.7 | -78.1 | -66.4 | 0 | 0 | 0 | 111 | T32 V55 T69 S71 D73 S75 R77 | T32-H51 WeakPolarHBondContact CB-O 3.37Å; T32-H51 WeakPolarHBondContact O-CB 3.37Å; H51-V55 HydrophobicContact CB-CG2 4.07Å; H51-T69 PolarHBondContact NE2-OG1 2.91Å; H51-S71 VanDerWaalsContact CE1-CB 3.41Å; H51-S71 WeakPolarHBondContact CE1-CB 3.3Å; H51-S71 VanDerWaalsContact ND1-CB 3.31Å; H51-S71 WeakPolarHBondContact ND1-CB 3.37Å; H51-S71 PolarHBondContact ND1-OG 3.24Å; H51-D73 WeakPolarHBondContact CA-OD2 3.08Å; H51-D73 IonicContact CE1-OD1 3.48Å; H51-D73 IonicContact CG-OD2 2.79Å; H51-D73 IonicContact ND1-OD1 3.8Å; H51-D73 PolarHBondContact ND1-OD1 3.42Å; H51-D73 IonicContact ND1-OD2 2.9Å; H51-D73 PolarHBondContact ND1-OD2 3.34Å; H51-S75 PolarHBondContact ND1-OG 3.46Å; H51-R77 VanDerWaalsContact CE1-CD 3.4Å; H51-R77 WeakPolarHBondContact CE1-CD 3.14Å; H51-R77 PolarHBondContact ND1-NE 2.65Å | ||
| 52 | T | 91.8 | Very high | 91.9 | Very high | 115 Ų | 115 | 43.7 Ų | 43.7 | 71% | 0.706 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -104.4 | -9.2 | 177.9 | 55.7 | 0 | 0 | 0 | 0 | 112.2 | D73 | T52-D73 PolarHBondContact N-OD2 2.71Å; T52-D73 VanDerWaalsContact N-OD2 3.17Å; T52-D73 WeakPolarHBondContact OG1-CB 3.42Å |
| 53 | G | 91.1 | Very high | 91.9 | Very high | 18 Ų | 18 | 48 Ų | 48 | 19% | 0.186 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -130.3 | -175.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | T32 | T32-G53 WeakPolarHBondContact CA-O 3.44Š|
| 54 | A | 93.4 | Very high | 91.8 | Very high | 19 Ų | 19 | 43.2 Ų | 43.2 | 16% | 0.157 | 24% | 0.237 | C | C | . | . | trans | -64.6 | 130.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | K30 S71 A72 | K30-A54 HydrophobicContact CB-CB 4.22Å; A54-S71 WeakPolarHBondContact O-CA 3.2Å; A54-S71 PolarHBondContact O-OG 2.75Å; A54-A72 HydrophobicContact CB-CB 4.23Å; A54-A72 WeakPolarHBondContact O-CB 3.43Å; A54-A72 PolarHBondContact O-N 2.9Å | ||
| 55 | V | 95.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 117.8 | 174.9 | -171.2 | 0 | 0 | 0 | 0 | 109.1 | T14 V28 A29 D31 H51 T69 | T14-V55 PolarHBondContact OG1-O 3.34Å; V28-V55 HydrophobicContact CB-CB 4.1Å; V28-V55 HydrophobicContact CB-CG1 3.85Å; V28-V55 HydrophobicContact CG1-CB 4.17Å; V28-V55 HydrophobicContact CG1-CG1 3.57Å; V28-V55 HydrophobicContact CG2-CG1 4.44Å; A29-V55 CarbonylContact C-O 3.58Å; A29-V55 PolarHBondContact O-N 3.31Å; D31-V55 PolarHBondContact O-N 3.21Å; H51-V55 HydrophobicContact CB-CG2 4.07Å; V55-T69 HydrophobicContact CG1-CG2 4.46Å |
| 56 | W | 93.8 | Very high | 91.6 | Very high | 76 Ų | 76 | 39.3 Ų | 39.3 | 29% | 0.288 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | -36.6 | -176.1 | -70.9 | 113.4 | 0 | 0 | 0 | 112.6 | T14 K30 G70 | T14-W56 WeakPolarHBondContact CB-O 3.49Å; T14-W56 HydrophobicContact CG2-CE3 3.58Å; T14-W56 HydrophobicContact CG2-CZ3 3.81Å; T14-W56 PolarHBondContact OG1-O 3.46Å; K30-W56 HydrophobicContact CG-CH2 4.44Å; K30-W56 HydrophobicContact CG-CZ3 4.41Å; W56-G70 PolarHBondContact N-O 3.39Å |
| 57 | C | 93.1 | Very high | 91.7 | Very high | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.007 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 151.3 | -174.7 | 52 | 0 | 0 | 0 | 0 | 112.5 | T69 G70 T98 | C57-T69 WeakPolarHBondContact O-CA 3.3Å; C57-G70 PolarHBondContact N-O 3.07Å; C57-G70 PolarHBondContact O-N 2.56Å; C57-G70 VanDerWaalsContact SG-CA 3.53Å; C57-T98 VanDerWaalsContact SG-C 3.56Å |
| 58 | V | 95.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 140.9 | 173.7 | 64.5 | 0 | 0 | 0 | 0 | 108.3 | Q15 K17 F26 V28 V67 L68 T69 | Q15-V58 VanDerWaalsContact OE1-N 3.17Å; K17-V58 HydrophobicContact CB-CG1 4.44Å; K17-V58 VanDerWaalsContact CG-O 3.3Å; K17-V58 WeakPolarHBondContact CG-O 3.27Å; F26-V58 HydrophobicContact CB-CG1 4.06Å; F26-V58 HydrophobicContact CB-CG2 4.03Å; F26-V58 HydrophobicContact CG-CG2 4.49Å; V28-V58 HydrophobicContact CB-CB 4.5Å; V28-V58 HydrophobicContact CB-CG1 4.39Å; V28-V58 HydrophobicContact CG1-CB 3.67Å; V28-V58 HydrophobicContact CG1-CG1 3.9Å; V28-V58 HydrophobicContact CG1-CG2 4.32Å; V28-V58 HydrophobicContact CG2-CB 4Å; V28-V58 HydrophobicContact CG2-CG1 3.66Å; V58-V67 HydrophobicContact CG2-CG1 3.67Å; V58-L68 CarbonylContact C-O 3.57Å; V58-L68 WeakPolarHBondContact CA-O 3.3Å; V58-T69 HydrophobicContact CB-CG2 4.44Å; V58-T69 HydrophobicContact CG2-CG2 4Å |
| 59 | D | 94.5 | Very high | 91.9 | Very high | 24 Ų | 24 | 35.6 Ų | 35.6 | 13% | 0.128 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 156 | 167.8 | -157.5 | 33.3 | 0 | 0 | 0 | 109.9 | L68 G100 F101 | D59-L68 PolarHBondContact N-O 2.86Å; D59-L68 PolarHBondContact O-N 2.82Å; D59-G100 WeakPolarHBondContact OD2-CA 3.41Å; D59-F101 HydrophobicContact CB-CD2 4.11Å; D59-F101 PolarHBondContact OD2-N 2.96Å |
| 60 | C | 92.8 | Very high | 92 | Very high | 10 Ų | 10 | 30.7 Ų | 30.7 | 7% | 0.068 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 147.1 | 179.4 | 61 | 0 | 0 | 0 | 0 | 110.4 | N19 F26 F101 | N19-C60 VanDerWaalsContact CA-SG 3.56Å; F26-C60 HydrophobicContact CD2-CB 4.01Å; F26-C60 HydrophobicContact CE2-CB 3.57Å; F26-C60 HydrophobicContact CZ-CB 4.19Å; C60-F101 VanDerWaalsContact C-CD2 3.48Å |
| 61 | D | 90.9 | Very high | 92.3 | Very high | 10 Ų | 10 | 29.2 Ų | 29.2 | 5% | 0.053 | 15% | 0.153 | C | C | . | . | trans | -66.6 | 158.8 | 173.7 | -167.1 | 6.5 | 0 | 0 | 0 | 111.4 | D63 T64 N66 F101 G105 | D61-D63 VanDerWaalsContact C-N 3.3Å; D61-D63 PolarHBondContact O-N 3.21Å; D61-T64 PolarHBondContact O-N 2.89Å; D61-N66 HydrophobicContact CB-CB 4.03Å; D61-N66 WeakPolarHBondContact CB-O 3.5Å; D61-N66 PolarHBondContact N-O 3.02Å; D61-N66 PolarHBondContact OD2-ND2 3.4Å; D61-F101 HydrophobicContact CB-CD1 4.01Å; D61-F101 HydrophobicContact CB-CE1 3.92Å; D61-F101 HydrophobicContact CB-CE2 4.49Å; D61-F101 HydrophobicContact CB-CG 4.35Å; D61-F101 HydrophobicContact CB-CZ 4.18Å; D61-G105 WeakPolarHBondContact OD1-CA 3.26Å | ||
| 62 | W | 86.4 | Confident | 92.3 | Very high | 69 Ų | 69 | 30.6 Ų | 30.6 | 26% | 0.261 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -39.5 | 179 | -81.4 | 76.3 | 0 | 0 | 0 | 112.5 | R20 T64 F103 | R20-W62 HydrophobicContact CG-CD2 4.04Å; R20-W62 HydrophobicContact CG-CE3 3.89Å; R20-W62 HydrophobicContact CG-CG 4.46Å; R20-W62 HydrophobicContact CG-CZ3 4.38Å; R20-W62 VanDerWaalsContact NE-CH2 3.27Å; R20-W62 VanDerWaalsContact NE-CZ3 3.26Å; W62-T64 PolarHBondContact O-N 2.78Å; W62-F103 AromaticContact CE2-CD2 3.82Å; W62-F103 AromaticContact CH2-CD2 3.4Å; W62-F103 HydrophobicContact CH2-CD2 3.4Å; W62-F103 VanDerWaalsContact CH2-CD2 3.4Å; W62-F103 AromaticContact CH2-CE2 3.06Å; W62-F103 HydrophobicContact CH2-CE2 3.06Å; W62-F103 HydrophobicContact CH2-CG 4.45Å; W62-F103 AromaticContact CH2-CZ 3.9Å; W62-F103 HydrophobicContact CH2-CZ 3.9Å; W62-F103 AromaticContact CZ2-CD2 3.16Å; W62-F103 HydrophobicContact CZ2-CD2 3.16Å; W62-F103 AromaticContact CZ2-CE2 3.43Å; W62-F103 HydrophobicContact CZ2-CE2 3.43Å; W62-F103 VanDerWaalsContact CZ2-CE2 3.43Å; W62-F103 HydrophobicContact CZ2-CG 4.03Å; W62-F103 HydrophobicContact CZ2-CZ 4.42Å; W62-F103 HydrophobicContact CZ3-CD2 4.29Å; W62-F103 AromaticContact CZ3-CE2 3.74Å; W62-F103 HydrophobicContact CZ3-CE2 3.74Å; W62-F103 HydrophobicContact CZ3-CZ 4.12Å |
| 63 | D | 86.8 | Confident | 92.3 | Very high | 102 Ų | 102 | 26.8 Ų | 26.8 | 55% | 0.545 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -4.3 | 175.7 | -85.1 | 6.9 | 0 | 0 | 0 | 113.3 | D61 K65 | D61-D63 VanDerWaalsContact C-N 3.3Å; D61-D63 PolarHBondContact O-N 3.21Å; D63-K65 HydrophobicContact CB-CB 4.47Å; D63-K65 HydrophobicContact CB-CD 4.03Å; D63-K65 HydrophobicContact CB-CG 4.11Å; D63-K65 PolarHBondContact O-N 3.27Å; D63-K65 IonicContact OD2-NZ 3.5Å; D63-K65 PolarHBondContact OD2-NZ 2.79Å |
| 64 | T | 89.1 | Confident | 92.2 | Very high | 23 Ų | 23 | 28.4 Ų | 28.4 | 14% | 0.141 | 15% | 0.146 | C | C | . | . | S | Bend | trans | 57.2 | 17.6 | -173.2 | -47 | 0 | 0 | 0 | 0 | 113.5 | N19 L24 D61 W62 C81 | N19-T64 HydrophobicContact CB-CG2 3.89Å; N19-T64 PolarHBondContact ND2-OG1 3.01Å; L24-T64 HydrophobicContact CD1-CG2 3.83Å; D61-T64 PolarHBondContact O-N 2.89Å; W62-T64 PolarHBondContact O-N 2.78Å; T64-C81 WeakPolarHBondContact O-CB 3.45Å |
| 65 | K | 89.9 | Confident | 92.1 | Very high | 101 Ų | 101 | 27.7 Ų | 27.7 | 44% | 0.439 | 14% | 0.14 | S | C | . | . | S | Bend | trans | -84.8 | -40.2 | 178 | -70.9 | 170.7 | -169.8 | 147.2 | 0 | 112.6 | D63 C81 | D63-K65 HydrophobicContact CB-CB 4.47Å; D63-K65 HydrophobicContact CB-CD 4.03Å; D63-K65 HydrophobicContact CB-CG 4.11Å; D63-K65 PolarHBondContact O-N 3.27Å; D63-K65 IonicContact OD2-NZ 3.5Å; D63-K65 PolarHBondContact OD2-NZ 2.79Å; K65-C81 WeakPolarHBondContact O-CB 3.46Å; K65-C81 PolarHBondContact O-N 3.41Å |
| 66 | N | 91.8 | Very high | 92 | Very high | 35 Ų | 35 | 27.7 Ų | 27.7 | 19% | 0.187 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 142.2 | -174.9 | -54.9 | -58.4 | 0 | 0 | 0 | 110.8 | D61 L78 W79 L87 F101 | D61-N66 HydrophobicContact CB-CB 4.03Å; D61-N66 WeakPolarHBondContact CB-O 3.5Å; D61-N66 PolarHBondContact N-O 3.02Å; D61-N66 PolarHBondContact OD2-ND2 3.4Å; N66-L78 HydrophobicContact CB-CD1 4.1Å; N66-W79 CarbonylContact C-O 3.56Å; N66-W79 WeakPolarHBondContact CA-O 3.43Å; N66-L87 WeakPolarHBondContact OD1-CD1 3.39Å; N66-F101 HydrophobicContact CB-CE1 4.26Å; N66-F101 HydrophobicContact CB-CZ 4.04Å |
| 67 | V | 94.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 133.8 | 174.4 | -178.2 | 0 | 0 | 0 | 0 | 108.5 | F26 Y48 V58 T69 L78 W79 C81 | F26-V67 HydrophobicContact CD1-CG1 4.22Å; F26-V67 HydrophobicContact CD1-CG2 4.26Å; F26-V67 HydrophobicContact CE1-CG1 4.28Å; F26-V67 HydrophobicContact CE1-CG2 3.51Å; F26-V67 HydrophobicContact CZ-CG2 3.7Å; Y48-V67 HydrophobicContact CE2-CB 4.29Å; Y48-V67 HydrophobicContact CE2-CG1 4.11Å; Y48-V67 HydrophobicContact CE2-CG2 4.24Å; V58-V67 HydrophobicContact CG2-CG1 3.67Å; V67-T69 HydrophobicContact CG1-CG2 4.44Å; V67-L78 CarbonylContact O-C 3.51Å; V67-L78 WeakPolarHBondContact O-CA 3.44Å; V67-W79 HydrophobicContact CB-CB 4.3Å; V67-W79 PolarHBondContact N-O 3.27Å; V67-W79 PolarHBondContact O-N 2.9Å; V67-C81 HydrophobicContact CG2-CB 3.98Å |
| 68 | L | 94.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 125.4 | 179.8 | -173.9 | 67.5 | 0 | 0 | 0 | 109.2 | V58 D59 C76 R77 L78 C99 F101 I108 | V58-L68 CarbonylContact C-O 3.57Å; V58-L68 WeakPolarHBondContact CA-O 3.3Å; D59-L68 PolarHBondContact N-O 2.86Å; D59-L68 PolarHBondContact O-N 2.82Å; L68-C76 WeakPolarHBondContact CD1-SG 3.34Å; L68-R77 WeakPolarHBondContact CA-O 3.18Å; L68-L78 HydrophobicContact CB-CD1 4.44Å; L68-L78 HydrophobicContact CD1-CD1 4.08Å; L68-C99 HydrophobicContact CD2-CB 3.78Å; L68-C99 HydrophobicContact CG-CB 4.12Å; L68-F101 HydrophobicContact CB-CD2 4.23Å; L68-F101 HydrophobicContact CB-CE2 3.31Å; L68-F101 HydrophobicContact CB-CZ 3.69Å; L68-F101 HydrophobicContact CD2-CE2 4.46Å; L68-I108 HydrophobicContact CD1-CD1 3.87Å; L68-I108 HydrophobicContact CD2-CB 3.76Å; L68-I108 HydrophobicContact CD2-CD1 3.95Å; L68-I108 HydrophobicContact CD2-CG1 4.4Å; L68-I108 HydrophobicContact CD2-CG2 3.94Å |
| 69 | T | 94.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 136.1 | 176.5 | 56.7 | 0 | 0 | 0 | 0 | 110.7 | A34 H51 V55 C57 V58 V67 C76 R77 W79 | A34-T69 HydrophobicContact CB-CG2 4.35Å; H51-T69 PolarHBondContact NE2-OG1 2.91Å; V55-T69 HydrophobicContact CG1-CG2 4.46Å; C57-T69 WeakPolarHBondContact O-CA 3.3Å; V58-T69 HydrophobicContact CB-CG2 4.44Å; V58-T69 HydrophobicContact CG2-CG2 4Å; V67-T69 HydrophobicContact CG1-CG2 4.44Å; T69-C76 WeakPolarHBondContact O-CA 3.26Å; T69-C76 PolarHBondContact O-SG 2.83Å; T69-R77 PolarHBondContact N-O 2.89Å; T69-R77 PolarHBondContact O-N 2.97Å; T69-R77 PolarHBondContact OG1-O 2.86Å; T69-W79 PolarHBondContact OG1-NE1 2.79Å |
| 70 | G | 93.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 131.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | W56 C57 | W56-G70 PolarHBondContact N-O 3.39Å; C57-G70 PolarHBondContact N-O 3.07Å; C57-G70 PolarHBondContact O-N 2.56Å; C57-G70 VanDerWaalsContact SG-CA 3.53Å |
| 71 | S | 93.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 161.6 | -168.4 | 160.4 | 0 | 0 | 0 | 0 | 113.3 | H51 A54 D73 S75 V96 | H51-S71 VanDerWaalsContact CE1-CB 3.41Å; H51-S71 WeakPolarHBondContact CE1-CB 3.3Å; H51-S71 VanDerWaalsContact ND1-CB 3.31Å; H51-S71 WeakPolarHBondContact ND1-CB 3.37Å; H51-S71 PolarHBondContact ND1-OG 3.24Å; A54-S71 WeakPolarHBondContact O-CA 3.2Å; A54-S71 PolarHBondContact O-OG 2.75Å; S71-D73 WeakPolarHBondContact CB-OD1 3.42Å; S71-D73 PolarHBondContact O-N 2.95Å; S71-D73 PolarHBondContact OG-N 2.79Å; S71-D73 VanDerWaalsContact OG-N 3.07Å; S71-D73 PolarHBondContact OG-OD1 3.07Å; S71-D73 PolarHBondContact OG-OD2 3.26Å; S71-S75 PolarHBondContact N-O 2.49Å; S71-V96 PolarHBondContact O-N 3.43Å; S71-V96 VanDerWaalsContact O-N 3.13Å |
| 72 | A | 92.2 | Very high | 91.5 | Very high | 40 Ų | 40 | 34 Ų | 34 | 33% | 0.331 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -13.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | A54 N74 | A54-A72 HydrophobicContact CB-CB 4.23Å; A54-A72 WeakPolarHBondContact O-CB 3.43Å; A54-A72 PolarHBondContact O-N 2.9Å; A72-N74 PolarHBondContact O-N 2.87Å; A72-N74 VanDerWaalsContact O-N 3.15Å; A72-N74 PolarHBondContact O-OD1 2.78Å |
| 73 | D | 90.1 | Very high | 91.6 | Very high | 34 Ų | 34 | 34.4 Ų | 34.4 | 18% | 0.182 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | 14 | 175.5 | 67.9 | -5.1 | 0 | 0 | 0 | 113.4 | H51 T52 S71 S75 R77 | H51-D73 WeakPolarHBondContact CA-OD2 3.08Å; H51-D73 IonicContact CE1-OD1 3.48Å; H51-D73 IonicContact CG-OD2 2.79Å; H51-D73 IonicContact ND1-OD1 3.8Å; H51-D73 PolarHBondContact ND1-OD1 3.42Å; H51-D73 IonicContact ND1-OD2 2.9Å; H51-D73 PolarHBondContact ND1-OD2 3.34Å; T52-D73 PolarHBondContact N-OD2 2.71Å; T52-D73 VanDerWaalsContact N-OD2 3.17Å; T52-D73 WeakPolarHBondContact OG1-CB 3.42Å; S71-D73 WeakPolarHBondContact CB-OD1 3.42Å; S71-D73 PolarHBondContact O-N 2.95Å; S71-D73 PolarHBondContact OG-N 2.79Å; S71-D73 VanDerWaalsContact OG-N 3.07Å; S71-D73 PolarHBondContact OG-OD1 3.07Å; S71-D73 PolarHBondContact OG-OD2 3.26Å; D73-S75 PolarHBondContact O-N 2.65Å; D73-S75 WeakPolarHBondContact OD1-CB 3.42Å; D73-S75 PolarHBondContact OD1-N 3.13Å; D73-S75 PolarHBondContact OD1-OG 3.11Å; D73-S75 PolarHBondContact OD2-OG 3Å; D73-R77 IonicContact OD2-NH2 3.93Å |
| 74 | N | 90.8 | Very high | 91.6 | Very high | 53 Ų | 53 | 30.8 Ų | 30.8 | 28% | 0.283 | 17% | 0.169 | S | C | . | . | S | Bend | trans | 54.3 | 38.2 | -175.8 | -52.3 | -23 | 0 | 0 | 0 | 111.8 | A72 T92 S94 A95 | A72-N74 PolarHBondContact O-N 2.87Å; A72-N74 VanDerWaalsContact O-N 3.15Å; A72-N74 PolarHBondContact O-OD1 2.78Å; N74-T92 VanDerWaalsContact CB-O 3.31Å; N74-T92 WeakPolarHBondContact CB-O 3.48Å; N74-T92 PolarHBondContact O-N 2.83Å; N74-T92 VanDerWaalsContact O-O 3.09Å; N74-T92 PolarHBondContact O-OG1 2.92Å; N74-S94 VanDerWaalsContact OD1-C 3.24Å; N74-A95 WeakPolarHBondContact OD1-CA 3.13Å; N74-A95 PolarHBondContact OD1-N 3.17Å |
| 75 | S | 91.2 | Very high | 91.7 | Very high | 4 Ų | 4 | 36.7 Ų | 36.7 | 3% | 0.028 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 145.2 | 172.2 | 75.7 | 0 | 0 | 0 | 0 | 111.5 | H51 S71 D73 R77 L90 | H51-S75 PolarHBondContact ND1-OG 3.46Å; S71-S75 PolarHBondContact N-O 2.49Å; D73-S75 PolarHBondContact O-N 2.65Å; D73-S75 WeakPolarHBondContact OD1-CB 3.42Å; D73-S75 PolarHBondContact OD1-N 3.13Å; D73-S75 PolarHBondContact OD1-OG 3.11Å; D73-S75 PolarHBondContact OD2-OG 3Å; S75-R77 PolarHBondContact OG-NE 3.31Å; S75-L90 CarbonylContact C-O 3.54Å; S75-L90 WeakPolarHBondContact CA-O 3.32Å |
| 76 | C | 92 | Very high | 91.7 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 131.1 | 163 | -160 | 0 | 0 | 0 | 0 | 108 | L68 T69 L90 V96 F110 | L68-C76 WeakPolarHBondContact CD1-SG 3.34Å; T69-C76 WeakPolarHBondContact O-CA 3.26Å; T69-C76 PolarHBondContact O-SG 2.83Å; C76-L90 HydrophobicContact CB-CB 4.11Å; C76-L90 HydrophobicContact CB-CD1 4.49Å; C76-L90 PolarHBondContact N-O 2.87Å; C76-L90 WeakPolarHBondContact O-CB 3.31Å; C76-L90 PolarHBondContact O-N 3.28Å; C76-V96 HydrophobicContact CB-CG2 4.17Å; C76-F110 HydrophobicContact CB-CD1 4.45Å |
| 77 | R | 92.6 | Very high | 91.6 | Very high | 27 Ų | 27 | 38 Ų | 38 | 10% | 0.102 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 133.5 | -175.9 | -67.8 | -177.3 | -171.4 | -155 | 16.3 | 110.4 | G50 H51 L68 T69 D73 S75 W79 Q86 L89 | G50-R77 PolarHBondContact O-NH1 3.28Å; G50-R77 PolarHBondContact O-NH2 2.95Å; H51-R77 VanDerWaalsContact CE1-CD 3.4Å; H51-R77 WeakPolarHBondContact CE1-CD 3.14Å; H51-R77 PolarHBondContact ND1-NE 2.65Å; L68-R77 WeakPolarHBondContact CA-O 3.18Å; T69-R77 PolarHBondContact N-O 2.89Å; T69-R77 PolarHBondContact O-N 2.97Å; T69-R77 PolarHBondContact OG1-O 2.86Å; D73-R77 IonicContact OD2-NH2 3.93Å; S75-R77 PolarHBondContact OG-NE 3.31Å; R77-W79 HydrophobicContact CB-CZ2 4Å; R77-W79 HydrophobicContact CG-CZ2 4.44Å; R77-Q86 HydrophobicContact CB-CG 4.5Å; R77-L89 HydrophobicContact CG-CD1 3.67Å |
| 78 | L | 92.8 | Very high | 91.2 | Very high | 14 Ų | 14 | 38.8 Ų | 38.8 | 7% | 0.073 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 128.6 | 171.3 | -165.5 | 74.2 | 0 | 0 | 0 | 108.3 | N66 V67 L68 L87 A88 F101 L127 M133 | N66-L78 HydrophobicContact CB-CD1 4.1Å; V67-L78 CarbonylContact O-C 3.51Å; V67-L78 WeakPolarHBondContact O-CA 3.44Å; L68-L78 HydrophobicContact CB-CD1 4.44Å; L68-L78 HydrophobicContact CD1-CD1 4.08Å; L78-L87 HydrophobicContact CD2-CB 4.35Å; L78-L87 HydrophobicContact CD2-CD1 4.37Å; L78-L87 PolarHBondContact O-N 3.3Å; L78-A88 HydrophobicContact CB-CB 4.04Å; L78-A88 PolarHBondContact N-O 2.98Å; L78-A88 PolarHBondContact O-N 3.25Å; L78-F101 HydrophobicContact CD1-CE1 4.34Å; L78-F101 HydrophobicContact CD1-CZ 3.82Å; L78-L127 HydrophobicContact CD2-CD2 3.94Å; L78-M133 HydrophobicContact CD2-CE 4.34Å |
| 79 | W | 93.7 | Very high | 91 | Very high | 4 Ų | 4 | 42.2 Ų | 42.2 | 2% | 0.015 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 145.6 | -178.6 | -53.7 | 85.7 | 0 | 0 | 0 | 109.7 | Y48 N49 N66 V67 T69 R77 K85 Q86 | Y48-W79 HydrophobicContact CD1-CE3 4.37Å; Y48-W79 HydrophobicContact CG-CD2 4.27Å; Y48-W79 HydrophobicContact CG-CE3 4.36Å; Y48-W79 HydrophobicContact CG-CG 4.4Å; N49-W79 WeakPolarHBondContact O-CH2 3.42Å; N66-W79 CarbonylContact C-O 3.56Å; N66-W79 WeakPolarHBondContact CA-O 3.43Å; V67-W79 HydrophobicContact CB-CB 4.3Å; V67-W79 PolarHBondContact N-O 3.27Å; V67-W79 PolarHBondContact O-N 2.9Å; T69-W79 PolarHBondContact OG1-NE1 2.79Å; R77-W79 HydrophobicContact CB-CZ2 4Å; R77-W79 HydrophobicContact CG-CZ2 4.44Å; W79-K85 WeakPolarHBondContact CA-O 3.47Å; W79-Q86 HydrophobicContact CD2-CB 4.44Å; W79-Q86 HydrophobicContact CE3-CB 3.84Å; W79-Q86 HydrophobicContact CE3-CG 4.41Å; W79-Q86 HydrophobicContact CH2-CB 4.22Å; W79-Q86 HydrophobicContact CH2-CG 4.48Å; W79-Q86 HydrophobicContact CZ3-CB 3.71Å; W79-Q86 HydrophobicContact CZ3-CG 4.37Å |
| 80 | D | 92.3 | Very high | 90.7 | Very high | 30 Ų | 30 | 42.3 Ų | 42.3 | 16% | 0.16 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 124.3 | 164.4 | 176.2 | 4.1 | 0 | 0 | 0 | 108.8 | E82 T83 G84 K85 L87 | D80-E82 PolarHBondContact OD1-N 2.81Å; D80-T83 WeakPolarHBondContact CB-OG1 3.38Å; D80-T83 VanDerWaalsContact CG-OG1 3.27Å; D80-T83 WeakPolarHBondContact OD2-CB 3.43Å; D80-T83 VanDerWaalsContact OD2-CG2 3.22Å; D80-T83 WeakPolarHBondContact OD2-CG2 3.46Å; D80-T83 PolarHBondContact OD2-OG1 3.26Å; D80-G84 WeakPolarHBondContact O-CA 3.47Å; D80-G84 PolarHBondContact O-N 2.67Å; D80-K85 PolarHBondContact N-O 2.85Å; D80-L87 HydrophobicContact CB-CD1 3.94Å; D80-L87 HydrophobicContact CB-CD2 4.05Å; D80-L87 HydrophobicContact CB-CG 3.9Å |
| 81 | C | 90.6 | Very high | 90.3 | Very high | 10 Ų | 10 | 46.7 Ų | 46.7 | 7% | 0.068 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -38 | -177.9 | -168.7 | 0 | 0 | 0 | 0 | 112.2 | Y48 T64 K65 V67 | Y48-C81 WeakPolarHBondContact OH-CA 3.29Å; T64-C81 WeakPolarHBondContact O-CB 3.45Å; K65-C81 WeakPolarHBondContact O-CB 3.46Å; K65-C81 PolarHBondContact O-N 3.41Å; V67-C81 HydrophobicContact CG2-CB 3.98Å |
| 82 | E | 88.5 | Confident | 89.8 | Confident | 167 Ų | 167 | 47.6 Ų | 47.6 | 78% | 0.78 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | -43.8 | -174.6 | -65.8 | -175.2 | 178 | 0 | 0 | 111.6 | D80 | D80-E82 PolarHBondContact OD1-N 2.81Š|
| 83 | T | 88.3 | Confident | 89.4 | Confident | 79 Ų | 79 | 51.1 Ų | 51.1 | 49% | 0.485 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | -17 | -175.6 | 68.6 | 0 | 0 | 0 | 0 | 113.7 | D80 K85 | D80-T83 WeakPolarHBondContact CB-OG1 3.38Å; D80-T83 VanDerWaalsContact CG-OG1 3.27Å; D80-T83 WeakPolarHBondContact OD2-CB 3.43Å; D80-T83 VanDerWaalsContact OD2-CG2 3.22Å; D80-T83 WeakPolarHBondContact OD2-CG2 3.46Å; D80-T83 PolarHBondContact OD2-OG1 3.26Å; T83-K85 PolarHBondContact O-N 2.88Å; T83-K85 PolarHBondContact OG1-N 2.99Å |
| 84 | G | 87.3 | Confident | 89.3 | Confident | 26 Ų | 26 | 49.7 Ų | 49.7 | 27% | 0.268 | 26% | 0.261 | S | S | . | . | trans | 63.9 | 17.7 | -173 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y48 D80 | Y48-G84 VanDerWaalsContact CE1-CA 3.49Å; D80-G84 WeakPolarHBondContact O-CA 3.47Å; D80-G84 PolarHBondContact O-N 2.67Å | ||
| 85 | K | 90.5 | Very high | 89.2 | Confident | 146 Ų | 146 | 47.4 Ų | 47.4 | 64% | 0.635 | 25% | 0.25 | S | C | * | . | trans | -86.1 | 146.3 | 175.4 | -68.1 | -179.3 | 179.6 | 175.6 | 0 | 110.5 | W79 D80 T83 L87 | W79-K85 WeakPolarHBondContact CA-O 3.47Å; D80-K85 PolarHBondContact N-O 2.85Å; T83-K85 PolarHBondContact O-N 2.88Å; T83-K85 PolarHBondContact OG1-N 2.99Å; K85-L87 PolarHBondContact O-N 3.19Å | ||
| 86 | Q | 90.9 | Very high | 89.3 | Confident | 68 Ų | 68 | 47.2 Ų | 47.2 | 32% | 0.318 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 122.2 | 171.8 | -168.5 | -178.9 | -35.7 | 0 | 0 | 109.4 | R77 W79 A88 L89 | R77-Q86 HydrophobicContact CB-CG 4.5Å; W79-Q86 HydrophobicContact CD2-CB 4.44Å; W79-Q86 HydrophobicContact CE3-CB 3.84Å; W79-Q86 HydrophobicContact CE3-CG 4.41Å; W79-Q86 HydrophobicContact CH2-CB 4.22Å; W79-Q86 HydrophobicContact CH2-CG 4.48Å; W79-Q86 HydrophobicContact CZ3-CB 3.71Å; W79-Q86 HydrophobicContact CZ3-CG 4.37Å; Q86-A88 WeakPolarHBondContact CG-O 3.16Å; Q86-A88 PolarHBondContact NE2-O 3.12Å; Q86-L89 VanDerWaalsContact NE2-CB 3.31Å |
| 87 | L | 88.4 | Confident | 89.2 | Confident | 96 Ų | 96 | 50.8 Ų | 50.8 | 50% | 0.503 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | -43.1 | 176.9 | -66.8 | 175.9 | 0 | 0 | 0 | 111.5 | N66 L78 D80 K85 | N66-L87 WeakPolarHBondContact OD1-CD1 3.39Å; L78-L87 HydrophobicContact CD2-CB 4.35Å; L78-L87 HydrophobicContact CD2-CD1 4.37Å; L78-L87 PolarHBondContact O-N 3.3Å; D80-L87 HydrophobicContact CB-CD1 3.94Å; D80-L87 HydrophobicContact CB-CD2 4.05Å; D80-L87 HydrophobicContact CB-CG 3.9Å; K85-L87 PolarHBondContact O-N 3.19Å |
| 88 | A | 87.1 | Confident | 89.1 | Confident | 17 Ų | 17 | 50 Ų | 50 | 14% | 0.14 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 153.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L78 Q86 M133 | L78-A88 HydrophobicContact CB-CB 4.04Å; L78-A88 PolarHBondContact N-O 2.98Å; L78-A88 PolarHBondContact O-N 3.25Å; Q86-A88 WeakPolarHBondContact CG-O 3.16Å; Q86-A88 PolarHBondContact NE2-O 3.12Å; A88-M133 HydrophobicContact CB-CE 3.42Å; A88-M133 VanDerWaalsContact CB-CE 3.42Å |
| 89 | L | 89.8 | Confident | 89.1 | Confident | 72 Ų | 72 | 49.8 Ų | 49.8 | 38% | 0.377 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 112.6 | 173.9 | -176.6 | 59.5 | 0 | 0 | 0 | 109.2 | R77 Q86 | R77-L89 HydrophobicContact CG-CD1 3.67Å; Q86-L89 VanDerWaalsContact NE2-CB 3.31Å |
| 90 | L | 87.7 | Confident | 89 | Confident | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 109.7 | 173 | -61.6 | 172.5 | 0 | 0 | 0 | 108.3 | S75 C76 I108 F110 F125 M133 | S75-L90 CarbonylContact C-O 3.54Å; S75-L90 WeakPolarHBondContact CA-O 3.32Å; C76-L90 HydrophobicContact CB-CB 4.11Å; C76-L90 HydrophobicContact CB-CD1 4.49Å; C76-L90 PolarHBondContact N-O 2.87Å; C76-L90 WeakPolarHBondContact O-CB 3.31Å; C76-L90 PolarHBondContact O-N 3.28Å; L90-I108 HydrophobicContact CD1-CD1 3.92Å; L90-F110 HydrophobicContact CD1-CE1 4.18Å; L90-F125 HydrophobicContact CD1-CD1 4.31Å; L90-F125 HydrophobicContact CD1-CE1 4.45Å; L90-F125 HydrophobicContact CD1-CG 4.36Å; L90-F125 HydrophobicContact CD2-CD1 4.09Å; L90-F125 HydrophobicContact CD2-CE1 3.8Å; L90-F125 HydrophobicContact CD2-CZ 4.4Å; L90-M133 HydrophobicContact CD1-CE 3.87Å; L90-M133 HydrophobicContact CD1-SD 4.08Å; L90-M133 HydrophobicContact CD2-CE 3.96Å; L90-M133 HydrophobicContact CD2-SD 3.83Å; L90-M133 HydrophobicContact CG-CE 3.96Å; L90-M133 HydrophobicContact CG-SD 4.34Å |
| 91 | N | 86.8 | Confident | 89 | Confident | 93 Ų | 93 | 48.8 Ų | 48.8 | 50% | 0.497 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 117.3 | -179.8 | -70.4 | -39.7 | 0 | 0 | 0 | 109.7 | N136 | N91-N136 PolarHBondContact N-OD1 2.96Å; N91-N136 PolarHBondContact O-ND2 2.9Å |
| 92 | T | 83.4 | Confident | 89 | Confident | 18 Ų | 18 | 48.7 Ų | 48.7 | 11% | 0.11 | 25% | 0.254 | C | S | . | . | trans | -100.5 | 157.3 | 177.5 | 56.4 | 0 | 0 | 0 | 0 | 110.1 | N74 S94 V96 F110 | N74-T92 VanDerWaalsContact CB-O 3.31Å; N74-T92 WeakPolarHBondContact CB-O 3.48Å; N74-T92 PolarHBondContact O-N 2.83Å; N74-T92 VanDerWaalsContact O-O 3.09Å; N74-T92 PolarHBondContact O-OG1 2.92Å; T92-S94 VanDerWaalsContact C-N 3.28Å; T92-S94 WeakPolarHBondContact CB-O 3.46Å; T92-S94 PolarHBondContact OG1-O 2.93Å; T92-V96 HydrophobicContact CG2-CG2 4.21Å; T92-F110 HydrophobicContact CG2-CD2 4.39Å; T92-F110 HydrophobicContact CG2-CE2 3.43Å; T92-F110 VanDerWaalsContact CG2-CE2 3.43Å; T92-F110 HydrophobicContact CG2-CZ 3.69Å | ||
| 93 | N | 82.9 | Confident | 88.7 | Confident | 115 Ų | 115 | 45 Ų | 45 | 62% | 0.615 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -82.7 | -9.6 | 175.2 | -69.4 | -30.7 | 0 | 0 | 0 | 112.9 | Y118 | N93-Y118 HydrophobicContact CB-CD1 3.88Å; N93-Y118 HydrophobicContact CB-CE1 3.58Å; N93-Y118 HydrophobicContact CB-CE2 4.42Å; N93-Y118 HydrophobicContact CB-CG 4.43Å |
| 94 | S | 87.9 | Confident | 88.5 | Confident | 3 Ų | 3 | 44.6 Ų | 44.6 | 2% | 0.021 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -142.2 | 163.3 | -179 | -175.1 | 0 | 0 | 0 | 0 | 109.8 | N74 T92 D113 | N74-S94 VanDerWaalsContact OD1-C 3.24Å; T92-S94 VanDerWaalsContact C-N 3.28Å; T92-S94 WeakPolarHBondContact CB-O 3.46Å; T92-S94 PolarHBondContact OG1-O 2.93Å; S94-D113 PolarHBondContact OG-O 2.88Å |
| 95 | A | 89.4 | Confident | 88.2 | Confident | 5 Ų | 5 | 43.7 Ų | 43.7 | 4% | 0.041 | 23% | 0.227 | C | C | . | . | trans | -63.9 | 144.4 | -179 | 0 | 0 | 0 | 0 | 0 | 111.3 | N74 T112 D113 | N74-A95 WeakPolarHBondContact OD1-CA 3.13Å; N74-A95 PolarHBondContact OD1-N 3.17Å; A95-T112 CarbonylContact O-C 3.53Å; A95-T112 WeakPolarHBondContact O-CA 3.49Å; A95-D113 HydrophobicContact CB-CB 4.42Å; A95-D113 PolarHBondContact O-N 2.86Å | ||
| 96 | V | 91.6 | Very high | 88 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 125.4 | 176 | -177.8 | 0 | 0 | 0 | 0 | 109.1 | S71 C76 T92 F110 S111 | S71-V96 PolarHBondContact O-N 3.43Å; S71-V96 VanDerWaalsContact O-N 3.13Å; C76-V96 HydrophobicContact CB-CG2 4.17Å; T92-V96 HydrophobicContact CG2-CG2 4.21Å; V96-F110 HydrophobicContact CG1-CB 3.82Å; V96-F110 HydrophobicContact CG1-CD2 4.27Å; V96-F110 HydrophobicContact CG1-CG 4.36Å; V96-F110 HydrophobicContact CG2-CD2 4.16Å; V96-S111 WeakPolarHBondContact CA-O 3.45Å |
| 97 | R | 90.9 | Very high | 88 | Confident | 76 Ų | 76 | 38.1 Ų | 38.1 | 29% | 0.287 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | -40.8 | -178.8 | -69.3 | -61.5 | -59.6 | 175.4 | 0.8 | 112.4 | S111 D113 | R97-S111 PolarHBondContact N-O 3.1Å; R97-D113 HydrophobicContact CG-CB 3.63Å |
| 98 | T | 91 | Very high | 88.1 | Confident | 10 Ų | 10 | 33.5 Ų | 33.5 | 6% | 0.061 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 147.1 | -176.5 | 78.2 | 0 | 0 | 0 | 0 | 108.7 | C57 F110 S111 T150 | C57-T98 VanDerWaalsContact SG-C 3.56Å; T98-F110 CarbonylContact O-C 3.58Å; T98-F110 WeakPolarHBondContact O-CA 3.04Å; T98-F110 VanDerWaalsContact O-CB 3.31Å; T98-F110 WeakPolarHBondContact O-CB 3.35Å; T98-S111 WeakPolarHBondContact CB-OG 3.33Å; T98-S111 WeakPolarHBondContact CG2-OG 3.34Å; T98-S111 PolarHBondContact N-OG 3.38Å; T98-S111 VanDerWaalsContact N-OG 3.15Å; T98-S111 PolarHBondContact O-N 3.29Å; T98-S111 WeakPolarHBondContact OG1-CB 3.47Å; T98-S111 PolarHBondContact OG1-OG 2.89Å; T98-T150 WeakPolarHBondContact CG2-O 3.35Å |
| 99 | C | 92.6 | Very high | 88.4 | Confident | 9 Ų | 9 | 32.7 Ų | 32.7 | 6% | 0.061 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 155.1 | 170.3 | 60.7 | 0 | 0 | 0 | 0 | 109.2 | L68 M109 F110 | L68-C99 HydrophobicContact CD2-CB 3.78Å; L68-C99 HydrophobicContact CG-CB 4.12Å; C99-M109 CarbonylContact C-O 3.59Å; C99-M109 VanDerWaalsContact CA-O 3.26Å; C99-M109 WeakPolarHBondContact CA-O 3.37Å; C99-F110 HydrophobicContact CB-CB 4.31Å |
| 100 | G | 91.8 | Very high | 88.5 | Confident | 5 Ų | 5 | 29.3 Ų | 29.3 | 5% | 0.052 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.4 | 135.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | D59 M109 W154 | D59-G100 WeakPolarHBondContact OD2-CA 3.41Å; G100-M109 PolarHBondContact N-O 2.82Å; G100-M109 PolarHBondContact O-N 2.9Å; G100-W154 PolarHBondContact O-NE1 2.87Å |
| 101 | F | 91.7 | Very high | 88.6 | Confident | 9 Ų | 9 | 29.3 Ų | 29.3 | 4% | 0.039 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 140.3 | 168.2 | -77.5 | -92.5 | 0 | 0 | 0 | 111.3 | D59 C60 D61 N66 L68 L78 I108 L127 W154 | D59-F101 HydrophobicContact CB-CD2 4.11Å; D59-F101 PolarHBondContact OD2-N 2.96Å; C60-F101 VanDerWaalsContact C-CD2 3.48Å; D61-F101 HydrophobicContact CB-CD1 4.01Å; D61-F101 HydrophobicContact CB-CE1 3.92Å; D61-F101 HydrophobicContact CB-CE2 4.49Å; D61-F101 HydrophobicContact CB-CG 4.35Å; D61-F101 HydrophobicContact CB-CZ 4.18Å; N66-F101 HydrophobicContact CB-CE1 4.26Å; N66-F101 HydrophobicContact CB-CZ 4.04Å; L68-F101 HydrophobicContact CB-CD2 4.23Å; L68-F101 HydrophobicContact CB-CE2 3.31Å; L68-F101 HydrophobicContact CB-CZ 3.69Å; L68-F101 HydrophobicContact CD2-CE2 4.46Å; L78-F101 HydrophobicContact CD1-CE1 4.34Å; L78-F101 HydrophobicContact CD1-CZ 3.82Å; F101-I108 HydrophobicContact CD1-CG2 3.53Å; F101-I108 HydrophobicContact CE1-CG2 3.45Å; F101-I108 VanDerWaalsContact CE1-CG2 3.45Å; F101-I108 HydrophobicContact CG-CG2 4.19Å; F101-I108 HydrophobicContact CZ-CG2 4.05Å; F101-L127 HydrophobicContact CD1-CD1 4.42Å; F101-L127 HydrophobicContact CE1-CD1 3.76Å; F101-W154 VanDerWaalsContact C-CD1 3.43Å; F101-W154 VanDerWaalsContact C-NE1 3.35Å; F101-W154 PolarHBondContact O-NE1 2.77Å |
| 102 | D | 90 | Very high | 88.8 | Confident | 8 Ų | 8 | 25.2 Ų | 25.2 | 4% | 0.043 | 14% | 0.135 | C | C | . | . | trans | -63.1 | 159 | 166.7 | 177.7 | 45.5 | 0 | 0 | 0 | 111.3 | S104 G105 I107 W154 G158 | D102-S104 PolarHBondContact O-N 2.89Å; D102-S104 VanDerWaalsContact O-N 3.16Å; D102-S104 VanDerWaalsContact OD2-CB 3.24Å; D102-S104 WeakPolarHBondContact OD2-CB 3.21Å; D102-S104 PolarHBondContact OD2-N 2.85Å; D102-S104 PolarHBondContact OD2-OG 3.09Å; D102-G105 PolarHBondContact O-N 3.46Å; D102-I107 HydrophobicContact CB-CB 3.89Å; D102-I107 VanDerWaalsContact CB-O 3.29Å; D102-I107 WeakPolarHBondContact CB-O 3.19Å; D102-I107 PolarHBondContact N-O 2.84Å; D102-W154 HydrophobicContact CB-CD2 4.44Å; D102-W154 HydrophobicContact CB-CH2 4.38Å; D102-W154 HydrophobicContact CB-CZ2 4.14Å; D102-G158 WeakPolarHBondContact OD1-CA 3.39Å | ||
| 103 | F | 82.9 | Confident | 88.9 | Confident | 90 Ų | 90 | 25.7 Ų | 25.7 | 40% | 0.395 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | -35 | 172.9 | -171.3 | -87.3 | 0 | 0 | 0 | 112.9 | W62 G105 L200 | W62-F103 AromaticContact CE2-CD2 3.82Å; W62-F103 AromaticContact CH2-CD2 3.4Å; W62-F103 HydrophobicContact CH2-CD2 3.4Å; W62-F103 VanDerWaalsContact CH2-CD2 3.4Å; W62-F103 AromaticContact CH2-CE2 3.06Å; W62-F103 HydrophobicContact CH2-CE2 3.06Å; W62-F103 HydrophobicContact CH2-CG 4.45Å; W62-F103 AromaticContact CH2-CZ 3.9Å; W62-F103 HydrophobicContact CH2-CZ 3.9Å; W62-F103 AromaticContact CZ2-CD2 3.16Å; W62-F103 HydrophobicContact CZ2-CD2 3.16Å; W62-F103 AromaticContact CZ2-CE2 3.43Å; W62-F103 HydrophobicContact CZ2-CE2 3.43Å; W62-F103 VanDerWaalsContact CZ2-CE2 3.43Å; W62-F103 HydrophobicContact CZ2-CG 4.03Å; W62-F103 HydrophobicContact CZ2-CZ 4.42Å; W62-F103 HydrophobicContact CZ3-CD2 4.29Å; W62-F103 AromaticContact CZ3-CE2 3.74Å; W62-F103 HydrophobicContact CZ3-CE2 3.74Å; W62-F103 HydrophobicContact CZ3-CZ 4.12Å; F103-G105 VanDerWaalsContact C-N 3.31Å; F103-L200 HydrophobicContact CD2-CD1 4Å |
| 104 | S | 82.9 | Confident | 88.8 | Confident | 70 Ų | 70 | 25.6 Ų | 25.6 | 49% | 0.49 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -7.7 | -179.1 | -41.8 | 0 | 0 | 0 | 0 | 113.6 | D102 N106 | D102-S104 PolarHBondContact O-N 2.89Å; D102-S104 VanDerWaalsContact O-N 3.16Å; D102-S104 VanDerWaalsContact OD2-CB 3.24Å; D102-S104 WeakPolarHBondContact OD2-CB 3.21Å; D102-S104 PolarHBondContact OD2-N 2.85Å; D102-S104 PolarHBondContact OD2-OG 3.09Å; S104-N106 PolarHBondContact O-N 2.95Å; S104-N106 PolarHBondContact O-ND2 3.31Å |
| 105 | G | 82.7 | Confident | 88.2 | Confident | 7 Ų | 7 | 29.2 Ų | 29.2 | 7% | 0.072 | 15% | 0.148 | C | C | . | . | S | Bend | trans | 70.4 | -7.2 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | D61 D102 F103 | D61-G105 WeakPolarHBondContact OD1-CA 3.26Å; D102-G105 PolarHBondContact O-N 3.46Å; F103-G105 VanDerWaalsContact C-N 3.31Å |
| 106 | N | 86.6 | Confident | 87.2 | Confident | 62 Ų | 62 | 38.5 Ų | 38.5 | 33% | 0.332 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -84.7 | -29.1 | -175.4 | -64.5 | -54 | 0 | 0 | 0 | 113.2 | S104 L127 R128 | S104-N106 PolarHBondContact O-N 2.95Å; S104-N106 PolarHBondContact O-ND2 3.31Å; N106-L127 WeakPolarHBondContact O-CB 3.39Å; N106-L127 PolarHBondContact O-N 3.19Å; N106-R128 HydrophobicContact CB-CG 4.12Å |
| 107 | I | 89.8 | Confident | 86.1 | Confident | 34 Ų | 34 | 42.4 Ų | 42.4 | 17% | 0.174 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 134.8 | -176.8 | -61.9 | 171.7 | 0 | 0 | 0 | 108 | D102 F124 F125 Y139 W154 | D102-I107 HydrophobicContact CB-CB 3.89Å; D102-I107 VanDerWaalsContact CB-O 3.29Å; D102-I107 WeakPolarHBondContact CB-O 3.19Å; D102-I107 PolarHBondContact N-O 2.84Å; I107-F124 HydrophobicContact CG2-CB 4.49Å; I107-F124 HydrophobicContact CG2-CD1 4.36Å; I107-F125 WeakPolarHBondContact CA-O 3.31Å; I107-Y139 HydrophobicContact CG2-CE1 3.96Å; I107-W154 HydrophobicContact CG2-CH2 3.78Å; I107-W154 HydrophobicContact CG2-CZ2 3.86Å |
| 108 | I | 91.1 | Very high | 85.5 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 146.8 | 168.6 | 62.9 | 170.4 | 0 | 0 | 0 | 109.5 | L68 L90 F101 F124 F125 L127 | L68-I108 HydrophobicContact CD1-CD1 3.87Å; L68-I108 HydrophobicContact CD2-CB 3.76Å; L68-I108 HydrophobicContact CD2-CD1 3.95Å; L68-I108 HydrophobicContact CD2-CG1 4.4Å; L68-I108 HydrophobicContact CD2-CG2 3.94Å; L90-I108 HydrophobicContact CD1-CD1 3.92Å; F101-I108 HydrophobicContact CD1-CG2 3.53Å; F101-I108 HydrophobicContact CE1-CG2 3.45Å; F101-I108 VanDerWaalsContact CE1-CG2 3.45Å; F101-I108 HydrophobicContact CG-CG2 4.19Å; F101-I108 HydrophobicContact CZ-CG2 4.05Å; I108-F124 WeakPolarHBondContact O-CA 3.38Å; I108-F125 HydrophobicContact CD1-CB 4.05Å; I108-F125 HydrophobicContact CG1-CB 3.64Å; I108-F125 PolarHBondContact N-O 2.79Å; I108-F125 PolarHBondContact O-N 2.58Å; I108-L127 HydrophobicContact CD1-CD2 4.05Å; I108-L127 HydrophobicContact CG1-CD2 4.28Å; I108-L127 HydrophobicContact CG2-CD1 3.73Å; I108-L127 HydrophobicContact CG2-CD2 4.19Å; I108-L127 HydrophobicContact CG2-CG 3.99Å |
| 109 | M | 91.9 | Very high | 85.1 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 140.7 | 171.6 | 173.4 | -168.4 | 68.7 | 0 | 0 | 108.7 | C99 G100 L122 N123 F124 A152 W154 V161 | C99-M109 CarbonylContact C-O 3.59Å; C99-M109 VanDerWaalsContact CA-O 3.26Å; C99-M109 WeakPolarHBondContact CA-O 3.37Å; G100-M109 PolarHBondContact N-O 2.82Å; G100-M109 PolarHBondContact O-N 2.9Å; M109-L122 HydrophobicContact CG-CD1 3.62Å; M109-L122 HydrophobicContact CG-CG 3.99Å; M109-L122 HydrophobicContact SD-CD1 3.62Å; M109-L122 HydrophobicContact SD-CD2 3.99Å; M109-L122 HydrophobicContact SD-CG 4.03Å; M109-N123 WeakPolarHBondContact CA-O 2.86Å; M109-F124 HydrophobicContact CB-CD1 3.9Å; M109-F124 HydrophobicContact CB-CE1 3.91Å; M109-F124 HydrophobicContact CG-CD1 4.15Å; M109-F124 HydrophobicContact CG-CE1 3.82Å; M109-F124 HydrophobicContact CG-CZ 4.32Å; M109-F124 HydrophobicContact SD-CE1 4Å; M109-F124 HydrophobicContact SD-CZ 4.31Å; M109-A152 HydrophobicContact CE-CB 3.73Å; M109-A152 HydrophobicContact SD-CB 4.31Å; M109-W154 HydrophobicContact CB-CZ2 3.52Å; M109-V161 HydrophobicContact CE-CG1 3.92Å; M109-V161 HydrophobicContact CE-CG2 4.48Å; M109-V161 HydrophobicContact SD-CB 3.96Å; M109-V161 HydrophobicContact SD-CG1 3.29Å; M109-V161 WeakPolarHBondContact SD-CG1 3.39Å; M109-V161 HydrophobicContact SD-CG2 3.43Å; M109-V161 WeakPolarHBondContact SD-CG2 3.35Å |
| 110 | F | 91.9 | Very high | 84.6 | Confident | 1 Ų | 1 | 48.5 Ų | 48.5 | 0% | 0.004 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 148.8 | 161.7 | 64.7 | -96.7 | 0 | 0 | 0 | 111.8 | C76 L90 T92 V96 T98 C99 T112 N123 F125 | C76-F110 HydrophobicContact CB-CD1 4.45Å; L90-F110 HydrophobicContact CD1-CE1 4.18Å; T92-F110 HydrophobicContact CG2-CD2 4.39Å; T92-F110 HydrophobicContact CG2-CE2 3.43Å; T92-F110 VanDerWaalsContact CG2-CE2 3.43Å; T92-F110 HydrophobicContact CG2-CZ 3.69Å; V96-F110 HydrophobicContact CG1-CB 3.82Å; V96-F110 HydrophobicContact CG1-CD2 4.27Å; V96-F110 HydrophobicContact CG1-CG 4.36Å; V96-F110 HydrophobicContact CG2-CD2 4.16Å; T98-F110 CarbonylContact O-C 3.58Å; T98-F110 WeakPolarHBondContact O-CA 3.04Å; T98-F110 VanDerWaalsContact O-CB 3.31Å; T98-F110 WeakPolarHBondContact O-CB 3.35Å; C99-F110 HydrophobicContact CB-CB 4.31Å; F110-T112 HydrophobicContact CD2-CG2 4.27Å; F110-T112 HydrophobicContact CE2-CG2 4.03Å; F110-N123 HydrophobicContact CD2-CB 4.33Å; F110-N123 HydrophobicContact CE1-CB 4.27Å; F110-N123 HydrophobicContact CE2-CB 3.88Å; F110-N123 WeakPolarHBondContact CE2-ND2 3.4Å; F110-N123 HydrophobicContact CZ-CB 3.87Å; F110-N123 PolarHBondContact N-O 2.88Å; F110-N123 PolarHBondContact O-N 2.88Å; F110-F125 HydrophobicContact CD1-CD2 4.21Å; F110-F125 HydrophobicContact CD1-CE2 4.34Å; F110-F125 AromaticContact CE1-CD2 3.37Å; F110-F125 HydrophobicContact CE1-CD2 3.37Å; F110-F125 AromaticContact CE1-CE2 3.17Å; F110-F125 HydrophobicContact CE1-CE2 3.17Å; F110-F125 HydrophobicContact CE1-CG 4.45Å; F110-F125 HydrophobicContact CE1-CZ 4.14Å; F110-F125 HydrophobicContact CZ-CD2 4.02Å; F110-F125 AromaticContact CZ-CE2 3.33Å; F110-F125 HydrophobicContact CZ-CE2 3.33Å; F110-F125 HydrophobicContact CZ-CZ 4.1Å |
| 111 | S | 91.3 | Very high | 84.4 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 138.9 | 175.5 | 65.2 | 0 | 0 | 0 | 0 | 110.9 | V96 R97 T98 F121 | V96-S111 WeakPolarHBondContact CA-O 3.45Å; R97-S111 PolarHBondContact N-O 3.1Å; T98-S111 WeakPolarHBondContact CB-OG 3.33Å; T98-S111 WeakPolarHBondContact CG2-OG 3.34Å; T98-S111 PolarHBondContact N-OG 3.38Å; T98-S111 VanDerWaalsContact N-OG 3.15Å; T98-S111 PolarHBondContact O-N 3.29Å; T98-S111 WeakPolarHBondContact OG1-CB 3.47Å; T98-S111 PolarHBondContact OG1-OG 2.89Å; S111-F121 WeakPolarHBondContact CA-O 3.44Å |
| 112 | T | 89.4 | Confident | 84.2 | Confident | 7 Ų | 7 | 50.9 Ų | 50.9 | 4% | 0.043 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 146.8 | 173.3 | 62 | 0 | 0 | 0 | 0 | 111.1 | A95 F110 C120 F121 | A95-T112 CarbonylContact O-C 3.53Å; A95-T112 WeakPolarHBondContact O-CA 3.49Å; F110-T112 HydrophobicContact CD2-CG2 4.27Å; F110-T112 HydrophobicContact CE2-CG2 4.03Å; T112-C120 PolarHBondContact O-SG 2.83Å; T112-F121 PolarHBondContact N-O 2.87Å; T112-F121 PolarHBondContact OG1-N 3.35Å; T112-F121 PolarHBondContact OG1-O 2.86Å |
| 113 | D | 86.2 | Confident | 84.2 | Confident | 28 Ų | 28 | 51.2 Ų | 51.2 | 15% | 0.15 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -75.1 | 154.2 | 176.1 | -154.1 | -4.4 | 0 | 0 | 0 | 111.6 | S94 A95 R97 Q115 | S94-D113 PolarHBondContact OG-O 2.88Å; A95-D113 HydrophobicContact CB-CB 4.42Å; A95-D113 PolarHBondContact O-N 2.86Å; R97-D113 HydrophobicContact CG-CB 3.63Å; D113-Q115 HydrophobicContact CB-CG 4.45Å; D113-Q115 PolarHBondContact O-N 2.84Å |
| 114 | K | 82.2 | Confident | 84.6 | Confident | 114 Ų | 114 | 47 Ų | 47 | 50% | 0.496 | 25% | 0.251 | S | S | . | . | trans | -83.2 | 104.2 | 170.5 | -174.6 | 175.2 | -179.9 | 170.9 | 0 | 108.8 | C120 K148 | K114-C120 HydrophobicContact CB-CB 4.23Å; K114-K148 HydrophobicContact CB-CB 3.98Å | ||
| 115 | Q | 74.8 | Confident | 84.8 | Confident | 79 Ų | 79 | 43.8 Ų | 43.8 | 37% | 0.369 | 23% | 0.229 | S | C | . | . | B | Isolated β-bridge | trans | -112.5 | 164.8 | 175 | -65.3 | -175.3 | -1.8 | 0 | 0 | 110.7 | D113 G117 Y118 | D113-Q115 HydrophobicContact CB-CG 4.45Å; D113-Q115 PolarHBondContact O-N 2.84Å; Q115-G117 PolarHBondContact O-N 2.83Å; Q115-Y118 PolarHBondContact O-N 2.9Å; Q115-Y118 VanDerWaalsContact O-O 3.04Å |
| 116 | M | 67.8 | Low | 85.1 | Confident | 200 Ų | 200 | 44.6 Ų | 44.6 | 99% | 0.985 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | 110.4 | -178.3 | -66.7 | -168.4 | -179.3 | 0 | 0 | 110.8 | ||
| 117 | G | 69.3 | Low | 84.9 | Confident | 82 Ų | 82 | 43.4 Ų | 43.4 | 85% | 0.845 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 99.3 | -14.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | Q115 | Q115-G117 PolarHBondContact O-N 2.83Š|
| 118 | Y | 78.1 | Confident | 84.5 | Confident | 116 Ų | 116 | 49.4 Ų | 49.4 | 46% | 0.455 | 25% | 0.245 | S | C | . | . | B | Isolated β-bridge | trans | -117.2 | 132.4 | 179.2 | -64.9 | -71.3 | 0 | 0 | 0 | 111.7 | N93 Q115 | N93-Y118 HydrophobicContact CB-CD1 3.88Å; N93-Y118 HydrophobicContact CB-CE1 3.58Å; N93-Y118 HydrophobicContact CB-CE2 4.42Å; N93-Y118 HydrophobicContact CB-CG 4.43Å; Q115-Y118 PolarHBondContact O-N 2.9Å; Q115-Y118 VanDerWaalsContact O-O 3.04Å |
| 119 | Q | 81.3 | Confident | 83.9 | Confident | 105 Ų | 105 | 52.1 Ų | 52.1 | 49% | 0.491 | 26% | 0.26 | S | S | . | . | trans | -76.6 | 155.2 | 174 | -63.5 | -175.4 | -3.2 | 0 | 0 | 110.6 | F121 | Q119-F121 HydrophobicContact CB-CD2 4.34Å; Q119-F121 HydrophobicContact CB-CE2 3.64Å; Q119-F121 HydrophobicContact CB-CZ 3.81Å; Q119-F121 WeakPolarHBondContact O-CD2 3.26Å; Q119-F121 WeakPolarHBondContact O-CE2 3.18Å | ||
| 120 | C | 83.8 | Confident | 83.1 | Confident | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.007 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 126.7 | 170.5 | 176.4 | 0 | 0 | 0 | 0 | 108.3 | T112 K114 C144 I149 | T112-C120 PolarHBondContact O-SG 2.83Å; K114-C120 HydrophobicContact CB-CB 4.23Å; C120-C144 HydrophobicContact CB-CB 4.39Å; C120-C144 PolarHBondContact O-N 3.3Å; C120-I149 PolarHBondContact SG-N 3.31Å |
| 121 | F | 86.1 | Confident | 82.2 | Confident | 64 Ų | 64 | 62.1 Ų | 62.1 | 28% | 0.281 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 141.6 | 176.1 | -64.9 | -84.7 | 0 | 0 | 0 | 109.5 | S111 T112 Q119 V142 P143 | S111-F121 WeakPolarHBondContact CA-O 3.44Å; T112-F121 PolarHBondContact N-O 2.87Å; T112-F121 PolarHBondContact OG1-N 3.35Å; T112-F121 PolarHBondContact OG1-O 2.86Å; Q119-F121 HydrophobicContact CB-CD2 4.34Å; Q119-F121 HydrophobicContact CB-CE2 3.64Å; Q119-F121 HydrophobicContact CB-CZ 3.81Å; Q119-F121 WeakPolarHBondContact O-CD2 3.26Å; Q119-F121 WeakPolarHBondContact O-CE2 3.18Å; F121-V142 WeakPolarHBondContact CA-O 3.47Å; F121-P143 HydrophobicContact CD1-CB 4.04Å; F121-P143 HydrophobicContact CE1-CB 3.76Å |
| 122 | L | 88.7 | Confident | 81.4 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 111.2 | 161.5 | -167.6 | 67.4 | 0 | 0 | 0 | 107.3 | M109 F124 S141 V142 I149 A152 V161 F173 | M109-L122 HydrophobicContact CG-CD1 3.62Å; M109-L122 HydrophobicContact CG-CG 3.99Å; M109-L122 HydrophobicContact SD-CD1 3.62Å; M109-L122 HydrophobicContact SD-CD2 3.99Å; M109-L122 HydrophobicContact SD-CG 4.03Å; L122-F124 HydrophobicContact CD2-CE2 3.92Å; L122-F124 HydrophobicContact CD2-CZ 3.62Å; L122-F124 HydrophobicContact CG-CE2 3.98Å; L122-F124 HydrophobicContact CG-CZ 3.98Å; L122-S141 WeakPolarHBondContact O-CA 3.42Å; L122-V142 HydrophobicContact CB-CB 4.22Å; L122-V142 PolarHBondContact N-O 3.17Å; L122-V142 PolarHBondContact O-N 3.48Å; L122-I149 HydrophobicContact CB-CD1 4.19Å; L122-I149 HydrophobicContact CD1-CD1 4.25Å; L122-A152 HydrophobicContact CD1-CB 4.48Å; L122-V161 HydrophobicContact CD2-CB 4.37Å; L122-V161 HydrophobicContact CD2-CG1 4.02Å; L122-F173 HydrophobicContact CD2-CD2 4.46Å |
| 123 | N | 90.4 | Very high | 80.6 | Confident | 16 Ų | 16 | 64.5 Ų | 64.5 | 9% | 0.086 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 141.1 | -177 | -61.8 | -52.7 | 0 | 0 | 0 | 110.3 | M109 F110 F125 P138 S141 | M109-N123 WeakPolarHBondContact CA-O 2.86Å; F110-N123 HydrophobicContact CD2-CB 4.33Å; F110-N123 HydrophobicContact CE1-CB 4.27Å; F110-N123 HydrophobicContact CE2-CB 3.88Å; F110-N123 WeakPolarHBondContact CE2-ND2 3.4Å; F110-N123 HydrophobicContact CZ-CB 3.87Å; F110-N123 PolarHBondContact N-O 2.88Å; F110-N123 PolarHBondContact O-N 2.88Å; N123-F125 HydrophobicContact CB-CD2 4.45Å; N123-F125 HydrophobicContact CB-CE2 4.02Å; N123-P138 HydrophobicContact CB-CB 4.21Å; N123-S141 WeakPolarHBondContact OD1-CB 3.46Å; N123-S141 PolarHBondContact OD1-OG 3.21Å |
| 124 | F | 90.1 | Very high | 79.9 | Confident | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 133.4 | 175.2 | -58.5 | -91.1 | 0 | 0 | 0 | 110 | I107 I108 M109 L122 P138 Y139 L140 V142 W154 V161 | I107-F124 HydrophobicContact CG2-CB 4.49Å; I107-F124 HydrophobicContact CG2-CD1 4.36Å; I108-F124 WeakPolarHBondContact O-CA 3.38Å; M109-F124 HydrophobicContact CB-CD1 3.9Å; M109-F124 HydrophobicContact CB-CE1 3.91Å; M109-F124 HydrophobicContact CG-CD1 4.15Å; M109-F124 HydrophobicContact CG-CE1 3.82Å; M109-F124 HydrophobicContact CG-CZ 4.32Å; M109-F124 HydrophobicContact SD-CE1 4Å; M109-F124 HydrophobicContact SD-CZ 4.31Å; L122-F124 HydrophobicContact CD2-CE2 3.92Å; L122-F124 HydrophobicContact CD2-CZ 3.62Å; L122-F124 HydrophobicContact CG-CE2 3.98Å; L122-F124 HydrophobicContact CG-CZ 3.98Å; F124-P138 WeakPolarHBondContact O-CA 3.38Å; F124-P138 VanDerWaalsContact O-CB 3.31Å; F124-P138 WeakPolarHBondContact O-CB 3.46Å; F124-Y139 HydrophobicContact CB-CD1 4.05Å; F124-Y139 HydrophobicContact CB-CE1 3.31Å; F124-Y139 HydrophobicContact CB-CE2 4.2Å; F124-Y139 WeakPolarHBondContact CB-OH 3.44Å; F124-Y139 VanDerWaalsContact O-CD1 3.25Å; F124-Y139 WeakPolarHBondContact O-CD1 3.36Å; F124-Y139 PolarHBondContact O-N 2.63Å; F124-Y139 VanDerWaalsContact O-N 3.08Å; F124-L140 HydrophobicContact CB-CB 4.25Å; F124-L140 HydrophobicContact CD2-CB 4.02Å; F124-L140 HydrophobicContact CD2-CD2 3.81Å; F124-L140 HydrophobicContact CD2-CG 3.96Å; F124-L140 HydrophobicContact CE2-CD2 4.04Å; F124-L140 HydrophobicContact CE2-CG 4.48Å; F124-L140 PolarHBondContact N-O 3.45Å; F124-V142 HydrophobicContact CE2-CG2 4Å; F124-W154 AromaticContact CD1-CH2 3.54Å; F124-W154 HydrophobicContact CD1-CH2 3.54Å; F124-W154 AromaticContact CD1-CZ2 3.82Å; F124-W154 HydrophobicContact CD1-CZ2 3.82Å; F124-W154 AromaticContact CE1-CH2 3.42Å; F124-W154 HydrophobicContact CE1-CH2 3.42Å; F124-W154 VanDerWaalsContact CE1-CH2 3.42Å; F124-W154 AromaticContact CE1-CZ2 3.8Å; F124-W154 HydrophobicContact CE1-CZ2 3.8Å; F124-W154 HydrophobicContact CE1-CZ3 4.07Å; F124-V161 HydrophobicContact CE1-CG2 3.68Å; F124-V161 HydrophobicContact CZ-CG2 3.82Å |
| 125 | F | 88.3 | Confident | 79.5 | Confident | 3 Ų | 3 | 71.4 Ų | 71.4 | 1% | 0.013 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 140.9 | 177 | -75.5 | -106 | 0 | 0 | 0 | 109.5 | L90 I107 I108 F110 N123 M133 P138 | L90-F125 HydrophobicContact CD1-CD1 4.31Å; L90-F125 HydrophobicContact CD1-CE1 4.45Å; L90-F125 HydrophobicContact CD1-CG 4.36Å; L90-F125 HydrophobicContact CD2-CD1 4.09Å; L90-F125 HydrophobicContact CD2-CE1 3.8Å; L90-F125 HydrophobicContact CD2-CZ 4.4Å; I107-F125 WeakPolarHBondContact CA-O 3.31Å; I108-F125 HydrophobicContact CD1-CB 4.05Å; I108-F125 HydrophobicContact CG1-CB 3.64Å; I108-F125 PolarHBondContact N-O 2.79Å; I108-F125 PolarHBondContact O-N 2.58Å; F110-F125 HydrophobicContact CD1-CD2 4.21Å; F110-F125 HydrophobicContact CD1-CE2 4.34Å; F110-F125 AromaticContact CE1-CD2 3.37Å; F110-F125 HydrophobicContact CE1-CD2 3.37Å; F110-F125 AromaticContact CE1-CE2 3.17Å; F110-F125 HydrophobicContact CE1-CE2 3.17Å; F110-F125 HydrophobicContact CE1-CG 4.45Å; F110-F125 HydrophobicContact CE1-CZ 4.14Å; F110-F125 HydrophobicContact CZ-CD2 4.02Å; F110-F125 AromaticContact CZ-CE2 3.33Å; F110-F125 HydrophobicContact CZ-CE2 3.33Å; F110-F125 HydrophobicContact CZ-CZ 4.1Å; N123-F125 HydrophobicContact CB-CD2 4.45Å; N123-F125 HydrophobicContact CB-CE2 4.02Å; F125-M133 HydrophobicContact CD1-SD 4.24Å; F125-P138 HydrophobicContact CD2-CB 3.99Å; F125-P138 HydrophobicContact CE1-CB 4.37Å; F125-P138 HydrophobicContact CE2-CB 3.54Å; F125-P138 HydrophobicContact CE2-CG 4.23Å; F125-P138 HydrophobicContact CZ-CB 3.77Å; F125-P138 HydrophobicContact CZ-CG 4.16Å |
| 126 | D | 87.8 | Confident | 79.7 | Confident | 25 Ų | 25 | 70.1 Ų | 70.1 | 13% | 0.134 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 117.6 | 172.1 | -167.1 | -20.2 | 0 | 0 | 0 | 108.9 | R128 D129 Y139 | D126-R128 PolarHBondContact O-N 3.1Å; D126-R128 VanDerWaalsContact OD1-CB 3.27Å; D126-R128 WeakPolarHBondContact OD1-CB 3.33Å; D126-R128 WeakPolarHBondContact OD1-CG 3.13Å; D126-R128 IonicContact OD1-CZ 3.75Å; D126-R128 PolarHBondContact OD1-N 2.91Å; D126-R128 IonicContact OD1-NE 3.22Å; D126-R128 PolarHBondContact OD1-NE 3.5Å; D126-R128 IonicContact OD1-NH2 3.74Å; D126-R128 IonicContact OD2-CZ 3.36Å; D126-R128 IonicContact OD2-NE 3.44Å; D126-R128 PolarHBondContact OD2-NE 3.28Å; D126-R128 IonicContact OD2-NH2 2.68Å; D126-R128 PolarHBondContact OD2-NH2 2.94Å; D126-D129 PolarHBondContact O-N 2.77Å; D126-Y139 HydrophobicContact CB-CD1 4.25Å |
| 127 | L | 83.1 | Confident | 80.3 | Confident | 37 Ų | 37 | 65.8 Ų | 65.8 | 19% | 0.194 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -16 | 179.3 | -64.3 | -178.1 | 0 | 0 | 0 | 112.8 | L78 F101 N106 I108 D129 M133 | L78-L127 HydrophobicContact CD2-CD2 3.94Å; F101-L127 HydrophobicContact CD1-CD1 4.42Å; F101-L127 HydrophobicContact CE1-CD1 3.76Å; N106-L127 WeakPolarHBondContact O-CB 3.39Å; N106-L127 PolarHBondContact O-N 3.19Å; I108-L127 HydrophobicContact CD1-CD2 4.05Å; I108-L127 HydrophobicContact CG1-CD2 4.28Å; I108-L127 HydrophobicContact CG2-CD1 3.73Å; I108-L127 HydrophobicContact CG2-CD2 4.19Å; I108-L127 HydrophobicContact CG2-CG 3.99Å; L127-D129 VanDerWaalsContact C-N 3.29Å; L127-M133 HydrophobicContact CD2-CE 3.89Å; L127-M133 HydrophobicContact CD2-SD 3.94Å |
| 128 | R | 81.3 | Confident | 80.9 | Confident | 160 Ų | 160 | 63.1 Ų | 63.1 | 60% | 0.604 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -16.3 | 179.3 | -59 | 172.8 | -64.5 | 178.7 | 3.6 | 113 | N106 D126 P130 | N106-R128 HydrophobicContact CB-CG 4.12Å; D126-R128 PolarHBondContact O-N 3.1Å; D126-R128 VanDerWaalsContact OD1-CB 3.27Å; D126-R128 WeakPolarHBondContact OD1-CB 3.33Å; D126-R128 WeakPolarHBondContact OD1-CG 3.13Å; D126-R128 IonicContact OD1-CZ 3.75Å; D126-R128 PolarHBondContact OD1-N 2.91Å; D126-R128 IonicContact OD1-NE 3.22Å; D126-R128 PolarHBondContact OD1-NE 3.5Å; D126-R128 IonicContact OD1-NH2 3.74Å; D126-R128 IonicContact OD2-CZ 3.36Å; D126-R128 IonicContact OD2-NE 3.44Å; D126-R128 PolarHBondContact OD2-NE 3.28Å; D126-R128 IonicContact OD2-NH2 2.68Å; D126-R128 PolarHBondContact OD2-NH2 2.94Å; R128-P130 WeakPolarHBondContact O-CD 3.22Å |
| 129 | D | 79.1 | Confident | 81.2 | Confident | 57 Ų | 57 | 61.9 Ų | 61.9 | 31% | 0.305 | 30% | 0.301 | S | S | . | . | trans | -106.6 | 96.7 | 178.7 | -170.6 | -3.2 | 0 | 0 | 0 | 109.8 | D126 L127 Q131 Q132 | D126-D129 PolarHBondContact O-N 2.77Å; L127-D129 VanDerWaalsContact C-N 3.29Å; D129-Q131 PolarHBondContact O-N 2.89Å; D129-Q131 VanDerWaalsContact O-N 3.14Å; D129-Q131 WeakPolarHBondContact OD1-CB 3.36Å; D129-Q131 PolarHBondContact OD1-N 2.67Å; D129-Q132 HydrophobicContact CB-CB 4.48Å; D129-Q132 HydrophobicContact CB-CG 4.01Å; D129-Q132 PolarHBondContact O-N 2.9Å; D129-Q132 VanDerWaalsContact O-N 3.11Å; D129-Q132 PolarHBondContact OD2-NE2 2.8Å | ||
| 130 | P | 73.4 | Confident | 81.5 | Confident | 81 Ų | 81 | 58.4 Ų | 58.4 | 53% | 0.526 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60 | -26.6 | -179 | -21.6 | 33.5 | 0 | 0 | 0 | 112.7 | R128 Q132 M133 E134 | R128-P130 WeakPolarHBondContact O-CD 3.22Å; P130-Q132 VanDerWaalsContact C-N 3.3Å; P130-Q132 PolarHBondContact O-N 3.45Å; P130-M133 PolarHBondContact O-N 2.98Å; P130-E134 PolarHBondContact O-N 2.98Å |
| 131 | Q | 74.6 | Confident | 81.6 | Confident | 130 Ų | 130 | 60.7 Ų | 60.7 | 61% | 0.607 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -64.9 | -36.1 | 179.1 | -65.1 | -175.3 | -9.7 | 0 | 0 | 111.3 | D129 M133 E134 D135 | D129-Q131 PolarHBondContact O-N 2.89Å; D129-Q131 VanDerWaalsContact O-N 3.14Å; D129-Q131 WeakPolarHBondContact OD1-CB 3.36Å; D129-Q131 PolarHBondContact OD1-N 2.67Å; Q131-M133 VanDerWaalsContact C-N 3.26Å; Q131-M133 PolarHBondContact O-N 2.79Å; Q131-E134 PolarHBondContact O-N 3.15Å; Q131-D135 VanDerWaalsContact O-CB 3.27Å; Q131-D135 WeakPolarHBondContact O-CB 3.44Å; Q131-D135 PolarHBondContact O-N 2.9Å |
| 132 | Q | 74.4 | Confident | 81.7 | Confident | 33 Ų | 33 | 58.1 Ų | 58.1 | 15% | 0.154 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64 | -34.6 | 176.3 | -68.7 | -178.4 | 7 | 0 | 0 | 112.3 | D129 P130 N136 N137 | D129-Q132 HydrophobicContact CB-CB 4.48Å; D129-Q132 HydrophobicContact CB-CG 4.01Å; D129-Q132 PolarHBondContact O-N 2.9Å; D129-Q132 VanDerWaalsContact O-N 3.11Å; D129-Q132 PolarHBondContact OD2-NE2 2.8Å; P130-Q132 VanDerWaalsContact C-N 3.3Å; P130-Q132 PolarHBondContact O-N 3.45Å; Q132-N136 VanDerWaalsContact O-CA 3.23Å; Q132-N136 WeakPolarHBondContact O-CA 3.46Å; Q132-N136 PolarHBondContact O-N 2.65Å; Q132-N137 PolarHBondContact O-N 3Å; Q132-N137 VanDerWaalsContact O-N 3.12Å |
| 133 | M | 71.8 | Confident | 81.4 | Confident | 23 Ų | 23 | 61.8 Ų | 61.8 | 11% | 0.113 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -77.1 | -37.2 | 179.2 | -59.7 | -65.9 | -72.7 | 0 | 0 | 111.7 | L78 A88 L90 F125 L127 P130 Q131 | L78-M133 HydrophobicContact CD2-CE 4.34Å; A88-M133 HydrophobicContact CB-CE 3.42Å; A88-M133 VanDerWaalsContact CB-CE 3.42Å; L90-M133 HydrophobicContact CD1-CE 3.87Å; L90-M133 HydrophobicContact CD1-SD 4.08Å; L90-M133 HydrophobicContact CD2-CE 3.96Å; L90-M133 HydrophobicContact CD2-SD 3.83Å; L90-M133 HydrophobicContact CG-CE 3.96Å; L90-M133 HydrophobicContact CG-SD 4.34Å; F125-M133 HydrophobicContact CD1-SD 4.24Å; L127-M133 HydrophobicContact CD2-CE 3.89Å; L127-M133 HydrophobicContact CD2-SD 3.94Å; P130-M133 PolarHBondContact O-N 2.98Å; Q131-M133 VanDerWaalsContact C-N 3.26Å; Q131-M133 PolarHBondContact O-N 2.79Å |
| 134 | E | 71 | Confident | 80.9 | Confident | 163 Ų | 163 | 61.4 Ų | 61.4 | 76% | 0.762 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -72.7 | -45.3 | 176.8 | -72.6 | -176.3 | 179.5 | 0 | 0 | 112.2 | P130 Q131 N136 | P130-E134 PolarHBondContact O-N 2.98Å; Q131-E134 PolarHBondContact O-N 3.15Å; E134-N136 VanDerWaalsContact C-N 3.27Å; E134-N136 PolarHBondContact O-N 3.18Å |
| 135 | D | 74.2 | Confident | 79.6 | Confident | 124 Ų | 124 | 65.1 Ų | 65.1 | 66% | 0.663 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -7.3 | 179.5 | -67.8 | -29.2 | 0 | 0 | 0 | 112.7 | Q131 N137 | Q131-D135 VanDerWaalsContact O-CB 3.27Å; Q131-D135 WeakPolarHBondContact O-CB 3.44Å; Q131-D135 PolarHBondContact O-N 2.9Å; D135-N137 PolarHBondContact O-N 3.26Å |
| 136 | N | 78.7 | Confident | 78.7 | Confident | 53 Ų | 53 | 71.8 Ų | 71.8 | 28% | 0.283 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.2 | 42.1 | -179.5 | -178 | 56 | 0 | 0 | 0 | 112.3 | N91 Q132 E134 | N91-N136 PolarHBondContact N-OD1 2.96Å; N91-N136 PolarHBondContact O-ND2 2.9Å; Q132-N136 VanDerWaalsContact O-CA 3.23Å; Q132-N136 WeakPolarHBondContact O-CA 3.46Å; Q132-N136 PolarHBondContact O-N 2.65Å; E134-N136 VanDerWaalsContact C-N 3.27Å; E134-N136 PolarHBondContact O-N 3.18Å |
| 137 | N | 80.8 | Confident | 78.2 | Confident | 108 Ų | 108 | 72.2 Ų | 72.2 | 58% | 0.578 | 38% | 0.376 | S | S | * | . | trans | -111.7 | 109.6 | -178.2 | -170.2 | 25 | 0 | 0 | 0 | 109.9 | Q132 D135 | Q132-N137 PolarHBondContact O-N 3Å; Q132-N137 VanDerWaalsContact O-N 3.12Å; D135-N137 PolarHBondContact O-N 3.26Å | ||
| 138 | P | 82.9 | Confident | 78.4 | Confident | 27 Ų | 27 | 72.8 Ų | 72.8 | 18% | 0.175 | 38% | 0.376 | C | S | . | . | trans | -64 | 145 | 176.7 | 24.5 | -30.7 | 0 | 0 | 0 | 110.7 | N123 F124 F125 L140 S141 | N123-P138 HydrophobicContact CB-CB 4.21Å; F124-P138 WeakPolarHBondContact O-CA 3.38Å; F124-P138 VanDerWaalsContact O-CB 3.31Å; F124-P138 WeakPolarHBondContact O-CB 3.46Å; F125-P138 HydrophobicContact CD2-CB 3.99Å; F125-P138 HydrophobicContact CE1-CB 4.37Å; F125-P138 HydrophobicContact CE2-CB 3.54Å; F125-P138 HydrophobicContact CE2-CG 4.23Å; F125-P138 HydrophobicContact CZ-CB 3.77Å; F125-P138 HydrophobicContact CZ-CG 4.16Å; P138-L140 VanDerWaalsContact C-N 3.29Å; P138-S141 WeakPolarHBondContact CG-OG 3.42Å | ||
| 139 | Y | 84.4 | Confident | 78.8 | Confident | 89 Ų | 89 | 65.1 Ų | 65.1 | 35% | 0.349 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -72.8 | -28.3 | 173.8 | 79.8 | -97.5 | 0 | 0 | 0 | 111.8 | I107 F124 D126 | I107-Y139 HydrophobicContact CG2-CE1 3.96Å; F124-Y139 HydrophobicContact CB-CD1 4.05Å; F124-Y139 HydrophobicContact CB-CE1 3.31Å; F124-Y139 HydrophobicContact CB-CE2 4.2Å; F124-Y139 WeakPolarHBondContact CB-OH 3.44Å; F124-Y139 VanDerWaalsContact O-CD1 3.25Å; F124-Y139 WeakPolarHBondContact O-CD1 3.36Å; F124-Y139 PolarHBondContact O-N 2.63Å; F124-Y139 VanDerWaalsContact O-N 3.08Å; D126-Y139 HydrophobicContact CB-CD1 4.25Å |
| 140 | L | 86.4 | Confident | 79.3 | Confident | 32 Ų | 32 | 62.9 Ų | 62.9 | 17% | 0.168 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 130.5 | 176.7 | -179.5 | 67 | 0 | 0 | 0 | 110.2 | F124 P138 V142 A175 | F124-L140 HydrophobicContact CB-CB 4.25Å; F124-L140 HydrophobicContact CD2-CB 4.02Å; F124-L140 HydrophobicContact CD2-CD2 3.81Å; F124-L140 HydrophobicContact CD2-CG 3.96Å; F124-L140 HydrophobicContact CE2-CD2 4.04Å; F124-L140 HydrophobicContact CE2-CG 4.48Å; F124-L140 PolarHBondContact N-O 3.45Å; P138-L140 VanDerWaalsContact C-N 3.29Å; L140-V142 HydrophobicContact CD2-CG2 4.27Å; L140-V142 HydrophobicContact CG-CG2 4.16Å; L140-A175 WeakPolarHBondContact CD2-O 3.04Å |
| 141 | S | 86.5 | Confident | 80.2 | Confident | 50 Ų | 50 | 59.5 Ų | 59.5 | 35% | 0.35 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 117.1 | 173.1 | -70.5 | 0 | 0 | 0 | 0 | 109.6 | L122 N123 P138 P143 | L122-S141 WeakPolarHBondContact O-CA 3.42Å; N123-S141 WeakPolarHBondContact OD1-CB 3.46Å; N123-S141 PolarHBondContact OD1-OG 3.21Å; P138-S141 WeakPolarHBondContact CG-OG 3.42Å; S141-P143 WeakPolarHBondContact O-CD 3.29Å |
| 142 | V | 87.3 | Confident | 81 | Confident | 10 Ų | 10 | 53.8 Ų | 53.8 | 6% | 0.061 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 112.6 | 179.8 | -174.3 | 0 | 0 | 0 | 0 | 109.4 | F121 L122 F124 L140 C144 F173 G178 | F121-V142 WeakPolarHBondContact CA-O 3.47Å; L122-V142 HydrophobicContact CB-CB 4.22Å; L122-V142 PolarHBondContact N-O 3.17Å; L122-V142 PolarHBondContact O-N 3.48Å; F124-V142 HydrophobicContact CE2-CG2 4Å; L140-V142 HydrophobicContact CD2-CG2 4.27Å; L140-V142 HydrophobicContact CG-CG2 4.16Å; V142-C144 PolarHBondContact O-N 2.64Å; V142-F173 HydrophobicContact CG1-CD1 3.89Å; V142-F173 HydrophobicContact CG1-CE1 3.97Å; V142-G178 WeakPolarHBondContact CG1-O 3Å |
| 143 | P | 83.4 | Confident | 81.9 | Confident | 76 Ų | 76 | 53 Ų | 53 | 49% | 0.494 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 119.8 | 176.9 | 27.3 | -31.6 | 0 | 0 | 0 | 110.8 | F121 S141 | F121-P143 HydrophobicContact CD1-CB 4.04Å; F121-P143 HydrophobicContact CE1-CB 3.76Å; S141-P143 WeakPolarHBondContact O-CD 3.29Å |
| 144 | C | 79.1 | Confident | 82.9 | Confident | 9 Ų | 9 | 52.6 Ų | 52.6 | 6% | 0.061 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 79.3 | 172.1 | -70.7 | 0 | 0 | 0 | 0 | 109.3 | C120 V142 I149 | C120-C144 HydrophobicContact CB-CB 4.39Å; C120-C144 PolarHBondContact O-N 3.3Å; V142-C144 PolarHBondContact O-N 2.64Å; C144-I149 HydrophobicContact CB-CD1 4.22Å; C144-I149 HydrophobicContact CB-CG1 4.38Å; C144-I149 VanDerWaalsContact SG-CD1 3.55Å |
| 145 | S | 63.2 | Low | 83.8 | Confident | 77 Ų | 77 | 45 Ų | 45 | 54% | 0.538 | 25% | 0.249 | S | C | . | . | trans | -76.5 | -34.4 | -172.1 | 57.9 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 146 | E | 69.8 | Low | 84.4 | Confident | 144 Ų | 144 | 40.2 Ų | 40.2 | 67% | 0.673 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -69.9 | -51.7 | -173.7 | -62.9 | -167.6 | 161.1 | 0 | 0 | 112.2 | K183 | E146-K183 IonicContact OE2-NZ 3.38Å; E146-K183 PolarHBondContact OE2-NZ 3.38Å |
| 147 | C | 77.8 | Confident | 84.7 | Confident | 34 Ų | 34 | 43.7 Ų | 43.7 | 23% | 0.23 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -145 | 140.8 | -174.9 | -77.5 | 0 | 0 | 0 | 0 | 111.1 | H165 N167 | C147-H165 HydrophobicContact CB-CB 4.19Å; C147-H165 PolarHBondContact O-ND1 2.88Å; C147-N167 VanDerWaalsContact SG-CG 3.57Å; C147-N167 PolarHBondContact SG-ND2 3.43Å |
| 148 | K | 86 | Confident | 84.8 | Confident | 48 Ų | 48 | 39.2 Ų | 39.2 | 21% | 0.209 | 22% | 0.221 | C | C | . | . | trans | -68.3 | 141.6 | 179.6 | 76.6 | -172.3 | -165.9 | -142.7 | 0 | 110.6 | K114 H165 E166 | K114-K148 HydrophobicContact CB-CB 3.98Å; K148-H165 WeakPolarHBondContact O-CA 3.47Å; K148-E166 WeakPolarHBondContact CD-OE2 3.24Å; K148-E166 WeakPolarHBondContact CE-OE1 3.41Å; K148-E166 WeakPolarHBondContact CE-OE2 3.48Å; K148-E166 HydrophobicContact CG-CB 3.88Å; K148-E166 WeakPolarHBondContact CG-OE2 3.26Å; K148-E166 IonicContact NZ-OE1 3.33Å; K148-E166 PolarHBondContact NZ-OE1 3.02Å; K148-E166 IonicContact NZ-OE2 3.33Å; K148-E166 PolarHBondContact NZ-OE2 2.95Å; K148-E166 PolarHBondContact O-N 3.38Å | ||
| 149 | I | 89.3 | Confident | 85 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 132.7 | 171.9 | -64.9 | 171.4 | 0 | 0 | 0 | 108.2 | C120 L122 C144 S151 A152 A163 G164 | C120-I149 PolarHBondContact SG-N 3.31Å; L122-I149 HydrophobicContact CB-CD1 4.19Å; L122-I149 HydrophobicContact CD1-CD1 4.25Å; C144-I149 HydrophobicContact CB-CD1 4.22Å; C144-I149 HydrophobicContact CB-CG1 4.38Å; C144-I149 VanDerWaalsContact SG-CD1 3.55Å; I149-S151 WeakPolarHBondContact CG2-O 3.41Å; I149-A152 HydrophobicContact CG2-CB 4.17Å; I149-A163 HydrophobicContact CD1-CB 3.97Å; I149-A163 HydrophobicContact CG1-CB 4.11Å; I149-A163 HydrophobicContact CG2-CB 4.01Å; I149-G164 WeakPolarHBondContact CA-O 3.31Å |
| 150 | T | 90.6 | Very high | 85.4 | Confident | 10 Ų | 10 | 39.1 Ų | 39.1 | 6% | 0.061 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | -38.8 | 178.5 | 46.9 | 0 | 0 | 0 | 0 | 112.1 | T98 G164 E166 I191 | T98-T150 WeakPolarHBondContact CG2-O 3.35Å; T150-G164 PolarHBondContact N-O 2.55Å; T150-G164 PolarHBondContact OG1-O 3.45Å; T150-G164 VanDerWaalsContact OG1-O 3.11Å; T150-E166 HydrophobicContact CG2-CB 4.17Å; T150-I191 WeakPolarHBondContact CB-O 3.48Å; T150-I191 PolarHBondContact OG1-O 3.4Å |
| 151 | S | 91.6 | Very high | 85.7 | Confident | 10 Ų | 10 | 37.6 Ų | 37.6 | 7% | 0.07 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 147.4 | 175.2 | -170.1 | 0 | 0 | 0 | 0 | 109.9 | I149 A163 G164 I194 | I149-S151 WeakPolarHBondContact CG2-O 3.41Å; S151-A163 WeakPolarHBondContact O-CA 3.12Å; S151-G164 PolarHBondContact O-N 2.66Å; S151-I194 PolarHBondContact OG-N 3.21Å |
| 152 | A | 93 | Very high | 86 | Confident | 9 Ų | 9 | 35.3 Ų | 35.3 | 7% | 0.074 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 141.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | M109 L122 I149 V161 I162 A163 | M109-A152 HydrophobicContact CE-CB 3.73Å; M109-A152 HydrophobicContact SD-CB 4.31Å; L122-A152 HydrophobicContact CD1-CB 4.48Å; I149-A152 HydrophobicContact CG2-CB 4.17Å; A152-V161 HydrophobicContact CB-CG1 4.11Å; A152-I162 CarbonylContact C-O 3.49Å; A152-I162 VanDerWaalsContact CA-O 3.29Å; A152-I162 WeakPolarHBondContact CA-O 3.21Å; A152-A163 HydrophobicContact CB-CB 4.14Å |
| 153 | V | 93.3 | Very high | 86.3 | Confident | 17 Ų | 17 | 34.9 Ų | 34.9 | 10% | 0.103 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 148.6 | -179.9 | 69.4 | 0 | 0 | 0 | 0 | 110.3 | V161 I162 I194 S196 V203 | V153-V161 WeakPolarHBondContact O-CA 3.15Å; V153-V161 WeakPolarHBondContact O-CG1 3.4Å; V153-I162 HydrophobicContact CG1-CB 4.11Å; V153-I162 PolarHBondContact N-O 3.35Å; V153-I162 PolarHBondContact O-N 3.18Å; V153-I194 HydrophobicContact CB-CG2 4.39Å; V153-I194 HydrophobicContact CG1-CG2 3.58Å; V153-S196 WeakPolarHBondContact CG2-OG 3.28Å; V153-V203 HydrophobicContact CG1-CG2 4.11Å |
| 154 | W | 92.6 | Very high | 86.7 | Confident | 15 Ų | 15 | 31.2 Ų | 31.2 | 6% | 0.057 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 137.7 | 172.3 | -71.9 | 100.5 | 0 | 0 | 0 | 111.4 | G100 F101 D102 I107 M109 F124 V161 A175 | G100-W154 PolarHBondContact O-NE1 2.87Å; F101-W154 VanDerWaalsContact C-CD1 3.43Å; F101-W154 VanDerWaalsContact C-NE1 3.35Å; F101-W154 PolarHBondContact O-NE1 2.77Å; D102-W154 HydrophobicContact CB-CD2 4.44Å; D102-W154 HydrophobicContact CB-CH2 4.38Å; D102-W154 HydrophobicContact CB-CZ2 4.14Å; I107-W154 HydrophobicContact CG2-CH2 3.78Å; I107-W154 HydrophobicContact CG2-CZ2 3.86Å; M109-W154 HydrophobicContact CB-CZ2 3.52Å; F124-W154 AromaticContact CD1-CH2 3.54Å; F124-W154 HydrophobicContact CD1-CH2 3.54Å; F124-W154 AromaticContact CD1-CZ2 3.82Å; F124-W154 HydrophobicContact CD1-CZ2 3.82Å; F124-W154 AromaticContact CE1-CH2 3.42Å; F124-W154 HydrophobicContact CE1-CH2 3.42Å; F124-W154 VanDerWaalsContact CE1-CH2 3.42Å; F124-W154 AromaticContact CE1-CZ2 3.8Å; F124-W154 HydrophobicContact CE1-CZ2 3.8Å; F124-W154 HydrophobicContact CE1-CZ3 4.07Å; W154-V161 HydrophobicContact CD2-CG2 3.93Å; W154-V161 HydrophobicContact CE3-CG2 3.59Å; W154-V161 HydrophobicContact CH2-CG2 4.26Å; W154-V161 HydrophobicContact CZ3-CG2 3.78Å; W154-A175 HydrophobicContact CH2-CB 4.25Å; W154-A175 HydrophobicContact CZ3-CB 3.66Å |
| 155 | G | 89 | Confident | 87.4 | Confident | 3 Ų | 3 | 31 Ų | 31 | 3% | 0.031 | 17% | 0.17 | C | C | . | . | trans | -79.6 | -179.8 | 168.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L157 G158 F160 | G155-L157 PolarHBondContact O-N 2.93Å; G155-G158 PolarHBondContact O-N 3.49Å; G155-F160 WeakPolarHBondContact CA-O 3.13Å; G155-F160 PolarHBondContact N-O 3.17Å | ||
| 156 | P | 87.3 | Confident | 88.7 | Confident | 23 Ų | 23 | 31.3 Ų | 31.3 | 15% | 0.149 | 16% | 0.162 | C | C | . | . | G | 310 helix | trans | -48.4 | 136.7 | 173.5 | -27.8 | 34.4 | 0 | 0 | 0 | 113.1 | G158 E159 F160 L200 S217 | P156-G158 PolarHBondContact O-N 2.9Å; P156-E159 PolarHBondContact O-N 2.75Å; P156-F160 VanDerWaalsContact CD-CZ 3.44Å; P156-F160 HydrophobicContact CG-CZ 4.31Å; P156-L200 HydrophobicContact CB-CB 4.41Å; P156-L200 WeakPolarHBondContact CD-O 3.49Å; P156-L200 HydrophobicContact CG-CB 4.01Å; P156-L200 WeakPolarHBondContact CG-O 3.33Å; P156-S217 WeakPolarHBondContact CG-OG 3.41Å |
| 157 | L | 83.9 | Confident | 89.6 | Confident | 127 Ų | 127 | 26.3 Ų | 26.3 | 67% | 0.665 | 14% | 0.14 | S | C | * | . | G | 310 helix | trans | 58.4 | 11.5 | 171.7 | -53 | 173.2 | 0 | 0 | 0 | 115.5 | G155 E159 | G155-L157 PolarHBondContact O-N 2.93Å; L157-E159 HydrophobicContact CB-CG 4.25Å; L157-E159 PolarHBondContact O-N 2.71Å |
| 158 | G | 83.7 | Confident | 90.2 | Very high | 13 Ų | 13 | 24.7 Ų | 24.7 | 13% | 0.134 | 13% | 0.129 | C | C | . | . | G | 310 helix | trans | 73.2 | 11.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | D102 G155 P156 A175 | D102-G158 WeakPolarHBondContact OD1-CA 3.39Å; G155-G158 PolarHBondContact O-N 3.49Å; P156-G158 PolarHBondContact O-N 2.9Å; G158-A175 WeakPolarHBondContact O-CB 3.34Å |
| 159 | E | 87.5 | Confident | 90.5 | Very high | 104 Ų | 104 | 23.3 Ų | 23.3 | 49% | 0.486 | 12% | 0.124 | S | C | . | . | S | Bend | trans | -75.7 | -29.2 | -175.1 | -65.3 | -160.5 | 137.9 | 0 | 0 | 112.8 | P156 L157 A175 | P156-E159 PolarHBondContact O-N 2.75Å; L157-E159 HydrophobicContact CB-CG 4.25Å; L157-E159 PolarHBondContact O-N 2.71Å; E159-A175 WeakPolarHBondContact O-CB 3.36Å; E159-A175 PolarHBondContact O-N 2.86Å |
| 160 | F | 91.3 | Very high | 90.7 | Very high | 11 Ų | 11 | 23.3 Ų | 23.3 | 5% | 0.048 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 164.1 | -179 | 60.7 | -97.6 | 0 | 0 | 0 | 111.9 | G155 P156 I162 Q172 F173 L181 S217 | G155-F160 WeakPolarHBondContact CA-O 3.13Å; G155-F160 PolarHBondContact N-O 3.17Å; P156-F160 VanDerWaalsContact CD-CZ 3.44Å; P156-F160 HydrophobicContact CG-CZ 4.31Å; F160-I162 HydrophobicContact CD2-CG1 4.06Å; F160-I162 HydrophobicContact CE2-CD1 4.06Å; F160-I162 HydrophobicContact CE2-CG1 3.9Å; F160-Q172 HydrophobicContact CB-CG 3.96Å; F160-Q172 VanDerWaalsContact CD1-NE2 3.27Å; F160-Q172 HydrophobicContact CD2-CG 3.46Å; F160-Q172 VanDerWaalsContact CD2-CG 3.46Å; F160-Q172 VanDerWaalsContact CE1-NE2 3.3Å; F160-Q172 HydrophobicContact CE2-CG 4.03Å; F160-Q172 HydrophobicContact CG-CG 3.83Å; F160-F173 CarbonylContact C-O 3.43Å; F160-F173 WeakPolarHBondContact CA-O 3.5Å; F160-F173 WeakPolarHBondContact CB-O 3.48Å; F160-L181 HydrophobicContact CB-CD1 4.19Å; F160-S217 VanDerWaalsContact CE2-O 3.31Å; F160-S217 WeakPolarHBondContact CE2-O 3.44Å; F160-S217 VanDerWaalsContact CZ-O 3.3Å; F160-S217 WeakPolarHBondContact CZ-O 3.42Å |
| 161 | V | 92.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 137.9 | 175.1 | 171.7 | 0 | 0 | 0 | 0 | 108.7 | M109 L122 F124 A152 V153 W154 Q172 F173 | M109-V161 HydrophobicContact CE-CG1 3.92Å; M109-V161 HydrophobicContact CE-CG2 4.48Å; M109-V161 HydrophobicContact SD-CB 3.96Å; M109-V161 HydrophobicContact SD-CG1 3.29Å; M109-V161 WeakPolarHBondContact SD-CG1 3.39Å; M109-V161 HydrophobicContact SD-CG2 3.43Å; M109-V161 WeakPolarHBondContact SD-CG2 3.35Å; L122-V161 HydrophobicContact CD2-CB 4.37Å; L122-V161 HydrophobicContact CD2-CG1 4.02Å; F124-V161 HydrophobicContact CE1-CG2 3.68Å; F124-V161 HydrophobicContact CZ-CG2 3.82Å; A152-V161 HydrophobicContact CB-CG1 4.11Å; V153-V161 WeakPolarHBondContact O-CA 3.15Å; V153-V161 WeakPolarHBondContact O-CG1 3.4Å; W154-V161 HydrophobicContact CD2-CG2 3.93Å; W154-V161 HydrophobicContact CE3-CG2 3.59Å; W154-V161 HydrophobicContact CH2-CG2 4.26Å; W154-V161 HydrophobicContact CZ3-CG2 3.78Å; V161-Q172 CarbonylContact O-C 3.58Å; V161-Q172 WeakPolarHBondContact O-CA 3.47Å; V161-F173 PolarHBondContact N-O 2.83Å; V161-F173 PolarHBondContact O-N 3.33Å |
| 162 | I | 93.8 | Very high | 90.8 | Very high | 2 Ų | 2 | 23 Ų | 23 | 1% | 0.01 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 120.4 | 170 | -54.7 | 178.2 | 0 | 0 | 0 | 107.7 | A152 V153 F160 I170 N171 V203 L220 | A152-I162 CarbonylContact C-O 3.49Å; A152-I162 VanDerWaalsContact CA-O 3.29Å; A152-I162 WeakPolarHBondContact CA-O 3.21Å; V153-I162 HydrophobicContact CG1-CB 4.11Å; V153-I162 PolarHBondContact N-O 3.35Å; V153-I162 PolarHBondContact O-N 3.18Å; F160-I162 HydrophobicContact CD2-CG1 4.06Å; F160-I162 HydrophobicContact CE2-CD1 4.06Å; F160-I162 HydrophobicContact CE2-CG1 3.9Å; I162-I170 HydrophobicContact CG2-CG2 3.49Å; I162-I170 VanDerWaalsContact CG2-CG2 3.49Å; I162-N171 CarbonylContact C-O 3.51Å; I162-N171 WeakPolarHBondContact CA-O 3.13Å; I162-V203 HydrophobicContact CD1-CB 4.29Å; I162-V203 HydrophobicContact CD1-CG1 3.95Å; I162-L220 HydrophobicContact CD1-CD2 4.3Å; I162-L220 HydrophobicContact CG2-CD2 4.2Å |
| 163 | A | 92.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 138.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | I149 S151 A152 I170 N171 F173 | I149-A163 HydrophobicContact CD1-CB 3.97Å; I149-A163 HydrophobicContact CG1-CB 4.11Å; I149-A163 HydrophobicContact CG2-CB 4.01Å; S151-A163 WeakPolarHBondContact O-CA 3.12Å; A152-A163 HydrophobicContact CB-CB 4.14Å; A163-I170 WeakPolarHBondContact O-CA 3.37Å; A163-N171 PolarHBondContact N-O 2.82Å; A163-N171 PolarHBondContact O-N 3.33Å; A163-F173 HydrophobicContact CB-CD2 4.05Å; A163-F173 HydrophobicContact CB-CE2 3.72Å |
| 164 | G | 93.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 138.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | I149 T150 S151 | I149-G164 WeakPolarHBondContact CA-O 3.31Å; T150-G164 PolarHBondContact N-O 2.55Å; T150-G164 PolarHBondContact OG1-O 3.45Å; T150-G164 VanDerWaalsContact OG1-O 3.11Å; S151-G164 PolarHBondContact O-N 2.66Å |
| 165 | H | 92.3 | Very high | 90.2 | Very high | 5 Ų | 5 | 22.2 Ų | 22.2 | 2% | 0.023 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 159.4 | -177.4 | -65.2 | -87.6 | 0 | 0 | 0 | 112 | C147 K148 N167 G168 E169 N171 I191 | C147-H165 HydrophobicContact CB-CB 4.19Å; C147-H165 PolarHBondContact O-ND1 2.88Å; K148-H165 WeakPolarHBondContact O-CA 3.47Å; H165-N167 WeakPolarHBondContact CB-OD1 3.25Å; H165-N167 PolarHBondContact O-N 2.97Å; H165-G168 PolarHBondContact O-N 3.37Å; H165-G168 VanDerWaalsContact O-N 3.16Å; H165-E169 HydrophobicContact CB-CB 4.38Å; H165-E169 WeakPolarHBondContact CB-O 3.46Å; H165-E169 PolarHBondContact CD2-O 2.9Å; H165-E169 PolarHBondContact N-O 3.46Å; H165-N171 PolarHBondContact CD2-ND2 2.76Å; H165-N171 VanDerWaalsContact CD2-ND2 3.31Å; H165-N171 PolarHBondContact NE2-ND2 3.5Å; H165-I191 PolarHBondContact O-N 2.84Å |
| 166 | E | 90.6 | Very high | 89.9 | Confident | 82 Ų | 82 | 29.9 Ų | 29.9 | 38% | 0.383 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -25.4 | 175.3 | -179.8 | 174.2 | -148.8 | 0 | 0 | 113.4 | K148 T150 G168 Q190 | K148-E166 WeakPolarHBondContact CD-OE2 3.24Å; K148-E166 WeakPolarHBondContact CE-OE1 3.41Å; K148-E166 WeakPolarHBondContact CE-OE2 3.48Å; K148-E166 HydrophobicContact CG-CB 3.88Å; K148-E166 WeakPolarHBondContact CG-OE2 3.26Å; K148-E166 IonicContact NZ-OE1 3.33Å; K148-E166 PolarHBondContact NZ-OE1 3.02Å; K148-E166 IonicContact NZ-OE2 3.33Å; K148-E166 PolarHBondContact NZ-OE2 2.95Å; K148-E166 PolarHBondContact O-N 3.38Å; T150-E166 HydrophobicContact CG2-CB 4.17Å; E166-G168 VanDerWaalsContact C-N 3.29Å; E166-G168 PolarHBondContact O-N 2.78Å; E166-Q190 HydrophobicContact CB-CB 4.41Å; E166-Q190 HydrophobicContact CG-CB 4.08Å; E166-Q190 WeakPolarHBondContact O-CA 3.42Å; E166-Q190 WeakPolarHBondContact O-CB 3.17Å; E166-Q190 PolarHBondContact O-N 3.37Å; E166-Q190 VanDerWaalsContact O-N 3.16Å |
| 167 | N | 89.7 | Confident | 89.7 | Confident | 39 Ų | 39 | 31.5 Ų | 31.5 | 21% | 0.209 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -0.6 | 179.3 | 68 | -4.5 | 0 | 0 | 0 | 113.9 | C147 H165 E169 | C147-N167 VanDerWaalsContact SG-CG 3.57Å; C147-N167 PolarHBondContact SG-ND2 3.43Å; H165-N167 WeakPolarHBondContact CB-OD1 3.25Å; H165-N167 PolarHBondContact O-N 2.97Å; N167-E169 WeakPolarHBondContact ND2-CG 3.47Å; N167-E169 PolarHBondContact ND2-OE1 3.37Å; N167-E169 PolarHBondContact ND2-OE2 3.49Å; N167-E169 VanDerWaalsContact OD1-CB 3.23Å; N167-E169 WeakPolarHBondContact OD1-CB 3.3Å; N167-E169 WeakPolarHBondContact OD1-CG 3.09Å; N167-E169 PolarHBondContact OD1-N 2.86Å |
| 168 | G | 88.9 | Confident | 89.6 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.134 | C | C | . | . | S | Bend | trans | 86.2 | 7.9 | -177 | 0 | 0 | 0 | 0 | 0 | 115.2 | H165 E166 H187 R189 | H165-G168 PolarHBondContact O-N 3.37Å; H165-G168 VanDerWaalsContact O-N 3.16Å; E166-G168 VanDerWaalsContact C-N 3.29Å; E166-G168 PolarHBondContact O-N 2.78Å; G168-H187 PolarHBondContact O-N 3.45Å; G168-R189 VanDerWaalsContact CA-O 3.22Å; G168-R189 WeakPolarHBondContact CA-O 3.41Å |
| 169 | E | 92.8 | Very high | 89.8 | Confident | 20 Ų | 20 | 31.5 Ų | 31.5 | 9% | 0.093 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 146.5 | 172.2 | -65.2 | 173.5 | 170.5 | 0 | 0 | 111.2 | H165 N167 K183 A184 K185 I191 | H165-E169 HydrophobicContact CB-CB 4.38Å; H165-E169 WeakPolarHBondContact CB-O 3.46Å; H165-E169 PolarHBondContact CD2-O 2.9Å; H165-E169 PolarHBondContact N-O 3.46Å; N167-E169 WeakPolarHBondContact ND2-CG 3.47Å; N167-E169 PolarHBondContact ND2-OE1 3.37Å; N167-E169 PolarHBondContact ND2-OE2 3.49Å; N167-E169 VanDerWaalsContact OD1-CB 3.23Å; N167-E169 WeakPolarHBondContact OD1-CB 3.3Å; N167-E169 WeakPolarHBondContact OD1-CG 3.09Å; N167-E169 PolarHBondContact OD1-N 2.86Å; E169-K183 WeakPolarHBondContact OE1-CE 3.37Å; E169-K183 IonicContact OE1-NZ 3.94Å; E169-K183 PolarHBondContact OE1-NZ 2.74Å; E169-K183 WeakPolarHBondContact OE2-CE 3.23Å; E169-K183 IonicContact OE2-NZ 3.71Å; E169-K183 PolarHBondContact OE2-NZ 2.89Å; E169-A184 CarbonylContact C-O 3.59Å; E169-A184 WeakPolarHBondContact CA-O 2.92Å; E169-K185 HydrophobicContact CG-CB 3.89Å; E169-K185 HydrophobicContact CG-CD 3.92Å; E169-K185 HydrophobicContact CG-CG 3.72Å; E169-K185 IonicContact OE1-NZ 3.17Å; E169-I191 WeakPolarHBondContact O-CD1 3.39Å |
| 170 | I | 93.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 120.6 | 173.1 | -56.1 | 163.7 | 0 | 0 | 0 | 106.4 | I162 A163 A184 I191 T205 F215 L220 | I162-I170 HydrophobicContact CG2-CG2 3.49Å; I162-I170 VanDerWaalsContact CG2-CG2 3.49Å; A163-I170 WeakPolarHBondContact O-CA 3.37Å; I170-A184 PolarHBondContact N-O 3.01Å; I170-A184 PolarHBondContact O-N 3.24Å; I170-I191 HydrophobicContact CD1-CD1 4.36Å; I170-I191 HydrophobicContact CG1-CD1 3.52Å; I170-T205 HydrophobicContact CD1-CG2 3.71Å; I170-T205 HydrophobicContact CG1-CG2 4.39Å; I170-F215 HydrophobicContact CD1-CD2 3.92Å; I170-F215 HydrophobicContact CD1-CE1 4.01Å; I170-F215 HydrophobicContact CD1-CE2 3.33Å; I170-F215 HydrophobicContact CD1-CG 4.47Å; I170-F215 HydrophobicContact CD1-CZ 3.39Å; I170-L220 HydrophobicContact CG2-CD1 4.36Å; I170-L220 HydrophobicContact CG2-CD2 3.85Å |
| 171 | N | 92.6 | Very high | 89.7 | Confident | 6 Ų | 6 | 34.9 Ų | 34.9 | 3% | 0.032 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 140.7 | -178 | -68.9 | -21.8 | 0 | 0 | 0 | 110.2 | I162 A163 H165 F173 K182 K183 | I162-N171 CarbonylContact C-O 3.51Å; I162-N171 WeakPolarHBondContact CA-O 3.13Å; A163-N171 PolarHBondContact N-O 2.82Å; A163-N171 PolarHBondContact O-N 3.33Å; H165-N171 PolarHBondContact CD2-ND2 2.76Å; H165-N171 VanDerWaalsContact CD2-ND2 3.31Å; H165-N171 PolarHBondContact NE2-ND2 3.5Å; N171-F173 HydrophobicContact CB-CD2 4.31Å; N171-F173 HydrophobicContact CB-CE2 3.57Å; N171-F173 HydrophobicContact CB-CZ 3.91Å; N171-K182 WeakPolarHBondContact CA-O 3.39Å; N171-K183 WeakPolarHBondContact OD1-CB 3.34Å; N171-K183 WeakPolarHBondContact OD1-CD 3.1Å; N171-K183 WeakPolarHBondContact OD1-CG 3.49Å |
| 172 | Q | 92.6 | Very high | 89.6 | Confident | 7 Ų | 7 | 39 Ų | 39 | 3% | 0.033 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 120.9 | 173 | -168.5 | 179.9 | 1 | 0 | 0 | 108.9 | F160 V161 I180 L181 K182 L220 | F160-Q172 HydrophobicContact CB-CG 3.96Å; F160-Q172 VanDerWaalsContact CD1-NE2 3.27Å; F160-Q172 HydrophobicContact CD2-CG 3.46Å; F160-Q172 VanDerWaalsContact CD2-CG 3.46Å; F160-Q172 VanDerWaalsContact CE1-NE2 3.3Å; F160-Q172 HydrophobicContact CE2-CG 4.03Å; F160-Q172 HydrophobicContact CG-CG 3.83Å; V161-Q172 CarbonylContact O-C 3.58Å; V161-Q172 WeakPolarHBondContact O-CA 3.47Å; Q172-I180 CarbonylContact O-C 3.56Å; Q172-I180 WeakPolarHBondContact O-CA 3.37Å; Q172-L181 HydrophobicContact CB-CB 4.43Å; Q172-L181 HydrophobicContact CG-CB 4.4Å; Q172-L181 HydrophobicContact CG-CD1 4.35Å; Q172-L181 PolarHBondContact O-N 3.24Å; Q172-K182 HydrophobicContact CB-CB 4.11Å; Q172-K182 PolarHBondContact N-O 3.19Å; Q172-L220 HydrophobicContact CB-CD1 3.78Å |
| 173 | F | 91.1 | Very high | 89.5 | Confident | 4 Ų | 4 | 43.5 Ų | 43.5 | 2% | 0.018 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 130.9 | 179 | -64.9 | -87.7 | 0 | 0 | 0 | 110.1 | L122 V142 F160 V161 A163 N171 A175 E179 I180 | L122-F173 HydrophobicContact CD2-CD2 4.46Å; V142-F173 HydrophobicContact CG1-CD1 3.89Å; V142-F173 HydrophobicContact CG1-CE1 3.97Å; F160-F173 CarbonylContact C-O 3.43Å; F160-F173 WeakPolarHBondContact CA-O 3.5Å; F160-F173 WeakPolarHBondContact CB-O 3.48Å; V161-F173 PolarHBondContact N-O 2.83Å; V161-F173 PolarHBondContact O-N 3.33Å; A163-F173 HydrophobicContact CB-CD2 4.05Å; A163-F173 HydrophobicContact CB-CE2 3.72Å; N171-F173 HydrophobicContact CB-CD2 4.31Å; N171-F173 HydrophobicContact CB-CE2 3.57Å; N171-F173 HydrophobicContact CB-CZ 3.91Å; F173-A175 PolarHBondContact O-N 3.44Å; F173-E179 WeakPolarHBondContact CA-O 3.35Å; F173-I180 HydrophobicContact CD1-CG1 3.76Å; F173-I180 HydrophobicContact CE1-CD1 4Å; F173-I180 HydrophobicContact CE1-CG1 3.34Å; F173-I180 HydrophobicContact CZ-CD1 4.42Å; F173-I180 HydrophobicContact CZ-CG1 4.03Å |
| 174 | S | 89.7 | Confident | 89.4 | Confident | 16 Ų | 16 | 44.3 Ų | 44.3 | 11% | 0.112 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 126.1 | 168.9 | 172 | 0 | 0 | 0 | 0 | 109.8 | K176 S177 G178 E179 | S174-K176 PolarHBondContact O-N 2.82Å; S174-K176 PolarHBondContact OG-N 3.1Å; S174-S177 VanDerWaalsContact CB-OG 3.28Å; S174-S177 WeakPolarHBondContact CB-OG 3.22Å; S174-S177 PolarHBondContact OG-N 2.88Å; S174-S177 PolarHBondContact OG-OG 3.36Å; S174-S177 VanDerWaalsContact OG-OG 3.09Å; S174-G178 WeakPolarHBondContact O-CA 3.48Å; S174-G178 PolarHBondContact O-N 2.82Å; S174-E179 PolarHBondContact N-O 2.92Å |
| 175 | A | 84.8 | Confident | 89.3 | Confident | 5 Ų | 5 | 50.4 Ų | 50.4 | 4% | 0.041 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -20.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L140 W154 G158 E159 F173 | L140-A175 WeakPolarHBondContact CD2-O 3.04Å; W154-A175 HydrophobicContact CH2-CB 4.25Å; W154-A175 HydrophobicContact CZ3-CB 3.66Å; G158-A175 WeakPolarHBondContact O-CB 3.34Å; E159-A175 WeakPolarHBondContact O-CB 3.36Å; E159-A175 PolarHBondContact O-N 2.86Å; F173-A175 PolarHBondContact O-N 3.44Å |
| 176 | K | 83.8 | Confident | 89.1 | Confident | 164 Ų | 164 | 54.2 Ų | 54.2 | 71% | 0.713 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | -45.1 | -178.5 | -65 | 177.1 | -176.3 | 165.1 | 0 | 112.8 | S174 | S174-K176 PolarHBondContact O-N 2.82Å; S174-K176 PolarHBondContact OG-N 3.1Å |
| 177 | S | 82.6 | Confident | 89.2 | Confident | 57 Ų | 57 | 50.5 Ų | 50.5 | 40% | 0.399 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.9 | -20.1 | -175.1 | 59 | 0 | 0 | 0 | 0 | 113.3 | S174 E179 | S174-S177 VanDerWaalsContact CB-OG 3.28Å; S174-S177 WeakPolarHBondContact CB-OG 3.22Å; S174-S177 PolarHBondContact OG-N 2.88Å; S174-S177 PolarHBondContact OG-OG 3.36Å; S174-S177 VanDerWaalsContact OG-OG 3.09Å; S177-E179 PolarHBondContact O-N 2.92Å; S177-E179 PolarHBondContact OG-N 3.37Å |
| 178 | G | 81.6 | Confident | 89.3 | Confident | 8 Ų | 8 | 54.2 Ų | 54.2 | 8% | 0.082 | 27% | 0.273 | C | S | . | . | trans | 74.7 | 3.2 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | V142 S174 | V142-G178 WeakPolarHBondContact CG1-O 3Å; S174-G178 WeakPolarHBondContact O-CA 3.48Å; S174-G178 PolarHBondContact O-N 2.82Å | ||
| 179 | E | 87.8 | Confident | 89.5 | Confident | 131 Ų | 131 | 61.4 Ų | 61.4 | 61% | 0.612 | 30% | 0.3 | S | S | * | . | trans | -75.4 | 147.9 | 179.8 | -65.8 | 177.4 | 157.9 | 0 | 0 | 111.3 | F173 S174 S177 L181 | F173-E179 WeakPolarHBondContact CA-O 3.35Å; S174-E179 PolarHBondContact N-O 2.92Å; S177-E179 PolarHBondContact O-N 2.92Å; S177-E179 PolarHBondContact OG-N 3.37Å; E179-L181 PolarHBondContact O-N 3.48Å | ||
| 180 | I | 89.1 | Confident | 89.5 | Confident | 93 Ų | 93 | 62.9 Ų | 62.9 | 48% | 0.477 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 112.1 | 172.9 | -60.8 | 167.1 | 0 | 0 | 0 | 107.7 | Q172 F173 K182 K183 | Q172-I180 CarbonylContact O-C 3.56Å; Q172-I180 WeakPolarHBondContact O-CA 3.37Å; F173-I180 HydrophobicContact CD1-CG1 3.76Å; F173-I180 HydrophobicContact CE1-CD1 4Å; F173-I180 HydrophobicContact CE1-CG1 3.34Å; F173-I180 HydrophobicContact CZ-CD1 4.42Å; F173-I180 HydrophobicContact CZ-CG1 4.03Å; I180-K182 WeakPolarHBondContact CG2-O 3.49Å; I180-K183 HydrophobicContact CG2-CB 4.43Å |
| 181 | L | 88.8 | Confident | 89.5 | Confident | 93 Ų | 93 | 62.9 Ų | 62.9 | 49% | 0.487 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | -46.2 | 175.7 | -64.1 | 175.5 | 0 | 0 | 0 | 110.5 | F160 Q172 E179 | F160-L181 HydrophobicContact CB-CD1 4.19Å; Q172-L181 HydrophobicContact CB-CB 4.43Å; Q172-L181 HydrophobicContact CG-CB 4.4Å; Q172-L181 HydrophobicContact CG-CD1 4.35Å; Q172-L181 PolarHBondContact O-N 3.24Å; E179-L181 PolarHBondContact O-N 3.48Å |
| 182 | K | 89.3 | Confident | 89.6 | Confident | 86 Ų | 86 | 64.6 Ų | 64.6 | 37% | 0.374 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 151.5 | -174.3 | -64.1 | -171.7 | -175 | 177.2 | 0 | 111.2 | N171 Q172 I180 N218 S219 L220 | N171-K182 WeakPolarHBondContact CA-O 3.39Å; Q172-K182 HydrophobicContact CB-CB 4.11Å; Q172-K182 PolarHBondContact N-O 3.19Å; I180-K182 WeakPolarHBondContact CG2-O 3.49Å; K182-N218 PolarHBondContact NZ-O 3.04Å; K182-S219 VanDerWaalsContact CD-O 3.3Å; K182-S219 WeakPolarHBondContact CD-O 3.32Å; K182-S219 VanDerWaalsContact NZ-CA 3.31Å; K182-S219 PolarHBondContact NZ-O 3.46Å; K182-L220 HydrophobicContact CB-CD1 3.91Å |
| 183 | K | 91.5 | Very high | 89.7 | Confident | 98 Ų | 98 | 65 Ų | 65 | 43% | 0.426 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 126.1 | -178.8 | 171.9 | 159 | -174.3 | 169.9 | 0 | 109.1 | E146 E169 N171 I180 | E146-K183 IonicContact OE2-NZ 3.38Å; E146-K183 PolarHBondContact OE2-NZ 3.38Å; E169-K183 WeakPolarHBondContact OE1-CE 3.37Å; E169-K183 IonicContact OE1-NZ 3.94Å; E169-K183 PolarHBondContact OE1-NZ 2.74Å; E169-K183 WeakPolarHBondContact OE2-CE 3.23Å; E169-K183 IonicContact OE2-NZ 3.71Å; E169-K183 PolarHBondContact OE2-NZ 2.89Å; N171-K183 WeakPolarHBondContact OD1-CB 3.34Å; N171-K183 WeakPolarHBondContact OD1-CD 3.1Å; N171-K183 WeakPolarHBondContact OD1-CG 3.49Å; I180-K183 HydrophobicContact CG2-CB 4.43Å |
| 184 | A | 91.2 | Very high | 89.9 | Confident | 17 Ų | 17 | 65 Ų | 65 | 14% | 0.14 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 137.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | E169 I170 E186 | E169-A184 CarbonylContact C-O 3.59Å; E169-A184 WeakPolarHBondContact CA-O 2.92Å; I170-A184 PolarHBondContact N-O 3.01Å; I170-A184 PolarHBondContact O-N 3.24Å; A184-E186 HydrophobicContact CB-CG 4.49Å |
| 185 | K | 90.3 | Very high | 90.1 | Very high | 128 Ų | 128 | 65.2 Ų | 65.2 | 56% | 0.557 | 32% | 0.318 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 89.1 | 178 | -171.2 | 173.1 | -174.4 | 167.3 | 0 | 110.4 | E169 | E169-K185 HydrophobicContact CG-CB 3.89Å; E169-K185 HydrophobicContact CG-CD 3.92Å; E169-K185 HydrophobicContact CG-CG 3.72Å; E169-K185 IonicContact OE1-NZ 3.17Å |
| 186 | E | 90.1 | Very high | 90.4 | Very high | 84 Ų | 84 | 66.8 Ų | 66.8 | 39% | 0.393 | 33% | 0.329 | S | S | . | . | trans | -113.5 | -21.8 | -171.6 | -70 | -64.6 | 144.5 | 0 | 0 | 113.5 | A184 K213 F215 | A184-E186 HydrophobicContact CB-CG 4.49Å; E186-K213 HydrophobicContact CB-CD 3.99Å; E186-K213 VanDerWaalsContact O-CE 3.32Å; E186-K213 WeakPolarHBondContact O-CE 3.38Å; E186-K213 IonicContact OE2-NZ 3.66Å; E186-F215 HydrophobicContact CB-CE1 4.15Å; E186-F215 HydrophobicContact CB-CZ 3.78Å; E186-F215 HydrophobicContact CG-CE1 3.81Å; E186-F215 HydrophobicContact CG-CZ 3.99Å | ||
| 187 | H | 92.3 | Very high | 90.7 | Very high | 4 Ų | 4 | 59.5 Ų | 59.5 | 2% | 0.019 | 30% | 0.298 | C | S | . | . | trans | -99.5 | 151.4 | 174.5 | -71.8 | -73.9 | 0 | 0 | 0 | 111.6 | G168 I191 T205 S207 D209 T211 | G168-H187 PolarHBondContact O-N 3.45Å; H187-I191 HydrophobicContact CB-CG1 4.34Å; H187-T205 PolarHBondContact NE2-OG1 3Å; H187-S207 WeakPolarHBondContact ND1-CB 3.3Å; H187-D209 WeakPolarHBondContact CA-OD2 3.42Å; H187-D209 WeakPolarHBondContact CB-OD2 3.05Å; H187-D209 IonicContact CG-OD2 3.5Å; H187-D209 IonicContact ND1-OD1 2.76Å; H187-D209 PolarHBondContact ND1-OD1 3.11Å; H187-D209 IonicContact ND1-OD2 3.64Å; H187-D209 PolarHBondContact ND1-OD2 2.93Å; H187-T211 PolarHBondContact CE1-OG1 3.19Å; H187-T211 PolarHBondContact ND1-OG1 2.57Å; H187-T211 VanDerWaalsContact ND1-OG1 3.12Å | ||
| 188 | T | 91.4 | Very high | 90.9 | Very high | 117 Ų | 117 | 60 Ų | 60 | 72% | 0.718 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -96.7 | -16.6 | 177.7 | 60.3 | 0 | 0 | 0 | 0 | 112.8 | D209 | T188-D209 PolarHBondContact N-OD2 3.4Å; T188-D209 VanDerWaalsContact OG1-CB 3.26Å; T188-D209 WeakPolarHBondContact OG1-CB 3.48Å; T188-D209 PolarHBondContact OG1-OD2 3.07Å |
| 189 | R | 92.3 | Very high | 91.1 | Very high | 151 Ų | 151 | 64.4 Ų | 64.4 | 57% | 0.57 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -130.2 | 176.2 | 179.1 | -63.9 | -174.2 | 176.5 | -158 | -3 | 110.5 | G168 I191 S207 K208 D209 | G168-R189 VanDerWaalsContact CA-O 3.22Å; G168-R189 WeakPolarHBondContact CA-O 3.41Å; R189-I191 PolarHBondContact O-N 2.95Å; R189-S207 PolarHBondContact O-OG 2.87Å; R189-K208 HydrophobicContact CB-CB 4.33Å; R189-K208 WeakPolarHBondContact CD-O 3.44Å; R189-D209 HydrophobicContact CB-CB 3.96Å; R189-D209 HydrophobicContact CG-CB 3.97Å |
| 190 | Q | 93 | Very high | 91.1 | Very high | 51 Ų | 51 | 59.1 Ų | 59.1 | 24% | 0.238 | 30% | 0.296 | C | S | . | . | trans | -55.8 | 134.9 | 179.9 | 71 | -176.7 | -26.2 | 0 | 0 | 113 | E166 S207 K208 | E166-Q190 HydrophobicContact CB-CB 4.41Å; E166-Q190 HydrophobicContact CG-CB 4.08Å; E166-Q190 WeakPolarHBondContact O-CA 3.42Å; E166-Q190 WeakPolarHBondContact O-CB 3.17Å; E166-Q190 PolarHBondContact O-N 3.37Å; E166-Q190 VanDerWaalsContact O-N 3.16Å; Q190-S207 WeakPolarHBondContact O-CA 3.31Å; Q190-S207 PolarHBondContact O-OG 2.95Å; Q190-S207 VanDerWaalsContact O-OG 3.05Å; Q190-K208 HydrophobicContact CG-CB 4.31Å; Q190-K208 HydrophobicContact CG-CD 4.25Å; Q190-K208 HydrophobicContact CG-CG 3.97Å; Q190-K208 VanDerWaalsContact NE2-CD 3.28Å; Q190-K208 PolarHBondContact O-N 2.93Å | ||
| 191 | I | 94.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 122.4 | 168.5 | -61.7 | 161.4 | 0 | 0 | 0 | 106.9 | T150 H165 E169 I170 H187 R189 D193 I194 A206 | T150-I191 WeakPolarHBondContact CB-O 3.48Å; T150-I191 PolarHBondContact OG1-O 3.4Å; H165-I191 PolarHBondContact O-N 2.84Å; E169-I191 WeakPolarHBondContact O-CD1 3.39Å; I170-I191 HydrophobicContact CD1-CD1 4.36Å; I170-I191 HydrophobicContact CG1-CD1 3.52Å; H187-I191 HydrophobicContact CB-CG1 4.34Å; R189-I191 PolarHBondContact O-N 2.95Å; I191-D193 WeakPolarHBondContact CG2-O 3.33Å; I191-I194 HydrophobicContact CG2-CD1 3.99Å; I191-I194 HydrophobicContact CG2-CG1 3.61Å; I191-A206 CarbonylContact C-O 3.6Å; I191-A206 WeakPolarHBondContact CA-O 3.47Å |
| 192 | N | 93.2 | Very high | 91.3 | Very high | 42 Ų | 42 | 56.2 Ų | 56.2 | 23% | 0.225 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | -37.8 | -179.5 | -66.8 | -44.2 | 0 | 0 | 0 | 111.7 | A206 K208 V232 N233 | N192-A206 PolarHBondContact N-O 2.89Å; N192-K208 WeakPolarHBondContact ND2-CG 3.34Å; N192-V232 PolarHBondContact ND2-O 3.39Å; N192-N233 WeakPolarHBondContact CB-O 3.4Å |
| 193 | D | 94.6 | Very high | 91.5 | Very high | 16 Ų | 16 | 52.2 Ų | 52.2 | 9% | 0.086 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 149.5 | -174.4 | -165.5 | 21.7 | 0 | 0 | 0 | 110.9 | I191 Q195 A206 N233 S234 | I191-D193 WeakPolarHBondContact CG2-O 3.33Å; D193-Q195 PolarHBondContact OD2-NE2 2.82Å; D193-A206 HydrophobicContact CB-CB 4.26Å; D193-A206 PolarHBondContact O-N 3.09Å; D193-N233 WeakPolarHBondContact CB-O 3.49Å; D193-S234 WeakPolarHBondContact OD2-CB 3.15Å; D193-S234 PolarHBondContact OD2-OG 2.92Å |
| 194 | I | 95 | Very high | 91.7 | Very high | 4 Ų | 4 | 47.5 Ų | 47.5 | 2% | 0.021 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 125.2 | 177.1 | -61.1 | 176.5 | 0 | 0 | 0 | 106.4 | S151 V153 I191 V203 I204 T205 | S151-I194 PolarHBondContact OG-N 3.21Å; V153-I194 HydrophobicContact CB-CG2 4.39Å; V153-I194 HydrophobicContact CG1-CG2 3.58Å; I191-I194 HydrophobicContact CG2-CD1 3.99Å; I191-I194 HydrophobicContact CG2-CG1 3.61Å; I194-V203 HydrophobicContact CG2-CG2 3.18Å; I194-I204 WeakPolarHBondContact CA-O 3.48Å; I194-T205 HydrophobicContact CG1-CG2 4.17Å |
| 195 | Q | 94.2 | Very high | 91.9 | Very high | 20 Ų | 20 | 46.7 Ų | 46.7 | 9% | 0.093 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 135.7 | 176.2 | -59.4 | -167.3 | 21.6 | 0 | 0 | 110 | D193 V203 I204 S234 A235 A236 V291 | D193-Q195 PolarHBondContact OD2-NE2 2.82Å; Q195-V203 WeakPolarHBondContact O-CA 3.15Å; Q195-V203 WeakPolarHBondContact O-CG2 3.32Å; Q195-I204 HydrophobicContact CB-CG2 4.09Å; Q195-I204 PolarHBondContact N-O 3.41Å; Q195-I204 WeakPolarHBondContact O-CG2 3.46Å; Q195-I204 PolarHBondContact O-N 3.45Å; Q195-S234 PolarHBondContact NE2-OG 2.77Å; Q195-A235 VanDerWaalsContact CD-O 3.26Å; Q195-A235 WeakPolarHBondContact CG-O 3.37Å; Q195-A236 VanDerWaalsContact OE1-CB 3.25Å; Q195-V291 PolarHBondContact NE2-O 3.24Å |
| 196 | S | 92.3 | Very high | 92.2 | Very high | 39 Ų | 39 | 40.6 Ų | 40.6 | 27% | 0.273 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 154.4 | 172.3 | 49.5 | 0 | 0 | 0 | 0 | 110.9 | V153 L200 M202 | V153-S196 WeakPolarHBondContact CG2-OG 3.28Å; S196-L200 VanDerWaalsContact OG-CD2 3.32Å; S196-L200 WeakPolarHBondContact OG-CD2 3.37Å; S196-M202 WeakPolarHBondContact CA-O 3.18Å |
| 197 | S | 90.5 | Very high | 92.4 | Very high | 11 Ų | 11 | 36.6 Ų | 36.6 | 8% | 0.077 | 19% | 0.193 | C | C | . | . | trans | -67 | 164.2 | 166.1 | 55.9 | 0 | 0 | 0 | 0 | 110.8 | D199 L200 T201 M202 | S197-D199 WeakPolarHBondContact CB-OD1 3.42Å; S197-D199 PolarHBondContact O-N 2.86Å; S197-D199 PolarHBondContact OG-OD1 3.36Å; S197-L200 WeakPolarHBondContact O-CA 3.31Å; S197-L200 PolarHBondContact O-N 2.59Å; S197-L200 PolarHBondContact OG-N 2.67Å; S197-T201 PolarHBondContact OG-N 3.23Å; S197-M202 PolarHBondContact N-O 3Å; S197-M202 PolarHBondContact OG-N 3.48Å; S197-M202 PolarHBondContact OG-O 3.44Å; S197-M202 VanDerWaalsContact OG-O 3.11Å | ||
| 198 | V | 86.1 | Confident | 92.4 | Very high | 67 Ų | 67 | 38.8 Ų | 38.8 | 41% | 0.406 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -32.9 | -177.4 | 176.5 | 0 | 0 | 0 | 0 | 112.5 | R20 L200 P239 | R20-V198 PolarHBondContact NH2-O 2.92Å; V198-L200 VanDerWaalsContact C-N 3.32Å; V198-P239 HydrophobicContact CG2-CB 3.78Å; V198-P239 HydrophobicContact CG2-CG 3.89Å |
| 199 | D | 84.8 | Confident | 92.4 | Very high | 101 Ų | 101 | 34.4 Ų | 34.4 | 54% | 0.54 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -2.8 | 175.1 | 68.5 | -17.6 | 0 | 0 | 0 | 113.7 | S197 T201 | S197-D199 WeakPolarHBondContact CB-OD1 3.42Å; S197-D199 PolarHBondContact O-N 2.86Å; S197-D199 PolarHBondContact OG-OD1 3.36Å; D199-T201 HydrophobicContact CB-CG2 4.25Å; D199-T201 PolarHBondContact O-N 3.48Å; D199-T201 VanDerWaalsContact O-N 3.13Å; D199-T201 PolarHBondContact OD1-N 3.04Å; D199-T201 PolarHBondContact OD1-OG1 2.82Å; D199-T201 VanDerWaalsContact OD1-OG1 3.13Å; D199-T201 WeakPolarHBondContact OD2-CB 3.49Å; D199-T201 WeakPolarHBondContact OD2-CG2 3.48Å; D199-T201 PolarHBondContact OD2-OG1 3.13Å |
| 200 | L | 87.5 | Confident | 92.4 | Very high | 19 Ų | 19 | 29.8 Ų | 29.8 | 10% | 0.099 | 16% | 0.161 | C | C | . | . | S | Bend | trans | 62.4 | 8.7 | -178.9 | -52.6 | 173.3 | 0 | 0 | 0 | 115 | F103 P156 S196 S197 V198 S217 | F103-L200 HydrophobicContact CD2-CD1 4Å; P156-L200 HydrophobicContact CB-CB 4.41Å; P156-L200 WeakPolarHBondContact CD-O 3.49Å; P156-L200 HydrophobicContact CG-CB 4.01Å; P156-L200 WeakPolarHBondContact CG-O 3.33Å; S196-L200 VanDerWaalsContact OG-CD2 3.32Å; S196-L200 WeakPolarHBondContact OG-CD2 3.37Å; S197-L200 WeakPolarHBondContact O-CA 3.31Å; S197-L200 PolarHBondContact O-N 2.59Å; S197-L200 PolarHBondContact OG-N 2.67Å; V198-L200 VanDerWaalsContact C-N 3.32Å; L200-S217 VanDerWaalsContact O-CB 3.26Å; L200-S217 WeakPolarHBondContact O-CB 3.47Å; L200-S217 PolarHBondContact O-OG 3.3Å |
| 201 | T | 89.5 | Confident | 92.4 | Very high | 50 Ų | 50 | 28.4 Ų | 28.4 | 31% | 0.307 | 16% | 0.156 | S | C | . | . | S | Bend | trans | -79.2 | -28.9 | -178.6 | 65.7 | 0 | 0 | 0 | 0 | 112.6 | S197 D199 D216 S217 | S197-T201 PolarHBondContact OG-N 3.23Å; D199-T201 HydrophobicContact CB-CG2 4.25Å; D199-T201 PolarHBondContact O-N 3.48Å; D199-T201 VanDerWaalsContact O-N 3.13Å; D199-T201 PolarHBondContact OD1-N 3.04Å; D199-T201 PolarHBondContact OD1-OG1 2.82Å; D199-T201 VanDerWaalsContact OD1-OG1 3.13Å; D199-T201 WeakPolarHBondContact OD2-CB 3.49Å; D199-T201 WeakPolarHBondContact OD2-CG2 3.48Å; D199-T201 PolarHBondContact OD2-OG1 3.13Å; T201-D216 VanDerWaalsContact O-OD1 3.12Å; T201-S217 WeakPolarHBondContact O-CB 3.46Å; T201-S217 PolarHBondContact O-N 2.87Å; T201-S217 PolarHBondContact O-OG 2.92Å; T201-S217 VanDerWaalsContact O-OG 3.07Å |
| 202 | M | 93 | Very high | 92.4 | Very high | 76 Ų | 76 | 28.4 Ų | 28.4 | 37% | 0.374 | 16% | 0.156 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 151.9 | -180 | -61.5 | -174.2 | -173.6 | 0 | 0 | 110.5 | S196 S197 L214 F215 I223 I237 | S196-M202 WeakPolarHBondContact CA-O 3.18Å; S197-M202 PolarHBondContact N-O 3Å; S197-M202 PolarHBondContact OG-N 3.48Å; S197-M202 PolarHBondContact OG-O 3.44Å; S197-M202 VanDerWaalsContact OG-O 3.11Å; M202-L214 HydrophobicContact CB-CD1 4.12Å; M202-L214 HydrophobicContact SD-CD2 3.91Å; M202-L214 HydrophobicContact SD-CG 4.42Å; M202-F215 WeakPolarHBondContact CA-O 3.31Å; M202-I223 HydrophobicContact CG-CD1 4.48Å; M202-I223 HydrophobicContact SD-CD1 4.48Å; M202-I237 HydrophobicContact CB-CD1 4.22Å |
| 203 | V | 94.8 | Very high | 92.5 | Very high | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.006 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 132.1 | 174.7 | 68.6 | 0 | 0 | 0 | 0 | 109.6 | V153 I162 I194 Q195 F215 | V153-V203 HydrophobicContact CG1-CG2 4.11Å; I162-V203 HydrophobicContact CD1-CB 4.29Å; I162-V203 HydrophobicContact CD1-CG1 3.95Å; I194-V203 HydrophobicContact CG2-CG2 3.18Å; Q195-V203 WeakPolarHBondContact O-CA 3.15Å; Q195-V203 WeakPolarHBondContact O-CG2 3.32Å; V203-F215 HydrophobicContact CG1-CB 3.64Å; V203-F215 PolarHBondContact N-O 2.84Å; V203-F215 PolarHBondContact O-N 2.8Å |
| 204 | I | 95.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 137.3 | 174.8 | -165.5 | 163.2 | 0 | 0 | 0 | 109.6 | I194 Q195 S212 K213 L214 F226 A235 I237 V244 | I194-I204 WeakPolarHBondContact CA-O 3.48Å; Q195-I204 HydrophobicContact CB-CG2 4.09Å; Q195-I204 PolarHBondContact N-O 3.41Å; Q195-I204 WeakPolarHBondContact O-CG2 3.46Å; Q195-I204 PolarHBondContact O-N 3.45Å; I204-S212 VanDerWaalsContact CG1-OG 3.31Å; I204-S212 WeakPolarHBondContact CG1-OG 3.4Å; I204-K213 WeakPolarHBondContact CA-O 3.32Å; I204-L214 HydrophobicContact CB-CD1 4.15Å; I204-F226 HydrophobicContact CD1-CE2 4.47Å; I204-A235 HydrophobicContact CD1-CB 3.81Å; I204-A235 HydrophobicContact CG1-CB 3.86Å; I204-A235 HydrophobicContact CG2-CB 4.21Å; I204-A235 WeakPolarHBondContact CG2-O 3.47Å; I204-I237 HydrophobicContact CB-CD1 3.93Å; I204-I237 HydrophobicContact CB-CG1 3.78Å; I204-I237 HydrophobicContact CD1-CG1 4.3Å; I204-I237 HydrophobicContact CG2-CD1 4.08Å; I204-I237 HydrophobicContact CG2-CG1 3.69Å; I204-V244 HydrophobicContact CD1-CB 3.81Å; I204-V244 HydrophobicContact CD1-CG1 3.78Å; I204-V244 HydrophobicContact CD1-CG2 4.42Å |
| 205 | T | 95.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 147.3 | 175.2 | 62.3 | 0 | 0 | 0 | 0 | 110.5 | I170 H187 I194 S212 K213 F215 | I170-T205 HydrophobicContact CD1-CG2 3.71Å; I170-T205 HydrophobicContact CG1-CG2 4.39Å; H187-T205 PolarHBondContact NE2-OG1 3Å; I194-T205 HydrophobicContact CG1-CG2 4.17Å; T205-S212 WeakPolarHBondContact O-CA 3.32Å; T205-S212 VanDerWaalsContact O-CB 3.26Å; T205-S212 WeakPolarHBondContact O-CB 3.29Å; T205-S212 PolarHBondContact O-OG 3.07Å; T205-K213 PolarHBondContact N-O 3.26Å; T205-K213 PolarHBondContact O-N 3.45Å; T205-K213 PolarHBondContact OG1-N 2.97Å; T205-K213 PolarHBondContact OG1-O 3.29Å; T205-F215 HydrophobicContact CG2-CD2 3.87Å; T205-F215 HydrophobicContact CG2-CE2 3.75Å |
| 206 | A | 95.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 129.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | I191 N192 D193 V232 A235 | I191-A206 CarbonylContact C-O 3.6Å; I191-A206 WeakPolarHBondContact CA-O 3.47Å; N192-A206 PolarHBondContact N-O 2.89Å; D193-A206 HydrophobicContact CB-CB 4.26Å; D193-A206 PolarHBondContact O-N 3.09Å; A206-V232 HydrophobicContact CB-CB 4.2Å; A206-V232 HydrophobicContact CB-CG1 3.67Å; A206-A235 HydrophobicContact CB-CB 3.96Å |
| 207 | S | 95.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 153.4 | -177.8 | 178.7 | 0 | 0 | 0 | 0 | 113.3 | H187 R189 Q190 D209 N210 T211 V232 | H187-S207 WeakPolarHBondContact ND1-CB 3.3Å; R189-S207 PolarHBondContact O-OG 2.87Å; Q190-S207 WeakPolarHBondContact O-CA 3.31Å; Q190-S207 PolarHBondContact O-OG 2.95Å; Q190-S207 VanDerWaalsContact O-OG 3.05Å; S207-D209 VanDerWaalsContact CB-OD1 3.25Å; S207-D209 WeakPolarHBondContact CB-OD1 3.41Å; S207-D209 PolarHBondContact O-N 2.96Å; S207-D209 VanDerWaalsContact O-N 3.15Å; S207-D209 VanDerWaalsContact OG-CG 3.24Å; S207-D209 PolarHBondContact OG-N 2.8Å; S207-D209 PolarHBondContact OG-OD1 2.99Å; S207-D209 PolarHBondContact OG-OD2 3.49Å; S207-N210 PolarHBondContact O-N 2.69Å; S207-T211 PolarHBondContact N-O 3.31Å; S207-T211 VanDerWaalsContact N-O 3.17Å; S207-V232 CarbonylContact C-O 3.56Å; S207-V232 PolarHBondContact O-N 3.05Å; S207-V232 VanDerWaalsContact O-O 3.14Å |
| 208 | K | 91.3 | Very high | 92.3 | Very high | 50 Ų | 50 | 29.7 Ų | 29.7 | 22% | 0.217 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -0.6 | 172.5 | -68.7 | -151.7 | -174 | -176.7 | 0 | 113.5 | R189 Q190 N192 N210 P231 E251 | R189-K208 HydrophobicContact CB-CB 4.33Å; R189-K208 WeakPolarHBondContact CD-O 3.44Å; Q190-K208 HydrophobicContact CG-CB 4.31Å; Q190-K208 HydrophobicContact CG-CD 4.25Å; Q190-K208 HydrophobicContact CG-CG 3.97Å; Q190-K208 VanDerWaalsContact NE2-CD 3.28Å; Q190-K208 PolarHBondContact O-N 2.93Å; N192-K208 WeakPolarHBondContact ND2-CG 3.34Å; K208-N210 PolarHBondContact O-N 2.85Å; K208-P231 HydrophobicContact CB-CB 4.48Å; K208-E251 IonicContact NZ-OE1 3.24Å; K208-E251 PolarHBondContact NZ-OE1 2.97Å |
| 209 | D | 91.6 | Very high | 92.4 | Very high | 25 Ų | 25 | 27.9 Ų | 27.9 | 13% | 0.134 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | 12.5 | 172.9 | 65 | 13 | 0 | 0 | 0 | 114 | H187 T188 R189 S207 T211 | H187-D209 WeakPolarHBondContact CA-OD2 3.42Å; H187-D209 WeakPolarHBondContact CB-OD2 3.05Å; H187-D209 IonicContact CG-OD2 3.5Å; H187-D209 IonicContact ND1-OD1 2.76Å; H187-D209 PolarHBondContact ND1-OD1 3.11Å; H187-D209 IonicContact ND1-OD2 3.64Å; H187-D209 PolarHBondContact ND1-OD2 2.93Å; T188-D209 PolarHBondContact N-OD2 3.4Å; T188-D209 VanDerWaalsContact OG1-CB 3.26Å; T188-D209 WeakPolarHBondContact OG1-CB 3.48Å; T188-D209 PolarHBondContact OG1-OD2 3.07Å; R189-D209 HydrophobicContact CB-CB 3.96Å; R189-D209 HydrophobicContact CG-CB 3.97Å; S207-D209 VanDerWaalsContact CB-OD1 3.25Å; S207-D209 WeakPolarHBondContact CB-OD1 3.41Å; S207-D209 PolarHBondContact O-N 2.96Å; S207-D209 VanDerWaalsContact O-N 3.15Å; S207-D209 VanDerWaalsContact OG-CG 3.24Å; S207-D209 PolarHBondContact OG-N 2.8Å; S207-D209 PolarHBondContact OG-OD1 2.99Å; S207-D209 PolarHBondContact OG-OD2 3.49Å; D209-T211 PolarHBondContact O-N 3.44Å; D209-T211 WeakPolarHBondContact OD1-CB 3.24Å; D209-T211 PolarHBondContact OD1-N 3.45Å; D209-T211 PolarHBondContact OD1-OG1 3.44Å |
| 210 | N | 91.9 | Very high | 92.7 | Very high | 54 Ų | 54 | 23.5 Ų | 23.5 | 29% | 0.289 | 13% | 0.126 | S | C | . | . | S | Bend | trans | 66.3 | 21.2 | -178.8 | -44.9 | -18.6 | 0 | 0 | 0 | 113.4 | S207 K208 T228 R230 P231 | S207-N210 PolarHBondContact O-N 2.69Å; K208-N210 PolarHBondContact O-N 2.85Å; N210-T228 VanDerWaalsContact CB-O 3.29Å; N210-T228 WeakPolarHBondContact CB-O 3.32Å; N210-T228 PolarHBondContact O-N 3.23Å; N210-T228 PolarHBondContact O-OG1 3.22Å; N210-T228 VanDerWaalsContact O-OG1 3.13Å; N210-R230 VanDerWaalsContact OD1-C 3.32Å; N210-P231 WeakPolarHBondContact OD1-CA 3.38Å; N210-P231 WeakPolarHBondContact OD1-CB 3.34Å; N210-P231 WeakPolarHBondContact OD1-CD 3.37Å |
| 211 | T | 93.9 | Very high | 92.8 | Very high | 21 Ų | 21 | 27.7 Ų | 27.7 | 13% | 0.129 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 145.9 | 173.9 | 72 | 0 | 0 | 0 | 0 | 110.9 | H187 S207 D209 T225 F226 R227 | H187-T211 PolarHBondContact CE1-OG1 3.19Å; H187-T211 PolarHBondContact ND1-OG1 2.57Å; H187-T211 VanDerWaalsContact ND1-OG1 3.12Å; S207-T211 PolarHBondContact N-O 3.31Å; S207-T211 VanDerWaalsContact N-O 3.17Å; D209-T211 PolarHBondContact O-N 3.44Å; D209-T211 WeakPolarHBondContact OD1-CB 3.24Å; D209-T211 PolarHBondContact OD1-N 3.45Å; D209-T211 PolarHBondContact OD1-OG1 3.44Å; T211-T225 HydrophobicContact CG2-CG2 4.39Å; T211-F226 WeakPolarHBondContact CA-O 3.43Å; T211-R227 HydrophobicContact CG2-CG 4.43Å |
| 212 | S | 95.2 | Very high | 93 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 137.9 | 160.2 | -179.7 | 0 | 0 | 0 | 0 | 107.6 | I204 T205 F226 A235 M246 | I204-S212 VanDerWaalsContact CG1-OG 3.31Å; I204-S212 WeakPolarHBondContact CG1-OG 3.4Å; T205-S212 WeakPolarHBondContact O-CA 3.32Å; T205-S212 VanDerWaalsContact O-CB 3.26Å; T205-S212 WeakPolarHBondContact O-CB 3.29Å; T205-S212 PolarHBondContact O-OG 3.07Å; S212-F226 PolarHBondContact N-O 3.48Å; S212-F226 PolarHBondContact O-N 3.12Å; S212-A235 WeakPolarHBondContact OG-CB 3.37Å; S212-M246 WeakPolarHBondContact CB-SD 3.41Å |
| 213 | K | 95.4 | Very high | 93 | Very high | 22 Ų | 22 | 28.2 Ų | 28.2 | 10% | 0.096 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 142.2 | -176.9 | -73.2 | 173.6 | 176.4 | -84.3 | 0 | 109.7 | E186 I204 T205 F215 K224 T225 | E186-K213 HydrophobicContact CB-CD 3.99Å; E186-K213 VanDerWaalsContact O-CE 3.32Å; E186-K213 WeakPolarHBondContact O-CE 3.38Å; E186-K213 IonicContact OE2-NZ 3.66Å; I204-K213 WeakPolarHBondContact CA-O 3.32Å; T205-K213 PolarHBondContact N-O 3.26Å; T205-K213 PolarHBondContact O-N 3.45Å; T205-K213 PolarHBondContact OG1-N 2.97Å; T205-K213 PolarHBondContact OG1-O 3.29Å; K213-F215 HydrophobicContact CB-CD2 4.19Å; K213-F215 HydrophobicContact CB-CE2 3.34Å; K213-F215 HydrophobicContact CB-CZ 3.69Å; K213-F215 HydrophobicContact CD-CE2 4.37Å; K213-F215 HydrophobicContact CD-CZ 3.93Å; K213-F215 HydrophobicContact CG-CZ 4.47Å; K213-K224 CarbonylContact C-O 3.59Å; K213-K224 VanDerWaalsContact CA-O 3.3Å; K213-K224 WeakPolarHBondContact CA-O 3.18Å; K213-T225 HydrophobicContact CG-CG2 4.22Å; K213-T225 PolarHBondContact NZ-OG1 3.15Å |
| 214 | L | 95.2 | Very high | 93 | Very high | 9 Ų | 9 | 31.3 Ų | 31.3 | 5% | 0.047 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 132.1 | 173.9 | -167.8 | 68.5 | 0 | 0 | 0 | 108.9 | M202 I204 I223 K224 F226 I237 | M202-L214 HydrophobicContact CB-CD1 4.12Å; M202-L214 HydrophobicContact SD-CD2 3.91Å; M202-L214 HydrophobicContact SD-CG 4.42Å; I204-L214 HydrophobicContact CB-CD1 4.15Å; L214-I223 HydrophobicContact CG-CD1 4.41Å; L214-I223 PolarHBondContact O-N 2.66Å; L214-K224 HydrophobicContact CB-CB 4.1Å; L214-K224 PolarHBondContact N-O 2.76Å; L214-K224 PolarHBondContact O-N 3.49Å; L214-F226 HydrophobicContact CB-CE2 4.18Å; L214-I237 HydrophobicContact CD1-CD1 3.65Å; L214-I237 HydrophobicContact CD1-CG1 4.21Å |
| 215 | F | 94.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 151.2 | -179.6 | -63.2 | -89.2 | 0 | 0 | 0 | 110.5 | I170 E186 M202 V203 T205 K213 D221 H222 | I170-F215 HydrophobicContact CD1-CD2 3.92Å; I170-F215 HydrophobicContact CD1-CE1 4.01Å; I170-F215 HydrophobicContact CD1-CE2 3.33Å; I170-F215 HydrophobicContact CD1-CG 4.47Å; I170-F215 HydrophobicContact CD1-CZ 3.39Å; E186-F215 HydrophobicContact CB-CE1 4.15Å; E186-F215 HydrophobicContact CB-CZ 3.78Å; E186-F215 HydrophobicContact CG-CE1 3.81Å; E186-F215 HydrophobicContact CG-CZ 3.99Å; M202-F215 WeakPolarHBondContact CA-O 3.31Å; V203-F215 HydrophobicContact CG1-CB 3.64Å; V203-F215 PolarHBondContact N-O 2.84Å; V203-F215 PolarHBondContact O-N 2.8Å; T205-F215 HydrophobicContact CG2-CD2 3.87Å; T205-F215 HydrophobicContact CG2-CE2 3.75Å; K213-F215 HydrophobicContact CB-CD2 4.19Å; K213-F215 HydrophobicContact CB-CE2 3.34Å; K213-F215 HydrophobicContact CB-CZ 3.69Å; K213-F215 HydrophobicContact CD-CE2 4.37Å; K213-F215 HydrophobicContact CD-CZ 3.93Å; K213-F215 HydrophobicContact CG-CZ 4.47Å; F215-D221 WeakPolarHBondContact CA-O 3.41Å; F215-H222 HydrophobicContact CD1-CB 4.15Å; F215-H222 HydrophobicContact CE1-CB 3.78Å |
| 216 | D | 93.8 | Very high | 92.9 | Very high | 43 Ų | 43 | 32.3 Ų | 32.3 | 23% | 0.23 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 131.9 | 163.3 | 169.4 | 43.4 | 0 | 0 | 0 | 109.2 | T201 N218 S219 L220 D221 I223 | T201-D216 VanDerWaalsContact O-OD1 3.12Å; D216-N218 VanDerWaalsContact C-N 3.31Å; D216-N218 PolarHBondContact O-N 3.39Å; D216-S219 VanDerWaalsContact CB-OG 3.3Å; D216-S219 WeakPolarHBondContact CB-OG 3.02Å; D216-S219 WeakPolarHBondContact OD2-CB 3.31Å; D216-S219 PolarHBondContact OD2-N 3.09Å; D216-S219 PolarHBondContact OD2-OG 3.44Å; D216-L220 WeakPolarHBondContact O-CA 3.4Å; D216-L220 PolarHBondContact O-N 2.98Å; D216-D221 PolarHBondContact N-O 3.14Å; D216-D221 VanDerWaalsContact N-O 3.1Å; D216-I223 HydrophobicContact CB-CD1 4.09Å; D216-I223 HydrophobicContact CB-CG1 4.5Å |
| 217 | S | 90.1 | Very high | 92.8 | Very high | 2 Ų | 2 | 41.6 Ų | 41.6 | 1% | 0.014 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -30.9 | -173.4 | 68.2 | 0 | 0 | 0 | 0 | 112.5 | P156 F160 L200 T201 | P156-S217 WeakPolarHBondContact CG-OG 3.41Å; F160-S217 VanDerWaalsContact CE2-O 3.31Å; F160-S217 WeakPolarHBondContact CE2-O 3.44Å; F160-S217 VanDerWaalsContact CZ-O 3.3Å; F160-S217 WeakPolarHBondContact CZ-O 3.42Å; L200-S217 VanDerWaalsContact O-CB 3.26Å; L200-S217 WeakPolarHBondContact O-CB 3.47Å; L200-S217 PolarHBondContact O-OG 3.3Å; T201-S217 WeakPolarHBondContact O-CB 3.46Å; T201-S217 PolarHBondContact O-N 2.87Å; T201-S217 PolarHBondContact O-OG 2.92Å; T201-S217 VanDerWaalsContact O-OG 3.07Å |
| 218 | N | 88.8 | Confident | 92.5 | Very high | 83 Ų | 83 | 42.5 Ų | 42.5 | 44% | 0.444 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -46.9 | -177.7 | -69.6 | -45.8 | 0 | 0 | 0 | 112.3 | K182 D216 | K182-N218 PolarHBondContact NZ-O 3.04Å; D216-N218 VanDerWaalsContact C-N 3.31Å; D216-N218 PolarHBondContact O-N 3.39Å |
| 219 | S | 87.8 | Confident | 92.3 | Very high | 29 Ų | 29 | 45.8 Ų | 45.8 | 20% | 0.203 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -28.8 | -179 | 60.7 | 0 | 0 | 0 | 0 | 113.2 | K182 D216 D221 | K182-S219 VanDerWaalsContact CD-O 3.3Å; K182-S219 WeakPolarHBondContact CD-O 3.32Å; K182-S219 VanDerWaalsContact NZ-CA 3.31Å; K182-S219 PolarHBondContact NZ-O 3.46Å; D216-S219 VanDerWaalsContact CB-OG 3.3Å; D216-S219 WeakPolarHBondContact CB-OG 3.02Å; D216-S219 WeakPolarHBondContact OD2-CB 3.31Å; D216-S219 PolarHBondContact OD2-N 3.09Å; D216-S219 PolarHBondContact OD2-OG 3.44Å; S219-D221 WeakPolarHBondContact CB-OD2 3.44Å; S219-D221 VanDerWaalsContact OG-CB 3.3Å; S219-D221 WeakPolarHBondContact OG-CB 3.13Å; S219-D221 PolarHBondContact OG-N 2.99Å; S219-D221 VanDerWaalsContact OG-N 3.07Å; S219-D221 PolarHBondContact OG-OD2 3.24Å |
| 220 | L | 89.6 | Confident | 92.1 | Very high | 10 Ų | 10 | 49.2 Ų | 49.2 | 5% | 0.052 | 24% | 0.238 | C | C | . | . | trans | 58.6 | 21.8 | -159 | -77.3 | -174.9 | 0 | 0 | 0 | 113.5 | I162 I170 Q172 K182 D216 | I162-L220 HydrophobicContact CD1-CD2 4.3Å; I162-L220 HydrophobicContact CG2-CD2 4.2Å; I170-L220 HydrophobicContact CG2-CD1 4.36Å; I170-L220 HydrophobicContact CG2-CD2 3.85Å; Q172-L220 HydrophobicContact CB-CD1 3.78Å; K182-L220 HydrophobicContact CB-CD1 3.91Å; D216-L220 WeakPolarHBondContact O-CA 3.4Å; D216-L220 PolarHBondContact O-N 2.98Å | ||
| 221 | D | 91.5 | Very high | 92.1 | Very high | 106 Ų | 106 | 47.8 Ų | 47.8 | 57% | 0.567 | 23% | 0.232 | S | C | * | . | trans | -75.6 | 135 | 175.3 | -67.6 | -23.7 | 0 | 0 | 0 | 110.3 | F215 D216 S219 I223 | F215-D221 WeakPolarHBondContact CA-O 3.41Å; D216-D221 PolarHBondContact N-O 3.14Å; D216-D221 VanDerWaalsContact N-O 3.1Å; S219-D221 WeakPolarHBondContact CB-OD2 3.44Å; S219-D221 VanDerWaalsContact OG-CB 3.3Å; S219-D221 WeakPolarHBondContact OG-CB 3.13Å; S219-D221 PolarHBondContact OG-N 2.99Å; S219-D221 VanDerWaalsContact OG-N 3.07Å; S219-D221 PolarHBondContact OG-OD2 3.24Å; D221-I223 PolarHBondContact O-N 3.23Å | ||
| 222 | H | 93.4 | Very high | 92.1 | Very high | 69 Ų | 69 | 46.9 Ų | 46.9 | 32% | 0.319 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 121.1 | 174.6 | 167.3 | -86.4 | 0 | 0 | 0 | 110.4 | F215 K224 T225 | F215-H222 HydrophobicContact CD1-CB 4.15Å; F215-H222 HydrophobicContact CE1-CB 3.78Å; H222-K224 PolarHBondContact NE2-O 3.19Å; H222-K224 VanDerWaalsContact NE2-O 3.1Å; H222-T225 PolarHBondContact CE1-OG1 2.98Å; H222-T225 PolarHBondContact NE2-N 3.06Å; H222-T225 PolarHBondContact NE2-OG1 3.38Å |
| 223 | I | 93 | Very high | 92 | Very high | 69 Ų | 69 | 48 Ų | 48 | 35% | 0.354 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | -53.4 | 179.8 | -46.4 | 177.5 | 0 | 0 | 0 | 110.6 | M202 L214 D216 D221 | M202-I223 HydrophobicContact CG-CD1 4.48Å; M202-I223 HydrophobicContact SD-CD1 4.48Å; L214-I223 HydrophobicContact CG-CD1 4.41Å; L214-I223 PolarHBondContact O-N 2.66Å; D216-I223 HydrophobicContact CB-CD1 4.09Å; D216-I223 HydrophobicContact CB-CG1 4.5Å; D221-I223 PolarHBondContact O-N 3.23Å |
| 224 | K | 93.7 | Very high | 91.9 | Very high | 65 Ų | 65 | 47 Ų | 47 | 28% | 0.283 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 146.9 | -170.7 | -64.5 | -69.5 | 173.4 | 166.1 | 0 | 112.4 | K213 L214 H222 F226 A273 E275 | K213-K224 CarbonylContact C-O 3.59Å; K213-K224 VanDerWaalsContact CA-O 3.3Å; K213-K224 WeakPolarHBondContact CA-O 3.18Å; L214-K224 HydrophobicContact CB-CB 4.1Å; L214-K224 PolarHBondContact N-O 2.76Å; L214-K224 PolarHBondContact O-N 3.49Å; H222-K224 PolarHBondContact NE2-O 3.19Å; H222-K224 VanDerWaalsContact NE2-O 3.1Å; K224-F226 HydrophobicContact CB-CE2 4.24Å; K224-F226 HydrophobicContact CB-CZ 3.94Å; K224-A273 WeakPolarHBondContact CE-O 3.31Å; K224-A273 PolarHBondContact NZ-O 2.81Å; K224-E275 WeakPolarHBondContact CA-OE1 3.19Å; K224-E275 HydrophobicContact CB-CG 4.37Å; K224-E275 WeakPolarHBondContact CB-OE1 3.05Å; K224-E275 HydrophobicContact CD-CG 3.81Å; K224-E275 WeakPolarHBondContact CD-OE1 3.33Å |
| 225 | T | 94.7 | Very high | 92 | Very high | 20 Ų | 20 | 46.6 Ų | 46.6 | 12% | 0.123 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 116.5 | 173.5 | -66.2 | 0 | 0 | 0 | 0 | 110.2 | T211 K213 H222 R227 E275 | T211-T225 HydrophobicContact CG2-CG2 4.39Å; K213-T225 HydrophobicContact CG-CG2 4.22Å; K213-T225 PolarHBondContact NZ-OG1 3.15Å; H222-T225 PolarHBondContact CE1-OG1 2.98Å; H222-T225 PolarHBondContact NE2-N 3.06Å; H222-T225 PolarHBondContact NE2-OG1 3.38Å; T225-R227 HydrophobicContact CG2-CG 3.94Å; T225-E275 PolarHBondContact N-OE1 3.34Å |
| 226 | F | 94.4 | Very high | 92 | Very high | 1 Ų | 1 | 46.7 Ų | 46.7 | 0% | 0.004 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 123.9 | 170 | -47 | -76.5 | 0 | 0 | 0 | 109.6 | I204 T211 S212 L214 K224 V244 M246 F270 E275 | I204-F226 HydrophobicContact CD1-CE2 4.47Å; T211-F226 WeakPolarHBondContact CA-O 3.43Å; S212-F226 PolarHBondContact N-O 3.48Å; S212-F226 PolarHBondContact O-N 3.12Å; L214-F226 HydrophobicContact CB-CE2 4.18Å; K224-F226 HydrophobicContact CB-CE2 4.24Å; K224-F226 HydrophobicContact CB-CZ 3.94Å; F226-V244 HydrophobicContact CD1-CG2 4.12Å; F226-V244 HydrophobicContact CD2-CG2 4.03Å; F226-V244 HydrophobicContact CE1-CG2 3.94Å; F226-V244 HydrophobicContact CE2-CG1 4.23Å; F226-V244 HydrophobicContact CE2-CG2 3.85Å; F226-V244 HydrophobicContact CG-CG2 4.17Å; F226-V244 HydrophobicContact CZ-CG1 4.22Å; F226-V244 HydrophobicContact CZ-CG2 3.81Å; F226-M246 HydrophobicContact CB-CE 3.46Å; F226-M246 VanDerWaalsContact CB-CE 3.46Å; F226-M246 HydrophobicContact CB-SD 3.89Å; F226-M246 HydrophobicContact CG-CE 4.07Å; F226-F270 HydrophobicContact CB-CD1 4.41Å; F226-F270 HydrophobicContact CD1-CB 3.91Å; F226-F270 HydrophobicContact CD1-CD1 4.09Å; F226-F270 HydrophobicContact CD1-CG 4.24Å; F226-F270 HydrophobicContact CE1-CB 4.32Å; F226-E275 HydrophobicContact CD1-CB 4.21Å; F226-E275 HydrophobicContact CD1-CG 4.36Å; F226-E275 HydrophobicContact CE1-CB 4.33Å; F226-E275 HydrophobicContact CE1-CG 4.14Å |
| 227 | R | 93.1 | Very high | 92 | Very high | 196 Ų | 196 | 46 Ų | 46 | 74% | 0.74 | 22% | 0.223 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 133.9 | -179.4 | -62.4 | -174.8 | -179 | 174.1 | 1.4 | 110.4 | T211 T225 | T211-R227 HydrophobicContact CG2-CG 4.43Å; T225-R227 HydrophobicContact CG2-CG 3.94Å |
| 228 | T | 89.8 | Confident | 92.2 | Very high | 18 Ų | 18 | 46.3 Ų | 46.3 | 11% | 0.11 | 23% | 0.225 | C | C | . | . | trans | -121.9 | 160.3 | 175.6 | 53.8 | 0 | 0 | 0 | 0 | 110.5 | N210 R230 V232 M246 F270 | N210-T228 VanDerWaalsContact CB-O 3.29Å; N210-T228 WeakPolarHBondContact CB-O 3.32Å; N210-T228 PolarHBondContact O-N 3.23Å; N210-T228 PolarHBondContact O-OG1 3.22Å; N210-T228 VanDerWaalsContact O-OG1 3.13Å; T228-R230 PolarHBondContact O-N 3.47Å; T228-R230 PolarHBondContact OG1-O 3.16Å; T228-V232 HydrophobicContact CG2-CG2 4.29Å; T228-V232 VanDerWaalsContact OG1-CG2 3.22Å; T228-V232 WeakPolarHBondContact OG1-CG2 3.25Å; T228-M246 HydrophobicContact CG2-CE 4.22Å; T228-M246 HydrophobicContact CG2-SD 4.15Å; T228-F270 HydrophobicContact CG2-CE2 4.13Å; T228-F270 HydrophobicContact CG2-CZ 4.04Å | ||
| 229 | D | 86.8 | Confident | 92.2 | Very high | 120 Ų | 120 | 44.5 Ų | 44.5 | 64% | 0.642 | 22% | 0.218 | S | C | * | . | S | Bend | trans | -78.2 | -17.9 | 177.2 | -39.8 | -67.7 | 0 | 0 | 0 | 112 | R268 | D229-R268 IonicContact OD2-CZ 3.53Å; D229-R268 IonicContact OD2-NH1 2.76Å; D229-R268 PolarHBondContact OD2-NH1 2.97Å; D229-R268 IonicContact OD2-NH2 2.87Å; D229-R268 PolarHBondContact OD2-NH2 3.21Å; D229-R268 VanDerWaalsContact OD2-NH2 3.17Å |
| 230 | R | 88.1 | Confident | 92.2 | Very high | 96 Ų | 96 | 47.9 Ų | 47.9 | 36% | 0.362 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -121.2 | 156.1 | -175.5 | -68.4 | -174.9 | 179.4 | 178.4 | 1.9 | 110.1 | N210 T228 | N210-R230 VanDerWaalsContact OD1-C 3.32Å; T228-R230 PolarHBondContact O-N 3.47Å; T228-R230 PolarHBondContact OG1-O 3.16Å |
| 231 | P | 91.1 | Very high | 92 | Very high | 25 Ų | 25 | 49.4 Ų | 49.4 | 16% | 0.162 | 24% | 0.24 | C | C | . | . | trans | -63.9 | 142.6 | 177.4 | 25.1 | -34 | 0 | 0 | 0 | 111 | K208 N210 G248 G249 | K208-P231 HydrophobicContact CB-CB 4.48Å; N210-P231 WeakPolarHBondContact OD1-CA 3.38Å; N210-P231 WeakPolarHBondContact OD1-CB 3.34Å; N210-P231 WeakPolarHBondContact OD1-CD 3.37Å; P231-G248 WeakPolarHBondContact O-CA 3.39Å; P231-G249 PolarHBondContact O-N 3.47Å; P231-G249 VanDerWaalsContact O-N 3.14Å | ||
| 232 | V | 93.2 | Very high | 91.9 | Very high | 2 Ų | 2 | 49.7 Ų | 49.7 | 1% | 0.012 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 125.4 | -180 | -167.6 | 0 | 0 | 0 | 0 | 108.4 | N192 A206 S207 T228 S234 M246 | N192-V232 PolarHBondContact ND2-O 3.39Å; A206-V232 HydrophobicContact CB-CB 4.2Å; A206-V232 HydrophobicContact CB-CG1 3.67Å; S207-V232 CarbonylContact C-O 3.56Å; S207-V232 PolarHBondContact O-N 3.05Å; S207-V232 VanDerWaalsContact O-O 3.14Å; T228-V232 HydrophobicContact CG2-CG2 4.29Å; T228-V232 VanDerWaalsContact OG1-CG2 3.22Å; T228-V232 WeakPolarHBondContact OG1-CG2 3.25Å; V232-S234 WeakPolarHBondContact CG1-O 3.22Å; V232-M246 HydrophobicContact CG1-CB 4.07Å; V232-M246 HydrophobicContact CG1-CG 4.22Å; V232-M246 HydrophobicContact CG1-SD 4.48Å; V232-M246 HydrophobicContact CG2-SD 4.38Å |
| 233 | N | 93.7 | Very high | 91.8 | Very high | 23 Ų | 23 | 46.6 Ų | 46.6 | 12% | 0.123 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | -35.3 | 177.7 | -68.4 | -26.7 | 0 | 0 | 0 | 111.3 | N192 D193 G247 I288 | N192-N233 WeakPolarHBondContact CB-O 3.4Å; D193-N233 WeakPolarHBondContact CB-O 3.49Å; N233-G247 PolarHBondContact N-O 3.25Å; N233-I288 VanDerWaalsContact CB-O 3.31Å; N233-I288 WeakPolarHBondContact CB-O 3.25Å; N233-I288 PolarHBondContact ND2-O 2.81Å |
| 234 | S | 94.6 | Very high | 91.9 | Very high | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.007 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 148.3 | -179.5 | 175.9 | 0 | 0 | 0 | 0 | 110.9 | D193 Q195 V232 G247 N289 V291 | D193-S234 WeakPolarHBondContact OD2-CB 3.15Å; D193-S234 PolarHBondContact OD2-OG 2.92Å; Q195-S234 PolarHBondContact NE2-OG 2.77Å; V232-S234 WeakPolarHBondContact CG1-O 3.22Å; S234-G247 PolarHBondContact N-O 3.16Å; S234-G247 PolarHBondContact O-N 3.14Å; S234-G247 VanDerWaalsContact O-O 3.09Å; S234-N289 WeakPolarHBondContact CB-O 3.39Å; S234-V291 WeakPolarHBondContact OG-CG2 3.34Å; S234-V291 PolarHBondContact OG-N 3.24Å |
| 235 | A | 95.6 | Very high | 91.9 | Very high | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.008 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 143.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | Q195 I204 A206 S212 V245 M246 | Q195-A235 VanDerWaalsContact CD-O 3.26Å; Q195-A235 WeakPolarHBondContact CG-O 3.37Å; I204-A235 HydrophobicContact CD1-CB 3.81Å; I204-A235 HydrophobicContact CG1-CB 3.86Å; I204-A235 HydrophobicContact CG2-CB 4.21Å; I204-A235 WeakPolarHBondContact CG2-O 3.47Å; A206-A235 HydrophobicContact CB-CB 3.96Å; S212-A235 WeakPolarHBondContact OG-CB 3.37Å; A235-V245 VanDerWaalsContact CA-O 3.31Å; A235-V245 WeakPolarHBondContact CA-O 3.09Å; A235-M246 HydrophobicContact CB-CG 3.95Å |
| 236 | A | 95.3 | Very high | 91.9 | Very high | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.008 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 151.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q195 V244 V245 V291 F293 | Q195-A236 VanDerWaalsContact OE1-CB 3.25Å; A236-V244 WeakPolarHBondContact O-CA 3.49Å; A236-V245 HydrophobicContact CB-CG1 3.91Å; A236-V245 PolarHBondContact N-O 2.63Å; A236-V245 PolarHBondContact O-N 3.18Å; A236-V291 HydrophobicContact CB-CG2 4.14Å; A236-F293 HydrophobicContact CB-CD2 3.62Å; A236-F293 HydrophobicContact CB-CE2 4.14Å; A236-F293 WeakPolarHBondContact O-CE2 3.49Å |
| 237 | I | 94.5 | Very high | 91.8 | Very high | 30 Ų | 30 | 39.5 Ų | 39.5 | 15% | 0.154 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 133.2 | 179.6 | -56.3 | 166.6 | 0 | 0 | 0 | 108.5 | M202 I204 L214 V244 F293 | M202-I237 HydrophobicContact CB-CD1 4.22Å; I204-I237 HydrophobicContact CB-CD1 3.93Å; I204-I237 HydrophobicContact CB-CG1 3.78Å; I204-I237 HydrophobicContact CD1-CG1 4.3Å; I204-I237 HydrophobicContact CG2-CD1 4.08Å; I204-I237 HydrophobicContact CG2-CG1 3.69Å; L214-I237 HydrophobicContact CD1-CD1 3.65Å; L214-I237 HydrophobicContact CD1-CG1 4.21Å; I237-V244 HydrophobicContact CG1-CG1 4.45Å; I237-F293 WeakPolarHBondContact O-CD2 3.26Å |
| 238 | S | 92.6 | Very high | 91.6 | Very high | 8 Ų | 8 | 30.9 Ų | 30.9 | 6% | 0.056 | 17% | 0.165 | C | C | . | . | trans | -69.8 | 135.6 | 174.7 | -179.5 | 0 | 0 | 0 | 0 | 110.2 | M241 H243 | S238-M241 WeakPolarHBondContact CB-O 3.43Å; S238-H243 WeakPolarHBondContact CB-O 3.13Å; S238-H243 PolarHBondContact N-O 2.92Å | ||
| 239 | P | 89.3 | Confident | 91.3 | Very high | 45 Ų | 45 | 30.2 Ų | 30.2 | 29% | 0.292 | 16% | 0.161 | S | C | . | . | S | Bend | trans | -72.6 | -32.8 | -179.6 | -20 | 31.7 | 0 | 0 | 0 | 115.1 | V198 F293 H294 P295 | V198-P239 HydrophobicContact CG2-CB 3.78Å; V198-P239 HydrophobicContact CG2-CG 3.89Å; P239-F293 HydrophobicContact CG-CB 4.4Å; P239-H294 WeakPolarHBondContact CG-O 3.13Å; P239-P295 WeakPolarHBondContact CB-O 3.23Å; P239-P295 WeakPolarHBondContact CG-O 3.43Å |
| 240 | I | 88.3 | Confident | 90.8 | Very high | 99 Ų | 99 | 29 Ų | 29 | 51% | 0.508 | 15% | 0.152 | S | C | . | . | S | Bend | trans | -100.6 | -43.2 | -171.2 | -66.7 | -170.4 | 0 | 0 | 0 | 111.6 | D296 | I240-D296 WeakPolarHBondContact CD1-O 3.38Š|
| 241 | M | 86.4 | Confident | 89.6 | Confident | 42 Ų | 42 | 29.5 Ų | 29.5 | 21% | 0.207 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -104.9 | 153.9 | -174 | -62.8 | -66.3 | -73.1 | 0 | 0 | 109.5 | S238 H243 F319 | S238-M241 WeakPolarHBondContact CB-O 3.43Å; M241-H243 HydrophobicContact CB-CB 4.36Å; M241-H243 PolarHBondContact O-N 3.17Å; M241-F319 HydrophobicContact CG-CD1 4.39Å |
| 242 | D | 88.7 | Confident | 87.9 | Confident | 112 Ų | 112 | 30.9 Ų | 30.9 | 60% | 0.599 | 17% | 0.172 | S | C | * | . | S | Bend | trans | -74.9 | 53.4 | 172.7 | -70.7 | -24.3 | 0 | 0 | 0 | 111.5 | A272 | D242-A272 HydrophobicContact CB-CB 4.36Å; D242-A272 VanDerWaalsContact O-CB 3.28Å; D242-A272 WeakPolarHBondContact O-CB 3.21Å; D242-A272 PolarHBondContact O-N 2.62Å |
| 243 | H | 91.7 | Very high | 86 | Confident | 4 Ų | 4 | 39 Ų | 39 | 2% | 0.019 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 146.5 | -177.6 | -60.6 | 158.5 | 0 | 0 | 0 | 110.8 | S238 M241 F270 H271 F278 Y318 | S238-H243 WeakPolarHBondContact CB-O 3.13Å; S238-H243 PolarHBondContact N-O 2.92Å; M241-H243 HydrophobicContact CB-CB 4.36Å; M241-H243 PolarHBondContact O-N 3.17Å; H243-F270 CarbonylContact C-O 3.55Å; H243-F270 WeakPolarHBondContact CA-O 2.92Å; H243-H271 AromaticContact NE2-CD2 3.97Å; H243-F278 HydrophobicContact CB-CE1 4.25Å; H243-F278 HydrophobicContact CB-CZ 4.27Å; H243-F278 AromaticContact CD2-CE1 3.58Å; H243-F278 AromaticContact CD2-CZ 3.82Å; H243-F278 AromaticContact CE1-CZ 3.6Å; H243-F278 AromaticContact CG-CE1 3.73Å; H243-F278 AromaticContact CG-CZ 3.63Å; H243-F278 AromaticContact ND1-CZ 3.48Å; H243-F278 WeakPolarHBondContact ND1-CZ 3.38Å; H243-F278 AromaticContact NE2-CE1 3.84Å; H243-F278 AromaticContact NE2-CZ 3.8Å; H243-Y318 AromaticContact ND1-CZ 3.52Å; H243-Y318 PolarHBondContact ND1-OH 2.79Å |
| 244 | V | 93.9 | Very high | 83.9 | Confident | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.006 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 138.9 | 170.7 | -59 | 0 | 0 | 0 | 0 | 109.3 | I204 F226 A236 I237 M246 F269 F270 A272 | I204-V244 HydrophobicContact CD1-CB 3.81Å; I204-V244 HydrophobicContact CD1-CG1 3.78Å; I204-V244 HydrophobicContact CD1-CG2 4.42Å; F226-V244 HydrophobicContact CD1-CG2 4.12Å; F226-V244 HydrophobicContact CD2-CG2 4.03Å; F226-V244 HydrophobicContact CE1-CG2 3.94Å; F226-V244 HydrophobicContact CE2-CG1 4.23Å; F226-V244 HydrophobicContact CE2-CG2 3.85Å; F226-V244 HydrophobicContact CG-CG2 4.17Å; F226-V244 HydrophobicContact CZ-CG1 4.22Å; F226-V244 HydrophobicContact CZ-CG2 3.81Å; A236-V244 WeakPolarHBondContact O-CA 3.49Å; I237-V244 HydrophobicContact CG1-CG1 4.45Å; V244-M246 HydrophobicContact CG2-CE 4.44Å; V244-F269 WeakPolarHBondContact O-CA 3.23Å; V244-F270 HydrophobicContact CG2-CB 3.67Å; V244-F270 PolarHBondContact N-O 2.91Å; V244-F270 PolarHBondContact O-N 2.88Å; V244-A272 HydrophobicContact CG1-CB 4.15Å |
| 245 | V | 94.9 | Very high | 82 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 134.7 | 172.9 | 73.2 | 0 | 0 | 0 | 0 | 108.9 | A235 A236 A267 R268 F269 V291 F293 Y300 | A235-V245 VanDerWaalsContact CA-O 3.31Å; A235-V245 WeakPolarHBondContact CA-O 3.09Å; A236-V245 HydrophobicContact CB-CG1 3.91Å; A236-V245 PolarHBondContact N-O 2.63Å; A236-V245 PolarHBondContact O-N 3.18Å; V245-A267 HydrophobicContact CG2-CB 4.1Å; V245-R268 WeakPolarHBondContact CA-O 3.2Å; V245-F269 HydrophobicContact CB-CD1 4.18Å; V245-F269 HydrophobicContact CB-CE1 3.86Å; V245-F269 HydrophobicContact CB-CZ 4.24Å; V245-F269 HydrophobicContact CG2-CD1 4.18Å; V245-F269 HydrophobicContact CG2-CD2 4.38Å; V245-F269 HydrophobicContact CG2-CE1 3.74Å; V245-F269 HydrophobicContact CG2-CE2 3.94Å; V245-F269 HydrophobicContact CG2-CG 4.49Å; V245-F269 HydrophobicContact CG2-CZ 3.6Å; V245-V291 HydrophobicContact CG1-CB 4.13Å; V245-V291 HydrophobicContact CG1-CG2 4.01Å; V245-F293 HydrophobicContact CB-CE2 3.71Å; V245-F293 HydrophobicContact CB-CZ 3.67Å; V245-F293 HydrophobicContact CG1-CD2 3.85Å; V245-F293 HydrophobicContact CG1-CE2 3.19Å; V245-F293 HydrophobicContact CG1-CZ 3.59Å; V245-Y300 HydrophobicContact CG2-CD2 4.49Å; V245-Y300 HydrophobicContact CG2-CE2 4.44Å |
| 246 | M | 94.1 | Very high | 79.5 | Confident | 5 Ų | 5 | 52.6 Ų | 52.6 | 3% | 0.025 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 129.7 | 175.7 | -71.3 | 179.4 | -84.5 | 0 | 0 | 110.1 | S212 F226 T228 V232 A235 V244 A267 R268 F270 | S212-M246 WeakPolarHBondContact CB-SD 3.41Å; F226-M246 HydrophobicContact CB-CE 3.46Å; F226-M246 VanDerWaalsContact CB-CE 3.46Å; F226-M246 HydrophobicContact CB-SD 3.89Å; F226-M246 HydrophobicContact CG-CE 4.07Å; T228-M246 HydrophobicContact CG2-CE 4.22Å; T228-M246 HydrophobicContact CG2-SD 4.15Å; V232-M246 HydrophobicContact CG1-CB 4.07Å; V232-M246 HydrophobicContact CG1-CG 4.22Å; V232-M246 HydrophobicContact CG1-SD 4.48Å; V232-M246 HydrophobicContact CG2-SD 4.38Å; A235-M246 HydrophobicContact CB-CG 3.95Å; V244-M246 HydrophobicContact CG2-CE 4.44Å; M246-A267 WeakPolarHBondContact O-CA 3.42Å; M246-R268 PolarHBondContact N-O 3.4Å; M246-R268 PolarHBondContact O-N 3.05Å; M246-F270 HydrophobicContact CE-CB 4.15Å; M246-F270 HydrophobicContact CE-CD1 4.18Å; M246-F270 HydrophobicContact CE-CD2 2.96Å; M246-F270 HydrophobicContact CE-CE1 4.31Å; M246-F270 HydrophobicContact CE-CE2 3.13Å; M246-F270 HydrophobicContact CE-CG 3.52Å; M246-F270 HydrophobicContact CE-CZ 3.83Å |
| 247 | G | 92.6 | Very high | 77.2 | Confident | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.01 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 134 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | N233 S234 | N233-G247 PolarHBondContact N-O 3.25Å; S234-G247 PolarHBondContact N-O 3.16Å; S234-G247 PolarHBondContact O-N 3.14Å; S234-G247 VanDerWaalsContact O-O 3.09Å |
| 248 | G | 88.7 | Confident | 74.7 | Confident | 15 Ų | 15 | 63.2 Ų | 63.2 | 16% | 0.155 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.7 | -165.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | P231 I288 | P231-G248 WeakPolarHBondContact O-CA 3.39Å; G248-I288 PolarHBondContact O-N 2.81Å |
| 249 | G | 83.3 | Confident | 72.3 | Confident | 3 Ų | 3 | 67.9 Ų | 67.9 | 3% | 0.031 | 39% | 0.391 | C | S | . | . | trans | 154.4 | 150.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | P231 | P231-G249 PolarHBondContact O-N 3.47Å; P231-G249 VanDerWaalsContact O-N 3.14Å | ||
| 250 | Q | 76.7 | Confident | 69.9 | Low | 94 Ų | 94 | 71.3 Ų | 71.3 | 44% | 0.439 | 41% | 0.411 | S | S | . | . | trans | -75.9 | 140.5 | 170.9 | -166.9 | 165.2 | 3 | 0 | 0 | 109.4 | A252 D254 P287 | Q250-A252 PolarHBondContact O-N 2.74Å; Q250-D254 HydrophobicContact CG-CB 4.2Å; Q250-D254 PolarHBondContact NE2-OD2 3.26Å; Q250-P287 VanDerWaalsContact O-CG 3.28Å; Q250-P287 WeakPolarHBondContact O-CG 3.27Å | ||
| 251 | E | 63.3 | Low | 68 | Low | 107 Ų | 107 | 77.5 Ų | 77.5 | 50% | 0.5 | 43% | 0.428 | S | S | . | . | trans | -54.9 | 137.5 | -177.1 | -68.9 | 177.7 | -167.3 | 0 | 0 | 110.7 | K208 M253 D254 | K208-E251 IonicContact NZ-OE1 3.24Å; K208-E251 PolarHBondContact NZ-OE1 2.97Å; E251-M253 PolarHBondContact O-N 2.91Å; E251-D254 PolarHBondContact O-N 2.94Å; E251-D254 VanDerWaalsContact O-N 3.1Å | ||
| 252 | A | 54.5 | Low | 66.4 | Low | 55 Ų | 55 | 80.8 Ų | 80.8 | 46% | 0.455 | 45% | 0.445 | S | S | . | . | G | 310 helix | trans | -59 | -20.2 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q250 D254 V255 | Q250-A252 PolarHBondContact O-N 2.74Å; A252-D254 VanDerWaalsContact C-N 3.33Å; A252-D254 PolarHBondContact O-N 3.03Å; A252-V255 PolarHBondContact O-N 2.84Å |
| 253 | M | 53 | Low | 65 | Low | 171 Ų | 171 | 76.4 Ų | 76.4 | 84% | 0.842 | 43% | 0.427 | S | S | * | . | G | 310 helix | trans | -67.9 | -29.2 | 179.3 | -152.3 | 165.5 | -171.7 | 0 | 0 | 113.3 | E251 V255 | E251-M253 PolarHBondContact O-N 2.91Å; M253-V255 VanDerWaalsContact C-N 3.33Å |
| 254 | D | 51 | Low | 64.2 | Low | 111 Ų | 111 | 82 Ų | 82 | 59% | 0.594 | 45% | 0.451 | S | S | * | . | G | 310 helix | trans | -80.9 | -15.6 | 174.5 | -75.9 | -16.6 | 0 | 0 | 0 | 112.4 | Q250 E251 A252 T256 | Q250-D254 HydrophobicContact CG-CB 4.2Å; Q250-D254 PolarHBondContact NE2-OD2 3.26Å; E251-D254 PolarHBondContact O-N 2.94Å; E251-D254 VanDerWaalsContact O-N 3.1Å; A252-D254 VanDerWaalsContact C-N 3.33Å; A252-D254 PolarHBondContact O-N 3.03Å; D254-T256 PolarHBondContact O-N 3.04Å |
| 255 | V | 53.7 | Low | 63.8 | Low | 88 Ų | 88 | 83 Ų | 83 | 53% | 0.533 | 46% | 0.456 | S | S | . | . | S | Bend | trans | -98.3 | 67.6 | -178.1 | -167.9 | 0 | 0 | 0 | 0 | 108.8 | A252 M253 T257 | A252-V255 PolarHBondContact O-N 2.84Å; M253-V255 VanDerWaalsContact C-N 3.33Å; V255-T257 PolarHBondContact O-N 2.82Å |
| 256 | T | 43.4 | Very low | 63.5 | Low | 113 Ų | 113 | 84 Ų | 84 | 69% | 0.693 | 46% | 0.46 | S | S | * | . | trans | -61.2 | 130.5 | 173.7 | 44.1 | 0 | 0 | 0 | 0 | 110.5 | D254 | D254-T256 PolarHBondContact O-N 3.04Š| ||
| 257 | T | 46.3 | Very low | 63.4 | Low | 124 Ų | 124 | 83.8 Ų | 83.8 | 76% | 0.761 | 46% | 0.459 | S | S | * | . | trans | 68.9 | 89.3 | 162 | 63.5 | 0 | 0 | 0 | 0 | 118.2 | V255 | V255-T257 PolarHBondContact O-N 2.82Š| ||
| 258 | T | 41.5 | Very low | 63.5 | Low | 129 Ų | 129 | 84.7 Ų | 84.7 | 79% | 0.791 | 46% | 0.462 | S | S | * | . | -166.6 | 117 | 115.5 | 9 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 259 | S | 42.9 | Very low | 63.7 | Low | 107 Ų | 107 | 84.1 Ų | 84.1 | 75% | 0.748 | 46% | 0.456 | S | S | * | . | trans | -54.9 | 142.5 | 166.4 | 34.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 260 | T | 39.9 | Very low | 64.2 | Low | 117 Ų | 117 | 84.5 Ų | 84.5 | 72% | 0.718 | 46% | 0.456 | S | S | * | . | S | Bend | trans | 86.8 | 106.8 | 168.2 | 66.4 | 0 | 0 | 0 | 0 | 118.8 | I262 | T260-I262 PolarHBondContact O-N 2.86Š|
| 261 | R | 47.9 | Very low | 65 | Low | 229 Ų | 229 | 81.2 Ų | 81.2 | 86% | 0.864 | 44% | 0.441 | S | S | * | . | trans | 62.9 | 36.3 | 135.5 | -64 | -176.9 | 174.5 | -178.1 | -1.4 | 119.2 | ||||
| 262 | I | 52.5 | Low | 66.1 | Low | 110 Ų | 110 | 76.9 Ų | 76.9 | 56% | 0.564 | 42% | 0.424 | S | S | * | . | trans | -116.3 | 103.1 | 165.8 | -46.6 | 174.5 | 0 | 0 | 0 | 108.6 | T260 K264 | T260-I262 PolarHBondContact O-N 2.86Å; I262-K264 HydrophobicContact CB-CG 3.98Å; I262-K264 HydrophobicContact CG2-CD 4.21Å; I262-K264 HydrophobicContact CG2-CG 3.42Å; I262-K264 VanDerWaalsContact CG2-CG 3.42Å; I262-K264 PolarHBondContact O-N 2.9Å | ||
| 263 | G | 59.2 | Low | 67.7 | Low | 21 Ų | 21 | 76.4 Ų | 76.4 | 22% | 0.216 | 42% | 0.419 | C | S | . | . | trans | -65.2 | 78.4 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | H284 | G263-H284 CarbonylContact C-O 3.56Å; G263-H284 WeakPolarHBondContact CA-O 3.22Å | ||
| 264 | K | 74.1 | Confident | 69.4 | Low | 121 Ų | 121 | 74.7 Ų | 74.7 | 53% | 0.526 | 40% | 0.404 | S | S | . | . | trans | -87.8 | -8.3 | -178.1 | -70.5 | -171.8 | -179.7 | 172.7 | 0 | 113 | I262 | I262-K264 HydrophobicContact CB-CG 3.98Å; I262-K264 HydrophobicContact CG2-CD 4.21Å; I262-K264 HydrophobicContact CG2-CG 3.42Å; I262-K264 VanDerWaalsContact CG2-CG 3.42Å; I262-K264 PolarHBondContact O-N 2.9Å | ||
| 265 | F | 86 | Confident | 71.2 | Confident | 23 Ų | 23 | 73.1 Ų | 73.1 | 10% | 0.101 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 133.4 | 177.7 | -62.5 | -87.2 | 0 | 0 | 0 | 109.3 | H284 F285 G286 P287 | F265-H284 HydrophobicContact CB-CB 4.03Å; F265-H284 PolarHBondContact N-O 3.38Å; F265-F285 WeakPolarHBondContact CD2-O 3.13Å; F265-F285 WeakPolarHBondContact CE2-O 3.46Å; F265-G286 WeakPolarHBondContact CB-O 3.46Å; F265-G286 VanDerWaalsContact CD2-CA 3.46Å; F265-G286 VanDerWaalsContact CD2-O 3.24Å; F265-G286 WeakPolarHBondContact CD2-O 3.46Å; F265-G286 WeakPolarHBondContact CG-O 3.47Å; F265-P287 HydrophobicContact CD1-CB 4.42Å; F265-P287 HydrophobicContact CD1-CG 4.32Å; F265-P287 HydrophobicContact CE1-CB 4.27Å; F265-P287 HydrophobicContact CE1-CG 3.73Å; F265-P287 HydrophobicContact CZ-CG 3.92Å |
| 266 | E | 89.1 | Confident | 72.9 | Confident | 20 Ų | 20 | 74.1 Ų | 74.1 | 9% | 0.093 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 138.6 | -169.5 | 62 | -166.7 | -174.9 | 0 | 0 | 109.9 | R268 R280 V281 K282 | E266-R268 HydrophobicContact CG-CG 4.22Å; E266-R268 IonicContact OE1-CZ 2.67Å; E266-R268 IonicContact OE1-NE 2.88Å; E266-R268 PolarHBondContact OE1-NE 3.27Å; E266-R268 IonicContact OE1-NH2 3.28Å; E266-R268 PolarHBondContact OE1-NH2 3.39Å; E266-R280 WeakPolarHBondContact OE1-CD 3.37Å; E266-R280 IonicContact OE1-CZ 3.66Å; E266-R280 IonicContact OE1-NE 3.85Å; E266-R280 IonicContact OE1-NH1 3.3Å; E266-R280 PolarHBondContact OE1-NH1 2.96Å; E266-R280 WeakPolarHBondContact OE2-CD 3.42Å; E266-V281 CarbonylContact C-O 3.59Å; E266-V281 VanDerWaalsContact CA-O 3.22Å; E266-V281 WeakPolarHBondContact CA-O 3.32Å; E266-K282 HydrophobicContact CB-CG 4.02Å; E266-K282 WeakPolarHBondContact OE2-CE 3.34Å |
| 267 | A | 92.7 | Very high | 75.1 | Confident | 1 Ų | 1 | 71.8 Ų | 71.8 | 1% | 0.008 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 130.4 | 162.7 | 0 | 0 | 0 | 0 | 0 | 107.6 | V245 M246 R280 V281 I288 Y300 | V245-A267 HydrophobicContact CG2-CB 4.1Å; M246-A267 WeakPolarHBondContact O-CA 3.42Å; A267-R280 WeakPolarHBondContact O-CA 3.38Å; A267-V281 PolarHBondContact N-O 3.45Å; A267-V281 PolarHBondContact O-N 2.81Å; A267-I288 HydrophobicContact CB-CD1 3.91Å; A267-Y300 HydrophobicContact CB-CE2 4.28Å |
| 268 | R | 93.4 | Very high | 77.2 | Confident | 19 Ų | 19 | 68.3 Ų | 68.3 | 7% | 0.072 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 135.2 | -178.5 | -58.9 | -175.9 | 176.5 | -170.9 | -5.3 | 109.7 | D229 V245 M246 E266 F270 E277 R280 | D229-R268 IonicContact OD2-CZ 3.53Å; D229-R268 IonicContact OD2-NH1 2.76Å; D229-R268 PolarHBondContact OD2-NH1 2.97Å; D229-R268 IonicContact OD2-NH2 2.87Å; D229-R268 PolarHBondContact OD2-NH2 3.21Å; D229-R268 VanDerWaalsContact OD2-NH2 3.17Å; V245-R268 WeakPolarHBondContact CA-O 3.2Å; M246-R268 PolarHBondContact N-O 3.4Å; M246-R268 PolarHBondContact O-N 3.05Å; E266-R268 HydrophobicContact CG-CG 4.22Å; E266-R268 IonicContact OE1-CZ 2.67Å; E266-R268 IonicContact OE1-NE 2.88Å; E266-R268 PolarHBondContact OE1-NE 3.27Å; E266-R268 IonicContact OE1-NH2 3.28Å; E266-R268 PolarHBondContact OE1-NH2 3.39Å; R268-F270 HydrophobicContact CB-CD2 4.2Å; R268-F270 HydrophobicContact CB-CE2 3.69Å; R268-E277 WeakPolarHBondContact CD-OE1 3.47Å; R268-E277 WeakPolarHBondContact CG-OE1 3.41Å; R268-R280 HydrophobicContact CG-CG 4.45Å |
| 269 | F | 93.8 | Very high | 79.4 | Confident | 4 Ų | 4 | 63.1 Ų | 63.1 | 2% | 0.018 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 127.6 | 179 | -73.8 | -92.2 | 0 | 0 | 0 | 109.8 | V244 V245 E277 F278 G279 V281 F293 Y300 F314 | V244-F269 WeakPolarHBondContact O-CA 3.23Å; V245-F269 HydrophobicContact CB-CD1 4.18Å; V245-F269 HydrophobicContact CB-CE1 3.86Å; V245-F269 HydrophobicContact CB-CZ 4.24Å; V245-F269 HydrophobicContact CG2-CD1 4.18Å; V245-F269 HydrophobicContact CG2-CD2 4.38Å; V245-F269 HydrophobicContact CG2-CE1 3.74Å; V245-F269 HydrophobicContact CG2-CE2 3.94Å; V245-F269 HydrophobicContact CG2-CG 4.49Å; V245-F269 HydrophobicContact CG2-CZ 3.6Å; F269-E277 WeakPolarHBondContact O-CA 3.48Å; F269-F278 HydrophobicContact CB-CD1 4.26Å; F269-F278 HydrophobicContact CB-CE1 3.72Å; F269-F278 HydrophobicContact CB-CE2 4Å; F269-F278 HydrophobicContact CB-CZ 3.58Å; F269-F278 HydrophobicContact CD1-CZ 4.3Å; F269-F278 HydrophobicContact CG-CZ 4.28Å; F269-F278 PolarHBondContact O-N 2.88Å; F269-G279 PolarHBondContact N-O 2.87Å; F269-V281 HydrophobicContact CD2-CG2 4.14Å; F269-V281 HydrophobicContact CE2-CB 4.3Å; F269-V281 HydrophobicContact CE2-CG2 3.57Å; F269-F293 HydrophobicContact CE1-CE1 4.44Å; F269-F293 HydrophobicContact CE1-CZ 4.15Å; F269-Y300 HydrophobicContact CE2-CE1 4.12Å; F269-Y300 AromaticContact CE2-CZ 3.96Å; F269-Y300 AromaticContact CZ-CD1 3.91Å; F269-Y300 HydrophobicContact CZ-CD1 3.91Å; F269-Y300 HydrophobicContact CZ-CD2 4.49Å; F269-Y300 AromaticContact CZ-CE1 3.49Å; F269-Y300 HydrophobicContact CZ-CE1 3.49Å; F269-Y300 VanDerWaalsContact CZ-CE1 3.49Å; F269-Y300 HydrophobicContact CZ-CE2 4.16Å; F269-Y300 HydrophobicContact CZ-CG 4.37Å; F269-Y300 AromaticContact CZ-CZ 3.64Å; F269-F314 HydrophobicContact CE1-CE1 4.06Å; F269-F314 AromaticContact CE1-CZ 3.93Å; F269-F314 HydrophobicContact CE1-CZ 3.93Å; F269-F314 HydrophobicContact CZ-CE1 4.1Å; F269-F314 HydrophobicContact CZ-CZ 4.13Å |
| 270 | F | 93.9 | Very high | 81.7 | Confident | 10 Ų | 10 | 63.8 Ų | 63.8 | 4% | 0.044 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 147.5 | 178.8 | -74.4 | -110.5 | 0 | 0 | 0 | 110.1 | F226 T228 H243 V244 M246 R268 E275 E276 E277 | F226-F270 HydrophobicContact CB-CD1 4.41Å; F226-F270 HydrophobicContact CD1-CB 3.91Å; F226-F270 HydrophobicContact CD1-CD1 4.09Å; F226-F270 HydrophobicContact CD1-CG 4.24Å; F226-F270 HydrophobicContact CE1-CB 4.32Å; T228-F270 HydrophobicContact CG2-CE2 4.13Å; T228-F270 HydrophobicContact CG2-CZ 4.04Å; H243-F270 CarbonylContact C-O 3.55Å; H243-F270 WeakPolarHBondContact CA-O 2.92Å; V244-F270 HydrophobicContact CG2-CB 3.67Å; V244-F270 PolarHBondContact N-O 2.91Å; V244-F270 PolarHBondContact O-N 2.88Å; M246-F270 HydrophobicContact CE-CB 4.15Å; M246-F270 HydrophobicContact CE-CD1 4.18Å; M246-F270 HydrophobicContact CE-CD2 2.96Å; M246-F270 HydrophobicContact CE-CE1 4.31Å; M246-F270 HydrophobicContact CE-CE2 3.13Å; M246-F270 HydrophobicContact CE-CG 3.52Å; M246-F270 HydrophobicContact CE-CZ 3.83Å; R268-F270 HydrophobicContact CB-CD2 4.2Å; R268-F270 HydrophobicContact CB-CE2 3.69Å; F270-E275 WeakPolarHBondContact CD1-O 3.3Å; F270-E276 CarbonylContact C-O 3.6Å; F270-E276 VanDerWaalsContact CA-O 3.23Å; F270-E276 WeakPolarHBondContact CA-O 3.27Å; F270-E277 HydrophobicContact CD1-CB 4.08Å; F270-E277 HydrophobicContact CD2-CB 4.41Å; F270-E277 HydrophobicContact CD2-CG 4.45Å; F270-E277 HydrophobicContact CE1-CB 3.77Å; F270-E277 HydrophobicContact CE2-CB 4.14Å; F270-E277 HydrophobicContact CE2-CG 4.12Å; F270-E277 HydrophobicContact CG-CB 4.41Å; F270-E277 HydrophobicContact CZ-CB 3.81Å; F270-E277 HydrophobicContact CZ-CG 4.21Å |
| 271 | H | 92.1 | Very high | 84.1 | Confident | 26 Ų | 26 | 59.6 Ų | 59.6 | 12% | 0.12 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 124.4 | 169.1 | -164.8 | -65.1 | 0 | 0 | 0 | 109.4 | H243 A273 Y274 E275 E276 L323 | H243-H271 AromaticContact NE2-CD2 3.97Å; H271-A273 VanDerWaalsContact C-N 3.34Å; H271-A273 PolarHBondContact ND1-N 2.9Å; H271-A273 VanDerWaalsContact ND1-N 3.19Å; H271-A273 PolarHBondContact O-N 3.23Å; H271-Y274 HydrophobicContact CB-CD2 4.26Å; H271-Y274 AromaticContact CD2-CD2 3.85Å; H271-Y274 AromaticContact CE1-CD2 3.54Å; H271-Y274 AromaticContact CE1-CE2 3.64Å; H271-Y274 AromaticContact CG-CD2 3.57Å; H271-Y274 AromaticContact ND1-CD2 3.37Å; H271-Y274 WeakPolarHBondContact ND1-CD2 3.45Å; H271-Y274 AromaticContact ND1-CE2 3.97Å; H271-Y274 AromaticContact NE2-CD2 3.81Å; H271-Y274 AromaticContact NE2-CE2 3.78Å; H271-Y274 PolarHBondContact O-N 2.95Å; H271-E275 WeakPolarHBondContact O-CA 3.44Å; H271-E275 PolarHBondContact O-N 3.29Å; H271-E276 PolarHBondContact N-O 3.41Å; H271-L323 HydrophobicContact CB-CD1 4.05Å |
| 272 | A | 88.1 | Confident | 86.1 | Confident | 16 Ų | 16 | 55.3 Ų | 55.3 | 13% | 0.132 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -40.5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | D242 V244 | D242-A272 HydrophobicContact CB-CB 4.36Å; D242-A272 VanDerWaalsContact O-CB 3.28Å; D242-A272 WeakPolarHBondContact O-CB 3.21Å; D242-A272 PolarHBondContact O-N 2.62Å; V244-A272 HydrophobicContact CG1-CB 4.15Å |
| 273 | A | 87.4 | Confident | 87.6 | Confident | 44 Ų | 44 | 51.2 Ų | 51.2 | 36% | 0.364 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -45.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | K224 H271 | K224-A273 WeakPolarHBondContact CE-O 3.31Å; K224-A273 PolarHBondContact NZ-O 2.81Å; H271-A273 VanDerWaalsContact C-N 3.34Å; H271-A273 PolarHBondContact ND1-N 2.9Å; H271-A273 VanDerWaalsContact ND1-N 3.19Å; H271-A273 PolarHBondContact O-N 3.23Å |
| 274 | Y | 87.4 | Confident | 88.9 | Confident | 136 Ų | 136 | 50.3 Ų | 50.3 | 53% | 0.533 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | -13.1 | -171.2 | -58 | -64 | 0 | 0 | 0 | 114.6 | H271 E276 | H271-Y274 HydrophobicContact CB-CD2 4.26Å; H271-Y274 AromaticContact CD2-CD2 3.85Å; H271-Y274 AromaticContact CE1-CD2 3.54Å; H271-Y274 AromaticContact CE1-CE2 3.64Å; H271-Y274 AromaticContact CG-CD2 3.57Å; H271-Y274 AromaticContact ND1-CD2 3.37Å; H271-Y274 WeakPolarHBondContact ND1-CD2 3.45Å; H271-Y274 AromaticContact ND1-CE2 3.97Å; H271-Y274 AromaticContact NE2-CD2 3.81Å; H271-Y274 AromaticContact NE2-CE2 3.78Å; H271-Y274 PolarHBondContact O-N 2.95Å; Y274-E276 PolarHBondContact O-N 2.89Å |
| 275 | E | 89.2 | Confident | 89.4 | Confident | 77 Ų | 77 | 49.5 Ų | 49.5 | 36% | 0.36 | 24% | 0.24 | S | C | . | . | trans | 62.8 | 17.2 | -175.7 | -49.1 | -179.2 | 158.6 | 0 | 0 | 114.1 | K224 T225 F226 F270 H271 | K224-E275 WeakPolarHBondContact CA-OE1 3.19Å; K224-E275 HydrophobicContact CB-CG 4.37Å; K224-E275 WeakPolarHBondContact CB-OE1 3.05Å; K224-E275 HydrophobicContact CD-CG 3.81Å; K224-E275 WeakPolarHBondContact CD-OE1 3.33Å; T225-E275 PolarHBondContact N-OE1 3.34Å; F226-E275 HydrophobicContact CD1-CB 4.21Å; F226-E275 HydrophobicContact CD1-CG 4.36Å; F226-E275 HydrophobicContact CE1-CB 4.33Å; F226-E275 HydrophobicContact CE1-CG 4.14Å; F270-E275 WeakPolarHBondContact CD1-O 3.3Å; H271-E275 WeakPolarHBondContact O-CA 3.44Å; H271-E275 PolarHBondContact O-N 3.29Å | ||
| 276 | E | 89.2 | Confident | 89.4 | Confident | 110 Ų | 110 | 48.9 Ų | 48.9 | 51% | 0.514 | 24% | 0.24 | S | C | . | . | trans | -94.7 | 138.1 | -178.8 | -65.4 | -167.3 | 162.5 | 0 | 0 | 112.3 | F270 H271 Y274 | F270-E276 CarbonylContact C-O 3.6Å; F270-E276 VanDerWaalsContact CA-O 3.23Å; F270-E276 WeakPolarHBondContact CA-O 3.27Å; H271-E276 PolarHBondContact N-O 3.41Å; Y274-E276 PolarHBondContact O-N 2.89Å | ||
| 277 | E | 90.4 | Very high | 89.4 | Confident | 64 Ų | 64 | 48 Ų | 48 | 30% | 0.299 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 121.2 | 173.8 | -176.1 | 177.8 | -163.1 | 0 | 0 | 110 | R268 F269 F270 R280 | R268-E277 WeakPolarHBondContact CD-OE1 3.47Å; R268-E277 WeakPolarHBondContact CG-OE1 3.41Å; F269-E277 WeakPolarHBondContact O-CA 3.48Å; F270-E277 HydrophobicContact CD1-CB 4.08Å; F270-E277 HydrophobicContact CD2-CB 4.41Å; F270-E277 HydrophobicContact CD2-CG 4.45Å; F270-E277 HydrophobicContact CE1-CB 3.77Å; F270-E277 HydrophobicContact CE2-CB 4.14Å; F270-E277 HydrophobicContact CE2-CG 4.12Å; F270-E277 HydrophobicContact CG-CB 4.41Å; F270-E277 HydrophobicContact CZ-CB 3.81Å; F270-E277 HydrophobicContact CZ-CG 4.21Å; E277-R280 VanDerWaalsContact CD-NE 3.28Å; E277-R280 WeakPolarHBondContact OE1-CD 3.38Å; E277-R280 WeakPolarHBondContact OE1-CG 3.24Å; E277-R280 IonicContact OE1-CZ 2.88Å; E277-R280 IonicContact OE1-NE 2.89Å; E277-R280 PolarHBondContact OE1-NE 3.14Å; E277-R280 IonicContact OE1-NH2 3.43Å; E277-R280 IonicContact OE2-CZ 2.74Å; E277-R280 IonicContact OE2-NE 3.63Å; E277-R280 PolarHBondContact OE2-NE 2.97Å; E277-R280 IonicContact OE2-NH2 3.45Å; E277-R280 PolarHBondContact OE2-NH2 3.25Å |
| 278 | F | 89.6 | Confident | 89.5 | Confident | 50 Ų | 50 | 48 Ų | 48 | 22% | 0.219 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | -14.2 | 180 | 71.4 | -92.7 | 0 | 0 | 0 | 113.5 | H243 F269 Y318 F321 L323 | H243-F278 HydrophobicContact CB-CE1 4.25Å; H243-F278 HydrophobicContact CB-CZ 4.27Å; H243-F278 AromaticContact CD2-CE1 3.58Å; H243-F278 AromaticContact CD2-CZ 3.82Å; H243-F278 AromaticContact CE1-CZ 3.6Å; H243-F278 AromaticContact CG-CE1 3.73Å; H243-F278 AromaticContact CG-CZ 3.63Å; H243-F278 AromaticContact ND1-CZ 3.48Å; H243-F278 WeakPolarHBondContact ND1-CZ 3.38Å; H243-F278 AromaticContact NE2-CE1 3.84Å; H243-F278 AromaticContact NE2-CZ 3.8Å; F269-F278 HydrophobicContact CB-CD1 4.26Å; F269-F278 HydrophobicContact CB-CE1 3.72Å; F269-F278 HydrophobicContact CB-CE2 4Å; F269-F278 HydrophobicContact CB-CZ 3.58Å; F269-F278 HydrophobicContact CD1-CZ 4.3Å; F269-F278 HydrophobicContact CG-CZ 4.28Å; F269-F278 PolarHBondContact O-N 2.88Å; F278-Y318 AromaticContact CE2-CE2 3.86Å; F278-Y318 HydrophobicContact CE2-CE2 3.86Å; F278-Y318 HydrophobicContact CZ-CE2 4.09Å; F278-F321 HydrophobicContact CB-CE1 3.98Å; F278-F321 HydrophobicContact CB-CZ 4.17Å; F278-F321 HydrophobicContact CD2-CD1 4.14Å; F278-F321 AromaticContact CD2-CE1 3.69Å; F278-F321 HydrophobicContact CD2-CE1 3.69Å; F278-F321 HydrophobicContact CD2-CZ 4.28Å; F278-F321 HydrophobicContact CE2-CD1 4.38Å; F278-F321 HydrophobicContact CE2-CE1 4.36Å; F278-F321 AromaticContact CG-CE1 3.93Å; F278-F321 HydrophobicContact CG-CE1 3.93Å; F278-L323 HydrophobicContact CB-CD1 4.19Å |
| 279 | G | 88.6 | Confident | 89.5 | Confident | 21 Ų | 21 | 48.9 Ų | 48.9 | 22% | 0.216 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 142.3 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | F269 | F269-G279 PolarHBondContact N-O 2.87Å |
| 280 | R | 91.2 | Very high | 89.5 | Confident | 120 Ų | 120 | 49 Ų | 49 | 45% | 0.453 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 123.4 | 172.7 | -68.3 | 175 | 179.8 | -155.2 | 11 | 109.7 | E266 A267 R268 E277 | E266-R280 WeakPolarHBondContact OE1-CD 3.37Å; E266-R280 IonicContact OE1-CZ 3.66Å; E266-R280 IonicContact OE1-NE 3.85Å; E266-R280 IonicContact OE1-NH1 3.3Å; E266-R280 PolarHBondContact OE1-NH1 2.96Å; E266-R280 WeakPolarHBondContact OE2-CD 3.42Å; A267-R280 WeakPolarHBondContact O-CA 3.38Å; R268-R280 HydrophobicContact CG-CG 4.45Å; E277-R280 VanDerWaalsContact CD-NE 3.28Å; E277-R280 WeakPolarHBondContact OE1-CD 3.38Å; E277-R280 WeakPolarHBondContact OE1-CG 3.24Å; E277-R280 IonicContact OE1-CZ 2.88Å; E277-R280 IonicContact OE1-NE 2.89Å; E277-R280 PolarHBondContact OE1-NE 3.14Å; E277-R280 IonicContact OE1-NH2 3.43Å; E277-R280 IonicContact OE2-CZ 2.74Å; E277-R280 IonicContact OE2-NE 3.63Å; E277-R280 PolarHBondContact OE2-NE 2.97Å; E277-R280 IonicContact OE2-NH2 3.45Å; E277-R280 PolarHBondContact OE2-NH2 3.25Å |
| 281 | V | 90.7 | Very high | 89.6 | Confident | 30 Ų | 30 | 48.5 Ų | 48.5 | 18% | 0.182 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 109.8 | 176.3 | -177.4 | 0 | 0 | 0 | 0 | 109.5 | E266 A267 F269 Y300 | E266-V281 CarbonylContact C-O 3.59Å; E266-V281 VanDerWaalsContact CA-O 3.22Å; E266-V281 WeakPolarHBondContact CA-O 3.32Å; A267-V281 PolarHBondContact N-O 3.45Å; A267-V281 PolarHBondContact O-N 2.81Å; F269-V281 HydrophobicContact CD2-CG2 4.14Å; F269-V281 HydrophobicContact CE2-CB 4.3Å; F269-V281 HydrophobicContact CE2-CG2 3.57Å; V281-Y300 WeakPolarHBondContact CB-OH 3.37Å; V281-Y300 WeakPolarHBondContact CG1-OH 3.21Å; V281-Y300 WeakPolarHBondContact CG2-OH 3.47Å |
| 282 | K | 88.9 | Confident | 89.7 | Confident | 139 Ų | 139 | 47.4 Ų | 47.4 | 60% | 0.604 | 24% | 0.237 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 149.9 | 176.7 | -64.9 | 177.5 | -176.1 | 175.6 | 0 | 110.3 | E266 | E266-K282 HydrophobicContact CB-CG 4.02Å; E266-K282 WeakPolarHBondContact OE2-CE 3.34Å |
| 283 | G | 83.7 | Confident | 90 | Very high | 23 Ų | 23 | 47.6 Ų | 47.6 | 24% | 0.237 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 166.2 | -23.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | R310 | G283-R310 PolarHBondContact O-NE 3.07Å; G283-R310 PolarHBondContact O-NH2 3.25Å |
| 284 | H | 87.6 | Confident | 90.3 | Very high | 2 Ų | 2 | 46.2 Ų | 46.2 | 1% | 0.009 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 136.5 | 179.1 | -74.4 | -89.2 | 0 | 0 | 0 | 111.8 | G263 F265 G286 I288 S302 G304 D306 R310 | G263-H284 CarbonylContact C-O 3.56Å; G263-H284 WeakPolarHBondContact CA-O 3.22Å; F265-H284 HydrophobicContact CB-CB 4.03Å; F265-H284 PolarHBondContact N-O 3.38Å; H284-G286 WeakPolarHBondContact CB-O 3.14Å; H284-I288 HydrophobicContact CB-CG1 4.06Å; H284-S302 PolarHBondContact CE1-O 2.67Å; H284-S302 VanDerWaalsContact CE1-O 3.29Å; H284-S302 VanDerWaalsContact NE2-CB 3.31Å; H284-S302 WeakPolarHBondContact NE2-CB 3.14Å; H284-S302 PolarHBondContact NE2-OG 2.93Å; H284-G304 PolarHBondContact CE1-N 2.92Å; H284-G304 WeakPolarHBondContact ND1-CA 3.29Å; H284-D306 IonicContact ND1-OD1 2.81Å; H284-R310 PolarHBondContact CE1-NH1 3.5Å; H284-R310 PolarHBondContact ND1-NH1 3.2Å |
| 285 | F | 84.3 | Confident | 90.5 | Very high | 104 Ų | 104 | 41.1 Ų | 41.1 | 46% | 0.456 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -86 | -20.3 | 177.5 | -64 | -73.7 | 0 | 0 | 0 | 112.7 | F265 D306 | F265-F285 WeakPolarHBondContact CD2-O 3.13Å; F265-F285 WeakPolarHBondContact CE2-O 3.46Å; F285-D306 HydrophobicContact CB-CB 4.14Å; F285-D306 PolarHBondContact N-OD2 2.9Å; F285-D306 VanDerWaalsContact N-OD2 3.1Å |
| 286 | G | 85.9 | Confident | 90.5 | Very high | 10 Ų | 10 | 41 Ų | 41 | 10% | 0.103 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -123.5 | 176 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112 | F265 H284 | F265-G286 WeakPolarHBondContact CB-O 3.46Å; F265-G286 VanDerWaalsContact CD2-CA 3.46Å; F265-G286 VanDerWaalsContact CD2-O 3.24Å; F265-G286 WeakPolarHBondContact CD2-O 3.46Å; F265-G286 WeakPolarHBondContact CG-O 3.47Å; H284-G286 WeakPolarHBondContact CB-O 3.14Å |
| 287 | P | 90.3 | Very high | 90.5 | Very high | 2 Ų | 2 | 35.8 Ų | 35.8 | 1% | 0.013 | 18% | 0.181 | C | C | . | . | trans | -48.2 | 140.3 | 171.9 | -27.7 | 35.4 | 0 | 0 | 0 | 112.2 | Q250 F265 N289 G304 E305 | Q250-P287 VanDerWaalsContact O-CG 3.28Å; Q250-P287 WeakPolarHBondContact O-CG 3.27Å; F265-P287 HydrophobicContact CD1-CB 4.42Å; F265-P287 HydrophobicContact CD1-CG 4.32Å; F265-P287 HydrophobicContact CE1-CB 4.27Å; F265-P287 HydrophobicContact CE1-CG 3.73Å; F265-P287 HydrophobicContact CZ-CG 3.92Å; P287-N289 PolarHBondContact O-N 2.93Å; P287-G304 CarbonylContact O-C 3.41Å; P287-G304 WeakPolarHBondContact O-CA 3.44Å; P287-E305 VanDerWaalsContact CD-OE2 3.25Å; P287-E305 WeakPolarHBondContact CD-OE2 3.42Å; P287-E305 WeakPolarHBondContact CG-OE2 3.22Å; P287-E305 PolarHBondContact O-N 2.84Å | ||
| 288 | I | 93.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 121.1 | 171.9 | -56.2 | 176.8 | 0 | 0 | 0 | 106.6 | N233 G248 A267 H284 C290 V291 | N233-I288 VanDerWaalsContact CB-O 3.31Å; N233-I288 WeakPolarHBondContact CB-O 3.25Å; N233-I288 PolarHBondContact ND2-O 2.81Å; G248-I288 PolarHBondContact O-N 2.81Å; A267-I288 HydrophobicContact CB-CD1 3.91Å; H284-I288 HydrophobicContact CB-CG1 4.06Å; I288-C290 WeakPolarHBondContact CG2-O 3.26Å; I288-V291 HydrophobicContact CG2-CG1 3.71Å |
| 289 | N | 93.4 | Very high | 90.6 | Very high | 39 Ų | 39 | 36.1 Ų | 36.1 | 21% | 0.209 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | -38.2 | -178.6 | -72.9 | -20 | 0 | 0 | 0 | 111.6 | I13 S234 P287 G303 | I13-N289 VanDerWaalsContact O-CB 3.3Å; I13-N289 WeakPolarHBondContact O-CB 3.45Å; I13-N289 PolarHBondContact O-ND2 3.3Å; S234-N289 WeakPolarHBondContact CB-O 3.39Å; P287-N289 PolarHBondContact O-N 2.93Å; N289-G303 PolarHBondContact N-O 2.86Å |
| 290 | C | 93.9 | Very high | 90.9 | Very high | 5 Ų | 5 | 35.1 Ų | 35.1 | 3% | 0.034 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 147 | -179.6 | 57.4 | 0 | 0 | 0 | 0 | 111.5 | I13 I16 I288 S302 G303 | I13-C290 VanDerWaalsContact CG2-SG 3.6Å; I16-C290 VanDerWaalsContact CG1-SG 3.57Å; I288-C290 WeakPolarHBondContact CG2-O 3.26Å; C290-S302 WeakPolarHBondContact O-CA 3.07Å; C290-G303 PolarHBondContact N-O 3.44Å; C290-G303 PolarHBondContact O-N 2.87Å |
| 291 | V | 95.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 146.2 | 170.1 | -68.1 | 0 | 0 | 0 | 0 | 108.8 | Q195 S234 A236 V245 I288 S301 | Q195-V291 PolarHBondContact NE2-O 3.24Å; S234-V291 WeakPolarHBondContact OG-CG2 3.34Å; S234-V291 PolarHBondContact OG-N 3.24Å; A236-V291 HydrophobicContact CB-CG2 4.14Å; V245-V291 HydrophobicContact CG1-CB 4.13Å; V245-V291 HydrophobicContact CG1-CG2 4.01Å; I288-V291 HydrophobicContact CG2-CG1 3.71Å; V291-S301 WeakPolarHBondContact CA-O 3.22Å |
| 292 | A | 94.9 | Very high | 91.3 | Very high | 4 Ų | 4 | 28 Ų | 28 | 3% | 0.033 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 136.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | I16 Y18 Y300 S301 | I16-A292 HydrophobicContact CG2-CB 4.15Å; Y18-A292 HydrophobicContact CD2-CB 3.92Å; Y18-A292 HydrophobicContact CE2-CB 4.08Å; A292-Y300 CarbonylContact O-C 3.49Å; A292-Y300 WeakPolarHBondContact O-CA 3.41Å; A292-S301 PolarHBondContact N-O 3.15Å; A292-S301 PolarHBondContact O-N 3.33Å |
| 293 | F | 94.9 | Very high | 91.5 | Very high | 20 Ų | 20 | 21.4 Ų | 21.4 | 9% | 0.088 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 144.8 | 169.1 | -82.7 | -75.5 | 0 | 0 | 0 | 110.5 | Y18 A236 I237 P239 V245 F269 F314 | Y18-F293 VanDerWaalsContact CD2-O 3.24Å; Y18-F293 WeakPolarHBondContact CD2-O 3.35Å; A236-F293 HydrophobicContact CB-CD2 3.62Å; A236-F293 HydrophobicContact CB-CE2 4.14Å; A236-F293 WeakPolarHBondContact O-CE2 3.49Å; I237-F293 WeakPolarHBondContact O-CD2 3.26Å; P239-F293 HydrophobicContact CG-CB 4.4Å; V245-F293 HydrophobicContact CB-CE2 3.71Å; V245-F293 HydrophobicContact CB-CZ 3.67Å; V245-F293 HydrophobicContact CG1-CD2 3.85Å; V245-F293 HydrophobicContact CG1-CE2 3.19Å; V245-F293 HydrophobicContact CG1-CZ 3.59Å; F269-F293 HydrophobicContact CE1-CE1 4.44Å; F269-F293 HydrophobicContact CE1-CZ 4.15Å; F293-F314 HydrophobicContact CD1-CE2 4.36Å; F293-F314 AromaticContact CE1-CE2 3.97Å; F293-F314 HydrophobicContact CE1-CE2 3.97Å; F293-F314 AromaticContact CE1-CZ 3.89Å; F293-F314 HydrophobicContact CE1-CZ 3.89Å |
| 294 | H | 93.8 | Very high | 91.9 | Very high | 15 Ų | 15 | 20.3 Ų | 20.3 | 7% | 0.069 | 10% | 0.101 | C | C | . | . | trans | -65.4 | 143.7 | 163.9 | -173.7 | -71.4 | 0 | 0 | 0 | 109 | Y18 G22 P239 D296 G297 S299 | Y18-H294 HydrophobicContact CD1-CB 4.34Å; Y18-H294 AromaticContact CD1-CD2 3.93Å; Y18-H294 HydrophobicContact CE1-CB 4.01Å; Y18-H294 AromaticContact CE1-CD2 3.65Å; Y18-H294 HydrophobicContact CE2-CB 4.46Å; G22-H294 WeakPolarHBondContact CA-NE2 3.04Å; G22-H294 PolarHBondContact O-CD2 2.97Å; G22-H294 VanDerWaalsContact O-CD2 3.31Å; G22-H294 PolarHBondContact O-NE2 2.58Å; P239-H294 WeakPolarHBondContact CG-O 3.13Å; H294-D296 VanDerWaalsContact C-N 3.32Å; H294-D296 IonicContact CE1-OD1 2.74Å; H294-D296 IonicContact CE1-OD2 3.3Å; H294-D296 WeakPolarHBondContact ND1-CB 3.48Å; H294-D296 PolarHBondContact ND1-N 3.43Å; H294-D296 PolarHBondContact O-N 2.97Å; H294-G297 WeakPolarHBondContact O-CA 3.15Å; H294-G297 PolarHBondContact O-N 3.06Å; H294-S299 WeakPolarHBondContact CB-O 3.49Å; H294-S299 VanDerWaalsContact CB-OG 3.26Å; H294-S299 WeakPolarHBondContact CB-OG 3.43Å; H294-S299 PolarHBondContact CD2-OG 3.13Å; H294-S299 PolarHBondContact N-O 2.96Å | ||
| 295 | P | 91.1 | Very high | 92 | Very high | 29 Ų | 29 | 23.1 Ų | 23.1 | 19% | 0.188 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -42.1 | 178.6 | -25.1 | 30.4 | 0 | 0 | 0 | 114.3 | N19 R20 P239 G297 | N19-P295 WeakPolarHBondContact O-CG 3.45Å; R20-P295 WeakPolarHBondContact O-CB 3.22Å; R20-P295 WeakPolarHBondContact O-CG 3.28Å; P239-P295 WeakPolarHBondContact CB-O 3.23Å; P239-P295 WeakPolarHBondContact CG-O 3.43Å; P295-G297 PolarHBondContact O-N 3.46Å |
| 296 | D | 89.4 | Confident | 92 | Very high | 74 Ų | 74 | 19.9 Ų | 19.9 | 40% | 0.396 | 10% | 0.102 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -4.9 | 171 | -64.4 | 3.7 | 0 | 0 | 0 | 115.4 | I240 H294 K298 | I240-D296 WeakPolarHBondContact CD1-O 3.38Å; H294-D296 VanDerWaalsContact C-N 3.32Å; H294-D296 IonicContact CE1-OD1 2.74Å; H294-D296 IonicContact CE1-OD2 3.3Å; H294-D296 WeakPolarHBondContact ND1-CB 3.48Å; H294-D296 PolarHBondContact ND1-N 3.43Å; H294-D296 PolarHBondContact O-N 2.97Å; D296-K298 HydrophobicContact CB-CD 4.34Å; D296-K298 HydrophobicContact CB-CG 4.28Å; D296-K298 PolarHBondContact O-N 3.22Å |
| 297 | G | 88.6 | Confident | 92.1 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.097 | C | C | . | . | S | Bend | trans | 63.2 | 2.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | H294 P295 F314 | H294-G297 WeakPolarHBondContact O-CA 3.15Å; H294-G297 PolarHBondContact O-N 3.06Å; P295-G297 PolarHBondContact O-N 3.46Å; G297-F314 VanDerWaalsContact O-CD2 3.25Å; G297-F314 WeakPolarHBondContact O-CD2 3.44Å; G297-F314 WeakPolarHBondContact O-CE2 3.31Å |
| 298 | K | 90.2 | Very high | 92.2 | Very high | 121 Ų | 121 | 22.9 Ų | 22.9 | 53% | 0.526 | 11% | 0.111 | S | C | . | . | S | Bend | trans | -80.5 | -16 | -179.2 | -68.8 | 175.4 | -172.1 | 161.8 | 0 | 114.6 | D296 F314 F319 | D296-K298 HydrophobicContact CB-CD 4.34Å; D296-K298 HydrophobicContact CB-CG 4.28Å; D296-K298 PolarHBondContact O-N 3.22Å; K298-F314 VanDerWaalsContact C-CD2 3.44Å; K298-F314 VanDerWaalsContact O-CD2 3.32Å; K298-F314 WeakPolarHBondContact O-CD2 3.13Å; K298-F314 PolarHBondContact O-N 3.38Å; K298-F319 HydrophobicContact CG-CZ 4.37Å |
| 299 | S | 92.2 | Very high | 92.2 | Very high | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.007 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 162.2 | 174.3 | 63.1 | 0 | 0 | 0 | 0 | 110.7 | H294 H312 | H294-S299 WeakPolarHBondContact CB-O 3.49Å; H294-S299 VanDerWaalsContact CB-OG 3.26Å; H294-S299 WeakPolarHBondContact CB-OG 3.43Å; H294-S299 PolarHBondContact CD2-OG 3.13Å; H294-S299 PolarHBondContact N-O 2.96Å; S299-H312 CarbonylContact C-O 3.33Å; S299-H312 WeakPolarHBondContact CA-O 3.22Å; S299-H312 WeakPolarHBondContact CB-O 3.42Å |
| 300 | Y | 94.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 149.4 | 168.1 | 81.3 | -80.6 | 0 | 0 | 0 | 110.1 | V245 A267 F269 V281 A292 H312 F314 | V245-Y300 HydrophobicContact CG2-CD2 4.49Å; V245-Y300 HydrophobicContact CG2-CE2 4.44Å; A267-Y300 HydrophobicContact CB-CE2 4.28Å; F269-Y300 HydrophobicContact CE2-CE1 4.12Å; F269-Y300 AromaticContact CE2-CZ 3.96Å; F269-Y300 AromaticContact CZ-CD1 3.91Å; F269-Y300 HydrophobicContact CZ-CD1 3.91Å; F269-Y300 HydrophobicContact CZ-CD2 4.49Å; F269-Y300 AromaticContact CZ-CE1 3.49Å; F269-Y300 HydrophobicContact CZ-CE1 3.49Å; F269-Y300 VanDerWaalsContact CZ-CE1 3.49Å; F269-Y300 HydrophobicContact CZ-CE2 4.16Å; F269-Y300 HydrophobicContact CZ-CG 4.37Å; F269-Y300 AromaticContact CZ-CZ 3.64Å; V281-Y300 WeakPolarHBondContact CB-OH 3.37Å; V281-Y300 WeakPolarHBondContact CG1-OH 3.21Å; V281-Y300 WeakPolarHBondContact CG2-OH 3.47Å; A292-Y300 CarbonylContact O-C 3.49Å; A292-Y300 WeakPolarHBondContact O-CA 3.41Å; Y300-H312 HydrophobicContact CD1-CB 3.57Å; Y300-H312 HydrophobicContact CE1-CB 3.19Å; Y300-H312 AromaticContact CE1-CG 3.53Å; Y300-H312 AromaticContact CE1-ND1 3.95Å; Y300-H312 HydrophobicContact CE2-CB 4.48Å; Y300-H312 AromaticContact CE2-ND1 3.7Å; Y300-H312 HydrophobicContact CG-CB 4.37Å; Y300-H312 AromaticContact CZ-CD2 3.92Å; Y300-H312 AromaticContact CZ-CE1 3.98Å; Y300-H312 AromaticContact CZ-CG 3.45Å; Y300-H312 VanDerWaalsContact CZ-CG 3.45Å; Y300-H312 AromaticContact CZ-ND1 3.49Å; Y300-H312 PolarHBondContact N-O 2.68Å; Y300-H312 PolarHBondContact O-N 3.3Å; Y300-H312 PolarHBondContact OH-CD2 3.45Å; Y300-F314 AromaticContact CD1-CE1 3.84Å; Y300-F314 HydrophobicContact CD1-CE1 3.84Å; Y300-F314 AromaticContact CD1-CE2 3.95Å; Y300-F314 HydrophobicContact CD1-CE2 3.95Å; Y300-F314 AromaticContact CD1-CZ 3.31Å; Y300-F314 HydrophobicContact CD1-CZ 3.31Å; Y300-F314 HydrophobicContact CE1-CE1 4.06Å; Y300-F314 AromaticContact CE1-CZ 3.99Å; Y300-F314 HydrophobicContact CE1-CZ 3.99Å; Y300-F314 HydrophobicContact CG-CZ 4.15Å |
| 301 | S | 95.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 149.3 | 175.7 | -75.9 | 0 | 0 | 0 | 0 | 111.1 | Y18 L25 V291 A292 R310 | Y18-S301 WeakPolarHBondContact OH-CB 3.38Å; Y18-S301 PolarHBondContact OH-N 3.42Å; Y18-S301 PolarHBondContact OH-OG 3.46Å; L25-S301 WeakPolarHBondContact CD2-OG 3.27Å; V291-S301 WeakPolarHBondContact CA-O 3.22Å; A292-S301 PolarHBondContact N-O 3.15Å; A292-S301 PolarHBondContact O-N 3.33Å; S301-R310 WeakPolarHBondContact CA-O 3.44Å |
| 302 | S | 95.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 133.5 | 176.1 | 50.9 | 0 | 0 | 0 | 0 | 109.9 | H284 C290 R310 H312 | H284-S302 PolarHBondContact CE1-O 2.67Å; H284-S302 VanDerWaalsContact CE1-O 3.29Å; H284-S302 VanDerWaalsContact NE2-CB 3.31Å; H284-S302 WeakPolarHBondContact NE2-CB 3.14Å; H284-S302 PolarHBondContact NE2-OG 2.93Å; C290-S302 WeakPolarHBondContact O-CA 3.07Å; S302-R310 PolarHBondContact N-O 3.21Å; S302-R310 PolarHBondContact O-N 3.3Å; S302-R310 PolarHBondContact OG-O 2.94Å; S302-H312 PolarHBondContact OG-CE1 3.14Å; S302-H312 VanDerWaalsContact OG-CE1 3.27Å |
| 303 | G | 94.3 | Very high | 92 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 123.5 | -179 | 0 | 0 | 0 | 0 | 0 | 110.4 | I16 N289 C290 | I16-G303 VanDerWaalsContact CD1-CA 3.45Å; I16-G303 VanDerWaalsContact CD1-N 3.27Å; N289-G303 PolarHBondContact N-O 2.86Å; C290-G303 PolarHBondContact N-O 3.44Å; C290-G303 PolarHBondContact O-N 2.87Å |
| 304 | G | 90.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 161.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | I13 H284 P287 D306 G307 Y308 | I13-G304 PolarHBondContact N-O 3.39Å; I13-G304 VanDerWaalsContact N-O 3.14Å; H284-G304 PolarHBondContact CE1-N 2.92Å; H284-G304 WeakPolarHBondContact ND1-CA 3.29Å; P287-G304 CarbonylContact O-C 3.41Å; P287-G304 WeakPolarHBondContact O-CA 3.44Å; G304-D306 WeakPolarHBondContact CA-OD1 3.48Å; G304-D306 PolarHBondContact O-N 3.46Å; G304-G307 PolarHBondContact O-N 2.99Å; G304-Y308 PolarHBondContact N-O 3.32Å |
| 305 | E | 89.4 | Confident | 91.4 | Very high | 61 Ų | 61 | 27.2 Ų | 27.2 | 29% | 0.285 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -19.2 | 165.7 | -162.4 | 174.1 | -170.5 | 0 | 0 | 112.1 | S12 P287 G307 | S12-E305 WeakPolarHBondContact CA-O 3.08Å; S12-E305 WeakPolarHBondContact CB-O 3.36Å; S12-E305 WeakPolarHBondContact OG-CG 3.44Å; S12-E305 PolarHBondContact OG-O 2.9Å; P287-E305 VanDerWaalsContact CD-OE2 3.25Å; P287-E305 WeakPolarHBondContact CD-OE2 3.42Å; P287-E305 WeakPolarHBondContact CG-OE2 3.22Å; P287-E305 PolarHBondContact O-N 2.84Å; E305-G307 PolarHBondContact O-N 2.84Å |
| 306 | D | 85.9 | Confident | 91.2 | Very high | 37 Ų | 37 | 30.4 Ų | 30.4 | 20% | 0.198 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69 | -5.7 | 174.9 | 63.5 | 0.9 | 0 | 0 | 0 | 114.4 | H284 F285 G304 Y308 R310 | H284-D306 IonicContact ND1-OD1 2.81Å; F285-D306 HydrophobicContact CB-CB 4.14Å; F285-D306 PolarHBondContact N-OD2 2.9Å; F285-D306 VanDerWaalsContact N-OD2 3.1Å; G304-D306 WeakPolarHBondContact CA-OD1 3.48Å; G304-D306 PolarHBondContact O-N 3.46Å; D306-Y308 VanDerWaalsContact C-N 3.29Å; D306-Y308 HydrophobicContact CB-CD2 4.17Å; D306-Y308 PolarHBondContact O-N 2.76Å; D306-Y308 PolarHBondContact OD1-N 3.24Å; D306-R310 IonicContact OD1-NH1 3.61Å; D306-R310 PolarHBondContact OD1-NH1 3.1Å; D306-R310 IonicContact OD2-CZ 3.82Å; D306-R310 VanDerWaalsContact OD2-CZ 3.28Å; D306-R310 IonicContact OD2-NH1 3.38Å; D306-R310 PolarHBondContact OD2-NH1 3.27Å; D306-R310 IonicContact OD2-NH2 3.06Å; D306-R310 PolarHBondContact OD2-NH2 3.22Å |
| 307 | G | 88 | Confident | 91 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.165 | C | C | . | . | S | Bend | trans | 80.4 | 7.8 | 178 | 0 | 0 | 0 | 0 | 0 | 114.2 | R11 G304 E305 | R11-G307 WeakPolarHBondContact O-CA 3.33Å; G304-G307 PolarHBondContact O-N 2.99Å; E305-G307 PolarHBondContact O-N 2.84Å |
| 308 | Y | 91.4 | Very high | 90.8 | Very high | 75 Ų | 75 | 35.4 Ų | 35.4 | 29% | 0.294 | 17% | 0.169 | S | C | . | . | trans | -104.1 | 141 | 175.4 | -56.2 | -55.6 | 0 | 0 | 0 | 111.5 | L5 Q7 G304 D306 | L5-Y308 HydrophobicContact CD1-CD2 4.47Å; L5-Y308 HydrophobicContact CD1-CG 4.02Å; Q7-Y308 HydrophobicContact CB-CD1 4.37Å; Q7-Y308 HydrophobicContact CB-CE1 4.3Å; Q7-Y308 HydrophobicContact CG-CD1 3.75Å; Q7-Y308 HydrophobicContact CG-CE1 3.7Å; G304-Y308 PolarHBondContact N-O 3.32Å; D306-Y308 VanDerWaalsContact C-N 3.29Å; D306-Y308 HydrophobicContact CB-CD2 4.17Å; D306-Y308 PolarHBondContact O-N 2.76Å; D306-Y308 PolarHBondContact OD1-N 3.24Å | ||
| 309 | V | 94.3 | Very high | 90.5 | Very high | 2 Ų | 2 | 32.7 Ų | 32.7 | 1% | 0.012 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 133.1 | 167.5 | -179.9 | 0 | 0 | 0 | 0 | 108.1 | L6 I13 I16 L25 | L6-V309 HydrophobicContact CB-CB 4.12Å; L6-V309 HydrophobicContact CD1-CB 4.22Å; L6-V309 HydrophobicContact CD1-CG1 4.07Å; L6-V309 PolarHBondContact N-O 2.88Å; L6-V309 PolarHBondContact O-N 2.84Å; I13-V309 HydrophobicContact CD1-CG2 3.78Å; I13-V309 HydrophobicContact CG1-CG2 3.87Å; I13-V309 HydrophobicContact CG2-CG2 4.34Å; I16-V309 HydrophobicContact CD1-CB 4.39Å; I16-V309 HydrophobicContact CD1-CG1 3.65Å; I16-V309 HydrophobicContact CD1-CG2 4Å; I16-V309 HydrophobicContact CG1-CG1 4.43Å; I16-V309 HydrophobicContact CG1-CG2 4.36Å; L25-V309 HydrophobicContact CD2-CG1 3.99Å |
| 310 | R | 94.2 | Very high | 90 | Very high | 9 Ų | 9 | 38.8 Ų | 38.8 | 3% | 0.034 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 116.1 | 178.7 | -68.1 | 174.8 | -178.6 | 73.5 | -3.8 | 109.5 | I4 L5 G283 H284 S301 S302 D306 H312 | I4-R310 WeakPolarHBondContact O-CA 3.47Å; L5-R310 HydrophobicContact CD1-CG 3.61Å; G283-R310 PolarHBondContact O-NE 3.07Å; G283-R310 PolarHBondContact O-NH2 3.25Å; H284-R310 PolarHBondContact CE1-NH1 3.5Å; H284-R310 PolarHBondContact ND1-NH1 3.2Å; S301-R310 WeakPolarHBondContact CA-O 3.44Å; S302-R310 PolarHBondContact N-O 3.21Å; S302-R310 PolarHBondContact O-N 3.3Å; S302-R310 PolarHBondContact OG-O 2.94Å; D306-R310 IonicContact OD1-NH1 3.61Å; D306-R310 PolarHBondContact OD1-NH1 3.1Å; D306-R310 IonicContact OD2-CZ 3.82Å; D306-R310 VanDerWaalsContact OD2-CZ 3.28Å; D306-R310 IonicContact OD2-NH1 3.38Å; D306-R310 PolarHBondContact OD2-NH1 3.27Å; D306-R310 IonicContact OD2-NH2 3.06Å; D306-R310 PolarHBondContact OD2-NH2 3.22Å; R310-H312 VanDerWaalsContact CB-CE1 3.47Å; R310-H312 WeakPolarHBondContact CB-CE1 3.28Å; R310-H312 PolarHBondContact O-ND1 3.17Å |
| 311 | I | 94.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 125.4 | 172.3 | -53 | 179.6 | 0 | 0 | 0 | 107.9 | P3 I4 L6 L25 Y313 | P3-I311 CarbonylContact C-O 3.57Å; P3-I311 VanDerWaalsContact CA-O 3.24Å; P3-I311 WeakPolarHBondContact CA-O 3.38Å; I4-I311 HydrophobicContact CB-CB 4.37Å; I4-I311 PolarHBondContact N-O 2.74Å; I4-I311 PolarHBondContact O-N 3.5Å; L6-I311 HydrophobicContact CD1-CD1 3.61Å; L6-I311 HydrophobicContact CD1-CG1 3.88Å; L6-I311 HydrophobicContact CD2-CD1 4.34Å; L6-I311 HydrophobicContact CG-CD1 4.19Å; L6-I311 HydrophobicContact CG-CG1 4.28Å; L25-I311 HydrophobicContact CD2-CD1 3.79Å; L25-I311 HydrophobicContact CD2-CG1 3.87Å; I311-Y313 HydrophobicContact CG2-CD2 4.36Å; I311-Y313 HydrophobicContact CG2-CE2 3.72Å |
| 312 | H | 93 | Very high | 87.9 | Confident | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.009 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 123.6 | 179.5 | -60.1 | 78.8 | 0 | 0 | 0 | 109.3 | S299 Y300 S302 R310 | S299-H312 CarbonylContact C-O 3.33Å; S299-H312 WeakPolarHBondContact CA-O 3.22Å; S299-H312 WeakPolarHBondContact CB-O 3.42Å; Y300-H312 HydrophobicContact CD1-CB 3.57Å; Y300-H312 HydrophobicContact CE1-CB 3.19Å; Y300-H312 AromaticContact CE1-CG 3.53Å; Y300-H312 AromaticContact CE1-ND1 3.95Å; Y300-H312 HydrophobicContact CE2-CB 4.48Å; Y300-H312 AromaticContact CE2-ND1 3.7Å; Y300-H312 HydrophobicContact CG-CB 4.37Å; Y300-H312 AromaticContact CZ-CD2 3.92Å; Y300-H312 AromaticContact CZ-CE1 3.98Å; Y300-H312 AromaticContact CZ-CG 3.45Å; Y300-H312 VanDerWaalsContact CZ-CG 3.45Å; Y300-H312 AromaticContact CZ-ND1 3.49Å; Y300-H312 PolarHBondContact N-O 2.68Å; Y300-H312 PolarHBondContact O-N 3.3Å; Y300-H312 PolarHBondContact OH-CD2 3.45Å; S302-H312 PolarHBondContact OG-CE1 3.14Å; S302-H312 VanDerWaalsContact OG-CE1 3.27Å; R310-H312 VanDerWaalsContact CB-CE1 3.47Å; R310-H312 WeakPolarHBondContact CB-CE1 3.28Å; R310-H312 PolarHBondContact O-ND1 3.17Å |
| 313 | Y | 91.1 | Very high | 86.5 | Confident | 69 Ų | 69 | 53.5 Ų | 53.5 | 27% | 0.271 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 126.7 | 172.4 | -75.2 | -82.7 | 0 | 0 | 0 | 110.3 | M1 I4 S39 V40 I311 | M1-Y313 WeakPolarHBondContact CB-O 3.4Å; M1-Y313 WeakPolarHBondContact CG-O 3.48Å; I4-Y313 HydrophobicContact CD1-CD2 4.22Å; I4-Y313 HydrophobicContact CD1-CE2 3.61Å; I4-Y313 HydrophobicContact CG1-CD2 4.43Å; I4-Y313 HydrophobicContact CG1-CE2 4.21Å; S39-Y313 PolarHBondContact O-OH 3.33Å; V40-Y313 WeakPolarHBondContact CA-OH 3.24Å; V40-Y313 PolarHBondContact N-OH 2.88Å; V40-Y313 PolarHBondContact O-OH 3.43Å; I311-Y313 HydrophobicContact CG2-CD2 4.36Å; I311-Y313 HydrophobicContact CG2-CE2 3.72Å |
| 314 | F | 90.2 | Very high | 84.8 | Confident | 16 Ų | 16 | 62.9 Ų | 62.9 | 7% | 0.07 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -70.1 | 132.4 | 173.1 | -66.1 | -65.2 | 0 | 0 | 0 | 109.7 | M1 F269 F293 G297 K298 Y300 Y318 F319 | M1-F314 HydrophobicContact CE-CD1 3.32Å; M1-F314 HydrophobicContact CE-CE1 3.65Å; M1-F314 HydrophobicContact SD-CD1 3.29Å; M1-F314 WeakPolarHBondContact SD-CD1 3.12Å; M1-F314 HydrophobicContact SD-CE1 3.69Å; M1-F314 HydrophobicContact SD-CG 4.16Å; F269-F314 HydrophobicContact CE1-CE1 4.06Å; F269-F314 AromaticContact CE1-CZ 3.93Å; F269-F314 HydrophobicContact CE1-CZ 3.93Å; F269-F314 HydrophobicContact CZ-CE1 4.1Å; F269-F314 HydrophobicContact CZ-CZ 4.13Å; F293-F314 HydrophobicContact CD1-CE2 4.36Å; F293-F314 AromaticContact CE1-CE2 3.97Å; F293-F314 HydrophobicContact CE1-CE2 3.97Å; F293-F314 AromaticContact CE1-CZ 3.89Å; F293-F314 HydrophobicContact CE1-CZ 3.89Å; G297-F314 VanDerWaalsContact O-CD2 3.25Å; G297-F314 WeakPolarHBondContact O-CD2 3.44Å; G297-F314 WeakPolarHBondContact O-CE2 3.31Å; K298-F314 VanDerWaalsContact C-CD2 3.44Å; K298-F314 VanDerWaalsContact O-CD2 3.32Å; K298-F314 WeakPolarHBondContact O-CD2 3.13Å; K298-F314 PolarHBondContact O-N 3.38Å; Y300-F314 AromaticContact CD1-CE1 3.84Å; Y300-F314 HydrophobicContact CD1-CE1 3.84Å; Y300-F314 AromaticContact CD1-CE2 3.95Å; Y300-F314 HydrophobicContact CD1-CE2 3.95Å; Y300-F314 AromaticContact CD1-CZ 3.31Å; Y300-F314 HydrophobicContact CD1-CZ 3.31Å; Y300-F314 HydrophobicContact CE1-CE1 4.06Å; Y300-F314 AromaticContact CE1-CZ 3.99Å; Y300-F314 HydrophobicContact CE1-CZ 3.99Å; Y300-F314 HydrophobicContact CG-CZ 4.15Å; F314-Y318 HydrophobicContact CB-CD1 3.88Å; F314-Y318 HydrophobicContact CB-CG 4.2Å; F314-Y318 AromaticContact CD1-CD1 3.49Å; F314-Y318 HydrophobicContact CD1-CD1 3.49Å; F314-Y318 VanDerWaalsContact CD1-CD1 3.49Å; F314-Y318 AromaticContact CD1-CD2 3.83Å; F314-Y318 HydrophobicContact CD1-CD2 3.83Å; F314-Y318 AromaticContact CD1-CE1 3.64Å; F314-Y318 HydrophobicContact CD1-CE1 3.64Å; F314-Y318 AromaticContact CD1-CE2 3.95Å; F314-Y318 HydrophobicContact CD1-CE2 3.95Å; F314-Y318 AromaticContact CD1-CG 3.59Å; F314-Y318 HydrophobicContact CD1-CG 3.59Å; F314-Y318 AromaticContact CD1-CZ 3.86Å; F314-Y318 HydrophobicContact CD2-CD1 4.34Å; F314-Y318 HydrophobicContact CD2-CE1 4.25Å; F314-Y318 HydrophobicContact CE1-CD1 4.14Å; F314-Y318 HydrophobicContact CE1-CD2 4.16Å; F314-Y318 AromaticContact CE1-CE1 3.81Å; F314-Y318 HydrophobicContact CE1-CE1 3.81Å; F314-Y318 AromaticContact CE1-CE2 3.82Å; F314-Y318 HydrophobicContact CE1-CE2 3.82Å; F314-Y318 HydrophobicContact CE1-CG 4.3Å; F314-Y318 AromaticContact CE1-CZ 3.63Å; F314-Y318 HydrophobicContact CE2-CE1 4.38Å; F314-Y318 AromaticContact CG-CD1 3.66Å; F314-Y318 HydrophobicContact CG-CD1 3.66Å; F314-Y318 AromaticContact CG-CE1 3.93Å; F314-Y318 HydrophobicContact CG-CE1 3.93Å; F314-Y318 HydrophobicContact CG-CG 4.11Å; F314-Y318 HydrophobicContact CZ-CE1 4.18Å; F314-F319 HydrophobicContact CB-CE2 3.8Å; F314-F319 HydrophobicContact CB-CZ 3.6Å; F314-F319 HydrophobicContact CD2-CZ 4.37Å; F314-F319 HydrophobicContact CG-CZ 4.3Å |
| 315 | D | 87.1 | Confident | 82.8 | Confident | 75 Ų | 75 | 70.4 Ų | 70.4 | 40% | 0.401 | 37% | 0.365 | S | S | . | . | P | Polyproline II helix | trans | -77.3 | 153.4 | 171.1 | -60.3 | -49.1 | 0 | 0 | 0 | 108.8 | M1 Q317 Y318 | M1-D315 WeakPolarHBondContact CA-OD2 3.25Å; M1-D315 PolarHBondContact N-OD2 2.89Å; D315-Q317 PolarHBondContact O-N 3.49Å; D315-Y318 VanDerWaalsContact O-CB 3.24Å; D315-Y318 WeakPolarHBondContact O-CB 3.41Å; D315-Y318 PolarHBondContact O-N 3.39Å |
| 316 | P | 85.3 | Confident | 82.5 | Confident | 96 Ų | 96 | 70.9 Ų | 70.9 | 62% | 0.623 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -50.5 | -36.3 | 179.5 | -30.6 | 36.8 | 0 | 0 | 0 | 114.4 | Y318 F319 D320 | P316-Y318 PolarHBondContact O-N 2.95Å; P316-Y318 VanDerWaalsContact O-N 3.09Å; P316-F319 PolarHBondContact O-N 3.1Å; P316-D320 PolarHBondContact O-N 2.98Å |
| 317 | Q | 85 | Confident | 82.3 | Confident | 158 Ų | 158 | 72.7 Ų | 72.7 | 74% | 0.738 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -58.7 | -22.3 | 177.4 | -64.7 | 173.8 | 0.2 | 0 | 0 | 114.2 | D315 F321 | D315-Q317 PolarHBondContact O-N 3.49Å; Q317-F321 PolarHBondContact O-N 2.78Å |
| 318 | Y | 85.1 | Confident | 82 | Confident | 22 Ų | 22 | 76.7 Ų | 76.7 | 9% | 0.086 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -70.5 | -33.9 | 175.3 | 175.3 | -97 | 0 | 0 | 0 | 112 | M1 H243 F278 F314 D315 P316 F321 | M1-Y318 HydrophobicContact CE-CD2 4.02Å; M1-Y318 HydrophobicContact CE-CG 4.49Å; H243-Y318 AromaticContact ND1-CZ 3.52Å; H243-Y318 PolarHBondContact ND1-OH 2.79Å; F278-Y318 AromaticContact CE2-CE2 3.86Å; F278-Y318 HydrophobicContact CE2-CE2 3.86Å; F278-Y318 HydrophobicContact CZ-CE2 4.09Å; F314-Y318 HydrophobicContact CB-CD1 3.88Å; F314-Y318 HydrophobicContact CB-CG 4.2Å; F314-Y318 AromaticContact CD1-CD1 3.49Å; F314-Y318 HydrophobicContact CD1-CD1 3.49Å; F314-Y318 VanDerWaalsContact CD1-CD1 3.49Å; F314-Y318 AromaticContact CD1-CD2 3.83Å; F314-Y318 HydrophobicContact CD1-CD2 3.83Å; F314-Y318 AromaticContact CD1-CE1 3.64Å; F314-Y318 HydrophobicContact CD1-CE1 3.64Å; F314-Y318 AromaticContact CD1-CE2 3.95Å; F314-Y318 HydrophobicContact CD1-CE2 3.95Å; F314-Y318 AromaticContact CD1-CG 3.59Å; F314-Y318 HydrophobicContact CD1-CG 3.59Å; F314-Y318 AromaticContact CD1-CZ 3.86Å; F314-Y318 HydrophobicContact CD2-CD1 4.34Å; F314-Y318 HydrophobicContact CD2-CE1 4.25Å; F314-Y318 HydrophobicContact CE1-CD1 4.14Å; F314-Y318 HydrophobicContact CE1-CD2 4.16Å; F314-Y318 AromaticContact CE1-CE1 3.81Å; F314-Y318 HydrophobicContact CE1-CE1 3.81Å; F314-Y318 AromaticContact CE1-CE2 3.82Å; F314-Y318 HydrophobicContact CE1-CE2 3.82Å; F314-Y318 HydrophobicContact CE1-CG 4.3Å; F314-Y318 AromaticContact CE1-CZ 3.63Å; F314-Y318 HydrophobicContact CE2-CE1 4.38Å; F314-Y318 AromaticContact CG-CD1 3.66Å; F314-Y318 HydrophobicContact CG-CD1 3.66Å; F314-Y318 AromaticContact CG-CE1 3.93Å; F314-Y318 HydrophobicContact CG-CE1 3.93Å; F314-Y318 HydrophobicContact CG-CG 4.11Å; F314-Y318 HydrophobicContact CZ-CE1 4.18Å; D315-Y318 VanDerWaalsContact O-CB 3.24Å; D315-Y318 WeakPolarHBondContact O-CB 3.41Å; D315-Y318 PolarHBondContact O-N 3.39Å; P316-Y318 PolarHBondContact O-N 2.95Å; P316-Y318 VanDerWaalsContact O-N 3.09Å; Y318-F321 WeakPolarHBondContact O-CB 3.11Å; Y318-F321 PolarHBondContact O-N 3.31Å |
| 319 | F | 84.4 | Confident | 81.4 | Confident | 63 Ų | 63 | 76.8 Ų | 76.8 | 28% | 0.276 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -80.4 | -24.8 | 179.7 | -56 | -74 | 0 | 0 | 0 | 112.2 | M241 K298 F314 P316 F321 | M241-F319 HydrophobicContact CG-CD1 4.39Å; K298-F319 HydrophobicContact CG-CZ 4.37Å; F314-F319 HydrophobicContact CB-CE2 3.8Å; F314-F319 HydrophobicContact CB-CZ 3.6Å; F314-F319 HydrophobicContact CD2-CZ 4.37Å; F314-F319 HydrophobicContact CG-CZ 4.3Å; P316-F319 PolarHBondContact O-N 3.1Å; F319-F321 PolarHBondContact O-N 3.48Å |
| 320 | D | 81.9 | Confident | 80.6 | Confident | 130 Ų | 130 | 81.5 Ų | 81.5 | 70% | 0.695 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -1.2 | 173.3 | -58.7 | -34.3 | 0 | 0 | 0 | 112.4 | P316 E322 | P316-D320 PolarHBondContact O-N 2.98Å; D320-E322 PolarHBondContact O-N 3.33Å |
| 321 | F | 75.4 | Confident | 79.7 | Confident | 81 Ų | 81 | 86.3 Ų | 86.3 | 36% | 0.355 | 46% | 0.457 | S | S | . | . | trans | -78.1 | 105.8 | -179.4 | -176.2 | -98.3 | 0 | 0 | 0 | 110.5 | F278 Q317 Y318 F319 L323 | F278-F321 HydrophobicContact CB-CE1 3.98Å; F278-F321 HydrophobicContact CB-CZ 4.17Å; F278-F321 HydrophobicContact CD2-CD1 4.14Å; F278-F321 AromaticContact CD2-CE1 3.69Å; F278-F321 HydrophobicContact CD2-CE1 3.69Å; F278-F321 HydrophobicContact CD2-CZ 4.28Å; F278-F321 HydrophobicContact CE2-CD1 4.38Å; F278-F321 HydrophobicContact CE2-CE1 4.36Å; F278-F321 AromaticContact CG-CE1 3.93Å; F278-F321 HydrophobicContact CG-CE1 3.93Å; Q317-F321 PolarHBondContact O-N 2.78Å; Y318-F321 WeakPolarHBondContact O-CB 3.11Å; Y318-F321 PolarHBondContact O-N 3.31Å; F319-F321 PolarHBondContact O-N 3.48Å; F321-L323 HydrophobicContact CE1-CD1 3.93Å; F321-L323 HydrophobicContact CE1-CG 3.91Å; F321-L323 HydrophobicContact CZ-CG 4.1Å | ||
| 322 | E | 69.7 | Low | 78.7 | Confident | 174 Ų | 174 | 92.5 Ų | 92.5 | 81% | 0.813 | 49% | 0.489 | S | S | * | . | trans | -104.3 | 131.3 | 162.2 | -69.9 | -175.7 | 162.2 | 0 | 0 | 108.6 | D320 E324 | D320-E322 PolarHBondContact O-N 3.33Å; E322-E324 PolarHBondContact O-N 3.19Å | ||
| 323 | L | 65.1 | Low | 77.6 | Confident | 53 Ų | 53 | 99.5 Ų | 99.5 | 28% | 0.277 | 53% | 0.526 | S | S | . | . | trans | -65.9 | 119.6 | 168 | -99.3 | 131.3 | 0 | 0 | 0 | 108 | H271 F278 F321 A325 | H271-L323 HydrophobicContact CB-CD1 4.05Å; F278-L323 HydrophobicContact CB-CD1 4.19Å; F321-L323 HydrophobicContact CE1-CD1 3.93Å; F321-L323 HydrophobicContact CE1-CG 3.91Å; F321-L323 HydrophobicContact CZ-CG 4.1Å; L323-A325 PolarHBondContact O-N 3.34Å; L323-A325 VanDerWaalsContact O-N 3.14Å | ||
| 324 | E | 60.3 | Low | 76.5 | Confident | 197 Ų | 197 | 102 Ų | 102 | 92% | 0.921 | 55% | 0.548 | S | S | * | . | trans | -61 | 115.8 | 168.9 | -71 | 176.9 | 158.4 | 0 | 0 | 108.1 | E322 | E322-E324 PolarHBondContact O-N 3.19Š| ||
| 325 | A | 48.1 | Very low | 75.2 | Confident | 159 Ų | 159 | 109.8 Ų | 109.8 | 100% | 1.314 | 59% | 0.591 | S | S | * | * | trans | -73.1 | 0 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | L323 | L323-A325 PolarHBondContact O-N 3.34Å; L323-A325 VanDerWaalsContact O-N 3.14Å |
Retrieved 325 of 325 residues in 375.5 ms
(Link to these results)