| 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 | 86.8 | Confident | 94.2 | Very high | 155 Ų | 155 | 74.3 Ų | 74.3 | 76% | 0.764 | 34% | 0.341 | S | S | * | . | 0 | 141.2 | 0 | -178.7 | -176.1 | -77.3 | 0 | 0 | 106.9 | Y298 V336 | M1-Y298 HydrophobicContact CG-CD2 4.28Å; M1-Y298 HydrophobicContact CG-CE2 4.01Å; M1-V336 PolarHBondContact O-N 2.62Å; M1-V336 VanDerWaalsContact O-N 3.17Å | |||
| 2 | Y | 96.3 | Very high | 94.4 | Very high | 10 Ų | 10 | 69.9 Ų | 69.9 | 4% | 0.039 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 150 | -179.9 | -68 | -96.5 | 0 | 0 | 0 | 111.7 | V280 Y298 G317 F320 T334 Q335 | Y2-V280 HydrophobicContact CD2-CG2 4.34Å; Y2-V280 HydrophobicContact CE2-CB 4.4Å; Y2-V280 HydrophobicContact CE2-CG1 4.24Å; Y2-V280 HydrophobicContact CE2-CG2 3.85Å; Y2-Y298 AromaticContact CD2-CD1 3.67Å; Y2-Y298 HydrophobicContact CD2-CD1 3.67Å; Y2-Y298 AromaticContact CD2-CE1 3.95Å; Y2-Y298 HydrophobicContact CD2-CE1 3.95Å; Y2-Y298 HydrophobicContact CD2-CG 4.11Å; Y2-Y298 HydrophobicContact CE2-CD1 4.47Å; Y2-Y298 HydrophobicContact CG-CD1 4.41Å; Y2-Y298 HydrophobicContact CG-CE1 4.24Å; Y2-Y298 PolarHBondContact O-OH 3.15Å; Y2-G317 WeakPolarHBondContact CE1-O 3.37Å; Y2-G317 PolarHBondContact OH-O 3.07Å; Y2-F320 AromaticContact CD1-CD1 3.57Å; Y2-F320 HydrophobicContact CD1-CD1 3.57Å; Y2-F320 AromaticContact CD1-CE1 3.39Å; Y2-F320 HydrophobicContact CD1-CE1 3.39Å; Y2-F320 AromaticContact CD2-CE1 3.87Å; Y2-F320 HydrophobicContact CD2-CE1 3.87Å; Y2-F320 AromaticContact CE1-CD1 3.46Å; Y2-F320 HydrophobicContact CE1-CD1 3.46Å; Y2-F320 VanDerWaalsContact CE1-CD1 3.46Å; Y2-F320 AromaticContact CE1-CE1 3.7Å; Y2-F320 HydrophobicContact CE1-CE1 3.7Å; Y2-F320 HydrophobicContact CE2-CD1 4.47Å; Y2-F320 HydrophobicContact CE2-CE1 4.15Å; Y2-F320 HydrophobicContact CG-CD1 4.13Å; Y2-F320 AromaticContact CG-CE1 3.48Å; Y2-F320 HydrophobicContact CG-CE1 3.48Å; Y2-F320 VanDerWaalsContact CG-CE1 3.48Å; Y2-F320 HydrophobicContact CG-CZ 4.43Å; Y2-F320 AromaticContact CZ-CD1 3.94Å; Y2-T334 CarbonylContact C-O 3.51Å; Y2-T334 VanDerWaalsContact CA-O 3.28Å; Y2-T334 WeakPolarHBondContact CA-O 3.07Å; Y2-Q335 HydrophobicContact CD1-CG 3.71Å; Y2-Q335 HydrophobicContact CD2-CG 4.32Å; Y2-Q335 HydrophobicContact CE1-CB 4.46Å; Y2-Q335 HydrophobicContact CE1-CG 3.3Å; Y2-Q335 HydrophobicContact CE2-CG 3.96Å; Y2-Q335 HydrophobicContact CG-CG 4.2Å; Y2-Q335 VanDerWaalsContact CZ-CG 3.45Å; Y2-Q335 VanDerWaalsContact CZ-NE2 3.31Å; Y2-Q335 PolarHBondContact OH-NE2 2.97Å |
| 3 | H | 94.9 | Very high | 94.6 | Very high | 89 Ų | 89 | 65.5 Ų | 65.5 | 41% | 0.412 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 139.9 | 176.7 | -62.7 | 79.1 | 0 | 0 | 0 | 109.9 | E5 Y333 T334 V336 | H3-E5 PolarHBondContact O-N 3.37Å; H3-Y333 CarbonylContact O-C 3.6Å; H3-Y333 VanDerWaalsContact O-CA 3.24Å; H3-Y333 WeakPolarHBondContact O-CA 3.5Å; H3-T334 PolarHBondContact N-O 3.45Å; H3-T334 PolarHBondContact O-N 3.4Å; H3-V336 HydrophobicContact CB-CG2 4.43Å; H3-V336 VanDerWaalsContact CE1-CG2 3.5Å; H3-V336 WeakPolarHBondContact CE1-CG2 3.48Å; H3-V336 WeakPolarHBondContact ND1-CG2 3.31Å |
| 4 | K | 95.2 | Very high | 94.8 | Very high | 115 Ų | 115 | 60.9 Ų | 60.9 | 50% | 0.5 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 124.5 | 177.2 | -178.7 | 169.2 | 171.2 | 166.7 | 0 | 110.5 | I331 R332 Y333 | K4-I331 HydrophobicContact CD-CG2 3.99Å; K4-I331 HydrophobicContact CG-CG2 4.11Å; K4-R332 WeakPolarHBondContact CA-O 3.13Å; K4-Y333 HydrophobicContact CB-CD1 3.97Å; K4-Y333 HydrophobicContact CB-CE1 3.62Å; K4-Y333 HydrophobicContact CG-CE1 4.17Å |
| 5 | E | 93.9 | Very high | 95 | Very high | 58 Ų | 58 | 58.3 Ų | 58.3 | 27% | 0.271 | 28% | 0.277 | S | S | . | . | trans | -89.5 | 176.6 | 169.4 | -65.1 | -169.8 | 149.5 | 0 | 0 | 111 | H3 S7 R332 T334 | H3-E5 PolarHBondContact O-N 3.37Å; E5-S7 PolarHBondContact O-N 3.39Å; E5-R332 HydrophobicContact CB-CB 4.23Å; E5-R332 PolarHBondContact N-O 2.8Å; E5-R332 IonicContact OE2-CZ 3.68Å; E5-R332 IonicContact OE2-NE 2.66Å; E5-R332 IonicContact OE2-NH2 3.19Å; E5-R332 PolarHBondContact OE2-NH2 2.75Å; E5-T334 VanDerWaalsContact CD-OG1 3.24Å; E5-T334 HydrophobicContact CG-CG2 4.1Å; E5-T334 WeakPolarHBondContact CG-OG1 3.25Å; E5-T334 WeakPolarHBondContact OE1-CB 3.49Å; E5-T334 WeakPolarHBondContact OE1-CG2 3.34Å; E5-T334 PolarHBondContact OE1-OG1 2.82Å; E5-T334 WeakPolarHBondContact OE2-CG2 3.12Å | ||
| 6 | K | 92.8 | Very high | 95.1 | Very high | 151 Ų | 151 | 57.2 Ų | 57.2 | 66% | 0.657 | 28% | 0.281 | S | S | * | . | P | Polyproline II helix | trans | -60.6 | 123.5 | 171.3 | -173.2 | 179 | 179 | -175.9 | 0 | 109.7 | ||
| 7 | S | 94.6 | Very high | 95.2 | Very high | 13 Ų | 13 | 55.4 Ų | 55.4 | 9% | 0.091 | 27% | 0.272 | C | S | . | . | P | Polyproline II helix | trans | -61.1 | 145.8 | 175.8 | -55 | 0 | 0 | 0 | 0 | 111.6 | E5 E329 I330 | E5-S7 PolarHBondContact O-N 3.39Å; S7-E329 WeakPolarHBondContact CB-OE2 3Å; S7-E329 VanDerWaalsContact OG-CD 3.32Å; S7-E329 PolarHBondContact OG-OE1 3.2Å; S7-E329 VanDerWaalsContact OG-OE1 3.14Å; S7-E329 PolarHBondContact OG-OE2 3.01Å; S7-I330 CarbonylContact C-O 3.6Å; S7-I330 WeakPolarHBondContact CA-O 3.24Å |
| 8 | I | 95.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 119 | 175.1 | -60.5 | 168.1 | 0 | 0 | 0 | 108.2 | F34 V45 A47 Y54 E329 I330 R332 | I8-F34 HydrophobicContact CD1-CD2 4.33Å; I8-F34 HydrophobicContact CD1-CE2 3.8Å; I8-F34 HydrophobicContact CD1-CZ 4.34Å; I8-V45 HydrophobicContact CG2-CG1 3.55Å; I8-A47 HydrophobicContact CD1-CB 3.65Å; I8-Y54 HydrophobicContact CG1-CD1 4.41Å; I8-Y54 HydrophobicContact CG2-CD1 3.9Å; I8-Y54 HydrophobicContact CG2-CD2 4.11Å; I8-Y54 HydrophobicContact CG2-CE1 4.23Å; I8-Y54 HydrophobicContact CG2-CE2 4.44Å; I8-Y54 HydrophobicContact CG2-CG 3.82Å; I8-E329 CarbonylContact O-C 3.59Å; I8-E329 VanDerWaalsContact O-CA 3.24Å; I8-E329 WeakPolarHBondContact O-CA 3.39Å; I8-I330 HydrophobicContact CB-CB 4.3Å; I8-I330 PolarHBondContact N-O 3.26Å; I8-I330 PolarHBondContact O-N 3.2Å; I8-R332 HydrophobicContact CD1-CG 4.21Å |
| 9 | Q | 95.8 | Very high | 95.2 | Very high | 84 Ų | 84 | 51.8 Ų | 51.8 | 39% | 0.393 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 153.8 | -179.6 | -61 | -58.3 | -59.2 | 0 | 0 | 111.6 | H56 E329 | Q9-H56 PolarHBondContact O-CE1 2.84Å; Q9-H56 PolarHBondContact O-ND1 2.85Å; Q9-E329 PolarHBondContact NE2-OE2 2.61Å |
| 10 | M | 95.6 | Very high | 95.4 | Very high | 15 Ų | 15 | 49.5 Ų | 49.5 | 7% | 0.074 | 24% | 0.242 | C | C | . | . | trans | -123.1 | 160.5 | 173.6 | -60.3 | -170.8 | -67.8 | 0 | 0 | 109.8 | S12 V36 N43 V45 L327 S328 I330 | M10-S12 VanDerWaalsContact C-N 3.34Å; M10-S12 WeakPolarHBondContact CB-O 3.48Å; M10-V36 HydrophobicContact CE-CB 4.44Å; M10-V36 HydrophobicContact CE-CG1 4.13Å; M10-V36 HydrophobicContact SD-CB 3.7Å; M10-V36 HydrophobicContact SD-CG1 4.05Å; M10-V36 HydrophobicContact SD-CG2 3.58Å; M10-V36 VanDerWaalsContact SD-CG2 3.58Å; M10-N43 HydrophobicContact SD-CB 4.18Å; M10-V45 HydrophobicContact CG-CG2 4.29Å; M10-L327 WeakPolarHBondContact CE-O 3.22Å; M10-S328 PolarHBondContact N-O 3.49Å; M10-I330 HydrophobicContact CE-CG1 4.41Å; M10-I330 HydrophobicContact CG-CD1 4.23Å; M10-I330 HydrophobicContact CG-CG1 4.02Å; M10-I330 HydrophobicContact SD-CD1 4.01Å; M10-I330 HydrophobicContact SD-CG1 3.66Å | ||
| 11 | K | 94.8 | Very high | 95.5 | Very high | 127 Ų | 127 | 47.2 Ų | 47.2 | 55% | 0.552 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -76.6 | -22 | 177.3 | -76.4 | -176.9 | 171.8 | 177.3 | 0 | 113.3 | H56 Q58 | K11-H56 HydrophobicContact CD-CB 4.17Å; K11-H56 HydrophobicContact CG-CB 4.26Å; K11-Q58 HydrophobicContact CB-CG 4.36Å; K11-Q58 HydrophobicContact CD-CG 4.27Å |
| 12 | S | 96.3 | Very high | 96.1 | Very high | 22 Ų | 22 | 40.5 Ų | 40.5 | 15% | 0.154 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -146.5 | 160.6 | 178.5 | -53.2 | 0 | 0 | 0 | 0 | 109.6 | M10 N43 Q58 | M10-S12 VanDerWaalsContact C-N 3.34Å; M10-S12 WeakPolarHBondContact CB-O 3.48Å; S12-N43 PolarHBondContact N-OD1 2.83Å; S12-N43 PolarHBondContact O-ND2 2.78Å; S12-N43 VanDerWaalsContact O-ND2 3.13Å; S12-Q58 PolarHBondContact OG-NE2 2.96Å |
| 13 | S | 97.1 | Very high | 96.2 | Very high | 13 Ų | 13 | 41.4 Ų | 41.4 | 9% | 0.091 | 21% | 0.206 | C | C | . | . | P | Polyproline II helix | trans | -71.8 | 172.3 | -177 | 62.6 | 0 | 0 | 0 | 0 | 113.7 | H38 D326 L327 S328 | S13-H38 WeakPolarHBondContact O-CB 3.47Å; S13-H38 VanDerWaalsContact O-CG 3.24Å; S13-H38 PolarHBondContact O-ND1 2.82Å; S13-H38 PolarHBondContact OG-CE1 2.98Å; S13-H38 PolarHBondContact OG-ND1 3.32Å; S13-H38 VanDerWaalsContact OG-ND1 3.15Å; S13-D326 VanDerWaalsContact CB-CA 3.5Å; S13-D326 WeakPolarHBondContact CB-O 3.18Å; S13-L327 CarbonylContact C-O 3.5Å; S13-L327 VanDerWaalsContact CA-O 3.29Å; S13-L327 WeakPolarHBondContact CA-O 3.06Å; S13-S328 WeakPolarHBondContact CA-OG 3.24Å; S13-S328 PolarHBondContact N-OG 3.37Å |
| 14 | A | 97.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.188 | C | C | . | . | B | Isolated β-bridge | trans | -87.5 | 140.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | V36 G324 Y325 D326 L327 | A14-V36 HydrophobicContact CB-CG1 3.46Å; A14-V36 VanDerWaalsContact CB-CG1 3.46Å; A14-G324 VanDerWaalsContact CB-O 3.29Å; A14-G324 WeakPolarHBondContact CB-O 3.18Å; A14-Y325 WeakPolarHBondContact O-CD2 3.4Å; A14-D326 PolarHBondContact O-N 2.88Å; A14-D326 VanDerWaalsContact O-N 3.08Å; A14-L327 PolarHBondContact N-O 3.2Å; A14-L327 VanDerWaalsContact N-O 3.12Å |
| 15 | S | 97.8 | Very high | 96.2 | Very high | 22 Ų | 22 | 37.1 Ų | 37.1 | 15% | 0.154 | 18% | 0.183 | C | C | . | . | P | Polyproline II helix | trans | -75.9 | 154.1 | 167.5 | -67.1 | 0 | 0 | 0 | 0 | 112.4 | L17 N20 V37 H38 A39 C308 | S15-L17 PolarHBondContact O-N 3.2Å; S15-N20 PolarHBondContact N-ND2 3.25Å; S15-N20 PolarHBondContact O-ND2 2.72Å; S15-V37 PolarHBondContact N-O 3.08Å; S15-H38 WeakPolarHBondContact OG-CA 3.32Å; S15-A39 PolarHBondContact OG-N 2.84Å; S15-C308 PolarHBondContact O-SG 2.82Å |
| 16 | A | 96.3 | Very high | 96.1 | Very high | 41 Ų | 41 | 36 Ų | 36 | 34% | 0.339 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -75.6 | 70.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y325 | A16-Y325 HydrophobicContact CB-CD2 3.55Å; A16-Y325 HydrophobicContact CB-CE2 3.91Å; A16-Y325 HydrophobicContact CB-CG 4Å; A16-Y325 VanDerWaalsContact N-CD2 3.32Å |
| 17 | L | 96.4 | Very high | 95.9 | Very high | 26 Ų | 26 | 31.5 Ų | 31.5 | 14% | 0.136 | 17% | 0.17 | C | C | . | . | trans | -118.9 | 149.6 | 178.8 | -55.3 | 171.6 | 0 | 0 | 0 | 109.3 | S15 N20 V37 I73 | S15-L17 PolarHBondContact O-N 3.2Å; L17-N20 HydrophobicContact CB-CB 4.16Å; L17-N20 WeakPolarHBondContact O-CB 3.2Å; L17-V37 HydrophobicContact CD1-CB 3.93Å; L17-V37 HydrophobicContact CD1-CG1 3.62Å; L17-I73 WeakPolarHBondContact CD1-O 3.4Å | ||
| 18 | Y | 93.8 | Very high | 95.6 | Very high | 36 Ų | 36 | 37 Ų | 37 | 14% | 0.141 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | 145.4 | 171.2 | -49.1 | -44.6 | 0 | 0 | 0 | 110.4 | N20 W256 Y258 | Y18-N20 PolarHBondContact O-N 2.76Å; Y18-N20 VanDerWaalsContact O-N 3.12Å; Y18-W256 WeakPolarHBondContact OH-CZ2 3.2Å; Y18-Y258 AromaticContact CD1-CD1 3.6Å; Y18-Y258 HydrophobicContact CD1-CD1 3.6Å; Y18-Y258 AromaticContact CD1-CE1 3.67Å; Y18-Y258 HydrophobicContact CD1-CE1 3.67Å; Y18-Y258 HydrophobicContact CD1-CG 4.13Å; Y18-Y258 HydrophobicContact CE1-CD1 4.16Å; Y18-Y258 AromaticContact CE1-CE1 3.82Å; Y18-Y258 HydrophobicContact CE1-CE1 3.82Å; Y18-Y258 HydrophobicContact CE1-CE2 4.44Å; Y18-Y258 AromaticContact CE1-CZ 3.97Å |
| 19 | N | 97.9 | Very high | 95.1 | Very high | 8 Ų | 8 | 45.6 Ų | 45.6 | 4% | 0.043 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.3 | 38.2 | 177.3 | -59.9 | -58.7 | 0 | 0 | 0 | 113.1 | L21 D171 S218 S219 Y258 S259 C308 | N19-L21 PolarHBondContact O-N 3.45Å; N19-D171 PolarHBondContact ND2-OD2 2.94Å; N19-D171 VanDerWaalsContact ND2-OD2 3.14Å; N19-S218 PolarHBondContact ND2-O 2.81Å; N19-S219 PolarHBondContact ND2-OG 2.84Å; N19-S219 PolarHBondContact OD1-OG 2.88Å; N19-S219 VanDerWaalsContact OD1-OG 3.05Å; N19-Y258 PolarHBondContact N-O 2.77Å; N19-S259 WeakPolarHBondContact OD1-CA 3.43Å; N19-S259 PolarHBondContact OD1-OG 2.57Å; N19-C308 PolarHBondContact N-O 3.19Å |
| 20 | N | 98.3 | Very high | 94.9 | Very high | 5 Ų | 5 | 44.4 Ų | 44.4 | 3% | 0.027 | 24% | 0.239 | C | C | . | . | trans | -80.3 | 52.8 | -177.6 | -165 | 12.6 | 0 | 0 | 0 | 112.7 | S15 L17 Y18 V37 C308 T323 | S15-N20 PolarHBondContact N-ND2 3.25Å; S15-N20 PolarHBondContact O-ND2 2.72Å; L17-N20 HydrophobicContact CB-CB 4.16Å; L17-N20 WeakPolarHBondContact O-CB 3.2Å; Y18-N20 PolarHBondContact O-N 2.76Å; Y18-N20 VanDerWaalsContact O-N 3.12Å; N20-V37 PolarHBondContact ND2-O 3.31Å; N20-V37 WeakPolarHBondContact OD1-CA 3.46Å; N20-V37 VanDerWaalsContact OD1-CB 3.26Å; N20-V37 WeakPolarHBondContact OD1-CB 3.08Å; N20-V37 PolarHBondContact OD1-N 3Å; N20-C308 HydrophobicContact CB-CB 3.85Å; N20-C308 PolarHBondContact N-O 3.15Å; N20-T323 PolarHBondContact O-OG1 3.11Å | ||
| 21 | L | 98.6 | Very high | 94.8 | Very high | 2 Ų | 2 | 45.7 Ų | 45.7 | 1% | 0.01 | 25% | 0.246 | C | C | . | . | trans | -161.6 | 122.3 | 171 | -178.7 | 58.2 | 0 | 0 | 0 | 107.4 | N19 V23 F34 T35 V36 K311 A321 T323 | N19-L21 PolarHBondContact O-N 3.45Å; L21-V23 HydrophobicContact CG-CG2 4.33Å; L21-F34 HydrophobicContact CD1-CB 4.44Å; L21-F34 HydrophobicContact CD1-CD1 4.1Å; L21-T35 WeakPolarHBondContact CA-O 3.48Å; L21-V36 HydrophobicContact CD1-CG2 3.98Å; L21-K311 HydrophobicContact CB-CG 4.2Å; L21-K311 HydrophobicContact CD2-CB 4.07Å; L21-K311 HydrophobicContact CD2-CG 4.27Å; L21-K311 HydrophobicContact CG-CB 4.2Å; L21-K311 HydrophobicContact CG-CG 3.98Å; L21-K311 WeakPolarHBondContact O-CE 3.42Å; L21-K311 WeakPolarHBondContact O-CG 3.4Å; L21-A321 HydrophobicContact CD2-CB 3.92Å; L21-A321 WeakPolarHBondContact CD2-O 3.22Å; L21-T323 HydrophobicContact CB-CG2 4.33Å; L21-T323 HydrophobicContact CD1-CG2 3.89Å; L21-T323 HydrophobicContact CD2-CG2 4.32Å; L21-T323 HydrophobicContact CG-CG2 4.41Å | ||
| 22 | S | 98.3 | Very high | 94.9 | Very high | 14 Ų | 14 | 39.8 Ų | 39.8 | 10% | 0.098 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 150.7 | 165.2 | -165.2 | 0 | 0 | 0 | 0 | 109.3 | F34 T35 A76 A77 W78 | S22-F34 WeakPolarHBondContact O-CA 3.4Å; S22-T35 VanDerWaalsContact CB-OG1 3.25Å; S22-T35 WeakPolarHBondContact CB-OG1 3.22Å; S22-T35 PolarHBondContact N-O 3.2Å; S22-T35 VanDerWaalsContact N-O 3.11Å; S22-T35 PolarHBondContact O-N 3.06Å; S22-A76 WeakPolarHBondContact CB-O 3.44Å; S22-A77 WeakPolarHBondContact OG-CA 3.28Å; S22-W78 WeakPolarHBondContact O-CZ3 3.25Å; S22-W78 PolarHBondContact OG-N 3.25Å |
| 23 | V | 97.8 | Very high | 94.9 | Very high | 29 Ų | 29 | 41.2 Ų | 41.2 | 18% | 0.176 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 132.8 | -176.9 | -175.7 | 0 | 0 | 0 | 0 | 109.3 | L21 T32 Y33 F34 K311 | L21-V23 HydrophobicContact CG-CG2 4.33Å; V23-T32 HydrophobicContact CG1-CG2 3.39Å; V23-Y33 CarbonylContact C-O 3.49Å; V23-Y33 WeakPolarHBondContact CA-O 3.4Å; V23-F34 HydrophobicContact CG1-CD1 4.45Å; V23-F34 HydrophobicContact CG1-CE1 4.18Å; V23-F34 HydrophobicContact CG2-CD1 3.78Å; V23-F34 HydrophobicContact CG2-CE1 3.9Å; V23-K311 HydrophobicContact CB-CB 4.44Å; V23-K311 HydrophobicContact CG2-CB 3.54Å; V23-K311 HydrophobicContact CG2-CG 4.14Å |
| 24 | L | 96.8 | Very high | 95 | Very high | 10 Ų | 10 | 40.6 Ų | 40.6 | 5% | 0.052 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 114.4 | 171.5 | 175.1 | 66.3 | 0 | 0 | 0 | 109.5 | I26 Y33 W78 V80 D85 | L24-I26 HydrophobicContact CD1-CD1 4.29Å; L24-I26 HydrophobicContact CD2-CD1 3.91Å; L24-I26 HydrophobicContact CG-CD1 3.81Å; L24-I26 HydrophobicContact CG-CG1 4.46Å; L24-Y33 PolarHBondContact N-O 2.85Å; L24-Y33 PolarHBondContact O-N 2.52Å; L24-W78 HydrophobicContact CB-CB 4.23Å; L24-W78 HydrophobicContact CB-CD2 3.49Å; L24-W78 VanDerWaalsContact CB-CD2 3.49Å; L24-W78 HydrophobicContact CB-CE3 3.55Å; L24-W78 HydrophobicContact CB-CG 3.8Å; L24-W78 HydrophobicContact CB-CZ2 4.48Å; L24-W78 HydrophobicContact CB-CZ3 4.08Å; L24-W78 HydrophobicContact CD2-CD2 4.09Å; L24-W78 HydrophobicContact CD2-CG 3.85Å; L24-W78 HydrophobicContact CG-CD2 4.4Å; L24-W78 HydrophobicContact CG-CG 4.33Å; L24-V80 HydrophobicContact CD1-CG2 3.53Å; L24-D85 HydrophobicContact CD2-CB 4.38Å |
| 25 | R | 93.8 | Very high | 95 | Very high | 103 Ų | 103 | 40.7 Ų | 40.7 | 39% | 0.389 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 121.9 | 178.1 | -175.5 | 175.3 | 176.6 | 152.2 | 0.4 | 110.5 | W49 C313 | R25-W49 HydrophobicContact CG-CZ2 4.12Å; R25-W49 VanDerWaalsContact NH2-CZ3 3.33Å; R25-C313 WeakPolarHBondContact CD-O 3.21Å |
| 26 | I | 91.9 | Very high | 95 | Very high | 34 Ų | 34 | 39.6 Ų | 39.6 | 17% | 0.174 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 88.8 | 176.3 | -54.1 | -59.2 | 0 | 0 | 0 | 109.3 | L24 R29 S30 L31 Y33 | L24-I26 HydrophobicContact CD1-CD1 4.29Å; L24-I26 HydrophobicContact CD2-CD1 3.91Å; L24-I26 HydrophobicContact CG-CD1 3.81Å; L24-I26 HydrophobicContact CG-CG1 4.46Å; I26-R29 HydrophobicContact CG2-CB 4.06Å; I26-R29 HydrophobicContact CG2-CG 4.07Å; I26-R29 PolarHBondContact O-N 2.78Å; I26-S30 PolarHBondContact O-N 3.14Å; I26-L31 HydrophobicContact CB-CB 4.45Å; I26-L31 PolarHBondContact N-O 3.38Å; I26-L31 PolarHBondContact O-N 3.44Å; I26-Y33 HydrophobicContact CG1-CD2 3.79Å; I26-Y33 HydrophobicContact CG1-CE2 3.75Å |
| 27 | A | 87.9 | Confident | 95.1 | Very high | 58 Ų | 58 | 37.7 Ų | 37.7 | 48% | 0.479 | 20% | 0.195 | S | C | . | . | G | 310 helix | trans | -57.4 | -44.6 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | R29 S30 W49 | A27-R29 PolarHBondContact O-N 3.23Å; A27-S30 PolarHBondContact O-N 3.24Å; A27-W49 HydrophobicContact CB-CH2 4.31Å; A27-W49 HydrophobicContact CB-CZ2 4.2Å |
| 28 | P | 88.3 | Confident | 95.2 | Very high | 127 Ų | 127 | 38.7 Ų | 38.7 | 83% | 0.825 | 20% | 0.199 | S | C | * | . | G | 310 helix | trans | -63.6 | -16.4 | -178.7 | -24.4 | 35.5 | 0 | 0 | 0 | 114.8 | ||
| 29 | R | 86.8 | Confident | 95.3 | Very high | 182 Ų | 182 | 38.6 Ų | 38.6 | 69% | 0.687 | 21% | 0.206 | S | C | * | . | G | 310 helix | trans | -113.9 | 0.2 | -177.9 | -60 | -175.1 | -177.1 | -169.1 | 1.4 | 113.3 | I26 A27 L31 | I26-R29 HydrophobicContact CG2-CB 4.06Å; I26-R29 HydrophobicContact CG2-CG 4.07Å; I26-R29 PolarHBondContact O-N 2.78Å; A27-R29 PolarHBondContact O-N 3.23Å; R29-L31 HydrophobicContact CB-CB 4.43Å; R29-L31 HydrophobicContact CB-CD1 4.04Å; R29-L31 HydrophobicContact CB-CG 4.12Å; R29-L31 PolarHBondContact O-N 3.16Å |
| 30 | S | 91.8 | Very high | 95.1 | Very high | 59 Ų | 59 | 39.6 Ų | 39.6 | 41% | 0.413 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.2 | 38.1 | -172.9 | -54.3 | 0 | 0 | 0 | 0 | 113.4 | I26 A27 W49 | I26-S30 PolarHBondContact O-N 3.14Å; A27-S30 PolarHBondContact O-N 3.24Å; S30-W49 VanDerWaalsContact C-CD1 3.43Å; S30-W49 VanDerWaalsContact O-CD1 3.31Å; S30-W49 PolarHBondContact O-N 3.43Å; S30-W49 VanDerWaalsContact O-N 3.12Å |
| 31 | L | 93.7 | Very high | 95 | Very high | 42 Ų | 42 | 41.3 Ų | 41.3 | 22% | 0.22 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 147.6 | 179.5 | -70.6 | 174.9 | 0 | 0 | 0 | 110.8 | I26 R29 Y33 A47 W49 | I26-L31 HydrophobicContact CB-CB 4.45Å; I26-L31 PolarHBondContact N-O 3.38Å; I26-L31 PolarHBondContact O-N 3.44Å; R29-L31 HydrophobicContact CB-CB 4.43Å; R29-L31 HydrophobicContact CB-CD1 4.04Å; R29-L31 HydrophobicContact CB-CG 4.12Å; R29-L31 PolarHBondContact O-N 3.16Å; L31-Y33 HydrophobicContact CB-CE2 4.18Å; L31-Y33 HydrophobicContact CD1-CE2 4.37Å; L31-A47 CarbonylContact C-O 3.55Å; L31-A47 WeakPolarHBondContact CA-O 3.4Å; L31-W49 PolarHBondContact O-NE1 2.81Å |
| 32 | T | 95.5 | Very high | 94.9 | Very high | 3 Ų | 3 | 41.2 Ų | 41.2 | 2% | 0.018 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 125.9 | 168.4 | -56.9 | 0 | 0 | 0 | 0 | 108.1 | V23 F34 A47 W49 | V23-T32 HydrophobicContact CG1-CG2 3.39Å; T32-F34 HydrophobicContact CG2-CD2 4.41Å; T32-F34 HydrophobicContact CG2-CE1 3.92Å; T32-F34 HydrophobicContact CG2-CE2 3.7Å; T32-F34 HydrophobicContact CG2-CZ 3.41Å; T32-F34 VanDerWaalsContact CG2-CZ 3.41Å; T32-A47 PolarHBondContact N-O 2.92Å; T32-A47 PolarHBondContact O-N 2.84Å; T32-W49 VanDerWaalsContact OG1-CD1 3.26Å |
| 33 | Y | 96.9 | Very high | 94.9 | Very high | 52 Ų | 52 | 40.7 Ų | 40.7 | 20% | 0.204 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 142.1 | 173.6 | -70.9 | -104.2 | 0 | 0 | 0 | 109.7 | V23 L24 I26 L31 V45 W78 | V23-Y33 CarbonylContact C-O 3.49Å; V23-Y33 WeakPolarHBondContact CA-O 3.4Å; L24-Y33 PolarHBondContact N-O 2.85Å; L24-Y33 PolarHBondContact O-N 2.52Å; I26-Y33 HydrophobicContact CG1-CD2 3.79Å; I26-Y33 HydrophobicContact CG1-CE2 3.75Å; L31-Y33 HydrophobicContact CB-CE2 4.18Å; L31-Y33 HydrophobicContact CD1-CE2 4.37Å; Y33-V45 CarbonylContact C-O 3.57Å; Y33-V45 VanDerWaalsContact CA-O 3.29Å; Y33-V45 WeakPolarHBondContact CA-O 3.19Å; Y33-W78 VanDerWaalsContact C-CH2 3.46Å; Y33-W78 HydrophobicContact CD1-CZ2 4.49Å; Y33-W78 HydrophobicContact CG-CZ2 4.38Å; Y33-W78 WeakPolarHBondContact O-CZ3 3.44Å |
| 34 | F | 98 | Very high | 94.9 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 137.1 | 176.5 | -57.5 | -87.2 | 0 | 0 | 0 | 109.6 | I8 L21 S22 V23 T32 M44 V45 A47 A321 I330 | I8-F34 HydrophobicContact CD1-CD2 4.33Å; I8-F34 HydrophobicContact CD1-CE2 3.8Å; I8-F34 HydrophobicContact CD1-CZ 4.34Å; L21-F34 HydrophobicContact CD1-CB 4.44Å; L21-F34 HydrophobicContact CD1-CD1 4.1Å; S22-F34 WeakPolarHBondContact O-CA 3.4Å; V23-F34 HydrophobicContact CG1-CD1 4.45Å; V23-F34 HydrophobicContact CG1-CE1 4.18Å; V23-F34 HydrophobicContact CG2-CD1 3.78Å; V23-F34 HydrophobicContact CG2-CE1 3.9Å; T32-F34 HydrophobicContact CG2-CD2 4.41Å; T32-F34 HydrophobicContact CG2-CE1 3.92Å; T32-F34 HydrophobicContact CG2-CE2 3.7Å; T32-F34 HydrophobicContact CG2-CZ 3.41Å; T32-F34 VanDerWaalsContact CG2-CZ 3.41Å; F34-M44 CarbonylContact O-C 3.53Å; F34-M44 WeakPolarHBondContact O-CA 3.3Å; F34-V45 HydrophobicContact CB-CB 4.49Å; F34-V45 PolarHBondContact N-O 3.3Å; F34-V45 PolarHBondContact O-N 2.93Å; F34-A47 HydrophobicContact CE2-CB 4.13Å; F34-A321 HydrophobicContact CD1-CB 4.35Å; F34-A321 HydrophobicContact CE1-CB 3.74Å; F34-I330 HydrophobicContact CB-CD1 3.53Å; F34-I330 HydrophobicContact CD1-CD1 4.39Å; F34-I330 HydrophobicContact CD1-CG2 4.41Å; F34-I330 HydrophobicContact CD2-CD1 4.35Å; F34-I330 HydrophobicContact CG-CD1 3.86Å |
| 35 | T | 98.4 | Very high | 94.9 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.006 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 134.1 | 166.6 | 59.3 | 0 | 0 | 0 | 0 | 111.1 | L21 S22 V42 N43 M44 A76 W78 L87 | L21-T35 WeakPolarHBondContact CA-O 3.48Å; S22-T35 VanDerWaalsContact CB-OG1 3.25Å; S22-T35 WeakPolarHBondContact CB-OG1 3.22Å; S22-T35 PolarHBondContact N-O 3.2Å; S22-T35 VanDerWaalsContact N-O 3.11Å; S22-T35 PolarHBondContact O-N 3.06Å; T35-V42 HydrophobicContact CG2-CG1 3.96Å; T35-N43 CarbonylContact C-O 3.59Å; T35-N43 VanDerWaalsContact CA-O 3.27Å; T35-N43 WeakPolarHBondContact CA-O 3.03Å; T35-M44 HydrophobicContact CG2-CG 3.91Å; T35-A76 PolarHBondContact OG1-O 2.98Å; T35-W78 HydrophobicContact CG2-CE3 4.26Å; T35-W78 HydrophobicContact CG2-CH2 3.2Å; T35-W78 HydrophobicContact CG2-CZ2 3.51Å; T35-W78 HydrophobicContact CG2-CZ3 3.63Å; T35-L87 HydrophobicContact CG2-CD1 3.86Å |
| 36 | V | 98.6 | Very high | 95 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 124.5 | 177.5 | -172.3 | 0 | 0 | 0 | 0 | 109.2 | M10 A14 L21 N43 T323 I330 | M10-V36 HydrophobicContact CE-CB 4.44Å; M10-V36 HydrophobicContact CE-CG1 4.13Å; M10-V36 HydrophobicContact SD-CB 3.7Å; M10-V36 HydrophobicContact SD-CG1 4.05Å; M10-V36 HydrophobicContact SD-CG2 3.58Å; M10-V36 VanDerWaalsContact SD-CG2 3.58Å; A14-V36 HydrophobicContact CB-CG1 3.46Å; A14-V36 VanDerWaalsContact CB-CG1 3.46Å; L21-V36 HydrophobicContact CD1-CG2 3.98Å; V36-N43 HydrophobicContact CB-CB 4.42Å; V36-N43 PolarHBondContact N-O 2.93Å; V36-N43 PolarHBondContact O-N 2.89Å; V36-T323 HydrophobicContact CB-CG2 4.49Å; V36-T323 HydrophobicContact CG1-CG2 4.02Å; V36-T323 HydrophobicContact CG2-CG2 3.6Å; V36-I330 HydrophobicContact CG2-CD1 4.07Å; V36-I330 HydrophobicContact CG2-CG1 4.13Å |
| 37 | V | 98.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 134.4 | -179.7 | -178.9 | 0 | 0 | 0 | 0 | 110.7 | S15 L17 N20 V42 I73 A76 | S15-V37 PolarHBondContact N-O 3.08Å; L17-V37 HydrophobicContact CD1-CB 3.93Å; L17-V37 HydrophobicContact CD1-CG1 3.62Å; N20-V37 PolarHBondContact ND2-O 3.31Å; N20-V37 WeakPolarHBondContact OD1-CA 3.46Å; N20-V37 VanDerWaalsContact OD1-CB 3.26Å; N20-V37 WeakPolarHBondContact OD1-CB 3.08Å; N20-V37 PolarHBondContact OD1-N 3Å; V37-V42 HydrophobicContact CG2-CG2 4.37Å; V37-I73 HydrophobicContact CB-CG2 4.38Å; V37-I73 HydrophobicContact CG1-CB 3.67Å; V37-I73 HydrophobicContact CG1-CG2 3.67Å; V37-I73 WeakPolarHBondContact CG1-O 3.43Å; V37-I73 HydrophobicContact CG2-CG2 3.74Å; V37-A76 HydrophobicContact CG2-CB 3.73Å |
| 38 | H | 97.4 | Very high | 95.3 | Very high | 48 Ų | 48 | 31.6 Ų | 31.6 | 22% | 0.222 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 100.1 | 171.3 | -176.9 | 76.3 | 0 | 0 | 0 | 109.4 | S13 S15 N40 M41 | S13-H38 WeakPolarHBondContact O-CB 3.47Å; S13-H38 VanDerWaalsContact O-CG 3.24Å; S13-H38 PolarHBondContact O-ND1 2.82Å; S13-H38 PolarHBondContact OG-CE1 2.98Å; S13-H38 PolarHBondContact OG-ND1 3.32Å; S13-H38 VanDerWaalsContact OG-ND1 3.15Å; S15-H38 WeakPolarHBondContact OG-CA 3.32Å; H38-N40 PolarHBondContact O-N 2.9Å; H38-M41 CarbonylContact C-O 3.57Å; H38-M41 PolarHBondContact N-O 2.87Å; H38-M41 PolarHBondContact O-N 3.11Å |
| 39 | A | 95.7 | Very high | 95.3 | Very high | 33 Ų | 33 | 29.7 Ų | 29.7 | 27% | 0.273 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.4 | -108.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | S15 L72 I73 | S15-A39 PolarHBondContact OG-N 2.84Å; A39-L72 HydrophobicContact CB-CD2 4.03Å; A39-I73 PolarHBondContact O-N 3.46Å |
| 40 | N | 94.7 | Very high | 95.1 | Very high | 29 Ų | 29 | 25.1 Ų | 25.1 | 16% | 0.155 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | 9.8 | 179.9 | 63.8 | -13 | 0 | 0 | 0 | 113.7 | H38 S61 S70 S71 I73 | H38-N40 PolarHBondContact O-N 2.9Å; N40-S61 PolarHBondContact O-N 3.46Å; N40-S70 WeakPolarHBondContact ND2-CB 3.45Å; N40-S70 PolarHBondContact ND2-OG 3.29Å; N40-S71 VanDerWaalsContact CA-O 3.31Å; N40-S71 WeakPolarHBondContact CA-O 3.41Å; N40-S71 VanDerWaalsContact CB-O 3.22Å; N40-S71 WeakPolarHBondContact CB-O 3.45Å; N40-I73 WeakPolarHBondContact O-CD1 3.43Å |
| 41 | M | 95.6 | Very high | 94.5 | Very high | 42 Ų | 42 | 22.5 Ų | 22.5 | 21% | 0.207 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 158.2 | -176.3 | -66.7 | -178.5 | -65.9 | 0 | 0 | 111.8 | H38 L59 Q60 | H38-M41 CarbonylContact C-O 3.57Å; H38-M41 PolarHBondContact N-O 2.87Å; H38-M41 PolarHBondContact O-N 3.11Å; M41-L59 CarbonylContact C-O 3.58Å; M41-L59 WeakPolarHBondContact CA-O 3.49Å; M41-Q60 HydrophobicContact CG-CB 4.25Å; M41-Q60 HydrophobicContact CG-CG 4.08Å |
| 42 | V | 97.4 | Very high | 94 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 120.3 | 170.9 | -175.3 | 0 | 0 | 0 | 0 | 108.5 | T35 V37 M44 Q58 L59 I73 A76 L89 | T35-V42 HydrophobicContact CG2-CG1 3.96Å; V37-V42 HydrophobicContact CG2-CG2 4.37Å; V42-M44 HydrophobicContact CG1-CG 4.22Å; V42-M44 PolarHBondContact O-N 2.8Å; V42-Q58 WeakPolarHBondContact O-CA 3.43Å; V42-L59 HydrophobicContact CB-CB 4.48Å; V42-L59 PolarHBondContact N-O 2.78Å; V42-L59 PolarHBondContact O-N 2.72Å; V42-I73 HydrophobicContact CG2-CD1 3.54Å; V42-I73 HydrophobicContact CG2-CG2 4.18Å; V42-A76 HydrophobicContact CG1-CB 3.79Å; V42-A76 HydrophobicContact CG2-CB 3.88Å; V42-L89 HydrophobicContact CG2-CD1 3.98Å; V42-L89 HydrophobicContact CG2-CD2 3.77Å |
| 43 | N | 97.9 | Very high | 93.7 | Very high | 2 Ų | 2 | 31.4 Ų | 31.4 | 1% | 0.011 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 118.6 | 164.7 | -63.5 | -69.1 | 0 | 0 | 0 | 107.9 | M10 S12 T35 V36 Q58 | M10-N43 HydrophobicContact SD-CB 4.18Å; S12-N43 PolarHBondContact N-OD1 2.83Å; S12-N43 PolarHBondContact O-ND2 2.78Å; S12-N43 VanDerWaalsContact O-ND2 3.13Å; T35-N43 CarbonylContact C-O 3.59Å; T35-N43 VanDerWaalsContact CA-O 3.27Å; T35-N43 WeakPolarHBondContact CA-O 3.03Å; V36-N43 HydrophobicContact CB-CB 4.42Å; V36-N43 PolarHBondContact N-O 2.93Å; V36-N43 PolarHBondContact O-N 2.89Å; N43-Q58 PolarHBondContact OD1-NE2 2.74Å |
| 44 | M | 97.6 | Very high | 93.5 | Very high | 7 Ų | 7 | 32.5 Ų | 32.5 | 3% | 0.034 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 121.7 | 170.9 | -62.6 | -178 | 69.9 | 0 | 0 | 108.6 | F34 T35 V42 R57 L59 W78 L87 | F34-M44 CarbonylContact O-C 3.53Å; F34-M44 WeakPolarHBondContact O-CA 3.3Å; T35-M44 HydrophobicContact CG2-CG 3.91Å; V42-M44 HydrophobicContact CG1-CG 4.22Å; V42-M44 PolarHBondContact O-N 2.8Å; M44-R57 HydrophobicContact CB-CB 4.18Å; M44-R57 PolarHBondContact N-O 3.46Å; M44-R57 PolarHBondContact O-N 2.93Å; M44-R57 VanDerWaalsContact O-O 3.07Å; M44-L59 HydrophobicContact SD-CB 4.24Å; M44-L59 HydrophobicContact SD-CD2 4.36Å; M44-W78 HydrophobicContact CE-CZ2 4.06Å; M44-L87 HydrophobicContact CE-CD2 3.55Å; M44-L87 HydrophobicContact SD-CD2 3.72Å |
| 45 | V | 96.8 | Very high | 93.3 | Very high | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.006 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 123.9 | -178.8 | -170.8 | 0 | 0 | 0 | 0 | 109.6 | I8 M10 Y33 F34 Y54 S55 I330 | I8-V45 HydrophobicContact CG2-CG1 3.55Å; M10-V45 HydrophobicContact CG-CG2 4.29Å; Y33-V45 CarbonylContact C-O 3.57Å; Y33-V45 VanDerWaalsContact CA-O 3.29Å; Y33-V45 WeakPolarHBondContact CA-O 3.19Å; F34-V45 HydrophobicContact CB-CB 4.49Å; F34-V45 PolarHBondContact N-O 3.3Å; F34-V45 PolarHBondContact O-N 2.93Å; V45-Y54 HydrophobicContact CG1-CD2 4.49Å; V45-S55 WeakPolarHBondContact CA-O 3.35Å; V45-I330 HydrophobicContact CB-CD1 4.48Å; V45-I330 HydrophobicContact CG2-CD1 4.35Å |
| 46 | S | 95.3 | Very high | 93.1 | Very high | 16 Ų | 16 | 38.6 Ų | 38.6 | 11% | 0.112 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 124.5 | 169.8 | 67.4 | 0 | 0 | 0 | 0 | 108.4 | Y54 S55 | S46-Y54 CarbonylContact O-C 3.46Å; S46-Y54 WeakPolarHBondContact O-CA 3.41Å; S46-Y54 VanDerWaalsContact O-CB 3.26Å; S46-Y54 WeakPolarHBondContact O-CB 3.3Å; S46-S55 PolarHBondContact N-O 2.77Å; S46-S55 PolarHBondContact O-N 2.81Å; S46-S55 PolarHBondContact OG-OG 2.85Å |
| 47 | A | 94.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 148.1 | 177 | 0 | 0 | 0 | 0 | 0 | 111.3 | I8 L31 T32 F34 N53 | I8-A47 HydrophobicContact CD1-CB 3.65Å; L31-A47 CarbonylContact C-O 3.55Å; L31-A47 WeakPolarHBondContact CA-O 3.4Å; T32-A47 PolarHBondContact N-O 2.92Å; T32-A47 PolarHBondContact O-N 2.84Å; F34-A47 HydrophobicContact CE2-CB 4.13Å; A47-N53 CarbonylContact C-O 3.55Å; A47-N53 VanDerWaalsContact CA-O 3.3Å; A47-N53 WeakPolarHBondContact CA-O 3.34Å |
| 48 | S | 92.1 | Very high | 92.7 | Very high | 20 Ų | 20 | 46.7 Ų | 46.7 | 14% | 0.14 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 156.1 | 164.7 | 48.6 | 0 | 0 | 0 | 0 | 110.5 | D50 G51 N53 R332 | S48-D50 VanDerWaalsContact CB-OD1 3.22Å; S48-D50 WeakPolarHBondContact CB-OD1 3.4Å; S48-D50 PolarHBondContact O-N 3.18Å; S48-D50 PolarHBondContact OG-OD1 2.83Å; S48-G51 WeakPolarHBondContact O-CA 3.35Å; S48-G51 PolarHBondContact O-N 2.98Å; S48-N53 PolarHBondContact N-O 2.88Å; S48-N53 PolarHBondContact OG-N 2.86Å; S48-N53 VanDerWaalsContact OG-N 3.11Å; S48-N53 PolarHBondContact OG-O 3.07Å; S48-R332 PolarHBondContact O-NH1 2.88Å |
| 49 | W | 87.4 | Confident | 92.5 | Very high | 86 Ų | 86 | 44.9 Ų | 44.9 | 33% | 0.326 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -33.5 | -179.3 | -71.6 | -8.2 | 0 | 0 | 0 | 113.8 | R25 A27 S30 L31 T32 G51 R332 | R25-W49 HydrophobicContact CG-CZ2 4.12Å; R25-W49 VanDerWaalsContact NH2-CZ3 3.33Å; A27-W49 HydrophobicContact CB-CH2 4.31Å; A27-W49 HydrophobicContact CB-CZ2 4.2Å; S30-W49 VanDerWaalsContact C-CD1 3.43Å; S30-W49 VanDerWaalsContact O-CD1 3.31Å; S30-W49 PolarHBondContact O-N 3.43Å; S30-W49 VanDerWaalsContact O-N 3.12Å; L31-W49 PolarHBondContact O-NE1 2.81Å; T32-W49 VanDerWaalsContact OG1-CD1 3.26Å; W49-G51 PolarHBondContact O-N 3.07Å; W49-R332 PolarHBondContact O-NH1 3.14Å; W49-R332 PolarHBondContact O-NH2 2.84Å |
| 50 | D | 82.5 | Confident | 92.3 | Very high | 86 Ų | 86 | 48.2 Ų | 48.2 | 46% | 0.46 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -6 | 172.5 | 63.8 | 9.4 | 0 | 0 | 0 | 114.2 | S48 L52 | S48-D50 VanDerWaalsContact CB-OD1 3.22Å; S48-D50 WeakPolarHBondContact CB-OD1 3.4Å; S48-D50 PolarHBondContact O-N 3.18Å; S48-D50 PolarHBondContact OG-OD1 2.83Å; D50-L52 HydrophobicContact CB-CD1 4.37Å; D50-L52 HydrophobicContact CB-CG 4.18Å; D50-L52 PolarHBondContact O-N 2.89Å; D50-L52 VanDerWaalsContact O-N 3.14Å; D50-L52 PolarHBondContact OD1-N 3.32Å |
| 51 | G | 79.6 | Confident | 91.9 | Very high | 5 Ų | 5 | 47.1 Ų | 47.1 | 5% | 0.052 | 23% | 0.233 | C | C | . | . | S | Bend | trans | 69.3 | 3.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | S48 W49 | S48-G51 WeakPolarHBondContact O-CA 3.35Å; S48-G51 PolarHBondContact O-N 2.98Å; W49-G51 PolarHBondContact O-N 3.07Å |
| 52 | L | 82.6 | Confident | 91.3 | Very high | 114 Ų | 114 | 50.5 Ų | 50.5 | 60% | 0.597 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -78.2 | -33.1 | -172.7 | -64.7 | -179.7 | 0 | 0 | 0 | 113.1 | D50 | D50-L52 HydrophobicContact CB-CD1 4.37Å; D50-L52 HydrophobicContact CB-CG 4.18Å; D50-L52 PolarHBondContact O-N 2.89Å; D50-L52 VanDerWaalsContact O-N 3.14Å; D50-L52 PolarHBondContact OD1-N 3.32Å |
| 53 | N | 90.1 | Very high | 90 | Very high | 117 Ų | 117 | 52.5 Ų | 52.5 | 63% | 0.626 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -117.4 | 128.3 | 179.4 | -63.1 | -69.8 | 0 | 0 | 0 | 109.6 | A47 S48 | A47-N53 CarbonylContact C-O 3.55Å; A47-N53 VanDerWaalsContact CA-O 3.3Å; A47-N53 WeakPolarHBondContact CA-O 3.34Å; S48-N53 PolarHBondContact N-O 2.88Å; S48-N53 PolarHBondContact OG-N 2.86Å; S48-N53 VanDerWaalsContact OG-N 3.11Å; S48-N53 PolarHBondContact OG-O 3.07Å |
| 54 | Y | 92.6 | Very high | 88.3 | Confident | 75 Ų | 75 | 55.1 Ų | 55.1 | 29% | 0.294 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 157.4 | 175.6 | 56.1 | -101 | 0 | 0 | 0 | 113 | I8 V45 S46 H56 | I8-Y54 HydrophobicContact CG1-CD1 4.41Å; I8-Y54 HydrophobicContact CG2-CD1 3.9Å; I8-Y54 HydrophobicContact CG2-CD2 4.11Å; I8-Y54 HydrophobicContact CG2-CE1 4.23Å; I8-Y54 HydrophobicContact CG2-CE2 4.44Å; I8-Y54 HydrophobicContact CG2-CG 3.82Å; V45-Y54 HydrophobicContact CG1-CD2 4.49Å; S46-Y54 CarbonylContact O-C 3.46Å; S46-Y54 WeakPolarHBondContact O-CA 3.41Å; S46-Y54 VanDerWaalsContact O-CB 3.26Å; S46-Y54 WeakPolarHBondContact O-CB 3.3Å; Y54-H56 AromaticContact CD2-CE1 3.22Å; Y54-H56 WeakPolarHBondContact CD2-CE1 3.48Å; Y54-H56 AromaticContact CD2-NE2 3.25Å; Y54-H56 VanDerWaalsContact CD2-NE2 3.25Å; Y54-H56 WeakPolarHBondContact CD2-NE2 3.01Å; Y54-H56 AromaticContact CE2-CE1 3.33Å; Y54-H56 WeakPolarHBondContact CE2-CE1 3.33Å; Y54-H56 AromaticContact CE2-NE2 3.12Å; Y54-H56 WeakPolarHBondContact CE2-NE2 3.13Å |
| 55 | S | 94.3 | Very high | 86.3 | Confident | 69 Ų | 69 | 63 Ų | 63 | 48% | 0.483 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 151.4 | 177.3 | 90.7 | 0 | 0 | 0 | 0 | 110.5 | V45 S46 | V45-S55 WeakPolarHBondContact CA-O 3.35Å; S46-S55 PolarHBondContact N-O 2.77Å; S46-S55 PolarHBondContact O-N 2.81Å; S46-S55 PolarHBondContact OG-OG 2.85Å |
| 56 | H | 93.6 | Very high | 84.6 | Confident | 61 Ų | 61 | 66.5 Ų | 66.5 | 28% | 0.282 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 139 | -176.5 | -50.6 | -68.5 | 0 | 0 | 0 | 112.4 | Q9 K11 Y54 | Q9-H56 PolarHBondContact O-CE1 2.84Å; Q9-H56 PolarHBondContact O-ND1 2.85Å; K11-H56 HydrophobicContact CD-CB 4.17Å; K11-H56 HydrophobicContact CG-CB 4.26Å; Y54-H56 AromaticContact CD2-CE1 3.22Å; Y54-H56 WeakPolarHBondContact CD2-CE1 3.48Å; Y54-H56 AromaticContact CD2-NE2 3.25Å; Y54-H56 VanDerWaalsContact CD2-NE2 3.25Å; Y54-H56 WeakPolarHBondContact CD2-NE2 3.01Å; Y54-H56 AromaticContact CE2-CE1 3.33Å; Y54-H56 WeakPolarHBondContact CE2-CE1 3.33Å; Y54-H56 AromaticContact CE2-NE2 3.12Å; Y54-H56 WeakPolarHBondContact CE2-NE2 3.13Å |
| 57 | R | 94.6 | Very high | 82.5 | Confident | 100 Ų | 100 | 70.8 Ų | 70.8 | 38% | 0.377 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 148.3 | 165.4 | 179.4 | -178.9 | -167.7 | 153.1 | 15.9 | 108.5 | M44 D101 G102 | M44-R57 HydrophobicContact CB-CB 4.18Å; M44-R57 PolarHBondContact N-O 3.46Å; M44-R57 PolarHBondContact O-N 2.93Å; M44-R57 VanDerWaalsContact O-O 3.07Å; R57-D101 PolarHBondContact NH1-O 2.92Å; R57-G102 PolarHBondContact NH2-O 2.83Å |
| 58 | Q | 94.3 | Very high | 80.5 | Confident | 69 Ų | 69 | 77.1 Ų | 77.1 | 32% | 0.322 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 135.1 | 167.4 | -74.9 | -179.9 | -46.8 | 0 | 0 | 108.6 | K11 S12 V42 N43 | K11-Q58 HydrophobicContact CB-CG 4.36Å; K11-Q58 HydrophobicContact CD-CG 4.27Å; S12-Q58 PolarHBondContact OG-NE2 2.96Å; V42-Q58 WeakPolarHBondContact O-CA 3.43Å; N43-Q58 PolarHBondContact OD1-NE2 2.74Å |
| 59 | L | 93.6 | Very high | 78.8 | Confident | 10 Ų | 10 | 78 Ų | 78 | 5% | 0.052 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 118.7 | 175.1 | -177.2 | 58.3 | 0 | 0 | 0 | 107.7 | M41 V42 M44 L87 L89 Y98 | M41-L59 CarbonylContact C-O 3.58Å; M41-L59 WeakPolarHBondContact CA-O 3.49Å; V42-L59 HydrophobicContact CB-CB 4.48Å; V42-L59 PolarHBondContact N-O 2.78Å; V42-L59 PolarHBondContact O-N 2.72Å; M44-L59 HydrophobicContact SD-CB 4.24Å; M44-L59 HydrophobicContact SD-CD2 4.36Å; L59-L87 HydrophobicContact CD2-CD2 4.06Å; L59-L89 HydrophobicContact CD2-CD1 3.68Å; L59-L89 HydrophobicContact CD2-CG 4.46Å; L59-L89 HydrophobicContact CG-CD1 4.02Å; L59-Y98 HydrophobicContact CD1-CD1 4.43Å; L59-Y98 HydrophobicContact CD1-CE1 3.8Å; L59-Y98 HydrophobicContact CD2-CD1 4.12Å; L59-Y98 HydrophobicContact CD2-CD2 3.93Å; L59-Y98 HydrophobicContact CD2-CE1 4.05Å; L59-Y98 HydrophobicContact CD2-CE2 3.83Å; L59-Y98 HydrophobicContact CD2-CG 4.08Å; L59-Y98 HydrophobicContact CG-CE1 4.46Å |
| 60 | Q | 91.4 | Very high | 78 | Confident | 104 Ų | 104 | 76.8 Ų | 76.8 | 49% | 0.486 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 143.5 | 176.9 | -167.9 | 171.5 | 18.9 | 0 | 0 | 109.5 | M41 K62 | M41-Q60 HydrophobicContact CG-CB 4.25Å; M41-Q60 HydrophobicContact CG-CG 4.08Å; Q60-K62 PolarHBondContact O-N 2.62Å |
| 61 | S | 85.1 | Confident | 78.3 | Confident | 5 Ų | 5 | 73 Ų | 73 | 4% | 0.035 | 41% | 0.408 | C | S | . | . | trans | -56.7 | 130.9 | 170 | 179.6 | 0 | 0 | 0 | 0 | 110 | N40 Q96 | N40-S61 PolarHBondContact O-N 3.46Å; S61-Q96 PolarHBondContact OG-NE2 2.93Å | ||
| 62 | K | 82.8 | Confident | 78.9 | Confident | 114 Ų | 114 | 76.6 Ų | 76.6 | 50% | 0.496 | 43% | 0.426 | S | S | . | . | trans | -107.8 | 137.6 | 174.7 | -64.5 | -179.1 | -178.7 | 177.7 | 0 | 110.3 | Q60 Q96 | Q60-K62 PolarHBondContact O-N 2.62Å; K62-Q96 PolarHBondContact O-NE2 2.74Å | ||
| 63 | E | 71.9 | Confident | 79.6 | Confident | 42 Ų | 42 | 71.3 Ų | 71.3 | 20% | 0.196 | 40% | 0.398 | C | S | . | . | trans | -101.3 | 143.2 | 163.5 | -71.6 | 179.7 | -152.7 | 0 | 0 | 109.2 | N65 S69 | E63-N65 PolarHBondContact O-N 2.75Å; E63-S69 VanDerWaalsContact CD-CB 3.48Å; E63-S69 WeakPolarHBondContact OE1-CB 3.32Å; E63-S69 PolarHBondContact OE1-OG 3.02Å; E63-S69 VanDerWaalsContact OE2-CB 3.23Å; E63-S69 WeakPolarHBondContact OE2-CB 3.06Å; E63-S69 PolarHBondContact OE2-OG 2.95Å | ||
| 64 | A | 61.5 | Low | 79.9 | Confident | 57 Ų | 57 | 66.8 Ų | 66.8 | 47% | 0.471 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | 126.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | V66 | A64-V66 PolarHBondContact O-N 2.68Š|
| 65 | N | 55.8 | Low | 80.2 | Confident | 172 Ų | 172 | 64 Ų | 64 | 92% | 0.92 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69 | 18.1 | 170.1 | -52.9 | -37.9 | 0 | 0 | 0 | 117.8 | E63 | E63-N65 PolarHBondContact O-N 2.75Š|
| 66 | V | 59.7 | Low | 80.4 | Confident | 74 Ų | 74 | 60.9 Ų | 60.9 | 45% | 0.448 | 34% | 0.342 | S | S | . | . | trans | -128.9 | 125.8 | 173.2 | -170.1 | 0 | 0 | 0 | 0 | 110.5 | A64 T68 S69 | A64-V66 PolarHBondContact O-N 2.68Å; V66-T68 PolarHBondContact O-N 3.5Å; V66-S69 VanDerWaalsContact CB-OG 3.23Å; V66-S69 WeakPolarHBondContact CB-OG 3.47Å; V66-S69 WeakPolarHBondContact CG1-OG 3.19Å | ||
| 67 | A | 52.1 | Low | 80.6 | Confident | 107 Ų | 107 | 58.5 Ų | 58.5 | 88% | 0.884 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -78.2 | -15 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 68 | T | 52.4 | Low | 80.8 | Confident | 133 Ų | 133 | 54.8 Ų | 54.8 | 82% | 0.816 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -139.6 | 3 | -166.8 | 52.1 | 0 | 0 | 0 | 0 | 115.7 | V66 | V66-T68 PolarHBondContact O-N 3.5Š|
| 69 | S | 55.9 | Low | 81 | Confident | 38 Ų | 38 | 51.6 Ų | 51.6 | 27% | 0.266 | 30% | 0.304 | S | S | . | . | trans | -89.7 | 131.3 | 173.4 | 51.4 | 0 | 0 | 0 | 0 | 110.2 | E63 V66 | E63-S69 VanDerWaalsContact CD-CB 3.48Å; E63-S69 WeakPolarHBondContact OE1-CB 3.32Å; E63-S69 PolarHBondContact OE1-OG 3.02Å; E63-S69 VanDerWaalsContact OE2-CB 3.23Å; E63-S69 WeakPolarHBondContact OE2-CB 3.06Å; E63-S69 PolarHBondContact OE2-OG 2.95Å; V66-S69 VanDerWaalsContact CB-OG 3.23Å; V66-S69 WeakPolarHBondContact CB-OG 3.47Å; V66-S69 WeakPolarHBondContact CG1-OG 3.19Å | ||
| 70 | S | 72.5 | Confident | 81 | Confident | 61 Ų | 61 | 55.2 Ų | 55.2 | 43% | 0.427 | 33% | 0.326 | S | S | . | . | trans | -124.8 | 119.6 | 174.9 | 71.7 | 0 | 0 | 0 | 0 | 109.2 | N40 | N40-S70 WeakPolarHBondContact ND2-CB 3.45Å; N40-S70 PolarHBondContact ND2-OG 3.29Å | ||
| 71 | S | 87.2 | Confident | 81.2 | Confident | 5 Ų | 5 | 50.5 Ų | 50.5 | 4% | 0.035 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -86 | 143.6 | 177.6 | -172.8 | 0 | 0 | 0 | 0 | 111.3 | N40 I73 Q92 K93 | N40-S71 VanDerWaalsContact CA-O 3.31Å; N40-S71 WeakPolarHBondContact CA-O 3.41Å; N40-S71 VanDerWaalsContact CB-O 3.22Å; N40-S71 WeakPolarHBondContact CB-O 3.45Å; S71-I73 PolarHBondContact O-N 3.47Å; S71-Q92 WeakPolarHBondContact OG-CB 3.04Å; S71-Q92 PolarHBondContact OG-N 2.97Å; S71-K93 VanDerWaalsContact OG-CG 3.32Å; S71-K93 WeakPolarHBondContact OG-CG 3.39Å; S71-K93 PolarHBondContact OG-N 2.94Å |
| 72 | L | 93.3 | Very high | 81.5 | Confident | 81 Ų | 81 | 54.5 Ų | 54.5 | 42% | 0.424 | 33% | 0.33 | S | S | . | . | P | Polyproline II helix | trans | -65.2 | 128.9 | 169.7 | -66.3 | 177 | 0 | 0 | 0 | 109.2 | A39 S91 Q92 | A39-L72 HydrophobicContact CB-CD2 4.03Å; L72-S91 CarbonylContact O-C 3.57Å; L72-S91 WeakPolarHBondContact O-CA 3.43Å; L72-S91 VanDerWaalsContact O-CB 3.25Å; L72-S91 WeakPolarHBondContact O-CB 3.07Å; L72-Q92 HydrophobicContact CB-CG 4.2Å; L72-Q92 PolarHBondContact O-N 3.36Å; L72-Q92 VanDerWaalsContact O-N 3.07Å |
| 73 | I | 96.8 | Very high | 81.8 | Confident | 3 Ų | 3 | 51.5 Ų | 51.5 | 2% | 0.015 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 132.2 | 174.9 | -62.9 | 178.7 | 0 | 0 | 0 | 107.3 | L17 V37 A39 N40 V42 S71 L89 T90 | L17-I73 WeakPolarHBondContact CD1-O 3.4Å; V37-I73 HydrophobicContact CB-CG2 4.38Å; V37-I73 HydrophobicContact CG1-CB 3.67Å; V37-I73 HydrophobicContact CG1-CG2 3.67Å; V37-I73 WeakPolarHBondContact CG1-O 3.43Å; V37-I73 HydrophobicContact CG2-CG2 3.74Å; A39-I73 PolarHBondContact O-N 3.46Å; N40-I73 WeakPolarHBondContact O-CD1 3.43Å; V42-I73 HydrophobicContact CG2-CD1 3.54Å; V42-I73 HydrophobicContact CG2-CG2 4.18Å; S71-I73 PolarHBondContact O-N 3.47Å; I73-L89 HydrophobicContact CD1-CD1 4.23Å; I73-T90 CarbonylContact C-O 3.54Å; I73-T90 WeakPolarHBondContact CA-O 3.42Å; I73-T90 WeakPolarHBondContact CG2-O 3.47Å |
| 74 | M | 97.4 | Very high | 82.8 | Confident | 23 Ų | 23 | 50.9 Ų | 50.9 | 11% | 0.113 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | -28.6 | -176.8 | -57.6 | -50.6 | -71.2 | 0 | 0 | 112.6 | T90 Q92 F123 A124 R125 | M74-T90 PolarHBondContact N-O 2.85Å; M74-Q92 HydrophobicContact SD-CG 4.11Å; M74-F123 HydrophobicContact CE-CD2 4.24Å; M74-F123 HydrophobicContact CE-CG 4.21Å; M74-F123 HydrophobicContact CG-CB 3.88Å; M74-F123 HydrophobicContact CG-CD2 4.35Å; M74-F123 HydrophobicContact CG-CG 4.35Å; M74-F123 HydrophobicContact SD-CB 4.48Å; M74-A124 VanDerWaalsContact CB-O 3.22Å; M74-A124 WeakPolarHBondContact CB-O 3.42Å; M74-R125 HydrophobicContact CB-CB 4.32Å; M74-R125 PolarHBondContact O-NE 3.35Å; M74-R125 PolarHBondContact O-NH2 3.01Å |
| 75 | Q | 98.3 | Very high | 84.4 | Confident | 15 Ų | 15 | 50.2 Ų | 50.2 | 7% | 0.07 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.7 | 146.7 | 175.9 | -166.1 | 175.3 | 5.1 | 0 | 0 | 110.4 | T90 G126 I127 | Q75-T90 WeakPolarHBondContact CB-OG1 3.32Å; Q75-T90 PolarHBondContact N-OG1 3.15Å; Q75-T90 PolarHBondContact O-N 2.88Å; Q75-T90 PolarHBondContact O-OG1 2.9Å; Q75-G126 VanDerWaalsContact OE1-CA 3.22Å; Q75-I127 HydrophobicContact CB-CD1 4.08Å; Q75-I127 HydrophobicContact CG-CD1 3.99Å |
| 76 | A | 98.4 | Very high | 86.4 | Confident | 5 Ų | 5 | 42 Ų | 42 | 4% | 0.041 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 124.8 | 168.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | S22 T35 V37 V42 V88 L89 | S22-A76 WeakPolarHBondContact CB-O 3.44Å; T35-A76 PolarHBondContact OG1-O 2.98Å; V37-A76 HydrophobicContact CG2-CB 3.73Å; V42-A76 HydrophobicContact CG1-CB 3.79Å; V42-A76 HydrophobicContact CG2-CB 3.88Å; A76-V88 WeakPolarHBondContact CA-O 3.39Å; A76-L89 HydrophobicContact CB-CD2 3.48Å; A76-L89 VanDerWaalsContact CB-CD2 3.48Å |
| 77 | A | 98.4 | Very high | 88.2 | Confident | 11 Ų | 11 | 38.5 Ų | 38.5 | 9% | 0.091 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 143.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | S22 V88 I127 | S22-A77 WeakPolarHBondContact OG-CA 3.28Å; A77-V88 PolarHBondContact N-O 3.35Å; A77-V88 PolarHBondContact O-N 2.98Å; A77-I127 HydrophobicContact CB-CB 4.18Å; A77-I127 HydrophobicContact CB-CD1 3.93Å; A77-I127 HydrophobicContact CB-CG2 4.22Å |
| 78 | W | 98.1 | Very high | 90.4 | Very high | 21 Ų | 21 | 33.4 Ų | 33.4 | 8% | 0.08 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 128.9 | 165.2 | -73.5 | -75.9 | 0 | 0 | 0 | 110.7 | S22 L24 Y33 T35 M44 I86 L87 S100 | S22-W78 WeakPolarHBondContact O-CZ3 3.25Å; S22-W78 PolarHBondContact OG-N 3.25Å; L24-W78 HydrophobicContact CB-CB 4.23Å; L24-W78 HydrophobicContact CB-CD2 3.49Å; L24-W78 VanDerWaalsContact CB-CD2 3.49Å; L24-W78 HydrophobicContact CB-CE3 3.55Å; L24-W78 HydrophobicContact CB-CG 3.8Å; L24-W78 HydrophobicContact CB-CZ2 4.48Å; L24-W78 HydrophobicContact CB-CZ3 4.08Å; L24-W78 HydrophobicContact CD2-CD2 4.09Å; L24-W78 HydrophobicContact CD2-CG 3.85Å; L24-W78 HydrophobicContact CG-CD2 4.4Å; L24-W78 HydrophobicContact CG-CG 4.33Å; Y33-W78 VanDerWaalsContact C-CH2 3.46Å; Y33-W78 HydrophobicContact CD1-CZ2 4.49Å; Y33-W78 HydrophobicContact CG-CZ2 4.38Å; Y33-W78 WeakPolarHBondContact O-CZ3 3.44Å; T35-W78 HydrophobicContact CG2-CE3 4.26Å; T35-W78 HydrophobicContact CG2-CH2 3.2Å; T35-W78 HydrophobicContact CG2-CZ2 3.51Å; T35-W78 HydrophobicContact CG2-CZ3 3.63Å; M44-W78 HydrophobicContact CE-CZ2 4.06Å; W78-I86 WeakPolarHBondContact CA-O 3.46Å; W78-L87 HydrophobicContact CD2-CD1 4.26Å; W78-L87 HydrophobicContact CG-CD1 4.31Å; W78-S100 PolarHBondContact NE1-O 3.11Å |
| 79 | C | 97.7 | Very high | 92.6 | Very high | 2 Ų | 2 | 27.1 Ų | 27.1 | 1% | 0.014 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 103.2 | 166 | -72 | 0 | 0 | 0 | 0 | 108.3 | L81 I86 V88 I127 A129 I135 | C79-L81 PolarHBondContact O-N 3.27Å; C79-I86 PolarHBondContact N-O 2.74Å; C79-I86 PolarHBondContact O-N 3.38Å; C79-V88 HydrophobicContact CB-CG2 4.3Å; C79-I127 WeakPolarHBondContact SG-CG2 3.45Å; C79-A129 HydrophobicContact CB-CB 3.74Å; C79-I135 HydrophobicContact CB-CD1 3.57Å; C79-I135 HydrophobicContact CB-CG1 3.82Å |
| 80 | V | 95.2 | Very high | 94.6 | Very high | 86 Ų | 86 | 25.3 Ų | 25.3 | 52% | 0.521 | 15% | 0.15 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 100.2 | 177.1 | 178.1 | 0 | 0 | 0 | 0 | 107.9 | L24 D85 | L24-V80 HydrophobicContact CD1-CG2 3.53Å; V80-D85 WeakPolarHBondContact CG1-OD1 3.3Å |
| 81 | L | 94.4 | Very high | 95.7 | Very high | 5 Ų | 5 | 22.5 Ų | 22.5 | 3% | 0.026 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 151.6 | 171.6 | -58.6 | 166.4 | 0 | 0 | 0 | 109 | C79 S83 R84 A129 I135 V149 | C79-L81 PolarHBondContact O-N 3.27Å; L81-S83 PolarHBondContact O-N 3.2Å; L81-R84 VanDerWaalsContact CB-O 3.31Å; L81-R84 WeakPolarHBondContact CB-O 3.39Å; L81-R84 PolarHBondContact N-O 3.03Å; L81-R84 VanDerWaalsContact N-O 3.16Å; L81-R84 CarbonylContact O-C 3.56Å; L81-R84 PolarHBondContact O-N 2.85Å; L81-R84 VanDerWaalsContact O-N 3.1Å; L81-A129 HydrophobicContact CD2-CB 3.94Å; L81-I135 HydrophobicContact CD1-CD1 4.45Å; L81-I135 HydrophobicContact CD1-CG1 4.34Å; L81-V149 HydrophobicContact CD1-CB 3.75Å; L81-V149 HydrophobicContact CD1-CG1 3.77Å; L81-V149 HydrophobicContact CD1-CG2 4.11Å |
| 82 | P | 91.9 | Very high | 95.9 | Very high | 89 Ų | 89 | 25.9 Ų | 25.9 | 58% | 0.578 | 15% | 0.145 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -31.2 | 179.5 | -32.4 | 42.5 | 0 | 0 | 0 | 114.3 | E132 | P82-E132 WeakPolarHBondContact CB-OE2 3.48Å; P82-E132 WeakPolarHBondContact CG-OE2 3.46Å |
| 83 | S | 89 | Confident | 95.7 | Very high | 52 Ų | 52 | 25.6 Ų | 25.6 | 36% | 0.364 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | -28.6 | 178 | 56.7 | 0 | 0 | 0 | 0 | 115.4 | L81 | L81-S83 PolarHBondContact O-N 3.2Š|
| 84 | R | 92.6 | Very high | 95.6 | Very high | 28 Ų | 28 | 25.4 Ų | 25.4 | 11% | 0.106 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -169.1 | 150.1 | -174.8 | 67.6 | -176.1 | -155.4 | 167 | 4.8 | 112.8 | L81 I86 P150 G153 I156 | L81-R84 VanDerWaalsContact CB-O 3.31Å; L81-R84 WeakPolarHBondContact CB-O 3.39Å; L81-R84 PolarHBondContact N-O 3.03Å; L81-R84 VanDerWaalsContact N-O 3.16Å; L81-R84 CarbonylContact O-C 3.56Å; L81-R84 PolarHBondContact O-N 2.85Å; L81-R84 VanDerWaalsContact O-N 3.1Å; R84-I86 HydrophobicContact CG-CD1 4.39Å; R84-I86 HydrophobicContact CG-CG1 4.15Å; R84-P150 PolarHBondContact NE-O 3.25Å; R84-G153 PolarHBondContact NH1-O 3.32Å; R84-I156 VanDerWaalsContact NH2-CD1 3.34Å |
| 85 | D | 95.1 | Very high | 95.5 | Very high | 43 Ų | 43 | 24.3 Ų | 24.3 | 23% | 0.23 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 131.1 | 172.8 | -59.3 | -29.1 | 0 | 0 | 0 | 110.2 | L24 V80 S100 | L24-D85 HydrophobicContact CD2-CB 4.38Å; V80-D85 WeakPolarHBondContact CG1-OD1 3.3Å; D85-S100 WeakPolarHBondContact O-CB 3.23Å |
| 86 | I | 97.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 129.6 | 178.3 | -65.8 | -65.7 | 0 | 0 | 0 | 109.8 | W78 C79 R84 V88 M97 V106 I135 V149 | W78-I86 WeakPolarHBondContact CA-O 3.46Å; C79-I86 PolarHBondContact N-O 2.74Å; C79-I86 PolarHBondContact O-N 3.38Å; R84-I86 HydrophobicContact CG-CD1 4.39Å; R84-I86 HydrophobicContact CG-CG1 4.15Å; I86-V88 HydrophobicContact CG2-CG2 3.94Å; I86-M97 HydrophobicContact CG2-CB 3.81Å; I86-M97 HydrophobicContact CG2-CG 4.41Å; I86-V106 HydrophobicContact CD1-CG2 4.32Å; I86-I135 HydrophobicContact CB-CD1 3.99Å; I86-I135 HydrophobicContact CG2-CD1 3.9Å; I86-V149 HydrophobicContact CG1-CG1 4.43Å |
| 87 | L | 98.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 119.1 | 171.3 | 175.9 | 64.9 | 0 | 0 | 0 | 109 | T35 M44 L59 W78 L89 M97 Y98 | T35-L87 HydrophobicContact CG2-CD1 3.86Å; M44-L87 HydrophobicContact CE-CD2 3.55Å; M44-L87 HydrophobicContact SD-CD2 3.72Å; L59-L87 HydrophobicContact CD2-CD2 4.06Å; W78-L87 HydrophobicContact CD2-CD1 4.26Å; W78-L87 HydrophobicContact CG-CD1 4.31Å; L87-L89 HydrophobicContact CD1-CD2 4.24Å; L87-L89 HydrophobicContact CD2-CD2 4.41Å; L87-L89 HydrophobicContact CG-CD2 4.11Å; L87-M97 WeakPolarHBondContact O-CA 3.49Å; L87-Y98 PolarHBondContact N-O 3.25Å; L87-Y98 PolarHBondContact O-N 3.12Å |
| 88 | V | 98.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 127.9 | -179.7 | -175.2 | 0 | 0 | 0 | 0 | 109.5 | A76 A77 C79 I86 T90 I95 Q96 M97 I127 I135 V137 | A76-V88 WeakPolarHBondContact CA-O 3.39Å; A77-V88 PolarHBondContact N-O 3.35Å; A77-V88 PolarHBondContact O-N 2.98Å; C79-V88 HydrophobicContact CB-CG2 4.3Å; I86-V88 HydrophobicContact CG2-CG2 3.94Å; V88-T90 HydrophobicContact CG1-CG2 4.42Å; V88-I95 HydrophobicContact CG1-CG2 3.89Å; V88-Q96 WeakPolarHBondContact CA-O 3.46Å; V88-M97 HydrophobicContact CG1-CG 4.5Å; V88-M97 HydrophobicContact CG2-CG 4.28Å; V88-I127 HydrophobicContact CB-CD1 4.15Å; V88-I127 HydrophobicContact CB-CG2 3.99Å; V88-I127 HydrophobicContact CG1-CD1 3.98Å; V88-I127 HydrophobicContact CG1-CG1 4.35Å; V88-I127 HydrophobicContact CG1-CG2 4.14Å; V88-I127 HydrophobicContact CG2-CG2 4.29Å; V88-I135 HydrophobicContact CG2-CD1 3.96Å; V88-I135 HydrophobicContact CG2-CG2 4.07Å; V88-V137 HydrophobicContact CG1-CG2 4.37Å |
| 89 | L | 98.1 | Very high | 95.1 | Very high | 2 Ų | 2 | 25 Ų | 25 | 1% | 0.01 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 127.9 | 171.6 | -49.4 | -170.1 | 0 | 0 | 0 | 109.2 | V42 L59 I73 A76 L87 I95 Q96 Y98 | V42-L89 HydrophobicContact CG2-CD1 3.98Å; V42-L89 HydrophobicContact CG2-CD2 3.77Å; L59-L89 HydrophobicContact CD2-CD1 3.68Å; L59-L89 HydrophobicContact CD2-CG 4.46Å; L59-L89 HydrophobicContact CG-CD1 4.02Å; I73-L89 HydrophobicContact CD1-CD1 4.23Å; A76-L89 HydrophobicContact CB-CD2 3.48Å; A76-L89 VanDerWaalsContact CB-CD2 3.48Å; L87-L89 HydrophobicContact CD1-CD2 4.24Å; L87-L89 HydrophobicContact CD2-CD2 4.41Å; L87-L89 HydrophobicContact CG-CD2 4.11Å; L89-I95 CarbonylContact O-C 3.5Å; L89-I95 WeakPolarHBondContact O-CA 3.46Å; L89-Q96 HydrophobicContact CB-CB 4.31Å; L89-Q96 PolarHBondContact N-O 3.12Å; L89-Q96 PolarHBondContact O-N 3.37Å; L89-Y98 HydrophobicContact CD1-CD2 4.39Å; L89-Y98 HydrophobicContact CD1-CE2 3.85Å; L89-Y98 HydrophobicContact CG-CD2 4.28Å; L89-Y98 HydrophobicContact CG-CE2 4.12Å |
| 90 | T | 97.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 144.7 | 173.2 | 57.7 | 0 | 0 | 0 | 0 | 109.5 | I73 M74 Q75 V88 I95 A124 I127 V137 | I73-T90 CarbonylContact C-O 3.54Å; I73-T90 WeakPolarHBondContact CA-O 3.42Å; I73-T90 WeakPolarHBondContact CG2-O 3.47Å; M74-T90 PolarHBondContact N-O 2.85Å; Q75-T90 WeakPolarHBondContact CB-OG1 3.32Å; Q75-T90 PolarHBondContact N-OG1 3.15Å; Q75-T90 PolarHBondContact O-N 2.88Å; Q75-T90 PolarHBondContact O-OG1 2.9Å; V88-T90 HydrophobicContact CG1-CG2 4.42Å; T90-I95 HydrophobicContact CG2-CG1 4.42Å; T90-A124 VanDerWaalsContact CB-O 3.23Å; T90-A124 WeakPolarHBondContact CB-O 3.29Å; T90-A124 HydrophobicContact CG2-CB 3.9Å; T90-A124 PolarHBondContact OG1-O 2.94Å; T90-I127 HydrophobicContact CG2-CD1 3.71Å; T90-I127 HydrophobicContact CG2-CG1 3.75Å; T90-V137 HydrophobicContact CG2-CG1 3.54Å |
| 91 | S | 95.5 | Very high | 94.8 | Very high | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.007 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 177.9 | -173.2 | 69.3 | 0 | 0 | 0 | 0 | 111.1 | L72 K93 G94 F123 A124 | L72-S91 CarbonylContact O-C 3.57Å; L72-S91 WeakPolarHBondContact O-CA 3.43Å; L72-S91 VanDerWaalsContact O-CB 3.25Å; L72-S91 WeakPolarHBondContact O-CB 3.07Å; S91-K93 PolarHBondContact O-N 3.45Å; S91-K93 PolarHBondContact OG-N 2.92Å; S91-G94 PolarHBondContact N-O 2.82Å; S91-G94 PolarHBondContact OG-N 3.1Å; S91-G94 VanDerWaalsContact OG-N 3.12Å; S91-G94 PolarHBondContact OG-O 2.95Å; S91-F123 WeakPolarHBondContact O-CA 3.21Å; S91-A124 PolarHBondContact O-N 3.43Å |
| 92 | Q | 91.9 | Very high | 94.7 | Very high | 77 Ų | 77 | 25.7 Ų | 25.7 | 36% | 0.36 | 14% | 0.139 | S | C | . | . | S | Bend | trans | -66.8 | -12 | 170.9 | -63.3 | 179.2 | -44.9 | 0 | 0 | 113.8 | S71 L72 M74 V122 F123 | S71-Q92 WeakPolarHBondContact OG-CB 3.04Å; S71-Q92 PolarHBondContact OG-N 2.97Å; L72-Q92 HydrophobicContact CB-CG 4.2Å; L72-Q92 PolarHBondContact O-N 3.36Å; L72-Q92 VanDerWaalsContact O-N 3.07Å; M74-Q92 HydrophobicContact SD-CG 4.11Å; Q92-V122 CarbonylContact C-O 3.59Å; Q92-V122 VanDerWaalsContact CA-O 3.28Å; Q92-V122 WeakPolarHBondContact CA-O 2.97Å; Q92-F123 HydrophobicContact CG-CB 4.33Å |
| 93 | K | 89.4 | Confident | 94.7 | Very high | 74 Ų | 74 | 23.9 Ų | 23.9 | 32% | 0.322 | 13% | 0.129 | S | C | . | . | S | Bend | trans | -113.1 | -20.4 | -174.2 | -69.3 | -70 | 175.7 | -171.7 | 0 | 114.1 | S71 S91 W108 L111 D112 | S71-K93 VanDerWaalsContact OG-CG 3.32Å; S71-K93 WeakPolarHBondContact OG-CG 3.39Å; S71-K93 PolarHBondContact OG-N 2.94Å; S91-K93 PolarHBondContact O-N 3.45Å; S91-K93 PolarHBondContact OG-N 2.92Å; K93-W108 HydrophobicContact CB-CH2 4.12Å; K93-L111 PolarHBondContact O-N 2.84Å; K93-D112 WeakPolarHBondContact CD-OD2 3.32Å; K93-D112 IonicContact NZ-OD2 3.93Å; K93-D112 PolarHBondContact NZ-OD2 2.81Å |
| 94 | G | 93.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 168.3 | -179.7 | -166 | 0 | 0 | 0 | 0 | 0 | 114.8 | S91 H109 | S91-G94 PolarHBondContact N-O 2.82Å; S91-G94 PolarHBondContact OG-N 3.1Å; S91-G94 VanDerWaalsContact OG-N 3.12Å; S91-G94 PolarHBondContact OG-O 2.95Å; G94-H109 CarbonylContact C-O 3.54Å; G94-H109 WeakPolarHBondContact CA-O 3.37Å |
| 95 | I | 96.6 | Very high | 95 | 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 | -116.3 | 122.5 | 178.2 | -54.8 | 165.8 | 0 | 0 | 0 | 107.1 | V88 L89 T90 M97 W108 H109 A124 V137 L145 F147 | V88-I95 HydrophobicContact CG1-CG2 3.89Å; L89-I95 CarbonylContact O-C 3.5Å; L89-I95 WeakPolarHBondContact O-CA 3.46Å; T90-I95 HydrophobicContact CG2-CG1 4.42Å; I95-M97 HydrophobicContact CG2-CE 4.15Å; I95-M97 HydrophobicContact CG2-CG 4.49Å; I95-W108 WeakPolarHBondContact O-CA 3.36Å; I95-H109 HydrophobicContact CB-CB 4.27Å; I95-H109 PolarHBondContact N-O 2.57Å; I95-H109 PolarHBondContact O-N 2.91Å; I95-A124 HydrophobicContact CD1-CB 4.18Å; I95-A124 HydrophobicContact CG1-CB 3.71Å; I95-V137 HydrophobicContact CD1-CB 3.79Å; I95-V137 HydrophobicContact CD1-CG1 3.53Å; I95-V137 HydrophobicContact CD1-CG2 4.22Å; I95-V137 HydrophobicContact CG1-CG1 3.97Å; I95-V137 HydrophobicContact CG2-CG2 4.23Å; I95-L145 HydrophobicContact CD1-CD1 3.84Å; I95-F147 HydrophobicContact CD1-CE2 3.77Å; I95-F147 HydrophobicContact CD1-CZ 3.83Å |
| 96 | Q | 96.3 | Very high | 95 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 131.7 | 174.6 | -60.2 | 161.6 | 38.4 | 0 | 0 | 108.4 | S61 K62 V88 L89 Y98 M105 W108 | S61-Q96 PolarHBondContact OG-NE2 2.93Å; K62-Q96 PolarHBondContact O-NE2 2.74Å; V88-Q96 WeakPolarHBondContact CA-O 3.46Å; L89-Q96 HydrophobicContact CB-CB 4.31Å; L89-Q96 PolarHBondContact N-O 3.12Å; L89-Q96 PolarHBondContact O-N 3.37Å; Q96-Y98 HydrophobicContact CB-CD2 4.13Å; Q96-Y98 HydrophobicContact CB-CE2 3.43Å; Q96-Y98 VanDerWaalsContact CB-CE2 3.43Å; Q96-Y98 HydrophobicContact CG-CE2 4.33Å; Q96-Y98 PolarHBondContact OE1-OH 3.44Å; Q96-M105 HydrophobicContact CB-SD 4.12Å; Q96-M105 HydrophobicContact CG-SD 3.97Å; Q96-W108 HydrophobicContact CB-CE3 4.33Å; Q96-W108 HydrophobicContact CG-CD2 4.49Å; Q96-W108 HydrophobicContact CG-CE3 3.26Å; Q96-W108 HydrophobicContact CG-CZ3 3.4Å; Q96-W108 VanDerWaalsContact CG-CZ3 3.4Å |
| 97 | M | 97.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 131.1 | 172.4 | -52.6 | -175.1 | -178.7 | 0 | 0 | 109.2 | I86 L87 V88 I95 M105 V106 Y107 I135 F147 I156 | I86-M97 HydrophobicContact CG2-CB 3.81Å; I86-M97 HydrophobicContact CG2-CG 4.41Å; L87-M97 WeakPolarHBondContact O-CA 3.49Å; V88-M97 HydrophobicContact CG1-CG 4.5Å; V88-M97 HydrophobicContact CG2-CG 4.28Å; I95-M97 HydrophobicContact CG2-CE 4.15Å; I95-M97 HydrophobicContact CG2-CG 4.49Å; M97-M105 CarbonylContact O-C 3.55Å; M97-M105 WeakPolarHBondContact O-CA 3.35Å; M97-V106 HydrophobicContact CB-CG2 4.16Å; M97-V106 WeakPolarHBondContact O-CG2 3.31Å; M97-V106 PolarHBondContact O-N 3.33Å; M97-Y107 HydrophobicContact CE-CD1 4.18Å; M97-Y107 HydrophobicContact CG-CD1 4.23Å; M97-Y107 PolarHBondContact N-O 3.2Å; M97-Y107 PolarHBondContact O-N 3.42Å; M97-Y107 HydrophobicContact SD-CD1 4.01Å; M97-I135 HydrophobicContact CE-CB 4.41Å; M97-I135 HydrophobicContact CE-CG2 4.04Å; M97-I135 HydrophobicContact SD-CD1 4.31Å; M97-F147 HydrophobicContact CE-CB 3.93Å; M97-F147 HydrophobicContact CE-CD1 4.21Å; M97-F147 HydrophobicContact CE-CD2 3.49Å; M97-F147 VanDerWaalsContact CE-CD2 3.49Å; M97-F147 HydrophobicContact CE-CE2 4.03Å; M97-F147 HydrophobicContact CE-CG 3.6Å; M97-I156 HydrophobicContact CB-CD1 4.29Å; M97-I156 HydrophobicContact CE-CG2 4.49Å; M97-I156 HydrophobicContact SD-CD1 3.67Å; M97-I156 HydrophobicContact SD-CG2 4.01Å |
| 98 | Y | 96.5 | Very high | 94.6 | Very high | 1 Ų | 1 | 32.3 Ų | 32.3 | 0% | 0.004 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 158.1 | -178.9 | -66.9 | -100.2 | 0 | 0 | 0 | 110.4 | L59 L87 L89 Q96 I104 M105 | L59-Y98 HydrophobicContact CD1-CD1 4.43Å; L59-Y98 HydrophobicContact CD1-CE1 3.8Å; L59-Y98 HydrophobicContact CD2-CD1 4.12Å; L59-Y98 HydrophobicContact CD2-CD2 3.93Å; L59-Y98 HydrophobicContact CD2-CE1 4.05Å; L59-Y98 HydrophobicContact CD2-CE2 3.83Å; L59-Y98 HydrophobicContact CD2-CG 4.08Å; L59-Y98 HydrophobicContact CG-CE1 4.46Å; L87-Y98 PolarHBondContact N-O 3.25Å; L87-Y98 PolarHBondContact O-N 3.12Å; L89-Y98 HydrophobicContact CD1-CD2 4.39Å; L89-Y98 HydrophobicContact CD1-CE2 3.85Å; L89-Y98 HydrophobicContact CG-CD2 4.28Å; L89-Y98 HydrophobicContact CG-CE2 4.12Å; Q96-Y98 HydrophobicContact CB-CD2 4.13Å; Q96-Y98 HydrophobicContact CB-CE2 3.43Å; Q96-Y98 VanDerWaalsContact CB-CE2 3.43Å; Q96-Y98 HydrophobicContact CG-CE2 4.33Å; Q96-Y98 PolarHBondContact OE1-OH 3.44Å; Y98-I104 CarbonylContact C-O 3.59Å; Y98-I104 WeakPolarHBondContact CA-O 3.33Å; Y98-I104 WeakPolarHBondContact CB-O 3.15Å; Y98-M105 HydrophobicContact CD1-CB 3.81Å; Y98-M105 HydrophobicContact CD1-CG 4.4Å; Y98-M105 HydrophobicContact CE1-CB 3.51Å; Y98-M105 HydrophobicContact CE1-CG 4.04Å; Y98-M105 HydrophobicContact CE2-CG 4.31Å; Y98-M105 HydrophobicContact CG-CB 4.47Å |
| 99 | E | 94.4 | Very high | 94.4 | Very high | 65 Ų | 65 | 34.2 Ų | 34.2 | 30% | 0.304 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -51.6 | 152 | 156.5 | -65.3 | -62.9 | 159.1 | 0 | 0 | 110 | D101 G102 I104 V106 | E99-D101 PolarHBondContact O-N 2.92Å; E99-G102 PolarHBondContact O-N 3.32Å; E99-I104 HydrophobicContact CG-CB 4.1Å; E99-I104 PolarHBondContact N-O 2.97Å; E99-V106 HydrophobicContact CG-CG1 4.01Å; E99-V106 WeakPolarHBondContact OE1-CG1 3.25Å |
| 100 | S | 93.9 | Very high | 94.2 | Very high | 38 Ų | 38 | 36.5 Ų | 36.5 | 27% | 0.266 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -26.5 | -169.8 | 60.3 | 0 | 0 | 0 | 0 | 115.3 | W78 D85 G102 | W78-S100 PolarHBondContact NE1-O 3.11Å; D85-S100 WeakPolarHBondContact O-CB 3.23Å; S100-G102 VanDerWaalsContact C-N 3.31Å |
| 101 | D | 92.5 | Very high | 93.8 | Very high | 68 Ų | 68 | 37.6 Ų | 37.6 | 36% | 0.364 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | 0.1 | 177.5 | 74.2 | -10.2 | 0 | 0 | 0 | 114 | R57 E99 S103 | R57-D101 PolarHBondContact NH1-O 2.92Å; E99-D101 PolarHBondContact O-N 2.92Å; D101-S103 VanDerWaalsContact C-N 3.26Å; D101-S103 VanDerWaalsContact CG-OG 3.32Å; D101-S103 PolarHBondContact O-N 2.91Å; D101-S103 WeakPolarHBondContact OD1-CB 3.08Å; D101-S103 PolarHBondContact OD1-N 2.84Å; D101-S103 PolarHBondContact OD1-OG 3Å; D101-S103 WeakPolarHBondContact OD2-CB 3.39Å; D101-S103 PolarHBondContact OD2-OG 3Å |
| 102 | G | 92.8 | Very high | 92.7 | Very high | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | S | Bend | trans | 71 | 15.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | R57 E99 S100 | R57-G102 PolarHBondContact NH2-O 2.83Å; E99-G102 PolarHBondContact O-N 3.32Å; S100-G102 VanDerWaalsContact C-N 3.31Å |
| 103 | S | 92.1 | Very high | 91.3 | Very high | 51 Ų | 51 | 40.8 Ų | 40.8 | 36% | 0.357 | 22% | 0.219 | S | C | . | . | trans | -75.1 | -46.2 | -175.8 | 62.2 | 0 | 0 | 0 | 0 | 114 | D101 | D101-S103 VanDerWaalsContact C-N 3.26Å; D101-S103 VanDerWaalsContact CG-OG 3.32Å; D101-S103 PolarHBondContact O-N 2.91Å; D101-S103 WeakPolarHBondContact OD1-CB 3.08Å; D101-S103 PolarHBondContact OD1-N 2.84Å; D101-S103 PolarHBondContact OD1-OG 3Å; D101-S103 WeakPolarHBondContact OD2-CB 3.39Å; D101-S103 PolarHBondContact OD2-OG 3Å | ||
| 104 | I | 92.5 | Very high | 89.7 | Confident | 105 Ų | 105 | 44 Ų | 44 | 54% | 0.538 | 25% | 0.247 | S | C | . | . | trans | -125.4 | 125.8 | -171.5 | -63.2 | 165.8 | 0 | 0 | 0 | 108.2 | Y98 E99 V106 | Y98-I104 CarbonylContact C-O 3.59Å; Y98-I104 WeakPolarHBondContact CA-O 3.33Å; Y98-I104 WeakPolarHBondContact CB-O 3.15Å; E99-I104 HydrophobicContact CG-CB 4.1Å; E99-I104 PolarHBondContact N-O 2.97Å; I104-V106 HydrophobicContact CG2-CG1 4.27Å; I104-V106 PolarHBondContact O-N 2.86Å | ||
| 105 | M | 93.9 | Very high | 87.9 | Confident | 74 Ų | 74 | 52.5 Ų | 52.5 | 37% | 0.365 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 118.9 | 168.5 | -168.4 | 170.7 | 69 | 0 | 0 | 108 | Q96 M97 Y98 W108 | Q96-M105 HydrophobicContact CB-SD 4.12Å; Q96-M105 HydrophobicContact CG-SD 3.97Å; M97-M105 CarbonylContact O-C 3.55Å; M97-M105 WeakPolarHBondContact O-CA 3.35Å; Y98-M105 HydrophobicContact CD1-CB 3.81Å; Y98-M105 HydrophobicContact CD1-CG 4.4Å; Y98-M105 HydrophobicContact CE1-CB 3.51Å; Y98-M105 HydrophobicContact CE1-CG 4.04Å; Y98-M105 HydrophobicContact CE2-CG 4.31Å; Y98-M105 HydrophobicContact CG-CB 4.47Å; M105-W108 HydrophobicContact CE-CB 4.28Å; M105-W108 HydrophobicContact SD-CB 4.45Å |
| 106 | V | 94.9 | Very high | 86.2 | Confident | 18 Ų | 18 | 55 Ų | 55 | 11% | 0.109 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | -19.6 | -178 | -65.5 | 0 | 0 | 0 | 0 | 112.6 | I86 M97 E99 I104 S154 I156 | I86-V106 HydrophobicContact CD1-CG2 4.32Å; M97-V106 HydrophobicContact CB-CG2 4.16Å; M97-V106 WeakPolarHBondContact O-CG2 3.31Å; M97-V106 PolarHBondContact O-N 3.33Å; E99-V106 HydrophobicContact CG-CG1 4.01Å; E99-V106 WeakPolarHBondContact OE1-CG1 3.25Å; I104-V106 HydrophobicContact CG2-CG1 4.27Å; I104-V106 PolarHBondContact O-N 2.86Å; V106-S154 WeakPolarHBondContact O-CB 3.47Å; V106-I156 HydrophobicContact CG2-CD1 3.94Å |
| 107 | Y | 95.3 | Very high | 84.3 | Confident | 43 Ų | 43 | 62 Ų | 62 | 17% | 0.169 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 149.4 | 178.8 | -174.4 | -105 | 0 | 0 | 0 | 111.9 | M97 H109 F147 I156 | M97-Y107 HydrophobicContact CE-CD1 4.18Å; M97-Y107 HydrophobicContact CG-CD1 4.23Å; M97-Y107 PolarHBondContact N-O 3.2Å; M97-Y107 PolarHBondContact O-N 3.42Å; M97-Y107 HydrophobicContact SD-CD1 4.01Å; Y107-H109 HydrophobicContact CE1-CB 3.76Å; Y107-F147 AromaticContact CE1-CD1 3.68Å; Y107-F147 HydrophobicContact CE1-CD1 3.68Å; Y107-F147 AromaticContact CE1-CE1 3.52Å; Y107-F147 HydrophobicContact CE1-CE1 3.52Å; Y107-F147 HydrophobicContact CE1-CZ 4.35Å; Y107-F147 AromaticContact CZ-CE1 3.94Å; Y107-I156 HydrophobicContact CD1-CB 4.38Å; Y107-I156 HydrophobicContact CD1-CG2 3.97Å; Y107-I156 HydrophobicContact CD2-CB 3.7Å; Y107-I156 HydrophobicContact CD2-CG2 4.04Å; Y107-I156 WeakPolarHBondContact CD2-O 3.47Å; Y107-I156 HydrophobicContact CE1-CG2 4.17Å; Y107-I156 HydrophobicContact CE2-CB 4.23Å; Y107-I156 HydrophobicContact CE2-CG2 4.27Å; Y107-I156 WeakPolarHBondContact CE2-O 3.09Å; Y107-I156 HydrophobicContact CG-CB 3.79Å; Y107-I156 HydrophobicContact CG-CD1 4.29Å; Y107-I156 HydrophobicContact CG-CG2 3.89Å |
| 108 | W | 93.9 | Very high | 82.4 | Confident | 60 Ų | 60 | 69.5 Ų | 69.5 | 23% | 0.227 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 132.1 | 174.2 | 165.6 | -105.3 | 0 | 0 | 0 | 109.6 | K93 I95 Q96 M105 A110 | K93-W108 HydrophobicContact CB-CH2 4.12Å; I95-W108 WeakPolarHBondContact O-CA 3.36Å; Q96-W108 HydrophobicContact CB-CE3 4.33Å; Q96-W108 HydrophobicContact CG-CD2 4.49Å; Q96-W108 HydrophobicContact CG-CE3 3.26Å; Q96-W108 HydrophobicContact CG-CZ3 3.4Å; Q96-W108 VanDerWaalsContact CG-CZ3 3.4Å; M105-W108 HydrophobicContact CE-CB 4.28Å; M105-W108 HydrophobicContact SD-CB 4.45Å; W108-A110 HydrophobicContact CZ2-CB 4.28Å |
| 109 | H | 94.1 | Very high | 80.6 | Confident | 41 Ų | 41 | 74 Ų | 74 | 19% | 0.19 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 119.4 | 172.8 | -170.1 | 92.5 | 0 | 0 | 0 | 109 | G94 I95 Y107 F147 | G94-H109 CarbonylContact C-O 3.54Å; G94-H109 WeakPolarHBondContact CA-O 3.37Å; I95-H109 HydrophobicContact CB-CB 4.27Å; I95-H109 PolarHBondContact N-O 2.57Å; I95-H109 PolarHBondContact O-N 2.91Å; Y107-H109 HydrophobicContact CE1-CB 3.76Å; H109-F147 HydrophobicContact CB-CE1 4.23Å; H109-F147 HydrophobicContact CB-CZ 4.17Å; H109-F147 AromaticContact CG-CZ 3.99Å; H109-F147 AromaticContact ND1-CE1 3.82Å |
| 110 | A | 92.4 | Very high | 79.2 | Confident | 50 Ų | 50 | 77.6 Ų | 77.6 | 41% | 0.413 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 140.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | W108 | W108-A110 HydrophobicContact CZ2-CB 4.28Å |
| 111 | L | 89.3 | Confident | 78.3 | Confident | 23 Ų | 23 | 79.3 Ų | 79.3 | 12% | 0.12 | 45% | 0.452 | C | S | . | . | trans | -91.9 | -31.6 | 174.3 | -64.7 | 170.9 | 0 | 0 | 0 | 112.5 | K93 T113 V122 F123 A124 I139 L145 | K93-L111 PolarHBondContact O-N 2.84Å; L111-T113 PolarHBondContact O-N 3.3Å; L111-T113 VanDerWaalsContact O-N 3.16Å; L111-V122 HydrophobicContact CB-CG1 3.53Å; L111-V122 HydrophobicContact CD1-CG1 4.13Å; L111-V122 HydrophobicContact CG-CG1 4.44Å; L111-F123 VanDerWaalsContact CD1-C 3.41Å; L111-A124 HydrophobicContact CD1-CB 3.76Å; L111-A124 VanDerWaalsContact CD1-N 3.27Å; L111-I139 HydrophobicContact CD2-CG2 3.66Å; L111-L145 HydrophobicContact CD2-CD1 4.34Å | ||
| 112 | D | 73.8 | Confident | 78.1 | Confident | 68 Ų | 68 | 77.6 Ų | 77.6 | 36% | 0.364 | 44% | 0.444 | S | S | . | . | trans | -74.1 | 106.5 | -179.4 | -69.2 | -14.2 | 0 | 0 | 0 | 109.8 | K93 | K93-D112 WeakPolarHBondContact CD-OD2 3.32Å; K93-D112 IonicContact NZ-OD2 3.93Å; K93-D112 PolarHBondContact NZ-OD2 2.81Å | ||
| 113 | T | 62 | Low | 78.2 | Confident | 77 Ų | 77 | 79.1 Ų | 79.1 | 47% | 0.472 | 45% | 0.45 | S | S | . | . | trans | -96.9 | 152.6 | 163.3 | 63 | 0 | 0 | 0 | 0 | 109.8 | L111 E115 T116 | L111-T113 PolarHBondContact O-N 3.3Å; L111-T113 VanDerWaalsContact O-N 3.16Å; T113-E115 PolarHBondContact O-N 3.05Å; T113-T116 PolarHBondContact N-OG1 3.1Å; T113-T116 WeakPolarHBondContact O-CB 3.45Å; T113-T116 PolarHBondContact O-N 3.37Å; T113-T116 PolarHBondContact O-OG1 2.76Å; T113-T116 PolarHBondContact OG1-OG1 3.27Å | ||
| 114 | P | 55.5 | Low | 78.4 | Confident | 142 Ų | 142 | 76.7 Ų | 76.7 | 92% | 0.922 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -15.6 | 178.5 | -24 | 32.8 | 0 | 0 | 0 | 114.9 | ||
| 115 | E | 55 | Low | 78.7 | Confident | 178 Ų | 178 | 72.8 Ų | 72.8 | 83% | 0.832 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.4 | -8.6 | -177.8 | -64.9 | 168.5 | -175.3 | 0 | 0 | 113 | T113 Q117 | T113-E115 PolarHBondContact O-N 3.05Å; E115-Q117 PolarHBondContact O-N 3.38Å |
| 116 | T | 60.9 | Low | 78.9 | Confident | 52 Ų | 52 | 69.2 Ų | 69.2 | 32% | 0.319 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -71.1 | 121 | -176.8 | -37.7 | 0 | 0 | 0 | 0 | 110.2 | T113 T118 V122 | T113-T116 PolarHBondContact N-OG1 3.1Å; T113-T116 WeakPolarHBondContact O-CB 3.45Å; T113-T116 PolarHBondContact O-N 3.37Å; T113-T116 PolarHBondContact O-OG1 2.76Å; T113-T116 PolarHBondContact OG1-OG1 3.27Å; T116-T118 PolarHBondContact O-N 3.38Å; T116-V122 HydrophobicContact CG2-CG2 3.61Å |
| 117 | Q | 57.7 | Low | 79.1 | Confident | 147 Ų | 147 | 69 Ų | 69 | 69% | 0.687 | 39% | 0.392 | S | S | * | . | trans | -61.9 | 127.3 | 177.6 | -69.9 | -179.8 | 18 | 0 | 0 | 110 | E115 A119 Q120 | E115-Q117 PolarHBondContact O-N 3.38Å; Q117-A119 PolarHBondContact O-N 3.43Å; Q117-Q120 PolarHBondContact O-N 3.23Å | ||
| 118 | T | 57.4 | Low | 79.2 | Confident | 157 Ų | 157 | 67.2 Ų | 67.2 | 96% | 0.963 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -5.9 | -174.1 | 21.4 | 0 | 0 | 0 | 0 | 115.7 | T116 | T116-T118 PolarHBondContact O-N 3.38Š|
| 119 | A | 57.5 | Low | 79.4 | Confident | 97 Ų | 97 | 65.6 Ų | 65.6 | 80% | 0.802 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.4 | -14.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q117 | Q117-A119 PolarHBondContact O-N 3.43Š|
| 120 | Q | 66.5 | Low | 79.4 | Confident | 139 Ų | 139 | 63.7 Ų | 63.7 | 65% | 0.65 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -96 | 136.1 | -179.8 | -74.9 | -177.1 | -21 | 0 | 0 | 111.3 | Q117 V122 | Q117-Q120 PolarHBondContact O-N 3.23Å; Q120-V122 PolarHBondContact O-N 3.19Å |
| 121 | A | 73.6 | Confident | 79.2 | Confident | 74 Ų | 74 | 66.8 Ų | 66.8 | 61% | 0.612 | 38% | 0.378 | S | S | * | . | P | Polyproline II helix | trans | -67.7 | 119.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | S140 | A121-S140 WeakPolarHBondContact O-CB 3.29Å; A121-S140 PolarHBondContact O-OG 3.25Å |
| 122 | V | 89.9 | Confident | 79.1 | Confident | 32 Ų | 32 | 71 Ų | 71 | 19% | 0.194 | 40% | 0.397 | C | S | . | . | P | Polyproline II helix | trans | -100 | 124.6 | 177.4 | -175.5 | 0 | 0 | 0 | 0 | 108.5 | Q92 L111 T116 Q120 S140 | Q92-V122 CarbonylContact C-O 3.59Å; Q92-V122 VanDerWaalsContact CA-O 3.28Å; Q92-V122 WeakPolarHBondContact CA-O 2.97Å; L111-V122 HydrophobicContact CB-CG1 3.53Å; L111-V122 HydrophobicContact CD1-CG1 4.13Å; L111-V122 HydrophobicContact CG-CG1 4.44Å; T116-V122 HydrophobicContact CG2-CG2 3.61Å; Q120-V122 PolarHBondContact O-N 3.19Å; V122-S140 WeakPolarHBondContact CA-OG 3.46Å |
| 123 | F | 94.3 | Very high | 80.1 | Confident | 34 Ų | 34 | 71.5 Ų | 71.5 | 15% | 0.149 | 40% | 0.396 | C | S | . | . | trans | -158.1 | 158.8 | 170.1 | 62.5 | -95 | 0 | 0 | 0 | 112.1 | M74 S91 Q92 L111 R125 I139 S140 | M74-F123 HydrophobicContact CE-CD2 4.24Å; M74-F123 HydrophobicContact CE-CG 4.21Å; M74-F123 HydrophobicContact CG-CB 3.88Å; M74-F123 HydrophobicContact CG-CD2 4.35Å; M74-F123 HydrophobicContact CG-CG 4.35Å; M74-F123 HydrophobicContact SD-CB 4.48Å; S91-F123 WeakPolarHBondContact O-CA 3.21Å; Q92-F123 HydrophobicContact CG-CB 4.33Å; L111-F123 VanDerWaalsContact CD1-C 3.41Å; F123-R125 HydrophobicContact CD2-CB 4.12Å; F123-R125 HydrophobicContact CE2-CB 4.17Å; F123-I139 CarbonylContact O-C 3.53Å; F123-I139 WeakPolarHBondContact O-CA 3.48Å; F123-S140 VanDerWaalsContact CE1-CB 3.43Å; F123-S140 PolarHBondContact N-OG 2.83Å; F123-S140 VanDerWaalsContact N-OG 3.12Å; F123-S140 PolarHBondContact O-N 2.66Å | ||
| 124 | A | 97.3 | Very high | 81.8 | Confident | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 144.4 | 165.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | M74 T90 S91 I95 L111 V137 G138 I139 | M74-A124 VanDerWaalsContact CB-O 3.22Å; M74-A124 WeakPolarHBondContact CB-O 3.42Å; T90-A124 VanDerWaalsContact CB-O 3.23Å; T90-A124 WeakPolarHBondContact CB-O 3.29Å; T90-A124 HydrophobicContact CG2-CB 3.9Å; T90-A124 PolarHBondContact OG1-O 2.94Å; S91-A124 PolarHBondContact O-N 3.43Å; I95-A124 HydrophobicContact CD1-CB 4.18Å; I95-A124 HydrophobicContact CG1-CB 3.71Å; L111-A124 HydrophobicContact CD1-CB 3.76Å; L111-A124 VanDerWaalsContact CD1-N 3.27Å; A124-V137 HydrophobicContact CB-CG1 3.86Å; A124-G138 CarbonylContact C-O 3.58Å; A124-G138 VanDerWaalsContact CA-O 3.25Å; A124-G138 WeakPolarHBondContact CA-O 3.41Å; A124-I139 HydrophobicContact CB-CG2 4.31Å |
| 125 | R | 97.3 | Very high | 83.8 | Confident | 22 Ų | 22 | 61.8 Ų | 61.8 | 8% | 0.083 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.6 | 159.2 | 173.3 | 174 | 172.7 | -82.6 | 172 | -3.4 | 109.3 | M74 F123 G138 T170 | M74-R125 HydrophobicContact CB-CB 4.32Å; M74-R125 PolarHBondContact O-NE 3.35Å; M74-R125 PolarHBondContact O-NH2 3.01Å; F123-R125 HydrophobicContact CD2-CB 4.12Å; F123-R125 HydrophobicContact CE2-CB 4.17Å; R125-G138 PolarHBondContact N-O 3.46Å; R125-G138 CarbonylContact O-C 3.2Å; R125-G138 WeakPolarHBondContact O-CA 3Å; R125-G138 PolarHBondContact O-N 3.07Å; R125-G138 VanDerWaalsContact O-N 3.1Å; R125-T170 WeakPolarHBondContact CD-O 3.31Å; R125-T170 WeakPolarHBondContact CG-O 3.22Å |
| 126 | G | 98.2 | Very high | 85.9 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 81.1 | 120.3 | -174.2 | 0 | 0 | 0 | 0 | 0 | 107.5 | Q75 V137 G138 L172 | Q75-G126 VanDerWaalsContact OE1-CA 3.22Å; G126-V137 VanDerWaalsContact O-CA 3.29Å; G126-V137 WeakPolarHBondContact O-CA 3.27Å; G126-G138 PolarHBondContact O-N 2.9Å; G126-G138 VanDerWaalsContact O-N 3.12Å; G126-L172 VanDerWaalsContact C-CD1 3.44Å; G126-L172 VanDerWaalsContact CA-CD1 3.46Å |
| 127 | I | 98.8 | Very high | 87.7 | Confident | 14 Ų | 14 | 50.8 Ų | 50.8 | 7% | 0.072 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 126.2 | -173.7 | -57.3 | 168.7 | 0 | 0 | 0 | 107.2 | Q75 A77 C79 V88 T90 C136 | Q75-I127 HydrophobicContact CB-CD1 4.08Å; Q75-I127 HydrophobicContact CG-CD1 3.99Å; A77-I127 HydrophobicContact CB-CB 4.18Å; A77-I127 HydrophobicContact CB-CD1 3.93Å; A77-I127 HydrophobicContact CB-CG2 4.22Å; C79-I127 WeakPolarHBondContact SG-CG2 3.45Å; V88-I127 HydrophobicContact CB-CD1 4.15Å; V88-I127 HydrophobicContact CB-CG2 3.99Å; V88-I127 HydrophobicContact CG1-CD1 3.98Å; V88-I127 HydrophobicContact CG1-CG1 4.35Å; V88-I127 HydrophobicContact CG1-CG2 4.14Å; V88-I127 HydrophobicContact CG2-CG2 4.29Å; T90-I127 HydrophobicContact CG2-CD1 3.71Å; T90-I127 HydrophobicContact CG2-CG1 3.75Å; I127-C136 WeakPolarHBondContact CA-O 3.05Å |
| 128 | A | 98.3 | Very high | 89.7 | Confident | 5 Ų | 5 | 43.8 Ų | 43.8 | 4% | 0.041 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 133.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | V130 I135 C136 L172 | A128-V130 HydrophobicContact CB-CG2 4.18Å; A128-I135 WeakPolarHBondContact O-CA 3.37Å; A128-C136 PolarHBondContact N-O 2.57Å; A128-C136 PolarHBondContact O-N 2.89Å; A128-L172 HydrophobicContact CB-CB 3.74Å; A128-L172 HydrophobicContact CB-CD2 4.45Å |
| 129 | A | 97.3 | Very high | 91.6 | Very high | 25 Ų | 25 | 37.5 Ų | 37.5 | 21% | 0.207 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 117.7 | 168.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | C79 L81 Y134 S174 | C79-A129 HydrophobicContact CB-CB 3.74Å; L81-A129 HydrophobicContact CD2-CB 3.94Å; A129-Y134 CarbonylContact C-O 3.57Å; A129-Y134 WeakPolarHBondContact CA-O 3.25Å; A129-S174 VanDerWaalsContact O-CB 3.29Å; A129-S174 WeakPolarHBondContact O-CB 3.45Å; A129-S174 PolarHBondContact O-OG 2.97Å |
| 130 | V | 95.3 | Very high | 93.4 | Very high | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.006 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 132.1 | -170.7 | -173.6 | 0 | 0 | 0 | 0 | 109.7 | A128 Y134 C136 S174 M186 S200 F204 | A128-V130 HydrophobicContact CB-CG2 4.18Å; V130-Y134 PolarHBondContact N-O 3.19Å; V130-Y134 WeakPolarHBondContact O-CB 3.31Å; V130-Y134 PolarHBondContact O-N 2.81Å; V130-C136 HydrophobicContact CG2-CB 4.47Å; V130-S174 WeakPolarHBondContact CG2-OG 3.23Å; V130-M186 HydrophobicContact CG1-CB 4.39Å; V130-M186 HydrophobicContact CG2-CB 4.14Å; V130-M186 HydrophobicContact CG2-CG 4.1Å; V130-M186 HydrophobicContact CG2-SD 3.68Å; V130-S200 VanDerWaalsContact CG1-OG 3.3Å; V130-S200 WeakPolarHBondContact CG1-OG 3.16Å; V130-F204 HydrophobicContact CB-CZ 4.27Å; V130-F204 HydrophobicContact CG1-CE1 4.07Å; V130-F204 HydrophobicContact CG1-CZ 4.03Å |
| 131 | R | 88.2 | Confident | 94.7 | Very high | 116 Ų | 116 | 30.4 Ų | 30.4 | 44% | 0.438 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.5 | -142.6 | -174.5 | -64.7 | 174 | 164.4 | -147.4 | -14.6 | 111.6 | D185 S200 G201 | R131-D185 IonicContact NE-OD2 3.41Å; R131-S200 WeakPolarHBondContact CD-OG 3.39Å; R131-S200 WeakPolarHBondContact CG-OG 3.23Å; R131-S200 VanDerWaalsContact NE-C 3.3Å; R131-S200 PolarHBondContact NE-O 3.49Å; R131-S200 PolarHBondContact NE-OG 3.21Å; R131-S200 VanDerWaalsContact NH2-C 3.31Å; R131-S200 PolarHBondContact NH2-O 2.94Å; R131-G201 VanDerWaalsContact CZ-CA 3.45Å; R131-G201 VanDerWaalsContact CZ-N 3.33Å; R131-G201 VanDerWaalsContact NH1-C 3.32Å; R131-G201 PolarHBondContact NH1-O 3.44Å; R131-G201 VanDerWaalsContact NH1-O 3.08Å |
| 132 | E | 87.5 | Confident | 95.8 | Very high | 112 Ų | 112 | 26.9 Ų | 26.9 | 52% | 0.523 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -22 | -173.5 | -59.9 | -62.8 | 131.7 | 0 | 0 | 113.5 | P82 | P82-E132 WeakPolarHBondContact CB-OE2 3.48Å; P82-E132 WeakPolarHBondContact CG-OE2 3.46Å |
| 133 | K | 94.3 | Very high | 96.1 | Very high | 78 Ų | 78 | 26 Ų | 26 | 34% | 0.339 | 13% | 0.13 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -148.9 | -5.6 | -163.3 | 68 | 173.4 | -174.2 | 155.9 | 0 | 116.8 | D148 V149 | K133-D148 WeakPolarHBondContact CE-OD2 3.17Å; K133-D148 IonicContact NZ-OD2 2.72Å; K133-D148 PolarHBondContact NZ-OD2 3.28Å; K133-V149 WeakPolarHBondContact O-CA 3.42Å; K133-V149 WeakPolarHBondContact O-CB 3.35Å; K133-V149 WeakPolarHBondContact O-CG2 3.15Å; K133-V149 PolarHBondContact O-N 2.77Å |
| 134 | Y | 97.1 | Very high | 96.3 | Very high | 14 Ų | 14 | 24.4 Ų | 24.4 | 6% | 0.055 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 137.4 | -175 | -63.4 | -67.7 | 0 | 0 | 0 | 111.4 | A129 V130 V146 F147 D148 F204 | A129-Y134 CarbonylContact C-O 3.57Å; A129-Y134 WeakPolarHBondContact CA-O 3.25Å; V130-Y134 PolarHBondContact N-O 3.19Å; V130-Y134 WeakPolarHBondContact O-CB 3.31Å; V130-Y134 PolarHBondContact O-N 2.81Å; Y134-V146 HydrophobicContact CD1-CG1 3.73Å; Y134-V146 HydrophobicContact CE1-CG1 4.36Å; Y134-V146 HydrophobicContact CG-CG1 4.18Å; Y134-F147 WeakPolarHBondContact CA-O 3.28Å; Y134-D148 HydrophobicContact CD1-CB 4.46Å; Y134-D148 HydrophobicContact CE1-CB 4.21Å; Y134-F204 HydrophobicContact CD1-CE2 4.47Å; Y134-F204 HydrophobicContact CD2-CE2 4.03Å; Y134-F204 HydrophobicContact CD2-CZ 4.3Å; Y134-F204 HydrophobicContact CE2-CE2 4.4Å; Y134-F204 HydrophobicContact CG-CE2 4.07Å; Y134-F204 HydrophobicContact CG-CZ 4.29Å |
| 135 | I | 98.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 121.8 | 163.6 | -68.4 | 177.6 | 0 | 0 | 0 | 107.1 | C79 L81 I86 V88 M97 A128 V137 F147 V149 | C79-I135 HydrophobicContact CB-CD1 3.57Å; C79-I135 HydrophobicContact CB-CG1 3.82Å; L81-I135 HydrophobicContact CD1-CD1 4.45Å; L81-I135 HydrophobicContact CD1-CG1 4.34Å; I86-I135 HydrophobicContact CB-CD1 3.99Å; I86-I135 HydrophobicContact CG2-CD1 3.9Å; V88-I135 HydrophobicContact CG2-CD1 3.96Å; V88-I135 HydrophobicContact CG2-CG2 4.07Å; M97-I135 HydrophobicContact CE-CB 4.41Å; M97-I135 HydrophobicContact CE-CG2 4.04Å; M97-I135 HydrophobicContact SD-CD1 4.31Å; A128-I135 WeakPolarHBondContact O-CA 3.37Å; I135-V137 HydrophobicContact CG2-CG2 4.09Å; I135-F147 PolarHBondContact N-O 2.54Å; I135-F147 WeakPolarHBondContact O-CD2 3.21Å; I135-F147 PolarHBondContact O-N 2.81Å; I135-V149 HydrophobicContact CB-CG2 4.2Å; I135-V149 HydrophobicContact CD1-CG2 3.73Å; I135-V149 HydrophobicContact CG1-CG2 3.76Å |
| 136 | C | 98.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 135.6 | 177.5 | -58.5 | 0 | 0 | 0 | 0 | 109.5 | I127 A128 V130 L145 L172 M186 F204 | I127-C136 WeakPolarHBondContact CA-O 3.05Å; A128-C136 PolarHBondContact N-O 2.57Å; A128-C136 PolarHBondContact O-N 2.89Å; V130-C136 HydrophobicContact CG2-CB 4.47Å; C136-L145 CarbonylContact C-O 3.6Å; C136-L145 WeakPolarHBondContact CA-O 3.4Å; C136-L172 HydrophobicContact CB-CD2 3.76Å; C136-M186 HydrophobicContact CB-SD 3.76Å; C136-M186 VanDerWaalsContact SG-SD 3.69Å; C136-F204 VanDerWaalsContact SG-CZ 3.59Å |
| 137 | V | 98.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 128.2 | 179.4 | -178.7 | 0 | 0 | 0 | 0 | 110.4 | V88 T90 I95 A124 G126 I135 M144 L145 F147 | V88-V137 HydrophobicContact CG1-CG2 4.37Å; T90-V137 HydrophobicContact CG2-CG1 3.54Å; I95-V137 HydrophobicContact CD1-CB 3.79Å; I95-V137 HydrophobicContact CD1-CG1 3.53Å; I95-V137 HydrophobicContact CD1-CG2 4.22Å; I95-V137 HydrophobicContact CG1-CG1 3.97Å; I95-V137 HydrophobicContact CG2-CG2 4.23Å; A124-V137 HydrophobicContact CB-CG1 3.86Å; G126-V137 VanDerWaalsContact O-CA 3.29Å; G126-V137 WeakPolarHBondContact O-CA 3.27Å; I135-V137 HydrophobicContact CG2-CG2 4.09Å; V137-M144 CarbonylContact O-C 3.58Å; V137-M144 WeakPolarHBondContact O-CA 3.44Å; V137-L145 PolarHBondContact N-O 3.27Å; V137-L145 PolarHBondContact O-N 3.2Å; V137-F147 HydrophobicContact CB-CE2 4.31Å; V137-F147 HydrophobicContact CG2-CD2 4.45Å; V137-F147 HydrophobicContact CG2-CE2 4.21Å |
| 138 | G | 98.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 155 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113 | A124 R125 G126 | A124-G138 CarbonylContact C-O 3.58Å; A124-G138 VanDerWaalsContact CA-O 3.25Å; A124-G138 WeakPolarHBondContact CA-O 3.41Å; R125-G138 PolarHBondContact N-O 3.46Å; R125-G138 CarbonylContact O-C 3.2Å; R125-G138 WeakPolarHBondContact O-CA 3Å; R125-G138 PolarHBondContact O-N 3.07Å; R125-G138 VanDerWaalsContact O-N 3.1Å; G126-G138 PolarHBondContact O-N 2.9Å; G126-G138 VanDerWaalsContact O-N 3.12Å |
| 139 | I | 97.3 | Very high | 96.2 | Very high | 25 Ų | 25 | 24.8 Ų | 24.8 | 13% | 0.128 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 162 | 174.7 | 62 | 165.1 | 0 | 0 | 0 | 112.2 | L111 F123 A124 S141 G142 S143 L145 I169 | L111-I139 HydrophobicContact CD2-CG2 3.66Å; F123-I139 CarbonylContact O-C 3.53Å; F123-I139 WeakPolarHBondContact O-CA 3.48Å; A124-I139 HydrophobicContact CB-CG2 4.31Å; I139-S141 WeakPolarHBondContact CD1-OG 3.14Å; I139-S141 VanDerWaalsContact CG1-OG 3.3Å; I139-S141 WeakPolarHBondContact CG1-OG 3.4Å; I139-S141 PolarHBondContact O-N 2.85Å; I139-G142 PolarHBondContact O-N 3.24Å; I139-S143 WeakPolarHBondContact CG1-O 3.49Å; I139-S143 PolarHBondContact N-O 3.24Å; I139-L145 HydrophobicContact CG2-CD1 4.04Å; I139-L145 HydrophobicContact CG2-CG 4.17Å; I139-I169 PolarHBondContact O-N 3.1Å |
| 140 | S | 95.6 | Very high | 96.1 | Very high | 20 Ų | 20 | 25.1 Ų | 25.1 | 14% | 0.14 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -16.1 | -175.6 | 62.6 | 0 | 0 | 0 | 0 | 114.4 | A121 V122 F123 G142 S168 | A121-S140 WeakPolarHBondContact O-CB 3.29Å; A121-S140 PolarHBondContact O-OG 3.25Å; V122-S140 WeakPolarHBondContact CA-OG 3.46Å; F123-S140 VanDerWaalsContact CE1-CB 3.43Å; F123-S140 PolarHBondContact N-OG 2.83Å; F123-S140 VanDerWaalsContact N-OG 3.12Å; F123-S140 PolarHBondContact O-N 2.66Å; S140-G142 VanDerWaalsContact C-N 3.26Å; S140-G142 PolarHBondContact O-N 2.89Å; S140-S168 WeakPolarHBondContact CA-OG 3.46Å; S140-S168 VanDerWaalsContact O-CA 3.28Å; S140-S168 WeakPolarHBondContact O-CA 3.18Å; S140-S168 WeakPolarHBondContact O-CB 3.14Å; S140-S168 PolarHBondContact O-OG 2.92Å |
| 141 | S | 94.2 | Very high | 95.9 | Very high | 66 Ų | 66 | 30.9 Ų | 30.9 | 46% | 0.462 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -9.2 | 171.5 | 63.5 | 0 | 0 | 0 | 0 | 114 | I139 S143 | I139-S141 WeakPolarHBondContact CD1-OG 3.14Å; I139-S141 VanDerWaalsContact CG1-OG 3.3Å; I139-S141 WeakPolarHBondContact CG1-OG 3.4Å; I139-S141 PolarHBondContact O-N 2.85Å; S141-S143 PolarHBondContact OG-N 3.06Å; S141-S143 PolarHBondContact OG-OG 3.12Å |
| 142 | G | 96 | Very high | 95.7 | Very high | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.01 | 17% | 0.173 | C | C | . | . | S | Bend | trans | 92.9 | -7.9 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | I139 S140 H165 E167 | I139-G142 PolarHBondContact O-N 3.24Å; S140-G142 VanDerWaalsContact C-N 3.26Å; S140-G142 PolarHBondContact O-N 2.89Å; G142-H165 WeakPolarHBondContact O-CB 3.23Å; G142-E167 WeakPolarHBondContact CA-O 3.35Å |
| 143 | S | 97.1 | Very high | 95.5 | Very high | 12 Ų | 12 | 30.8 Ų | 30.8 | 8% | 0.084 | 17% | 0.171 | C | C | . | . | trans | -73.2 | 160.8 | 173.3 | -34.1 | 0 | 0 | 0 | 0 | 111.1 | I139 S141 L162 E163 | I139-S143 WeakPolarHBondContact CG1-O 3.49Å; I139-S143 PolarHBondContact N-O 3.24Å; S141-S143 PolarHBondContact OG-N 3.06Å; S141-S143 PolarHBondContact OG-OG 3.12Å; S143-L162 CarbonylContact C-O 3.57Å; S143-L162 WeakPolarHBondContact CA-O 3.28Å; S143-E163 PolarHBondContact OG-OE1 2.93Å | ||
| 144 | M | 97.9 | Very high | 95.3 | Very high | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 130.3 | 170.3 | -67.3 | 161.3 | 46.3 | 0 | 0 | 109.8 | V137 V161 L162 I169 L172 M186 S188 W198 | V137-M144 CarbonylContact O-C 3.58Å; V137-M144 WeakPolarHBondContact O-CA 3.44Å; M144-V161 CarbonylContact O-C 3.55Å; M144-V161 WeakPolarHBondContact O-CA 3.31Å; M144-L162 HydrophobicContact CB-CB 4.19Å; M144-L162 HydrophobicContact CB-CD1 4.44Å; M144-L162 HydrophobicContact CE-CD1 3.97Å; M144-L162 PolarHBondContact N-O 3.21Å; M144-L162 PolarHBondContact O-N 3.11Å; M144-I169 HydrophobicContact CG-CD1 4.19Å; M144-I169 HydrophobicContact CG-CG1 4.14Å; M144-I169 HydrophobicContact SD-CD1 4.43Å; M144-L172 HydrophobicContact CE-CD2 3.43Å; M144-L172 VanDerWaalsContact CE-CD2 3.43Å; M144-L172 HydrophobicContact CE-CG 4.33Å; M144-L172 HydrophobicContact CG-CD2 4.41Å; M144-L172 HydrophobicContact SD-CD2 4.24Å; M144-M186 HydrophobicContact CE-CE 3.27Å; M144-M186 HydrophobicContact CE-SD 3.88Å; M144-S188 WeakPolarHBondContact SD-CB 3Å; M144-S188 PolarHBondContact SD-OG 2.89Å; M144-S188 VanDerWaalsContact SD-OG 3.36Å; M144-W198 HydrophobicContact CE-CZ2 4.4Å; M144-W198 HydrophobicContact SD-CZ2 4.05Å |
| 145 | L | 98.6 | Very high | 95.1 | Very high | 11 Ų | 11 | 36.2 Ų | 36.2 | 6% | 0.058 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 125.9 | 178 | -56.4 | -177.5 | 0 | 0 | 0 | 109.4 | I95 L111 C136 V137 I139 F147 L158 V161 | I95-L145 HydrophobicContact CD1-CD1 3.84Å; L111-L145 HydrophobicContact CD2-CD1 4.34Å; C136-L145 CarbonylContact C-O 3.6Å; C136-L145 WeakPolarHBondContact CA-O 3.4Å; V137-L145 PolarHBondContact N-O 3.27Å; V137-L145 PolarHBondContact O-N 3.2Å; I139-L145 HydrophobicContact CG2-CD1 4.04Å; I139-L145 HydrophobicContact CG2-CG 4.17Å; L145-F147 HydrophobicContact CB-CD2 4.48Å; L145-F147 HydrophobicContact CB-CE2 3.62Å; L145-F147 HydrophobicContact CB-CZ 3.79Å; L145-F147 HydrophobicContact CD1-CE2 4.45Å; L145-F147 HydrophobicContact CD1-CZ 4.01Å; L145-L158 HydrophobicContact CB-CD1 3.79Å; L145-L158 HydrophobicContact CD2-CD1 4.11Å; L145-L158 HydrophobicContact CG-CD1 4.43Å; L145-V161 HydrophobicContact CD2-CB 4.45Å; L145-V161 HydrophobicContact CD2-CG1 4.05Å; L145-V161 HydrophobicContact CD2-CG2 3.77Å |
| 146 | V | 98.6 | Very high | 95 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 118.1 | 178.4 | -177.7 | 0 | 0 | 0 | 0 | 109 | Y134 S159 E160 L162 F204 | Y134-V146 HydrophobicContact CD1-CG1 3.73Å; Y134-V146 HydrophobicContact CE1-CG1 4.36Å; Y134-V146 HydrophobicContact CG-CG1 4.18Å; V146-S159 PolarHBondContact O-N 2.87Å; V146-E160 HydrophobicContact CB-CB 3.99Å; V146-E160 HydrophobicContact CG2-CB 4.18Å; V146-E160 PolarHBondContact N-O 3.21Å; V146-E160 PolarHBondContact O-N 2.86Å; V146-L162 HydrophobicContact CG2-CD1 3.91Å; V146-L162 HydrophobicContact CG2-CG 4.06Å; V146-F204 HydrophobicContact CG1-CD2 4.07Å; V146-F204 HydrophobicContact CG1-CE2 3.48Å; V146-F204 VanDerWaalsContact CG1-CE2 3.48Å; V146-F204 HydrophobicContact CG1-CZ 3.97Å; V146-F204 HydrophobicContact CG2-CD2 4.24Å; V146-F204 HydrophobicContact CG2-CE2 4.25Å; V146-F204 HydrophobicContact CG2-CZ 4.5Å |
| 147 | F | 98.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 127.9 | 179.2 | -60.3 | -82.8 | 0 | 0 | 0 | 110.9 | I95 M97 Y107 H109 Y134 I135 V137 L145 I156 T157 L158 | I95-F147 HydrophobicContact CD1-CE2 3.77Å; I95-F147 HydrophobicContact CD1-CZ 3.83Å; M97-F147 HydrophobicContact CE-CB 3.93Å; M97-F147 HydrophobicContact CE-CD1 4.21Å; M97-F147 HydrophobicContact CE-CD2 3.49Å; M97-F147 VanDerWaalsContact CE-CD2 3.49Å; M97-F147 HydrophobicContact CE-CE2 4.03Å; M97-F147 HydrophobicContact CE-CG 3.6Å; Y107-F147 AromaticContact CE1-CD1 3.68Å; Y107-F147 HydrophobicContact CE1-CD1 3.68Å; Y107-F147 AromaticContact CE1-CE1 3.52Å; Y107-F147 HydrophobicContact CE1-CE1 3.52Å; Y107-F147 HydrophobicContact CE1-CZ 4.35Å; Y107-F147 AromaticContact CZ-CE1 3.94Å; H109-F147 HydrophobicContact CB-CE1 4.23Å; H109-F147 HydrophobicContact CB-CZ 4.17Å; H109-F147 AromaticContact CG-CZ 3.99Å; H109-F147 AromaticContact ND1-CE1 3.82Å; Y134-F147 WeakPolarHBondContact CA-O 3.28Å; I135-F147 PolarHBondContact N-O 2.54Å; I135-F147 WeakPolarHBondContact O-CD2 3.21Å; I135-F147 PolarHBondContact O-N 2.81Å; V137-F147 HydrophobicContact CB-CE2 4.31Å; V137-F147 HydrophobicContact CG2-CD2 4.45Å; V137-F147 HydrophobicContact CG2-CE2 4.21Å; L145-F147 HydrophobicContact CB-CD2 4.48Å; L145-F147 HydrophobicContact CB-CE2 3.62Å; L145-F147 HydrophobicContact CB-CZ 3.79Å; L145-F147 HydrophobicContact CD1-CE2 4.45Å; L145-F147 HydrophobicContact CD1-CZ 4.01Å; F147-I156 HydrophobicContact CB-CG2 3.91Å; F147-I156 HydrophobicContact CD1-CG2 4.29Å; F147-I156 HydrophobicContact CG-CG2 4.44Å; F147-T157 CarbonylContact C-O 3.55Å; F147-T157 VanDerWaalsContact CA-O 3.32Å; F147-T157 WeakPolarHBondContact CA-O 3.49Å; F147-L158 HydrophobicContact CD1-CB 4.26Å; F147-L158 HydrophobicContact CD1-CD1 4.21Å; F147-L158 HydrophobicContact CE1-CB 4.13Å; F147-L158 HydrophobicContact CE1-CD1 3.85Å; F147-L158 HydrophobicContact CZ-CD1 4.11Å |
| 148 | D | 96.6 | Very high | 94.9 | Very high | 37 Ų | 37 | 42.7 Ų | 42.7 | 20% | 0.198 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 121.4 | 167.7 | -168.7 | -35.2 | 0 | 0 | 0 | 108.9 | K133 Y134 I156 T157 | K133-D148 WeakPolarHBondContact CE-OD2 3.17Å; K133-D148 IonicContact NZ-OD2 2.72Å; K133-D148 PolarHBondContact NZ-OD2 3.28Å; Y134-D148 HydrophobicContact CD1-CB 4.46Å; Y134-D148 HydrophobicContact CE1-CB 4.21Å; D148-I156 WeakPolarHBondContact O-CA 3.39Å; D148-T157 PolarHBondContact N-O 2.92Å; D148-T157 PolarHBondContact O-N 2.96Å |
| 149 | V | 96.6 | Very high | 94.8 | Very high | 2 Ų | 2 | 45.6 Ų | 45.6 | 1% | 0.012 | 27% | 0.267 | C | S | . | . | trans | -106.4 | 115 | -177.7 | -174.7 | 0 | 0 | 0 | 0 | 109.5 | L81 I86 K133 I135 I156 | L81-V149 HydrophobicContact CD1-CB 3.75Å; L81-V149 HydrophobicContact CD1-CG1 3.77Å; L81-V149 HydrophobicContact CD1-CG2 4.11Å; I86-V149 HydrophobicContact CG1-CG1 4.43Å; K133-V149 WeakPolarHBondContact O-CA 3.42Å; K133-V149 WeakPolarHBondContact O-CB 3.35Å; K133-V149 WeakPolarHBondContact O-CG2 3.15Å; K133-V149 PolarHBondContact O-N 2.77Å; I135-V149 HydrophobicContact CB-CG2 4.2Å; I135-V149 HydrophobicContact CD1-CG2 3.73Å; I135-V149 HydrophobicContact CG1-CG2 3.76Å; V149-I156 HydrophobicContact CG1-CD1 4.48Å; V149-I156 HydrophobicContact CG1-CG1 4.28Å; V149-I156 HydrophobicContact CG2-CG1 4.48Å | ||
| 150 | P | 94.2 | Very high | 94.8 | Very high | 31 Ų | 31 | 46.6 Ų | 46.6 | 20% | 0.201 | 27% | 0.271 | C | S | . | . | trans | -69.8 | 152.4 | 178.4 | 31 | -36.4 | 0 | 0 | 0 | 110.8 | R84 K152 N155 | R84-P150 PolarHBondContact NE-O 3.25Å; P150-K152 PolarHBondContact O-N 2.84Å; P150-K152 VanDerWaalsContact O-N 3.1Å; P150-N155 WeakPolarHBondContact CD-O 3.42Å; P150-N155 HydrophobicContact CG-CB 4.49Å | ||
| 151 | I | 90.6 | Very high | 94.9 | Very high | 122 Ų | 122 | 48.7 Ų | 48.7 | 63% | 0.626 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -52.1 | -36.9 | 176.2 | -59 | 175 | 0 | 0 | 0 | 111.2 | ||
| 152 | K | 85.9 | Confident | 95.1 | Very high | 180 Ų | 180 | 46 Ų | 46 | 78% | 0.783 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -144.2 | 156.8 | 177.5 | -64 | -174.9 | -178.3 | 178.2 | 0 | 111.3 | P150 | P150-K152 PolarHBondContact O-N 2.84Å; P150-K152 VanDerWaalsContact O-N 3.1Å |
| 153 | G | 83.4 | Confident | 95.1 | Very high | 47 Ų | 47 | 52.9 Ų | 52.9 | 49% | 0.485 | 30% | 0.295 | S | S | . | . | S | Bend | trans | 86.9 | -174.2 | 176 | 0 | 0 | 0 | 0 | 0 | 113.8 | R84 | R84-G153 PolarHBondContact NH1-O 3.32Š|
| 154 | S | 88.8 | Confident | 95.1 | Very high | 79 Ų | 79 | 55.9 Ų | 55.9 | 55% | 0.552 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -105.5 | 9.5 | -173.7 | 55.1 | 0 | 0 | 0 | 0 | 113.8 | V106 I156 | V106-S154 WeakPolarHBondContact O-CB 3.47Å; S154-I156 PolarHBondContact O-N 3.39Å |
| 155 | N | 93.3 | Very high | 95.1 | Very high | 126 Ų | 126 | 56.3 Ų | 56.3 | 67% | 0.674 | 31% | 0.31 | S | S | * | . | trans | -81 | 54.6 | -177.4 | -165.4 | 38.2 | 0 | 0 | 0 | 112.1 | P150 | P150-N155 WeakPolarHBondContact CD-O 3.42Å; P150-N155 HydrophobicContact CG-CB 4.49Å | ||
| 156 | I | 96.5 | Very high | 94.9 | Very high | 6 Ų | 6 | 64.5 Ų | 64.5 | 3% | 0.031 | 35% | 0.346 | C | S | . | . | trans | -74.9 | 134.4 | 171.3 | -65.1 | 165.9 | 0 | 0 | 0 | 107.9 | R84 M97 V106 Y107 F147 D148 V149 S154 | R84-I156 VanDerWaalsContact NH2-CD1 3.34Å; M97-I156 HydrophobicContact CB-CD1 4.29Å; M97-I156 HydrophobicContact CE-CG2 4.49Å; M97-I156 HydrophobicContact SD-CD1 3.67Å; M97-I156 HydrophobicContact SD-CG2 4.01Å; V106-I156 HydrophobicContact CG2-CD1 3.94Å; Y107-I156 HydrophobicContact CD1-CB 4.38Å; Y107-I156 HydrophobicContact CD1-CG2 3.97Å; Y107-I156 HydrophobicContact CD2-CB 3.7Å; Y107-I156 HydrophobicContact CD2-CG2 4.04Å; Y107-I156 WeakPolarHBondContact CD2-O 3.47Å; Y107-I156 HydrophobicContact CE1-CG2 4.17Å; Y107-I156 HydrophobicContact CE2-CB 4.23Å; Y107-I156 HydrophobicContact CE2-CG2 4.27Å; Y107-I156 WeakPolarHBondContact CE2-O 3.09Å; Y107-I156 HydrophobicContact CG-CB 3.79Å; Y107-I156 HydrophobicContact CG-CD1 4.29Å; Y107-I156 HydrophobicContact CG-CG2 3.89Å; F147-I156 HydrophobicContact CB-CG2 3.91Å; F147-I156 HydrophobicContact CD1-CG2 4.29Å; F147-I156 HydrophobicContact CG-CG2 4.44Å; D148-I156 WeakPolarHBondContact O-CA 3.39Å; V149-I156 HydrophobicContact CG1-CD1 4.48Å; V149-I156 HydrophobicContact CG1-CG1 4.28Å; V149-I156 HydrophobicContact CG2-CG1 4.48Å; S154-I156 PolarHBondContact O-N 3.39Å | ||
| 157 | T | 97.1 | Very high | 94.8 | Very high | 63 Ų | 63 | 69.3 Ų | 69.3 | 39% | 0.387 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 141.9 | -177.6 | 54.3 | 0 | 0 | 0 | 0 | 110.9 | F147 D148 S159 | F147-T157 CarbonylContact C-O 3.55Å; F147-T157 VanDerWaalsContact CA-O 3.32Å; F147-T157 WeakPolarHBondContact CA-O 3.49Å; D148-T157 PolarHBondContact N-O 2.92Å; D148-T157 PolarHBondContact O-N 2.96Å; T157-S159 PolarHBondContact O-N 2.58Å |
| 158 | L | 97.4 | Very high | 94.7 | Very high | 67 Ų | 67 | 70.7 Ų | 70.7 | 35% | 0.351 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 115.5 | 166.9 | -179.1 | 69 | 0 | 0 | 0 | 108.2 | L145 F147 V161 | L145-L158 HydrophobicContact CB-CD1 3.79Å; L145-L158 HydrophobicContact CD2-CD1 4.11Å; L145-L158 HydrophobicContact CG-CD1 4.43Å; F147-L158 HydrophobicContact CD1-CB 4.26Å; F147-L158 HydrophobicContact CD1-CD1 4.21Å; F147-L158 HydrophobicContact CE1-CB 4.13Å; F147-L158 HydrophobicContact CE1-CD1 3.85Å; F147-L158 HydrophobicContact CZ-CD1 4.11Å; L158-V161 HydrophobicContact CD1-CG2 4.4Å; L158-V161 HydrophobicContact CD2-CG2 3.98Å; L158-V161 HydrophobicContact CG-CG2 4.46Å |
| 159 | S | 96.8 | Very high | 94.8 | Very high | 61 Ų | 61 | 69 Ų | 69 | 43% | 0.427 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | -44.3 | -176.9 | -170.2 | 0 | 0 | 0 | 0 | 111.8 | V146 T157 | V146-S159 PolarHBondContact O-N 2.87Å; T157-S159 PolarHBondContact O-N 2.58Å |
| 160 | E | 97.3 | Very high | 94.9 | Very high | 46 Ų | 46 | 69.2 Ų | 69.2 | 22% | 0.215 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 154.3 | -172.2 | -164.3 | 176.6 | 174.8 | 0 | 0 | 110.5 | V146 L162 F204 | V146-E160 HydrophobicContact CB-CB 3.99Å; V146-E160 HydrophobicContact CG2-CB 4.18Å; V146-E160 PolarHBondContact N-O 3.21Å; V146-E160 PolarHBondContact O-N 2.86Å; E160-L162 HydrophobicContact CG-CD2 3.78Å; E160-L162 WeakPolarHBondContact OE1-CD2 3.22Å; E160-F204 PolarHBondContact OE2-N 3.24Å |
| 161 | V | 97.8 | Very high | 95.1 | Very high | 65 Ų | 65 | 67.8 Ų | 67.8 | 39% | 0.394 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 119.1 | 170.2 | -178 | 0 | 0 | 0 | 0 | 108 | M144 L145 L158 E163 | M144-V161 CarbonylContact O-C 3.55Å; M144-V161 WeakPolarHBondContact O-CA 3.31Å; L145-V161 HydrophobicContact CD2-CB 4.45Å; L145-V161 HydrophobicContact CD2-CG1 4.05Å; L145-V161 HydrophobicContact CD2-CG2 3.77Å; L158-V161 HydrophobicContact CD1-CG2 4.4Å; L158-V161 HydrophobicContact CD2-CG2 3.98Å; L158-V161 HydrophobicContact CG-CG2 4.46Å; V161-E163 HydrophobicContact CG1-CG 4.01Å |
| 162 | L | 98.2 | Very high | 95.5 | Very high | 9 Ų | 9 | 62.1 Ų | 62.1 | 5% | 0.047 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 127.1 | -178.5 | -47.1 | 173.8 | 0 | 0 | 0 | 109.5 | S143 M144 V146 E160 M186 W198 F204 | S143-L162 CarbonylContact C-O 3.57Å; S143-L162 WeakPolarHBondContact CA-O 3.28Å; M144-L162 HydrophobicContact CB-CB 4.19Å; M144-L162 HydrophobicContact CB-CD1 4.44Å; M144-L162 HydrophobicContact CE-CD1 3.97Å; M144-L162 PolarHBondContact N-O 3.21Å; M144-L162 PolarHBondContact O-N 3.11Å; V146-L162 HydrophobicContact CG2-CD1 3.91Å; V146-L162 HydrophobicContact CG2-CG 4.06Å; E160-L162 HydrophobicContact CG-CD2 3.78Å; E160-L162 WeakPolarHBondContact OE1-CD2 3.22Å; L162-M186 HydrophobicContact CD1-CE 4.29Å; L162-W198 HydrophobicContact CB-CH2 3.79Å; L162-W198 HydrophobicContact CB-CZ2 4.49Å; L162-W198 HydrophobicContact CB-CZ3 4.15Å; L162-W198 HydrophobicContact CD1-CD2 4.41Å; L162-W198 HydrophobicContact CD1-CE3 4.09Å; L162-W198 HydrophobicContact CD1-CH2 4.06Å; L162-W198 HydrophobicContact CD1-CZ2 4.44Å; L162-W198 HydrophobicContact CD1-CZ3 3.9Å; L162-W198 HydrophobicContact CD2-CZ3 4.29Å; L162-W198 HydrophobicContact CG-CH2 4.4Å; L162-W198 HydrophobicContact CG-CZ3 4.34Å; L162-F204 HydrophobicContact CD1-CB 3.88Å; L162-F204 HydrophobicContact CD1-CD1 4.07Å; L162-F204 HydrophobicContact CD1-CG 4.11Å; L162-F204 HydrophobicContact CD2-CB 3.79Å; L162-F204 HydrophobicContact CG-CB 4.48Å |
| 163 | E | 96.9 | Very high | 96 | Very high | 145 Ų | 145 | 53.9 Ų | 53.9 | 68% | 0.678 | 30% | 0.297 | S | S | * | . | trans | -124.3 | 54.1 | -170.4 | -58.8 | -165 | 120.9 | 0 | 0 | 112.2 | S143 V161 | S143-E163 PolarHBondContact OG-OE1 2.93Å; V161-E163 HydrophobicContact CG1-CG 4.01Å | ||
| 164 | E | 97.5 | Very high | 96.7 | Very high | 75 Ų | 75 | 53 Ų | 53 | 35% | 0.35 | 28% | 0.283 | S | S | . | . | trans | -100.3 | -27 | -175.3 | -67.1 | -62.4 | 160.4 | 0 | 0 | 114.7 | W198 L206 K209 | E164-W198 HydrophobicContact CB-CH2 3.66Å; E164-W198 HydrophobicContact CB-CZ2 4.03Å; E164-W198 HydrophobicContact CG-CH2 3.31Å; E164-W198 HydrophobicContact CG-CZ2 4.16Å; E164-W198 HydrophobicContact CG-CZ3 3.97Å; E164-L206 HydrophobicContact CG-CD1 4.48Å; E164-L206 HydrophobicContact CG-CD2 4.04Å; E164-K209 PolarHBondContact O-NZ 2.95Å; E164-K209 WeakPolarHBondContact OE2-CE 3.38Å; E164-K209 IonicContact OE2-NZ 2.62Å; E164-K209 PolarHBondContact OE2-NZ 2.59Å | ||
| 165 | H | 97.1 | Very high | 97 | Very high | 11 Ų | 11 | 50.4 Ų | 50.4 | 5% | 0.051 | 26% | 0.263 | C | S | . | . | trans | -87 | 149.6 | 173.6 | -67.2 | -90.2 | 0 | 0 | 0 | 110.8 | G142 I169 S188 D190 N194 C196 | G142-H165 WeakPolarHBondContact O-CB 3.23Å; H165-I169 HydrophobicContact CB-CD1 3.73Å; H165-I169 WeakPolarHBondContact CD2-CD1 3.32Å; H165-S188 PolarHBondContact NE2-OG 2.82Å; H165-D190 HydrophobicContact CB-CB 4.27Å; H165-D190 IonicContact CE1-OD2 2.76Å; H165-D190 IonicContact CG-OD2 3.26Å; H165-D190 WeakPolarHBondContact ND1-CB 3.23Å; H165-D190 IonicContact ND1-OD2 3.36Å; H165-D190 PolarHBondContact ND1-OD2 3.41Å; H165-N194 PolarHBondContact CE1-O 2.77Å; H165-N194 VanDerWaalsContact CE1-O 3.25Å; H165-C196 VanDerWaalsContact CE1-SG 3.59Å; H165-C196 WeakPolarHBondContact NE2-CB 3.3Å; H165-C196 PolarHBondContact NE2-SG 3.13Å; H165-C196 VanDerWaalsContact NE2-SG 3.38Å | ||
| 166 | K | 94.7 | Very high | 97 | Very high | 183 Ų | 183 | 46.6 Ų | 46.6 | 80% | 0.796 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -107.5 | -11.9 | 179.1 | -63.2 | -178.1 | -179.7 | 177.6 | 0 | 113.3 | ||
| 167 | E | 95.8 | Very high | 96.6 | Very high | 100 Ų | 100 | 47.2 Ų | 47.2 | 47% | 0.467 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -119.4 | 164.1 | 179.8 | -66.1 | -58.3 | 149.6 | 0 | 0 | 109.7 | G142 I169 D190 | G142-E167 WeakPolarHBondContact CA-O 3.35Å; E167-I169 PolarHBondContact O-N 3.38Å; E167-D190 HydrophobicContact CB-CB 4.16Å |
| 168 | S | 96.4 | Very high | 95.8 | Very high | 29 Ų | 29 | 47.4 Ų | 47.4 | 20% | 0.203 | 26% | 0.264 | C | S | . | . | trans | -54.1 | 132.8 | -178.8 | -63.4 | 0 | 0 | 0 | 0 | 112.4 | S140 T170 D190 D191 | S140-S168 WeakPolarHBondContact CA-OG 3.46Å; S140-S168 VanDerWaalsContact O-CA 3.28Å; S140-S168 WeakPolarHBondContact O-CA 3.18Å; S140-S168 WeakPolarHBondContact O-CB 3.14Å; S140-S168 PolarHBondContact O-OG 2.92Å; S168-T170 PolarHBondContact O-N 3.16Å; S168-D190 CarbonylContact O-C 3.55Å; S168-D190 VanDerWaalsContact O-CA 3.28Å; S168-D190 WeakPolarHBondContact O-CA 3.49Å; S168-D190 WeakPolarHBondContact O-CB 3.45Å; S168-D191 PolarHBondContact O-N 2.86Å | ||
| 169 | I | 98.3 | Very high | 94.8 | Very high | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 131 | 173.9 | -58.4 | -60.9 | 0 | 0 | 0 | 110.4 | I139 M144 H165 E167 L172 A189 | I139-I169 PolarHBondContact O-N 3.1Å; M144-I169 HydrophobicContact CG-CD1 4.19Å; M144-I169 HydrophobicContact CG-CG1 4.14Å; M144-I169 HydrophobicContact SD-CD1 4.43Å; H165-I169 HydrophobicContact CB-CD1 3.73Å; H165-I169 WeakPolarHBondContact CD2-CD1 3.32Å; E167-I169 PolarHBondContact O-N 3.38Å; I169-L172 HydrophobicContact CG2-CD1 3.43Å; I169-L172 VanDerWaalsContact CG2-CD1 3.43Å; I169-L172 HydrophobicContact CG2-CG 4.5Å; I169-A189 WeakPolarHBondContact CA-O 3.48Å; I169-A189 WeakPolarHBondContact CG2-O 3.32Å |
| 170 | T | 98.1 | Very high | 93.4 | Very high | 7 Ų | 7 | 51.7 Ų | 51.7 | 4% | 0.043 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | -40.1 | -177 | 50.8 | 0 | 0 | 0 | 0 | 112.7 | R125 S168 A189 D191 C217 | R125-T170 WeakPolarHBondContact CD-O 3.31Å; R125-T170 WeakPolarHBondContact CG-O 3.22Å; S168-T170 PolarHBondContact O-N 3.16Å; T170-A189 PolarHBondContact N-O 3.05Å; T170-A189 VanDerWaalsContact OG1-C 3.26Å; T170-A189 PolarHBondContact OG1-O 3.34Å; T170-A189 VanDerWaalsContact OG1-O 3.07Å; T170-D191 HydrophobicContact CG2-CB 4Å; T170-C217 WeakPolarHBondContact CB-O 3.23Å; T170-C217 PolarHBondContact OG1-O 3.37Å |
| 171 | D | 98.6 | Very high | 92.5 | Very high | 2 Ų | 2 | 58 Ų | 58 | 1% | 0.011 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 155.8 | 179 | -160.7 | 19 | 0 | 0 | 0 | 111.4 | N19 A189 S219 V220 K221 | N19-D171 PolarHBondContact ND2-OD2 2.94Å; N19-D171 VanDerWaalsContact ND2-OD2 3.14Å; D171-A189 PolarHBondContact O-N 3.31Å; D171-S219 VanDerWaalsContact OD2-CA 3.26Å; D171-S219 WeakPolarHBondContact OD2-CA 3.47Å; D171-S219 PolarHBondContact OD2-OG 2.99Å; D171-V220 HydrophobicContact CB-CG1 4.16Å; D171-V220 PolarHBondContact OD2-N 2.9Å; D171-K221 IonicContact OD2-NZ 3.75Å; D171-K221 PolarHBondContact OD2-NZ 2.78Å |
| 172 | L | 98.7 | Very high | 91.8 | Very high | 3 Ų | 3 | 56.2 Ų | 56.2 | 2% | 0.016 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 149.9 | 168.4 | -74.1 | 86.3 | 0 | 0 | 0 | 108.9 | G126 A128 C136 M144 I169 M186 V187 | G126-L172 VanDerWaalsContact C-CD1 3.44Å; G126-L172 VanDerWaalsContact CA-CD1 3.46Å; A128-L172 HydrophobicContact CB-CB 3.74Å; A128-L172 HydrophobicContact CB-CD2 4.45Å; C136-L172 HydrophobicContact CB-CD2 3.76Å; M144-L172 HydrophobicContact CE-CD2 3.43Å; M144-L172 VanDerWaalsContact CE-CD2 3.43Å; M144-L172 HydrophobicContact CE-CG 4.33Å; M144-L172 HydrophobicContact CG-CD2 4.41Å; M144-L172 HydrophobicContact SD-CD2 4.24Å; I169-L172 HydrophobicContact CG2-CD1 3.43Å; I169-L172 VanDerWaalsContact CG2-CD1 3.43Å; I169-L172 HydrophobicContact CG2-CG 4.5Å; L172-M186 HydrophobicContact CD2-SD 3.98Å; L172-V187 WeakPolarHBondContact CA-O 3.47Å |
| 173 | A | 98.3 | Very high | 91.4 | Very high | 7 Ų | 7 | 61.5 Ų | 61.5 | 6% | 0.058 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 145.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | M186 V187 V220 K221 | A173-M186 CarbonylContact O-C 3.56Å; A173-M186 VanDerWaalsContact O-CA 3.32Å; A173-M186 WeakPolarHBondContact O-CA 3.47Å; A173-V187 HydrophobicContact CB-CG1 4.13Å; A173-V187 PolarHBondContact N-O 2.99Å; A173-V187 PolarHBondContact O-N 2.52Å; A173-V220 HydrophobicContact CB-CG1 4.34Å; A173-V220 VanDerWaalsContact CB-O 3.23Å; A173-V220 WeakPolarHBondContact CB-O 3.45Å; A173-K221 HydrophobicContact CB-CD 4.22Å |
| 174 | S | 97.1 | Very high | 91.3 | Very high | 28 Ų | 28 | 54.6 Ų | 54.6 | 20% | 0.196 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 159.8 | 170.2 | -51.2 | 0 | 0 | 0 | 0 | 111 | A129 V130 C176 D185 | A129-S174 VanDerWaalsContact O-CB 3.29Å; A129-S174 WeakPolarHBondContact O-CB 3.45Å; A129-S174 PolarHBondContact O-OG 2.97Å; V130-S174 WeakPolarHBondContact CG2-OG 3.23Å; S174-C176 PolarHBondContact O-N 3.1Å; S174-D185 CarbonylContact C-O 3.54Å; S174-D185 WeakPolarHBondContact CA-O 3.08Å |
| 175 | E | 96 | Very high | 91.2 | Very high | 25 Ų | 25 | 51.6 Ų | 51.6 | 12% | 0.117 | 29% | 0.288 | C | S | . | . | B | Isolated β-bridge | trans | -58 | 119.8 | 168.3 | 174.5 | 53.6 | -116.3 | 0 | 0 | 109.9 | S177 C182 D185 L222 W223 K224 G225 | E175-S177 WeakPolarHBondContact OE1-CB 3.39Å; E175-S177 PolarHBondContact OE1-N 3.22Å; E175-S177 PolarHBondContact OE1-OG 2.79Å; E175-C182 HydrophobicContact CG-CB 4.15Å; E175-D185 HydrophobicContact CB-CB 4.47Å; E175-D185 PolarHBondContact N-O 2.97Å; E175-L222 WeakPolarHBondContact CA-O 3.42Å; E175-L222 HydrophobicContact CB-CD2 3.93Å; E175-L222 HydrophobicContact CB-CG 4.08Å; E175-W223 WeakPolarHBondContact OE1-CA 3.31Å; E175-K224 PolarHBondContact OE1-N 2.9Å; E175-K224 PolarHBondContact OE2-N 3.49Å; E175-G225 PolarHBondContact OE2-N 2.87Å |
| 176 | C | 93.3 | Very high | 91.2 | Very high | 45 Ų | 45 | 51.1 Ų | 51.1 | 30% | 0.304 | 29% | 0.285 | S | S | . | . | trans | -104.5 | -8.4 | -170.4 | 64.1 | 0 | 0 | 0 | 0 | 114.5 | S174 G178 L222 P264 | S174-C176 PolarHBondContact O-N 3.1Å; C176-G178 PolarHBondContact O-N 3.49Å; C176-G178 VanDerWaalsContact O-N 3.1Å; C176-L222 PolarHBondContact N-O 2.97Å; C176-L222 VanDerWaalsContact N-O 3.11Å; C176-L222 PolarHBondContact SG-O 2.94Å; C176-P264 HydrophobicContact CB-CB 4.48Å; C176-P264 WeakPolarHBondContact O-CB 3.41Å | ||
| 177 | S | 88 | Confident | 91.4 | Very high | 20 Ų | 20 | 42.4 Ų | 42.4 | 14% | 0.14 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -66.6 | -11.2 | -176.7 | 62.5 | 0 | 0 | 0 | 0 | 115.2 | E175 S179 | E175-S177 WeakPolarHBondContact OE1-CB 3.39Å; E175-S177 PolarHBondContact OE1-N 3.22Å; E175-S177 PolarHBondContact OE1-OG 2.79Å; S177-S179 VanDerWaalsContact C-N 3.28Å |
| 178 | G | 78.6 | Confident | 91.6 | Very high | 66 Ų | 66 | 37.6 Ų | 37.6 | 68% | 0.68 | 23% | 0.225 | S | C | * | . | trans | 78.9 | 7.6 | -175 | 0 | 0 | 0 | 0 | 0 | 114.1 | C176 L180 | C176-G178 PolarHBondContact O-N 3.49Å; C176-G178 VanDerWaalsContact O-N 3.1Å; G178-L180 PolarHBondContact O-N 2.96Å | ||
| 179 | S | 76.9 | Confident | 91.7 | Very high | 61 Ų | 61 | 36.2 Ų | 36.2 | 43% | 0.427 | 22% | 0.215 | S | C | . | . | trans | -69.8 | 116.6 | 172.6 | -168.4 | 0 | 0 | 0 | 0 | 110.8 | S177 E181 | S177-S179 VanDerWaalsContact C-N 3.28Å; S179-E181 PolarHBondContact O-N 2.62Å; S179-E181 PolarHBondContact OG-O 2.84Å | ||
| 180 | L | 68.1 | Low | 91.6 | Very high | 157 Ų | 157 | 36.2 Ų | 36.2 | 82% | 0.822 | 22% | 0.215 | S | C | * | . | S | Bend | trans | -66.7 | -27.3 | 173.3 | -70.4 | 169 | 0 | 0 | 0 | 111.9 | G178 | G178-L180 PolarHBondContact O-N 2.96Š|
| 181 | E | 77.7 | Confident | 91.5 | Very high | 180 Ų | 180 | 39.6 Ų | 39.6 | 84% | 0.841 | 23% | 0.233 | S | C | * | . | trans | -108.1 | 94.7 | 177.3 | -65.6 | -175.3 | -175.6 | 0 | 0 | 108.9 | S179 | S179-E181 PolarHBondContact O-N 2.62Å; S179-E181 PolarHBondContact OG-O 2.84Å | ||
| 182 | C | 84.1 | Confident | 91.4 | Very high | 27 Ų | 27 | 40.3 Ų | 40.3 | 18% | 0.182 | 24% | 0.238 | C | C | . | . | trans | -127.5 | 144.5 | 170.7 | 50.1 | 0 | 0 | 0 | 0 | 108.8 | E175 A184 K199 | E175-C182 HydrophobicContact CG-CB 4.15Å; C182-A184 WeakPolarHBondContact CB-O 3.38Å; C182-A184 PolarHBondContact SG-O 2.89Å; C182-K199 VanDerWaalsContact O-CE 3.24Å; C182-K199 WeakPolarHBondContact O-CE 3.25Å; C182-K199 PolarHBondContact O-NZ 2.9Å | ||
| 183 | I | 89.3 | Confident | 91.3 | Very high | 119 Ų | 119 | 40.2 Ų | 40.2 | 61% | 0.61 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -72.4 | -45.3 | 178 | -60.8 | 172.2 | 0 | 0 | 0 | 109.2 | K199 L207 V242 | I183-K199 WeakPolarHBondContact O-CB 3.42Å; I183-K199 WeakPolarHBondContact O-CD 3.18Å; I183-K199 WeakPolarHBondContact O-CE 3.41Å; I183-K199 WeakPolarHBondContact O-CG 3.47Å; I183-L207 HydrophobicContact CG2-CD1 4.13Å; I183-L207 WeakPolarHBondContact O-CD1 3.06Å; I183-V242 HydrophobicContact CB-CG2 4.05Å; I183-V242 HydrophobicContact CD1-CG2 4.37Å; I183-V242 HydrophobicContact CG2-CG2 3.67Å |
| 184 | A | 94.4 | Very high | 91.2 | Very high | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.008 | 25% | 0.25 | C | C | . | . | trans | -108.6 | 139.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110 | C182 V197 W198 L207 L222 A241 | C182-A184 WeakPolarHBondContact CB-O 3.38Å; C182-A184 PolarHBondContact SG-O 2.89Å; A184-V197 HydrophobicContact CB-CG1 3.4Å; A184-W198 WeakPolarHBondContact CA-O 3.26Å; A184-L207 HydrophobicContact CB-CD1 3.79Å; A184-L222 HydrophobicContact CB-CD2 4.32Å; A184-A241 HydrophobicContact CB-CB 4.08Å | ||
| 185 | D | 96.2 | Very high | 91.3 | Very high | 12 Ų | 12 | 41.3 Ų | 41.3 | 6% | 0.064 | 24% | 0.24 | C | C | . | . | trans | -127.4 | -3 | 178.2 | 50.9 | 36.6 | 0 | 0 | 0 | 114.6 | R131 S174 E175 W198 K199 S200 | R131-D185 IonicContact NE-OD2 3.41Å; S174-D185 CarbonylContact C-O 3.54Å; S174-D185 WeakPolarHBondContact CA-O 3.08Å; E175-D185 HydrophobicContact CB-CB 4.47Å; E175-D185 PolarHBondContact N-O 2.97Å; D185-W198 PolarHBondContact N-O 3.28Å; D185-K199 WeakPolarHBondContact OD2-CD 3.38Å; D185-K199 IonicContact OD2-NZ 2.93Å; D185-K199 PolarHBondContact OD2-NZ 3.35Å; D185-S200 WeakPolarHBondContact OD1-CB 3.42Å; D185-S200 PolarHBondContact OD1-N 3.34Å; D185-S200 PolarHBondContact OD1-OG 3.02Å; D185-S200 PolarHBondContact OD2-OG 2.86Å | ||
| 186 | M | 97.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 148.5 | 172.8 | -179.4 | -176.3 | 69.3 | 0 | 0 | 111.1 | V130 C136 M144 L162 L172 A173 W198 F204 | V130-M186 HydrophobicContact CG1-CB 4.39Å; V130-M186 HydrophobicContact CG2-CB 4.14Å; V130-M186 HydrophobicContact CG2-CG 4.1Å; V130-M186 HydrophobicContact CG2-SD 3.68Å; C136-M186 HydrophobicContact CB-SD 3.76Å; C136-M186 VanDerWaalsContact SG-SD 3.69Å; M144-M186 HydrophobicContact CE-CE 3.27Å; M144-M186 HydrophobicContact CE-SD 3.88Å; L162-M186 HydrophobicContact CD1-CE 4.29Å; L172-M186 HydrophobicContact CD2-SD 3.98Å; A173-M186 CarbonylContact O-C 3.56Å; A173-M186 VanDerWaalsContact O-CA 3.32Å; A173-M186 WeakPolarHBondContact O-CA 3.47Å; M186-W198 HydrophobicContact CB-CB 4.24Å; M186-W198 HydrophobicContact CE-CB 3.73Å; M186-W198 VanDerWaalsContact CE-CD1 3.5Å; M186-W198 HydrophobicContact CE-CD2 4.07Å; M186-W198 HydrophobicContact CE-CG 3.48Å; M186-W198 VanDerWaalsContact CE-CG 3.48Å; M186-W198 PolarHBondContact N-O 2.93Å; M186-W198 PolarHBondContact O-N 2.76Å; M186-F204 HydrophobicContact CE-CD1 3.52Å; M186-F204 HydrophobicContact CE-CE1 3.47Å; M186-F204 VanDerWaalsContact CE-CE1 3.47Å; M186-F204 HydrophobicContact SD-CE1 3.95Å |
| 187 | V | 98.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 142.8 | 169.3 | 62.3 | 0 | 0 | 0 | 0 | 109.7 | L172 A173 L195 C196 V197 V220 L222 V227 | L172-V187 WeakPolarHBondContact CA-O 3.47Å; A173-V187 HydrophobicContact CB-CG1 4.13Å; A173-V187 PolarHBondContact N-O 2.99Å; A173-V187 PolarHBondContact O-N 2.52Å; V187-L195 HydrophobicContact CG2-CB 4.36Å; V187-C196 WeakPolarHBondContact CA-O 3.32Å; V187-C196 WeakPolarHBondContact CG2-O 3.48Å; V187-V197 HydrophobicContact CG2-CG2 4.27Å; V187-V220 HydrophobicContact CB-CG2 4.39Å; V187-V220 HydrophobicContact CG1-CB 4.38Å; V187-V220 HydrophobicContact CG1-CG1 3.92Å; V187-V220 HydrophobicContact CG1-CG2 3.6Å; V187-V220 HydrophobicContact CG2-CG2 3.83Å; V187-L222 HydrophobicContact CG1-CB 3.92Å; V187-V227 HydrophobicContact CB-CG2 4.35Å; V187-V227 HydrophobicContact CG2-CG1 3.9Å; V187-V227 HydrophobicContact CG2-CG2 4.03Å |
| 188 | S | 98.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 149.1 | 173.3 | 55 | 0 | 0 | 0 | 0 | 110.4 | M144 H165 L195 C196 W198 | M144-S188 WeakPolarHBondContact SD-CB 3Å; M144-S188 PolarHBondContact SD-OG 2.89Å; M144-S188 VanDerWaalsContact SD-OG 3.36Å; H165-S188 PolarHBondContact NE2-OG 2.82Å; S188-L195 CarbonylContact O-C 3.6Å; S188-L195 VanDerWaalsContact O-CA 3.23Å; S188-L195 WeakPolarHBondContact O-CA 3.34Å; S188-C196 PolarHBondContact N-O 3.33Å; S188-C196 PolarHBondContact O-N 2.91Å; S188-C196 WeakPolarHBondContact OG-CB 3.28Å; S188-C196 PolarHBondContact OG-O 3.15Å; S188-W198 PolarHBondContact OG-NE1 2.98Å |
| 189 | A | 98.5 | Very high | 93 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 150.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | I169 T170 D171 N194 L195 C217 V220 | I169-A189 WeakPolarHBondContact CA-O 3.48Å; I169-A189 WeakPolarHBondContact CG2-O 3.32Å; T170-A189 PolarHBondContact N-O 3.05Å; T170-A189 VanDerWaalsContact OG1-C 3.26Å; T170-A189 PolarHBondContact OG1-O 3.34Å; T170-A189 VanDerWaalsContact OG1-O 3.07Å; D171-A189 PolarHBondContact O-N 3.31Å; A189-N194 WeakPolarHBondContact CA-O 3.38Å; A189-L195 HydrophobicContact CB-CD2 3.56Å; A189-C217 HydrophobicContact CB-CB 4Å; A189-V220 HydrophobicContact CB-CB 4.17Å; A189-V220 HydrophobicContact CB-CG1 4.09Å |
| 190 | D | 97.5 | Very high | 93.9 | Very high | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 175.3 | 173.7 | 70.6 | 31.6 | 0 | 0 | 0 | 113.6 | H165 E167 S168 S192 G193 N194 | H165-D190 HydrophobicContact CB-CB 4.27Å; H165-D190 IonicContact CE1-OD2 2.76Å; H165-D190 IonicContact CG-OD2 3.26Å; H165-D190 WeakPolarHBondContact ND1-CB 3.23Å; H165-D190 IonicContact ND1-OD2 3.36Å; H165-D190 PolarHBondContact ND1-OD2 3.41Å; E167-D190 HydrophobicContact CB-CB 4.16Å; S168-D190 CarbonylContact O-C 3.55Å; S168-D190 VanDerWaalsContact O-CA 3.28Å; S168-D190 WeakPolarHBondContact O-CA 3.49Å; S168-D190 WeakPolarHBondContact O-CB 3.45Å; D190-S192 VanDerWaalsContact C-N 3.25Å; D190-S192 PolarHBondContact O-N 3.19Å; D190-S192 WeakPolarHBondContact OD1-CA 3.48Å; D190-S192 PolarHBondContact OD1-N 3.33Å; D190-S192 PolarHBondContact OD1-OG 3.26Å; D190-S192 PolarHBondContact OD2-OG 3.07Å; D190-G193 WeakPolarHBondContact O-CA 3.17Å; D190-G193 PolarHBondContact O-N 3.22Å; D190-G193 PolarHBondContact OD1-N 3.14Å; D190-N194 PolarHBondContact N-O 3.38Å; D190-N194 VanDerWaalsContact N-O 3.11Å; D190-N194 PolarHBondContact OD1-N 2.97Å; D190-N194 WeakPolarHBondContact OD2-CB 3.37Å |
| 191 | D | 95.6 | Very high | 95 | Very high | 78 Ų | 78 | 26.9 Ų | 26.9 | 42% | 0.417 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -14.3 | -176.3 | -154.5 | 41.9 | 0 | 0 | 0 | 114.1 | S168 T170 G193 S216 | S168-D191 PolarHBondContact O-N 2.86Å; T170-D191 HydrophobicContact CG2-CB 4Å; D191-G193 VanDerWaalsContact C-N 3.28Å; D191-S216 WeakPolarHBondContact O-CA 3.39Å; D191-S216 WeakPolarHBondContact O-CB 3.25Å; D191-S216 WeakPolarHBondContact OD1-CB 3.18Å; D191-S216 PolarHBondContact OD1-OG 2.92Å |
| 192 | S | 95.8 | Very high | 95.5 | Very high | 17 Ų | 17 | 26.8 Ų | 26.8 | 12% | 0.119 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87 | -1.2 | 166.9 | 61 | 0 | 0 | 0 | 0 | 113.1 | D190 N194 D214 M215 | D190-S192 VanDerWaalsContact C-N 3.25Å; D190-S192 PolarHBondContact O-N 3.19Å; D190-S192 WeakPolarHBondContact OD1-CA 3.48Å; D190-S192 PolarHBondContact OD1-N 3.33Å; D190-S192 PolarHBondContact OD1-OG 3.26Å; D190-S192 PolarHBondContact OD2-OG 3.07Å; S192-N194 VanDerWaalsContact C-N 3.34Å; S192-N194 PolarHBondContact OG-ND2 2.93Å; S192-D214 WeakPolarHBondContact O-CA 3.32Å; S192-D214 PolarHBondContact O-N 3.36Å; S192-M215 PolarHBondContact O-N 3.2Å |
| 193 | G | 95.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 16% | 0.158 | C | C | . | . | trans | 84 | 1.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | D190 D191 G212 M215 | D190-G193 WeakPolarHBondContact O-CA 3.17Å; D190-G193 PolarHBondContact O-N 3.22Å; D190-G193 PolarHBondContact OD1-N 3.14Å; D191-G193 VanDerWaalsContact C-N 3.28Å; G193-G212 WeakPolarHBondContact O-CA 3.15Å; G193-M215 WeakPolarHBondContact CA-O 3.48Å; G193-M215 PolarHBondContact N-O 2.86Å | ||
| 194 | N | 97.8 | Very high | 96.3 | Very high | 58 Ų | 58 | 25.3 Ų | 25.3 | 31% | 0.31 | 13% | 0.132 | S | C | . | . | trans | -68.2 | 142.2 | 178.9 | -59.8 | -50.6 | 0 | 0 | 0 | 109 | H165 A189 D190 S192 I210 P211 G212 | H165-N194 PolarHBondContact CE1-O 2.77Å; H165-N194 VanDerWaalsContact CE1-O 3.25Å; A189-N194 WeakPolarHBondContact CA-O 3.38Å; D190-N194 PolarHBondContact N-O 3.38Å; D190-N194 VanDerWaalsContact N-O 3.11Å; D190-N194 PolarHBondContact OD1-N 2.97Å; D190-N194 WeakPolarHBondContact OD2-CB 3.37Å; S192-N194 VanDerWaalsContact C-N 3.34Å; S192-N194 PolarHBondContact OG-ND2 2.93Å; N194-I210 WeakPolarHBondContact CA-O 3.41Å; N194-P211 WeakPolarHBondContact OD1-CA 3.44Å; N194-G212 PolarHBondContact OD1-N 3.4Å | ||
| 195 | L | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 132.5 | 176.8 | -44.1 | 173.6 | 0 | 0 | 0 | 108.7 | V187 S188 A189 K209 I210 C217 V220 V227 A229 Y239 | V187-L195 HydrophobicContact CG2-CB 4.36Å; S188-L195 CarbonylContact O-C 3.6Å; S188-L195 VanDerWaalsContact O-CA 3.23Å; S188-L195 WeakPolarHBondContact O-CA 3.34Å; A189-L195 HydrophobicContact CB-CD2 3.56Å; L195-K209 CarbonylContact O-C 3.58Å; L195-K209 WeakPolarHBondContact O-CA 3.42Å; L195-I210 HydrophobicContact CB-CB 4.15Å; L195-I210 HydrophobicContact CD1-CB 4.47Å; L195-I210 PolarHBondContact N-O 3.29Å; L195-I210 PolarHBondContact O-N 2.86Å; L195-C217 HydrophobicContact CD2-CB 4.2Å; L195-V220 HydrophobicContact CD2-CG2 4.43Å; L195-V227 HydrophobicContact CD1-CG1 3.81Å; L195-A229 HydrophobicContact CD1-CB 3.84Å; L195-A229 HydrophobicContact CD2-CB 4.48Å; L195-Y239 HydrophobicContact CD1-CD2 4.09Å; L195-Y239 HydrophobicContact CD1-CE2 3.98Å |
| 196 | C | 98.6 | Very high | 96.5 | Very high | 2 Ų | 2 | 33.5 Ų | 33.5 | 1% | 0.014 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 130.2 | 167.8 | -65.6 | 0 | 0 | 0 | 0 | 108.8 | H165 V187 S188 W198 L206 | H165-C196 VanDerWaalsContact CE1-SG 3.59Å; H165-C196 WeakPolarHBondContact NE2-CB 3.3Å; H165-C196 PolarHBondContact NE2-SG 3.13Å; H165-C196 VanDerWaalsContact NE2-SG 3.38Å; V187-C196 WeakPolarHBondContact CA-O 3.32Å; V187-C196 WeakPolarHBondContact CG2-O 3.48Å; S188-C196 PolarHBondContact N-O 3.33Å; S188-C196 PolarHBondContact O-N 2.91Å; S188-C196 WeakPolarHBondContact OG-CB 3.28Å; S188-C196 PolarHBondContact OG-O 3.15Å; C196-W198 HydrophobicContact CB-CZ2 3.53Å; C196-W198 PolarHBondContact O-NE1 3.03Å; C196-W198 VanDerWaalsContact O-NE1 3.11Å; C196-L206 HydrophobicContact CB-CD1 3.64Å |
| 197 | V | 98.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 132.9 | 179 | 178.7 | 0 | 0 | 0 | 0 | 108.5 | A184 V187 L207 N208 I210 V227 A241 | A184-V197 HydrophobicContact CB-CG1 3.4Å; V187-V197 HydrophobicContact CG2-CG2 4.27Å; V197-L207 HydrophobicContact CG1-CB 4.39Å; V197-L207 HydrophobicContact CG1-CD1 4.42Å; V197-L207 PolarHBondContact O-N 2.81Å; V197-N208 HydrophobicContact CB-CB 4.2Å; V197-N208 PolarHBondContact N-O 2.89Å; V197-N208 PolarHBondContact O-N 2.96Å; V197-I210 HydrophobicContact CG2-CD1 4.2Å; V197-V227 HydrophobicContact CG2-CG2 3.97Å; V197-A241 HydrophobicContact CG1-CB 3.89Å |
| 198 | W | 98.3 | Very high | 96.5 | Very high | 5 Ų | 5 | 38.1 Ų | 38.1 | 2% | 0.019 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 149.9 | -168.4 | -50 | 86.8 | 0 | 0 | 0 | 112 | M144 L162 E164 A184 D185 M186 S188 C196 Q205 L206 | M144-W198 HydrophobicContact CE-CZ2 4.4Å; M144-W198 HydrophobicContact SD-CZ2 4.05Å; L162-W198 HydrophobicContact CB-CH2 3.79Å; L162-W198 HydrophobicContact CB-CZ2 4.49Å; L162-W198 HydrophobicContact CB-CZ3 4.15Å; L162-W198 HydrophobicContact CD1-CD2 4.41Å; L162-W198 HydrophobicContact CD1-CE3 4.09Å; L162-W198 HydrophobicContact CD1-CH2 4.06Å; L162-W198 HydrophobicContact CD1-CZ2 4.44Å; L162-W198 HydrophobicContact CD1-CZ3 3.9Å; L162-W198 HydrophobicContact CD2-CZ3 4.29Å; L162-W198 HydrophobicContact CG-CH2 4.4Å; L162-W198 HydrophobicContact CG-CZ3 4.34Å; E164-W198 HydrophobicContact CB-CH2 3.66Å; E164-W198 HydrophobicContact CB-CZ2 4.03Å; E164-W198 HydrophobicContact CG-CH2 3.31Å; E164-W198 HydrophobicContact CG-CZ2 4.16Å; E164-W198 HydrophobicContact CG-CZ3 3.97Å; A184-W198 WeakPolarHBondContact CA-O 3.26Å; D185-W198 PolarHBondContact N-O 3.28Å; M186-W198 HydrophobicContact CB-CB 4.24Å; M186-W198 HydrophobicContact CE-CB 3.73Å; M186-W198 VanDerWaalsContact CE-CD1 3.5Å; M186-W198 HydrophobicContact CE-CD2 4.07Å; M186-W198 HydrophobicContact CE-CG 3.48Å; M186-W198 VanDerWaalsContact CE-CG 3.48Å; M186-W198 PolarHBondContact N-O 2.93Å; M186-W198 PolarHBondContact O-N 2.76Å; S188-W198 PolarHBondContact OG-NE1 2.98Å; C196-W198 HydrophobicContact CB-CZ2 3.53Å; C196-W198 PolarHBondContact O-NE1 3.03Å; C196-W198 VanDerWaalsContact O-NE1 3.11Å; W198-Q205 CarbonylContact C-O 3.58Å; W198-Q205 VanDerWaalsContact CA-O 3.31Å; W198-Q205 WeakPolarHBondContact CA-O 3.49Å; W198-L206 HydrophobicContact CD2-CD1 4.21Å; W198-L206 HydrophobicContact CE3-CB 3.99Å; W198-L206 HydrophobicContact CE3-CD1 4.13Å; W198-L206 HydrophobicContact CH2-CD1 4.13Å; W198-L206 HydrophobicContact CZ2-CD1 4.14Å; W198-L206 HydrophobicContact CZ3-CB 3.85Å; W198-L206 HydrophobicContact CZ3-CD1 4.09Å |
| 199 | K | 96.6 | Very high | 96.5 | Very high | 46 Ų | 46 | 42.8 Ų | 42.8 | 20% | 0.2 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 109.5 | 161.2 | -176.1 | 43.3 | 155.2 | -179.9 | 0 | 108.2 | C182 I183 D185 Q205 L207 | C182-K199 VanDerWaalsContact O-CE 3.24Å; C182-K199 WeakPolarHBondContact O-CE 3.25Å; C182-K199 PolarHBondContact O-NZ 2.9Å; I183-K199 WeakPolarHBondContact O-CB 3.42Å; I183-K199 WeakPolarHBondContact O-CD 3.18Å; I183-K199 WeakPolarHBondContact O-CE 3.41Å; I183-K199 WeakPolarHBondContact O-CG 3.47Å; D185-K199 WeakPolarHBondContact OD2-CD 3.38Å; D185-K199 IonicContact OD2-NZ 2.93Å; D185-K199 PolarHBondContact OD2-NZ 3.35Å; K199-Q205 PolarHBondContact N-O 2.87Å; K199-Q205 PolarHBondContact O-N 2.98Å; K199-L207 HydrophobicContact CB-CD1 3.86Å; K199-L207 HydrophobicContact CB-CD2 4Å; K199-L207 HydrophobicContact CB-CG 3.93Å |
| 200 | S | 94.4 | Very high | 96.4 | Very high | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.007 | 22% | 0.218 | C | C | . | . | trans | -62.1 | 156.6 | 168.2 | 54.4 | 0 | 0 | 0 | 0 | 109.7 | V130 R131 D185 F204 | V130-S200 VanDerWaalsContact CG1-OG 3.3Å; V130-S200 WeakPolarHBondContact CG1-OG 3.16Å; R131-S200 WeakPolarHBondContact CD-OG 3.39Å; R131-S200 WeakPolarHBondContact CG-OG 3.23Å; R131-S200 VanDerWaalsContact NE-C 3.3Å; R131-S200 PolarHBondContact NE-O 3.49Å; R131-S200 PolarHBondContact NE-OG 3.21Å; R131-S200 VanDerWaalsContact NH2-C 3.31Å; R131-S200 PolarHBondContact NH2-O 2.94Å; D185-S200 WeakPolarHBondContact OD1-CB 3.42Å; D185-S200 PolarHBondContact OD1-N 3.34Å; D185-S200 PolarHBondContact OD1-OG 3.02Å; D185-S200 PolarHBondContact OD2-OG 2.86Å; S200-F204 VanDerWaalsContact CB-CE1 3.47Å; S200-F204 VanDerWaalsContact CB-CZ 3.4Å | ||
| 201 | G | 91.6 | Very high | 96.3 | Very high | 17 Ų | 17 | 46.2 Ų | 46.2 | 18% | 0.175 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -160.9 | -151.3 | -166.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | R131 D203 | R131-G201 VanDerWaalsContact CZ-CA 3.45Å; R131-G201 VanDerWaalsContact CZ-N 3.33Å; R131-G201 VanDerWaalsContact NH1-C 3.32Å; R131-G201 PolarHBondContact NH1-O 3.44Å; R131-G201 VanDerWaalsContact NH1-O 3.08Å; G201-D203 VanDerWaalsContact C-N 3.29Å; G201-D203 WeakPolarHBondContact CA-O 3.43Å; G201-D203 PolarHBondContact N-O 3.02Å |
| 202 | E | 89 | Confident | 95.6 | Very high | 178 Ų | 178 | 42.5 Ų | 42.5 | 83% | 0.832 | 22% | 0.218 | S | C | * | . | S | Bend | trans | -63.2 | -45.7 | 151.5 | -177.5 | 171.3 | -173.4 | 0 | 0 | 108.6 | ||
| 203 | D | 92.9 | Very high | 95.1 | Very high | 102 Ų | 102 | 48.6 Ų | 48.6 | 55% | 0.545 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -115.2 | 155.7 | 166.1 | -51.9 | -55.2 | 0 | 0 | 0 | 110.3 | G201 | G201-D203 VanDerWaalsContact C-N 3.29Å; G201-D203 WeakPolarHBondContact CA-O 3.43Å; G201-D203 PolarHBondContact N-O 3.02Å |
| 204 | F | 96.8 | Very high | 94.8 | Very high | 14 Ų | 14 | 55.7 Ų | 55.7 | 6% | 0.061 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -77.5 | 125.1 | 172.4 | -83 | -114.8 | 0 | 0 | 0 | 110.9 | V130 Y134 C136 V146 E160 L162 M186 S200 | V130-F204 HydrophobicContact CB-CZ 4.27Å; V130-F204 HydrophobicContact CG1-CE1 4.07Å; V130-F204 HydrophobicContact CG1-CZ 4.03Å; Y134-F204 HydrophobicContact CD1-CE2 4.47Å; Y134-F204 HydrophobicContact CD2-CE2 4.03Å; Y134-F204 HydrophobicContact CD2-CZ 4.3Å; Y134-F204 HydrophobicContact CE2-CE2 4.4Å; Y134-F204 HydrophobicContact CG-CE2 4.07Å; Y134-F204 HydrophobicContact CG-CZ 4.29Å; C136-F204 VanDerWaalsContact SG-CZ 3.59Å; V146-F204 HydrophobicContact CG1-CD2 4.07Å; V146-F204 HydrophobicContact CG1-CE2 3.48Å; V146-F204 VanDerWaalsContact CG1-CE2 3.48Å; V146-F204 HydrophobicContact CG1-CZ 3.97Å; V146-F204 HydrophobicContact CG2-CD2 4.24Å; V146-F204 HydrophobicContact CG2-CE2 4.25Å; V146-F204 HydrophobicContact CG2-CZ 4.5Å; E160-F204 PolarHBondContact OE2-N 3.24Å; L162-F204 HydrophobicContact CD1-CB 3.88Å; L162-F204 HydrophobicContact CD1-CD1 4.07Å; L162-F204 HydrophobicContact CD1-CG 4.11Å; L162-F204 HydrophobicContact CD2-CB 3.79Å; L162-F204 HydrophobicContact CG-CB 4.48Å; M186-F204 HydrophobicContact CE-CD1 3.52Å; M186-F204 HydrophobicContact CE-CE1 3.47Å; M186-F204 VanDerWaalsContact CE-CE1 3.47Å; M186-F204 HydrophobicContact SD-CE1 3.95Å; S200-F204 VanDerWaalsContact CB-CE1 3.47Å; S200-F204 VanDerWaalsContact CB-CZ 3.4Å |
| 205 | Q | 97.3 | Very high | 94.5 | Very high | 126 Ų | 126 | 54.8 Ų | 54.8 | 59% | 0.589 | 28% | 0.275 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 126.5 | 178.1 | -64.1 | -173.4 | -9.1 | 0 | 0 | 110.4 | W198 K199 L207 | W198-Q205 CarbonylContact C-O 3.58Å; W198-Q205 VanDerWaalsContact CA-O 3.31Å; W198-Q205 WeakPolarHBondContact CA-O 3.49Å; K199-Q205 PolarHBondContact N-O 2.87Å; K199-Q205 PolarHBondContact O-N 2.98Å; Q205-L207 PolarHBondContact O-N 2.71Å |
| 206 | L | 98.2 | Very high | 94.3 | Very high | 58 Ų | 58 | 55.5 Ų | 55.5 | 30% | 0.304 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 120 | 167.1 | -179.5 | 72.8 | 0 | 0 | 0 | 109.1 | E164 C196 W198 N208 K209 | E164-L206 HydrophobicContact CG-CD1 4.48Å; E164-L206 HydrophobicContact CG-CD2 4.04Å; C196-L206 HydrophobicContact CB-CD1 3.64Å; W198-L206 HydrophobicContact CD2-CD1 4.21Å; W198-L206 HydrophobicContact CE3-CB 3.99Å; W198-L206 HydrophobicContact CE3-CD1 4.13Å; W198-L206 HydrophobicContact CH2-CD1 4.13Å; W198-L206 HydrophobicContact CZ2-CD1 4.14Å; W198-L206 HydrophobicContact CZ3-CB 3.85Å; W198-L206 HydrophobicContact CZ3-CD1 4.09Å; L206-N208 WeakPolarHBondContact CD1-O 3.38Å; L206-K209 HydrophobicContact CD1-CG 4.27Å; L206-K209 HydrophobicContact CD2-CD 4.21Å; L206-K209 HydrophobicContact CD2-CG 3.9Å |
| 207 | L | 98.1 | Very high | 94.3 | Very high | 62 Ų | 62 | 55.4 Ų | 55.4 | 33% | 0.325 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | -41 | 176.9 | -64.3 | -178.3 | 0 | 0 | 0 | 112.3 | I183 A184 V197 K199 Q205 | I183-L207 HydrophobicContact CG2-CD1 4.13Å; I183-L207 WeakPolarHBondContact O-CD1 3.06Å; A184-L207 HydrophobicContact CB-CD1 3.79Å; V197-L207 HydrophobicContact CG1-CB 4.39Å; V197-L207 HydrophobicContact CG1-CD1 4.42Å; V197-L207 PolarHBondContact O-N 2.81Å; K199-L207 HydrophobicContact CB-CD1 3.86Å; K199-L207 HydrophobicContact CB-CD2 4Å; K199-L207 HydrophobicContact CB-CG 3.93Å; Q205-L207 PolarHBondContact O-N 2.71Å |
| 208 | N | 98 | Very high | 94.2 | Very high | 35 Ų | 35 | 55.4 Ų | 55.4 | 19% | 0.187 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 154.9 | -174.6 | -162.4 | 14.2 | 0 | 0 | 0 | 112.3 | V197 L206 V242 T243 G244 | V197-N208 HydrophobicContact CB-CB 4.2Å; V197-N208 PolarHBondContact N-O 2.89Å; V197-N208 PolarHBondContact O-N 2.96Å; L206-N208 WeakPolarHBondContact CD1-O 3.38Å; N208-V242 PolarHBondContact ND2-O 2.85Å; N208-T243 VanDerWaalsContact ND2-C 3.26Å; N208-G244 WeakPolarHBondContact ND2-CA 3.44Å; N208-G244 PolarHBondContact ND2-N 3.02Å |
| 209 | K | 97.9 | Very high | 94.2 | Very high | 99 Ų | 99 | 55.1 Ų | 55.1 | 43% | 0.43 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 121 | 168.5 | -63.8 | -165 | 179.2 | -166 | 0 | 109.6 | E164 L195 L206 | E164-K209 PolarHBondContact O-NZ 2.95Å; E164-K209 WeakPolarHBondContact OE2-CE 3.38Å; E164-K209 IonicContact OE2-NZ 2.62Å; E164-K209 PolarHBondContact OE2-NZ 2.59Å; L195-K209 CarbonylContact O-C 3.58Å; L195-K209 WeakPolarHBondContact O-CA 3.42Å; L206-K209 HydrophobicContact CD1-CG 4.27Å; L206-K209 HydrophobicContact CD2-CD 4.21Å; L206-K209 HydrophobicContact CD2-CG 3.9Å |
| 210 | I | 97.8 | Very high | 94.3 | Very high | 7 Ų | 7 | 53 Ų | 53 | 4% | 0.036 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 117.3 | 179.4 | -53.9 | 173.4 | 0 | 0 | 0 | 107.7 | N194 L195 V197 Y239 | N194-I210 WeakPolarHBondContact CA-O 3.41Å; L195-I210 HydrophobicContact CB-CB 4.15Å; L195-I210 HydrophobicContact CD1-CB 4.47Å; L195-I210 PolarHBondContact N-O 3.29Å; L195-I210 PolarHBondContact O-N 2.86Å; V197-I210 HydrophobicContact CG2-CD1 4.2Å; I210-Y239 HydrophobicContact CD1-CD1 4.34Å; I210-Y239 HydrophobicContact CD1-CG 4.03Å; I210-Y239 HydrophobicContact CG2-CD1 3.66Å; I210-Y239 HydrophobicContact CG2-CE1 3.54Å; I210-Y239 HydrophobicContact CG2-CE2 4.49Å; I210-Y239 HydrophobicContact CG2-CG 4.18Å |
| 211 | P | 94.3 | Very high | 94.5 | Very high | 65 Ų | 65 | 54 Ų | 54 | 42% | 0.422 | 27% | 0.273 | S | S | . | . | trans | -71.1 | 134.8 | -177.1 | 27.2 | -33.1 | 0 | 0 | 0 | 112.1 | N194 F213 | N194-P211 WeakPolarHBondContact OD1-CA 3.44Å; P211-F213 HydrophobicContact CB-CE1 4.39Å; P211-F213 HydrophobicContact CB-CZ 4.3Å; P211-F213 HydrophobicContact CG-CE1 4.29Å; P211-F213 HydrophobicContact CG-CE2 4.15Å; P211-F213 HydrophobicContact CG-CZ 3.82Å | ||
| 212 | G | 80.4 | Confident | 94.8 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 27% | 0.265 | C | S | . | . | trans | -85.3 | -13.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | G193 N194 D214 M215 | G193-G212 WeakPolarHBondContact O-CA 3.15Å; N194-G212 PolarHBondContact OD1-N 3.4Å; G212-D214 VanDerWaalsContact C-N 3.32Å; G212-D214 PolarHBondContact O-N 3.01Å; G212-M215 VanDerWaalsContact O-CE 3.25Å; G212-M215 WeakPolarHBondContact O-CE 3.5Å; G212-M215 PolarHBondContact O-N 3.38Å | ||
| 213 | F | 85.8 | Confident | 95.1 | Very high | 145 Ų | 145 | 45 Ų | 45 | 64% | 0.636 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | 46.5 | -175.2 | -52 | -77.6 | 0 | 0 | 0 | 113.2 | P211 M215 | P211-F213 HydrophobicContact CB-CE1 4.39Å; P211-F213 HydrophobicContact CB-CZ 4.3Å; P211-F213 HydrophobicContact CG-CE1 4.29Å; P211-F213 HydrophobicContact CG-CE2 4.15Å; P211-F213 HydrophobicContact CG-CZ 3.82Å; F213-M215 VanDerWaalsContact C-N 3.25Å; F213-M215 HydrophobicContact CB-CE 4.13Å; F213-M215 PolarHBondContact O-N 3.13Å |
| 214 | D | 89.2 | Confident | 95.2 | Very high | 149 Ų | 149 | 45.1 Ų | 45.1 | 80% | 0.797 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.6 | 28.7 | 176.3 | -54.8 | -38.5 | 0 | 0 | 0 | 114.5 | S192 G212 | S192-D214 WeakPolarHBondContact O-CA 3.32Å; S192-D214 PolarHBondContact O-N 3.36Å; G212-D214 VanDerWaalsContact C-N 3.32Å; G212-D214 PolarHBondContact O-N 3.01Å |
| 215 | M | 92.2 | Very high | 95.1 | Very high | 39 Ų | 39 | 45.7 Ų | 45.7 | 19% | 0.192 | 23% | 0.231 | C | C | . | . | trans | -110.7 | 109.1 | 172.3 | -69.4 | 174.9 | -69.3 | 0 | 0 | 109.5 | S192 G193 G212 F213 C217 Y231 T233 | S192-M215 PolarHBondContact O-N 3.2Å; G193-M215 WeakPolarHBondContact CA-O 3.48Å; G193-M215 PolarHBondContact N-O 2.86Å; G212-M215 VanDerWaalsContact O-CE 3.25Å; G212-M215 WeakPolarHBondContact O-CE 3.5Å; G212-M215 PolarHBondContact O-N 3.38Å; F213-M215 VanDerWaalsContact C-N 3.25Å; F213-M215 HydrophobicContact CB-CE 4.13Å; F213-M215 PolarHBondContact O-N 3.13Å; M215-C217 PolarHBondContact O-N 3.17Å; M215-Y231 HydrophobicContact CB-CD1 4Å; M215-Y231 VanDerWaalsContact O-CD1 3.27Å; M215-Y231 WeakPolarHBondContact O-CD1 3.4Å; M215-T233 HydrophobicContact CG-CG2 4Å; M215-T233 HydrophobicContact SD-CG2 3.76Å | ||
| 216 | S | 94.9 | Very high | 95 | Very high | 15 Ų | 15 | 39.7 Ų | 39.7 | 11% | 0.105 | 20% | 0.203 | C | C | . | . | trans | -51.6 | 126.9 | 179.2 | 179.5 | 0 | 0 | 0 | 0 | 112.1 | D191 Y231 G232 | D191-S216 WeakPolarHBondContact O-CA 3.39Å; D191-S216 WeakPolarHBondContact O-CB 3.25Å; D191-S216 WeakPolarHBondContact OD1-CB 3.18Å; D191-S216 PolarHBondContact OD1-OG 2.92Å; S216-Y231 WeakPolarHBondContact O-CA 3.09Å; S216-G232 PolarHBondContact O-N 3.04Å | ||
| 217 | C | 97.4 | Very high | 95 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 104.2 | 175.5 | 175.7 | 0 | 0 | 0 | 0 | 108.2 | T170 A189 L195 M215 G230 Y231 | T170-C217 WeakPolarHBondContact CB-O 3.23Å; T170-C217 PolarHBondContact OG1-O 3.37Å; A189-C217 HydrophobicContact CB-CB 4Å; L195-C217 HydrophobicContact CD2-CB 4.2Å; M215-C217 PolarHBondContact O-N 3.17Å; C217-G230 CarbonylContact C-O 3.22Å; C217-Y231 HydrophobicContact CB-CD1 4.03Å; C217-Y231 HydrophobicContact CB-CE1 3.81Å |
| 218 | S | 96.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | -20.4 | -174.2 | 37 | 0 | 0 | 0 | 0 | 114 | N19 G230 W256 I257 | N19-S218 PolarHBondContact ND2-O 2.81Å; S218-G230 PolarHBondContact N-O 2.86Å; S218-G230 PolarHBondContact OG-O 2.77Å; S218-W256 VanDerWaalsContact CB-NE1 3.34Å; S218-W256 VanDerWaalsContact OG-CD1 3.31Å; S218-W256 PolarHBondContact OG-NE1 3.17Å; S218-W256 VanDerWaalsContact OG-NE1 3.13Å; S218-I257 WeakPolarHBondContact CB-O 3.15Å; S218-I257 PolarHBondContact OG-O 2.98Å |
| 219 | S | 98.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 141.5 | 172 | -169.9 | 0 | 0 | 0 | 0 | 112.2 | N19 D171 G230 L260 | N19-S219 PolarHBondContact ND2-OG 2.84Å; N19-S219 PolarHBondContact OD1-OG 2.88Å; N19-S219 VanDerWaalsContact OD1-OG 3.05Å; D171-S219 VanDerWaalsContact OD2-CA 3.26Å; D171-S219 WeakPolarHBondContact OD2-CA 3.47Å; D171-S219 PolarHBondContact OD2-OG 2.99Å; S219-G230 PolarHBondContact O-N 2.83Å; S219-L260 PolarHBondContact OG-N 3.18Å |
| 220 | V | 98.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 147.5 | 179 | 71.8 | 0 | 0 | 0 | 0 | 110.7 | D171 A173 V187 A189 L195 V227 V228 | D171-V220 HydrophobicContact CB-CG1 4.16Å; D171-V220 PolarHBondContact OD2-N 2.9Å; A173-V220 HydrophobicContact CB-CG1 4.34Å; A173-V220 VanDerWaalsContact CB-O 3.23Å; A173-V220 WeakPolarHBondContact CB-O 3.45Å; V187-V220 HydrophobicContact CB-CG2 4.39Å; V187-V220 HydrophobicContact CG1-CB 4.38Å; V187-V220 HydrophobicContact CG1-CG1 3.92Å; V187-V220 HydrophobicContact CG1-CG2 3.6Å; V187-V220 HydrophobicContact CG2-CG2 3.83Å; A189-V220 HydrophobicContact CB-CB 4.17Å; A189-V220 HydrophobicContact CB-CG1 4.09Å; L195-V220 HydrophobicContact CD2-CG2 4.43Å; V220-V227 HydrophobicContact CG2-CG1 3.63Å; V220-V228 CarbonylContact C-O 3.55Å; V220-V228 VanDerWaalsContact CA-O 3.31Å; V220-V228 WeakPolarHBondContact CA-O 3.42Å |
| 221 | K | 98.6 | Very high | 95.1 | Very high | 22 Ų | 22 | 27.2 Ų | 27.2 | 10% | 0.096 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 154.5 | 172.2 | -62.6 | -69.9 | 159.3 | -101 | 0 | 110.5 | D171 A173 V227 V228 L260 I262 | D171-K221 IonicContact OD2-NZ 3.75Å; D171-K221 PolarHBondContact OD2-NZ 2.78Å; A173-K221 HydrophobicContact CB-CD 4.22Å; K221-V227 CarbonylContact O-C 3.56Å; K221-V227 WeakPolarHBondContact O-CA 3.33Å; K221-V228 HydrophobicContact CB-CB 4.33Å; K221-V228 PolarHBondContact N-O 3.47Å; K221-V228 PolarHBondContact O-N 2.81Å; K221-L260 WeakPolarHBondContact CE-O 3.3Å; K221-L260 HydrophobicContact CG-CB 4.09Å; K221-I262 HydrophobicContact CB-CD1 3.66Å; K221-I262 HydrophobicContact CB-CG1 4.15Å; K221-I262 HydrophobicContact CG-CD1 4.39Å; K221-I262 HydrophobicContact CG-CG1 4.35Å |
| 222 | L | 97.8 | Very high | 95.1 | Very high | 1 Ų | 1 | 25.2 Ų | 25.2 | 1% | 0.005 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 121.1 | 175 | -178.5 | 59.8 | 0 | 0 | 0 | 108.9 | E175 C176 A184 V187 T226 V227 A241 | E175-L222 WeakPolarHBondContact CA-O 3.42Å; E175-L222 HydrophobicContact CB-CD2 3.93Å; E175-L222 HydrophobicContact CB-CG 4.08Å; C176-L222 PolarHBondContact N-O 2.97Å; C176-L222 VanDerWaalsContact N-O 3.11Å; C176-L222 PolarHBondContact SG-O 2.94Å; A184-L222 HydrophobicContact CB-CD2 4.32Å; V187-L222 HydrophobicContact CG1-CB 3.92Å; L222-T226 WeakPolarHBondContact CA-O 3.43Å; L222-V227 HydrophobicContact CD1-CG2 4.01Å; L222-A241 HydrophobicContact CD1-CB 4.06Å |
| 223 | W | 96.6 | Very high | 95.9 | Very high | 6 Ų | 6 | 28.3 Ų | 28.3 | 2% | 0.023 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 121 | -179.8 | 179.8 | 80.9 | 0 | 0 | 0 | 110.7 | E175 G225 T226 I262 P264 L283 M285 | E175-W223 WeakPolarHBondContact OE1-CA 3.31Å; W223-G225 PolarHBondContact O-N 3.36Å; W223-T226 PolarHBondContact N-O 2.86Å; W223-T226 VanDerWaalsContact O-CB 3.31Å; W223-T226 WeakPolarHBondContact O-CB 3.36Å; W223-T226 PolarHBondContact O-N 3.4Å; W223-I262 HydrophobicContact CB-CD1 3.57Å; W223-I262 HydrophobicContact CB-CG2 4.33Å; W223-I262 HydrophobicContact CG-CD1 4.27Å; W223-I262 HydrophobicContact CG-CG2 4Å; W223-P264 PolarHBondContact NE1-O 3.12Å; W223-L283 HydrophobicContact CE3-CB 4.18Å; W223-L283 HydrophobicContact CE3-CD1 4.16Å; W223-L283 HydrophobicContact CH2-CB 4.15Å; W223-L283 WeakPolarHBondContact CH2-O 3.43Å; W223-L283 HydrophobicContact CZ3-CB 3.68Å; W223-M285 HydrophobicContact CZ3-CB 4.45Å |
| 224 | K | 94.2 | Very high | 96.4 | Very high | 105 Ų | 105 | 21.4 Ų | 21.4 | 46% | 0.457 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.9 | 45.2 | -178.6 | -60.5 | -175.6 | 178.9 | 175.3 | 0 | 112.4 | E175 T226 M285 | E175-K224 PolarHBondContact OE1-N 2.9Å; E175-K224 PolarHBondContact OE2-N 3.49Å; K224-T226 PolarHBondContact O-N 3.02Å; K224-M285 WeakPolarHBondContact O-CE 3.36Å |
| 225 | G | 93.8 | Very high | 96.8 | Very high | 25 Ų | 25 | 16 Ų | 16 | 26% | 0.258 | 9% | 0.092 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.2 | 12.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | E175 W223 A241 | E175-G225 PolarHBondContact OE2-N 2.87Å; W223-G225 PolarHBondContact O-N 3.36Å; G225-A241 WeakPolarHBondContact O-CB 3.44Å; G225-A241 PolarHBondContact O-N 3.03Å |
| 226 | T | 96.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 125.3 | 174.4 | -54.5 | 0 | 0 | 0 | 0 | 110.1 | L222 W223 K224 L238 Y239 M285 V292 | L222-T226 WeakPolarHBondContact CA-O 3.43Å; W223-T226 PolarHBondContact N-O 2.86Å; W223-T226 VanDerWaalsContact O-CB 3.31Å; W223-T226 WeakPolarHBondContact O-CB 3.36Å; W223-T226 PolarHBondContact O-N 3.4Å; K224-T226 PolarHBondContact O-N 3.02Å; T226-L238 HydrophobicContact CG2-CB 4.22Å; T226-Y239 CarbonylContact C-O 3.57Å; T226-Y239 WeakPolarHBondContact CA-O 3.48Å; T226-M285 VanDerWaalsContact OG1-CE 3.31Å; T226-M285 WeakPolarHBondContact OG1-CE 3.35Å; T226-V292 HydrophobicContact CG2-CB 4.31Å; T226-V292 HydrophobicContact CG2-CG1 4.46Å; T226-V292 HydrophobicContact CG2-CG2 4.01Å; T226-V292 VanDerWaalsContact OG1-CG2 3.22Å; T226-V292 WeakPolarHBondContact OG1-CG2 3.36Å |
| 227 | V | 98.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 124.4 | 171.9 | 177.8 | 0 | 0 | 0 | 0 | 108.7 | V187 L195 V197 V220 K221 L222 L238 Y239 A241 | V187-V227 HydrophobicContact CB-CG2 4.35Å; V187-V227 HydrophobicContact CG2-CG1 3.9Å; V187-V227 HydrophobicContact CG2-CG2 4.03Å; L195-V227 HydrophobicContact CD1-CG1 3.81Å; V197-V227 HydrophobicContact CG2-CG2 3.97Å; V220-V227 HydrophobicContact CG2-CG1 3.63Å; K221-V227 CarbonylContact O-C 3.56Å; K221-V227 WeakPolarHBondContact O-CA 3.33Å; L222-V227 HydrophobicContact CD1-CG2 4.01Å; V227-L238 WeakPolarHBondContact O-CA 3.44Å; V227-Y239 PolarHBondContact N-O 2.85Å; V227-Y239 PolarHBondContact O-N 3.37Å; V227-A241 HydrophobicContact CG2-CB 3.9Å |
| 228 | V | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 112.3 | 173 | -171 | 0 | 0 | 0 | 0 | 107.9 | V220 K221 I236 L238 L260 I262 L269 L283 | V220-V228 CarbonylContact C-O 3.55Å; V220-V228 VanDerWaalsContact CA-O 3.31Å; V220-V228 WeakPolarHBondContact CA-O 3.42Å; K221-V228 HydrophobicContact CB-CB 4.33Å; K221-V228 PolarHBondContact N-O 3.47Å; K221-V228 PolarHBondContact O-N 2.81Å; V228-I236 HydrophobicContact CG1-CG2 3.81Å; V228-L238 HydrophobicContact CB-CD2 3.97Å; V228-L238 HydrophobicContact CG1-CD2 3.66Å; V228-L238 HydrophobicContact CG2-CD2 3.67Å; V228-L260 HydrophobicContact CG1-CD1 3.96Å; V228-I262 HydrophobicContact CG2-CD1 3.88Å; V228-L269 HydrophobicContact CG1-CD1 3.9Å; V228-L269 HydrophobicContact CG1-CD2 3.81Å; V228-L283 HydrophobicContact CG2-CD1 4.1Å |
| 229 | A | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 130.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111 | L195 Y231 I236 R237 Y239 | L195-A229 HydrophobicContact CD1-CB 3.84Å; L195-A229 HydrophobicContact CD2-CB 4.48Å; A229-Y231 HydrophobicContact CB-CD2 4.48Å; A229-Y231 HydrophobicContact CB-CE2 3.58Å; A229-I236 CarbonylContact O-C 3.6Å; A229-I236 WeakPolarHBondContact O-CA 3.27Å; A229-R237 PolarHBondContact N-O 3.29Å; A229-R237 PolarHBondContact O-N 2.9Å; A229-Y239 HydrophobicContact CB-CE2 4.18Å |
| 230 | G | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 127 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | C217 S218 S219 | C217-G230 CarbonylContact C-O 3.22Å; S218-G230 PolarHBondContact N-O 2.86Å; S218-G230 PolarHBondContact OG-O 2.77Å; S219-G230 PolarHBondContact O-N 2.83Å |
| 231 | Y | 97.8 | Very high | 97 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 160.8 | -170.4 | -66.5 | -84.9 | 0 | 0 | 0 | 113.5 | M215 S216 C217 A229 T233 G234 Q235 R237 Y239 I257 | M215-Y231 HydrophobicContact CB-CD1 4Å; M215-Y231 VanDerWaalsContact O-CD1 3.27Å; M215-Y231 WeakPolarHBondContact O-CD1 3.4Å; S216-Y231 WeakPolarHBondContact O-CA 3.09Å; C217-Y231 HydrophobicContact CB-CD1 4.03Å; C217-Y231 HydrophobicContact CB-CE1 3.81Å; A229-Y231 HydrophobicContact CB-CD2 4.48Å; A229-Y231 HydrophobicContact CB-CE2 3.58Å; Y231-T233 PolarHBondContact O-N 3.2Å; Y231-G234 PolarHBondContact O-N 2.84Å; Y231-Q235 PolarHBondContact N-O 2.78Å; Y231-R237 HydrophobicContact CD2-CG 4.11Å; Y231-R237 HydrophobicContact CE2-CB 3.88Å; Y231-R237 HydrophobicContact CE2-CG 3.69Å; Y231-Y239 PolarHBondContact OH-OH 2.8Å; Y231-I257 PolarHBondContact O-N 2.8Å |
| 232 | G | 95.4 | Very high | 96.8 | Very high | 23 Ų | 23 | 18 Ų | 18 | 24% | 0.237 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -20.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | S216 G234 W256 | S216-G232 PolarHBondContact O-N 3.04Å; G232-G234 PolarHBondContact O-N 3.42Å; G232-W256 VanDerWaalsContact CA-CG 3.49Å; G232-W256 VanDerWaalsContact CA-NE1 3.31Å; G232-W256 WeakPolarHBondContact O-CA 3.22Å |
| 233 | T | 95.8 | Very high | 96.6 | Very high | 64 Ų | 64 | 21.3 Ų | 21.3 | 39% | 0.393 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -7.6 | 173.7 | 58.9 | 0 | 0 | 0 | 0 | 113.7 | M215 Y231 Q235 | M215-T233 HydrophobicContact CG-CG2 4Å; M215-T233 HydrophobicContact SD-CG2 3.76Å; Y231-T233 PolarHBondContact O-N 3.2Å; T233-Q235 VanDerWaalsContact C-N 3.3Å; T233-Q235 PolarHBondContact OG1-N 3.32Å |
| 234 | G | 97.3 | Very high | 96.6 | Very high | 1 Ų | 1 | 21.9 Ų | 21.9 | 1% | 0.01 | 13% | 0.131 | C | C | . | . | S | Bend | trans | 83.4 | 4.1 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y231 G232 A252 H253 R255 | Y231-G234 PolarHBondContact O-N 2.84Å; G232-G234 PolarHBondContact O-N 3.42Å; G234-A252 PolarHBondContact O-N 3.23Å; G234-A252 VanDerWaalsContact O-N 3.17Å; G234-H253 WeakPolarHBondContact CA-O 3.31Å; G234-H253 PolarHBondContact O-N 2.76Å; G234-R255 WeakPolarHBondContact CA-O 3.08Å |
| 235 | Q | 97.8 | Very high | 96.6 | Very high | 35 Ų | 35 | 21.5 Ų | 21.5 | 16% | 0.164 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 141.8 | 175.1 | -77.6 | 175.7 | 58.5 | 0 | 0 | 112.4 | Y231 T233 V250 N251 I257 | Y231-Q235 PolarHBondContact N-O 2.78Å; T233-Q235 VanDerWaalsContact C-N 3.3Å; T233-Q235 PolarHBondContact OG1-N 3.32Å; Q235-V250 CarbonylContact C-O 3.54Å; Q235-V250 VanDerWaalsContact CA-O 3.23Å; Q235-V250 WeakPolarHBondContact CA-O 3.48Å; Q235-N251 VanDerWaalsContact CG-OD1 3.25Å; Q235-N251 WeakPolarHBondContact CG-OD1 3.5Å; Q235-I257 VanDerWaalsContact O-CD1 3.28Å; Q235-I257 WeakPolarHBondContact O-CD1 3.14Å |
| 236 | I | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 132.7 | 160.8 | -62.9 | 171.3 | 0 | 0 | 0 | 107.4 | V228 A229 L238 V250 A252 I257 L260 L269 W281 I294 | V228-I236 HydrophobicContact CG1-CG2 3.81Å; A229-I236 CarbonylContact O-C 3.6Å; A229-I236 WeakPolarHBondContact O-CA 3.27Å; I236-L238 HydrophobicContact CG2-CD2 4.32Å; I236-V250 HydrophobicContact CB-CB 4.49Å; I236-V250 PolarHBondContact N-O 2.81Å; I236-V250 PolarHBondContact O-N 3.31Å; I236-A252 HydrophobicContact CB-CB 4.39Å; I236-A252 HydrophobicContact CD1-CB 3.55Å; I236-A252 HydrophobicContact CG1-CB 3.71Å; I236-I257 HydrophobicContact CG1-CD1 3.66Å; I236-L260 HydrophobicContact CD1-CD2 4.23Å; I236-L260 HydrophobicContact CG1-CD2 4.41Å; I236-L269 HydrophobicContact CD1-CD2 4.25Å; I236-L269 HydrophobicContact CG2-CD2 4.35Å; I236-W281 HydrophobicContact CD1-CZ2 4.43Å; I236-I294 HydrophobicContact CG2-CD1 4.32Å |
| 237 | R | 98.1 | Very high | 96.7 | Very high | 20 Ų | 20 | 25.9 Ų | 25.9 | 8% | 0.075 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 138.4 | 172.5 | -56.3 | -177.7 | 175.5 | 173.8 | -12.4 | 110.9 | A229 Y231 Y239 A248 E249 | A229-R237 PolarHBondContact N-O 3.29Å; A229-R237 PolarHBondContact O-N 2.9Å; Y231-R237 HydrophobicContact CD2-CG 4.11Å; Y231-R237 HydrophobicContact CE2-CB 3.88Å; Y231-R237 HydrophobicContact CE2-CG 3.69Å; R237-Y239 HydrophobicContact CB-CD2 4.31Å; R237-Y239 HydrophobicContact CB-CE2 3.49Å; R237-Y239 VanDerWaalsContact CB-CE2 3.49Å; R237-Y239 WeakPolarHBondContact CD-OH 3.36Å; R237-A248 WeakPolarHBondContact CA-O 3.39Å; R237-E249 HydrophobicContact CG-CB 4.41Å; R237-E249 HydrophobicContact CG-CG 4.06Å; R237-E249 IonicContact CZ-OE1 3.64Å; R237-E249 IonicContact NE-OE1 2.98Å; R237-E249 PolarHBondContact NE-OE1 3.24Å; R237-E249 IonicContact NH2-OE1 3.92Å |
| 238 | L | 98.2 | Very high | 96.6 | Very high | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 124.6 | 176.5 | -57.6 | -169.8 | 0 | 0 | 0 | 109.1 | T226 V227 V228 I236 V246 H247 A248 L283 V292 I294 | T226-L238 HydrophobicContact CG2-CB 4.22Å; V227-L238 WeakPolarHBondContact O-CA 3.44Å; V228-L238 HydrophobicContact CB-CD2 3.97Å; V228-L238 HydrophobicContact CG1-CD2 3.66Å; V228-L238 HydrophobicContact CG2-CD2 3.67Å; I236-L238 HydrophobicContact CG2-CD2 4.32Å; L238-V246 CarbonylContact O-C 3.43Å; L238-V246 WeakPolarHBondContact O-CA 3.35Å; L238-H247 HydrophobicContact CB-CB 4.16Å; L238-H247 PolarHBondContact O-N 2.8Å; L238-A248 HydrophobicContact CB-CB 4.27Å; L238-A248 HydrophobicContact CD1-CB 4.11Å; L238-A248 HydrophobicContact CG-CB 4.18Å; L238-A248 PolarHBondContact N-O 3.45Å; L238-L283 HydrophobicContact CD1-CD2 3.97Å; L238-L283 HydrophobicContact CD2-CD2 4.39Å; L238-V292 HydrophobicContact CD1-CB 4.3Å; L238-V292 HydrophobicContact CD1-CG1 3.75Å; L238-I294 HydrophobicContact CD1-CB 3.95Å; L238-I294 HydrophobicContact CD1-CG2 4.02Å |
| 239 | Y | 97.1 | Very high | 96.5 | Very high | 6 Ų | 6 | 32.1 Ų | 32.1 | 2% | 0.024 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 141.6 | 176.9 | -54.7 | -92.5 | 0 | 0 | 0 | 110.4 | L195 I210 T226 V227 A229 Y231 R237 A241 I245 V246 | L195-Y239 HydrophobicContact CD1-CD2 4.09Å; L195-Y239 HydrophobicContact CD1-CE2 3.98Å; I210-Y239 HydrophobicContact CD1-CD1 4.34Å; I210-Y239 HydrophobicContact CD1-CG 4.03Å; I210-Y239 HydrophobicContact CG2-CD1 3.66Å; I210-Y239 HydrophobicContact CG2-CE1 3.54Å; I210-Y239 HydrophobicContact CG2-CE2 4.49Å; I210-Y239 HydrophobicContact CG2-CG 4.18Å; T226-Y239 CarbonylContact C-O 3.57Å; T226-Y239 WeakPolarHBondContact CA-O 3.48Å; V227-Y239 PolarHBondContact N-O 2.85Å; V227-Y239 PolarHBondContact O-N 3.37Å; A229-Y239 HydrophobicContact CB-CE2 4.18Å; Y231-Y239 PolarHBondContact OH-OH 2.8Å; R237-Y239 HydrophobicContact CB-CD2 4.31Å; R237-Y239 HydrophobicContact CB-CE2 3.49Å; R237-Y239 VanDerWaalsContact CB-CE2 3.49Å; R237-Y239 WeakPolarHBondContact CD-OH 3.36Å; Y239-A241 PolarHBondContact O-N 3.11Å; Y239-I245 CarbonylContact C-O 3.44Å; Y239-I245 VanDerWaalsContact CA-O 3.3Å; Y239-I245 WeakPolarHBondContact CA-O 3.5Å; Y239-V246 HydrophobicContact CD1-CG2 3.69Å; Y239-V246 HydrophobicContact CE1-CG2 3.46Å; Y239-V246 VanDerWaalsContact CE1-CG2 3.46Å |
| 240 | E | 95.6 | Very high | 96.5 | Very high | 32 Ų | 32 | 33.5 Ų | 33.5 | 15% | 0.15 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 124.2 | 160.5 | -161.5 | -144.5 | 137.4 | 0 | 0 | 108.6 | V242 T243 G244 I245 H247 | E240-V242 VanDerWaalsContact C-N 3.32Å; E240-V242 PolarHBondContact O-N 2.78Å; E240-T243 WeakPolarHBondContact OE2-CB 3.18Å; E240-T243 WeakPolarHBondContact OE2-CG2 3.49Å; E240-T243 PolarHBondContact OE2-OG1 2.68Å; E240-G244 VanDerWaalsContact O-CA 3.25Å; E240-G244 WeakPolarHBondContact O-CA 3.26Å; E240-G244 PolarHBondContact O-N 3Å; E240-I245 PolarHBondContact N-O 2.92Å; E240-H247 WeakPolarHBondContact CB-NE2 3.47Å |
| 241 | A | 95.3 | Very high | 96.5 | Very high | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.008 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -39 | -170.6 | 0 | 0 | 0 | 0 | 0 | 113 | A184 V197 L222 G225 V227 Y239 | A184-A241 HydrophobicContact CB-CB 4.08Å; V197-A241 HydrophobicContact CG1-CB 3.89Å; L222-A241 HydrophobicContact CD1-CB 4.06Å; G225-A241 WeakPolarHBondContact O-CB 3.44Å; G225-A241 PolarHBondContact O-N 3.03Å; V227-A241 HydrophobicContact CG2-CB 3.9Å; Y239-A241 PolarHBondContact O-N 3.11Å |
| 242 | V | 93.6 | Very high | 96.5 | Very high | 58 Ų | 58 | 40.2 Ų | 40.2 | 35% | 0.352 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -45.9 | -172.8 | -177.7 | 0 | 0 | 0 | 0 | 111.7 | I183 N208 E240 | I183-V242 HydrophobicContact CB-CG2 4.05Å; I183-V242 HydrophobicContact CD1-CG2 4.37Å; I183-V242 HydrophobicContact CG2-CG2 3.67Å; N208-V242 PolarHBondContact ND2-O 2.85Å; E240-V242 VanDerWaalsContact C-N 3.32Å; E240-V242 PolarHBondContact O-N 2.78Å |
| 243 | T | 94.3 | Very high | 96.6 | Very high | 71 Ų | 71 | 39.8 Ų | 39.8 | 44% | 0.436 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | -22.2 | -176.7 | 68 | 0 | 0 | 0 | 0 | 113.5 | N208 E240 I245 | N208-T243 VanDerWaalsContact ND2-C 3.26Å; E240-T243 WeakPolarHBondContact OE2-CB 3.18Å; E240-T243 WeakPolarHBondContact OE2-CG2 3.49Å; E240-T243 PolarHBondContact OE2-OG1 2.68Å; T243-I245 HydrophobicContact CG2-CD1 4.38Å; T243-I245 PolarHBondContact O-N 3.41Å; T243-I245 WeakPolarHBondContact OG1-CB 3.48Å; T243-I245 WeakPolarHBondContact OG1-CD1 3.44Å; T243-I245 WeakPolarHBondContact OG1-CG1 3.35Å; T243-I245 PolarHBondContact OG1-N 3.4Å; T243-I245 VanDerWaalsContact OG1-N 3.15Å |
| 244 | G | 95.4 | Very high | 96.7 | Very high | 18 Ų | 18 | 40.8 Ų | 40.8 | 19% | 0.186 | 24% | 0.235 | C | C | . | . | trans | 74.3 | 10.2 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | N208 E240 V246 | N208-G244 WeakPolarHBondContact ND2-CA 3.44Å; N208-G244 PolarHBondContact ND2-N 3.02Å; E240-G244 VanDerWaalsContact O-CA 3.25Å; E240-G244 WeakPolarHBondContact O-CA 3.26Å; E240-G244 PolarHBondContact O-N 3Å; G244-V246 PolarHBondContact O-N 2.82Å | ||
| 245 | I | 94.6 | Very high | 96.7 | Very high | 97 Ų | 97 | 47.6 Ų | 47.6 | 50% | 0.497 | 26% | 0.26 | S | S | . | . | trans | -64 | 132.6 | 175.6 | -69.9 | 169 | 0 | 0 | 0 | 109.3 | Y239 E240 T243 H247 | Y239-I245 CarbonylContact C-O 3.44Å; Y239-I245 VanDerWaalsContact CA-O 3.3Å; Y239-I245 WeakPolarHBondContact CA-O 3.5Å; E240-I245 PolarHBondContact N-O 2.92Å; T243-I245 HydrophobicContact CG2-CD1 4.38Å; T243-I245 PolarHBondContact O-N 3.41Å; T243-I245 WeakPolarHBondContact OG1-CB 3.48Å; T243-I245 WeakPolarHBondContact OG1-CD1 3.44Å; T243-I245 WeakPolarHBondContact OG1-CG1 3.35Å; T243-I245 PolarHBondContact OG1-N 3.4Å; T243-I245 VanDerWaalsContact OG1-N 3.15Å; I245-H247 PolarHBondContact O-N 3.36Å | ||
| 246 | V | 95.6 | Very high | 96.6 | Very high | 66 Ų | 66 | 49.5 Ų | 49.5 | 40% | 0.4 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 121.2 | 175.3 | -178.7 | 0 | 0 | 0 | 0 | 109.4 | L238 Y239 G244 E249 | L238-V246 CarbonylContact O-C 3.43Å; L238-V246 WeakPolarHBondContact O-CA 3.35Å; Y239-V246 HydrophobicContact CD1-CG2 3.69Å; Y239-V246 HydrophobicContact CE1-CG2 3.46Å; Y239-V246 VanDerWaalsContact CE1-CG2 3.46Å; G244-V246 PolarHBondContact O-N 2.82Å; V246-E249 HydrophobicContact CG1-CG 3.66Å |
| 247 | H | 96 | Very high | 96.6 | Very high | 51 Ų | 51 | 49.5 Ų | 49.5 | 24% | 0.236 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | -38.7 | 170.9 | -69.1 | -47.4 | 0 | 0 | 0 | 112.2 | L238 E240 I245 N290 V292 | L238-H247 HydrophobicContact CB-CB 4.16Å; L238-H247 PolarHBondContact O-N 2.8Å; E240-H247 WeakPolarHBondContact CB-NE2 3.47Å; I245-H247 PolarHBondContact O-N 3.36Å; H247-N290 PolarHBondContact CE1-O 3.21Å; H247-N290 PolarHBondContact NE2-O 3.04Å; H247-V292 HydrophobicContact CB-CB 4.48Å |
| 248 | A | 96.9 | Very high | 96.6 | Very high | 21 Ų | 21 | 49.7 Ų | 49.7 | 17% | 0.174 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 148 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112 | R237 L238 I294 | R237-A248 WeakPolarHBondContact CA-O 3.39Å; L238-A248 HydrophobicContact CB-CB 4.27Å; L238-A248 HydrophobicContact CD1-CB 4.11Å; L238-A248 HydrophobicContact CG-CB 4.18Å; L238-A248 PolarHBondContact N-O 3.45Å; A248-I294 HydrophobicContact CB-CG2 3.88Å |
| 249 | E | 96.8 | Very high | 96.6 | Very high | 110 Ų | 110 | 49.6 Ų | 49.6 | 51% | 0.514 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 124.7 | 166.4 | -56.5 | -168 | 139.2 | 0 | 0 | 108.5 | R237 V246 | R237-E249 HydrophobicContact CG-CB 4.41Å; R237-E249 HydrophobicContact CG-CG 4.06Å; R237-E249 IonicContact CZ-OE1 3.64Å; R237-E249 IonicContact NE-OE1 2.98Å; R237-E249 PolarHBondContact NE-OE1 3.24Å; R237-E249 IonicContact NH2-OE1 3.92Å; V246-E249 HydrophobicContact CG1-CG 3.66Å |
| 250 | V | 98 | Very high | 96.7 | Very high | 29 Ų | 29 | 49.3 Ų | 49.3 | 18% | 0.176 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 122 | -174.1 | -175 | 0 | 0 | 0 | 0 | 109.3 | Q235 I236 A252 W281 I294 | Q235-V250 CarbonylContact C-O 3.54Å; Q235-V250 VanDerWaalsContact CA-O 3.23Å; Q235-V250 WeakPolarHBondContact CA-O 3.48Å; I236-V250 HydrophobicContact CB-CB 4.49Å; I236-V250 PolarHBondContact N-O 2.81Å; I236-V250 PolarHBondContact O-N 3.31Å; V250-A252 HydrophobicContact CG1-CB 4.19Å; V250-A252 PolarHBondContact O-N 2.99Å; V250-W281 HydrophobicContact CG1-CH2 3.83Å; V250-W281 HydrophobicContact CG1-CZ3 3.81Å; V250-I294 HydrophobicContact CG2-CD1 4.34Å; V250-I294 HydrophobicContact CG2-CG2 3.45Å; V250-I294 VanDerWaalsContact CG2-CG2 3.45Å |
| 251 | N | 97.9 | Very high | 96.8 | Very high | 138 Ų | 138 | 49 Ų | 49 | 74% | 0.738 | 26% | 0.264 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 75.6 | 167.2 | -67.2 | -47.5 | 0 | 0 | 0 | 109.3 | Q235 | Q235-N251 VanDerWaalsContact CG-OD1 3.25Å; Q235-N251 WeakPolarHBondContact CG-OD1 3.5Å |
| 252 | A | 98.2 | Very high | 97 | Very high | 3 Ų | 3 | 49.3 Ų | 49.3 | 3% | 0.025 | 27% | 0.266 | C | S | . | . | trans | -76.3 | -38.8 | -168.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | G234 I236 V250 R279 W281 | G234-A252 PolarHBondContact O-N 3.23Å; G234-A252 VanDerWaalsContact O-N 3.17Å; I236-A252 HydrophobicContact CB-CB 4.39Å; I236-A252 HydrophobicContact CD1-CB 3.55Å; I236-A252 HydrophobicContact CG1-CB 3.71Å; V250-A252 HydrophobicContact CG1-CB 4.19Å; V250-A252 PolarHBondContact O-N 2.99Å; A252-R279 WeakPolarHBondContact O-CD 3.38Å; A252-R279 PolarHBondContact O-NE 2.91Å; A252-R279 VanDerWaalsContact O-NE 3.17Å; A252-R279 PolarHBondContact O-NH1 3.47Å; A252-W281 HydrophobicContact CB-CH2 3.94Å; A252-W281 HydrophobicContact CB-CZ2 3.56Å | ||
| 253 | H | 98.4 | Very high | 97.2 | Very high | 13 Ų | 13 | 46.6 Ų | 46.6 | 6% | 0.06 | 25% | 0.249 | C | C | . | . | trans | -134.1 | 157.1 | -175.3 | -69.5 | -96 | 0 | 0 | 0 | 111.2 | G234 R255 I257 S271 A273 D275 L277 R279 | G234-H253 WeakPolarHBondContact CA-O 3.31Å; G234-H253 PolarHBondContact O-N 2.76Å; H253-R255 VanDerWaalsContact C-N 3.32Å; H253-I257 HydrophobicContact CB-CG1 4.29Å; H253-S271 PolarHBondContact NE2-OG 3.36Å; H253-A273 HydrophobicContact CB-CB 3.7Å; H253-A273 VanDerWaalsContact CG-CB 3.43Å; H253-A273 WeakPolarHBondContact ND1-CB 3.29Å; H253-D275 WeakPolarHBondContact CA-OD2 3.41Å; H253-D275 VanDerWaalsContact CB-OD2 3.31Å; H253-D275 WeakPolarHBondContact CB-OD2 3.3Å; H253-D275 IonicContact CE1-OD1 2.75Å; H253-D275 IonicContact CG-OD1 3.43Å; H253-D275 IonicContact CG-OD2 3.78Å; H253-D275 IonicContact ND1-OD1 3.59Å; H253-D275 PolarHBondContact ND1-OD1 3.34Å; H253-D275 IonicContact ND1-OD2 3.45Å; H253-D275 PolarHBondContact ND1-OD2 2.84Å; H253-L277 PolarHBondContact CE1-O 2.91Å; H253-L277 VanDerWaalsContact CE1-O 3.25Å; H253-R279 PolarHBondContact CE1-NH1 2.78Å; H253-R279 PolarHBondContact ND1-NH1 2.83Å | ||
| 254 | A | 97.4 | Very high | 97.2 | Very high | 85 Ų | 85 | 44.3 Ų | 44.3 | 70% | 0.702 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -85.3 | -7.9 | 177 | 0 | 0 | 0 | 0 | 0 | 113.1 | D275 | A254-D275 HydrophobicContact CB-CB 4.4Å; A254-D275 PolarHBondContact N-OD2 3.17Å |
| 255 | R | 96.8 | Very high | 97.1 | Very high | 144 Ų | 144 | 50.3 Ų | 50.3 | 54% | 0.543 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -143.2 | 179.1 | -176.5 | -65.1 | -64.2 | -174.5 | 118.9 | -2.1 | 110.8 | G234 H253 I257 E274 D275 | G234-R255 WeakPolarHBondContact CA-O 3.08Å; H253-R255 VanDerWaalsContact C-N 3.32Å; R255-I257 PolarHBondContact O-N 2.84Å; R255-E274 HydrophobicContact CB-CB 3.9Å; R255-E274 HydrophobicContact CB-CG 4.47Å; R255-D275 HydrophobicContact CB-CB 4.02Å; R255-D275 HydrophobicContact CG-CB 4.06Å |
| 256 | W | 96.8 | Very high | 97.2 | Very high | 76 Ų | 76 | 47.4 Ų | 47.4 | 29% | 0.288 | 25% | 0.245 | S | C | . | . | trans | -53.2 | 125.1 | -176.2 | -150.6 | -43.4 | 0 | 0 | 0 | 112 | Y18 S218 G232 Y258 A273 E274 | Y18-W256 WeakPolarHBondContact OH-CZ2 3.2Å; S218-W256 VanDerWaalsContact CB-NE1 3.34Å; S218-W256 VanDerWaalsContact OG-CD1 3.31Å; S218-W256 PolarHBondContact OG-NE1 3.17Å; S218-W256 VanDerWaalsContact OG-NE1 3.13Å; G232-W256 VanDerWaalsContact CA-CG 3.49Å; G232-W256 VanDerWaalsContact CA-NE1 3.31Å; G232-W256 WeakPolarHBondContact O-CA 3.22Å; W256-Y258 HydrophobicContact CB-CD2 4.26Å; W256-Y258 HydrophobicContact CB-CE2 4.02Å; W256-Y258 HydrophobicContact CG-CE2 4.3Å; W256-Y258 PolarHBondContact O-N 3.26Å; W256-A273 WeakPolarHBondContact O-CA 3.36Å; W256-A273 WeakPolarHBondContact O-CB 3.48Å; W256-E274 PolarHBondContact O-N 2.91Å | ||
| 257 | I | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 117.8 | 171 | -68.1 | 161.9 | 0 | 0 | 0 | 108.6 | S218 Y231 Q235 I236 H253 R255 L260 A272 A273 | S218-I257 WeakPolarHBondContact CB-O 3.15Å; S218-I257 PolarHBondContact OG-O 2.98Å; Y231-I257 PolarHBondContact O-N 2.8Å; Q235-I257 VanDerWaalsContact O-CD1 3.28Å; Q235-I257 WeakPolarHBondContact O-CD1 3.14Å; I236-I257 HydrophobicContact CG1-CD1 3.66Å; H253-I257 HydrophobicContact CB-CG1 4.29Å; R255-I257 PolarHBondContact O-N 2.84Å; I257-L260 HydrophobicContact CG2-CD2 3.95Å; I257-L260 HydrophobicContact CG2-CG 4.14Å; I257-A272 CarbonylContact C-O 3.51Å; I257-A273 HydrophobicContact CG1-CB 4.39Å |
| 258 | Y | 97.5 | Very high | 97.3 | Very high | 23 Ų | 23 | 42.7 Ų | 42.7 | 9% | 0.09 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | -23.3 | 179.7 | -95.3 | -104.4 | 0 | 0 | 0 | 113.1 | Y18 N19 W256 A272 E274 Q306 I307 | Y18-Y258 AromaticContact CD1-CD1 3.6Å; Y18-Y258 HydrophobicContact CD1-CD1 3.6Å; Y18-Y258 AromaticContact CD1-CE1 3.67Å; Y18-Y258 HydrophobicContact CD1-CE1 3.67Å; Y18-Y258 HydrophobicContact CD1-CG 4.13Å; Y18-Y258 HydrophobicContact CE1-CD1 4.16Å; Y18-Y258 AromaticContact CE1-CE1 3.82Å; Y18-Y258 HydrophobicContact CE1-CE1 3.82Å; Y18-Y258 HydrophobicContact CE1-CE2 4.44Å; Y18-Y258 AromaticContact CE1-CZ 3.97Å; N19-Y258 PolarHBondContact N-O 2.77Å; W256-Y258 HydrophobicContact CB-CD2 4.26Å; W256-Y258 HydrophobicContact CB-CE2 4.02Å; W256-Y258 HydrophobicContact CG-CE2 4.3Å; W256-Y258 PolarHBondContact O-N 3.26Å; Y258-A272 PolarHBondContact N-O 3.28Å; Y258-E274 HydrophobicContact CD2-CB 4.23Å; Y258-E274 HydrophobicContact CE2-CB 4.05Å; Y258-Q306 PolarHBondContact OH-NE2 2.95Å; Y258-I307 VanDerWaalsContact CB-O 3.3Å; Y258-I307 WeakPolarHBondContact CB-O 3.34Å |
| 259 | S | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 138.1 | -177.3 | -157.3 | 0 | 0 | 0 | 0 | 112.9 | N19 A272 A310 | N19-S259 WeakPolarHBondContact OD1-CA 3.43Å; N19-S259 PolarHBondContact OD1-OG 2.57Å; S259-A272 PolarHBondContact N-O 3.25Å; S259-A272 PolarHBondContact O-N 2.98Å; S259-A310 PolarHBondContact OG-N 2.98Å; S259-A310 PolarHBondContact OG-O 2.91Å |
| 260 | L | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 150.1 | 163.8 | -65.1 | -179.4 | 0 | 0 | 0 | 110.3 | S219 K221 V228 I236 I257 L269 L270 K311 | S219-L260 PolarHBondContact OG-N 3.18Å; K221-L260 WeakPolarHBondContact CE-O 3.3Å; K221-L260 HydrophobicContact CG-CB 4.09Å; V228-L260 HydrophobicContact CG1-CD1 3.96Å; I236-L260 HydrophobicContact CD1-CD2 4.23Å; I236-L260 HydrophobicContact CG1-CD2 4.41Å; I257-L260 HydrophobicContact CG2-CD2 3.95Å; I257-L260 HydrophobicContact CG2-CG 4.14Å; L260-L269 HydrophobicContact CD2-CD1 4.35Å; L260-L270 VanDerWaalsContact CA-O 3.31Å; L260-L270 WeakPolarHBondContact CA-O 3.25Å; L260-K311 PolarHBondContact O-NZ 2.99Å; L260-K311 VanDerWaalsContact O-NZ 3.13Å |
| 261 | D | 98.8 | Very high | 97.5 | Very high | 24 Ų | 24 | 35 Ų | 35 | 13% | 0.128 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 150.8 | 169.8 | -154.7 | 44.4 | 0 | 0 | 0 | 112 | L269 L270 K311 F312 | D261-L269 CarbonylContact O-C 3.5Å; D261-L269 WeakPolarHBondContact O-CA 3.2Å; D261-L269 WeakPolarHBondContact O-CD1 3.14Å; D261-L270 HydrophobicContact CB-CB 4.2Å; D261-L270 PolarHBondContact N-O 3.3Å; D261-L270 PolarHBondContact O-N 3.24Å; D261-K311 HydrophobicContact CB-CD 3.8Å; D261-K311 WeakPolarHBondContact OD1-CD 3.27Å; D261-K311 IonicContact OD1-NZ 3.76Å; D261-K311 PolarHBondContact OD1-NZ 2.87Å; D261-K311 WeakPolarHBondContact OD2-CA 3.17Å; D261-K311 WeakPolarHBondContact OD2-CD 3.47Å; D261-F312 HydrophobicContact CB-CD2 4.31Å; D261-F312 PolarHBondContact OD2-N 2.86Å |
| 262 | I | 98.5 | Very high | 97.6 | Very high | 9 Ų | 9 | 28.5 Ų | 28.5 | 5% | 0.046 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 131.8 | 178.9 | -64.6 | 177.2 | 0 | 0 | 0 | 108.6 | K221 W223 V228 P264 L268 L269 L283 | K221-I262 HydrophobicContact CB-CD1 3.66Å; K221-I262 HydrophobicContact CB-CG1 4.15Å; K221-I262 HydrophobicContact CG-CD1 4.39Å; K221-I262 HydrophobicContact CG-CG1 4.35Å; W223-I262 HydrophobicContact CB-CD1 3.57Å; W223-I262 HydrophobicContact CB-CG2 4.33Å; W223-I262 HydrophobicContact CG-CD1 4.27Å; W223-I262 HydrophobicContact CG-CG2 4Å; V228-I262 HydrophobicContact CG2-CD1 3.88Å; I262-P264 WeakPolarHBondContact O-CD 3.36Å; I262-L268 CarbonylContact C-O 3.6Å; I262-L268 WeakPolarHBondContact CA-O 3.42Å; I262-L269 HydrophobicContact CD1-CD1 4.33Å; I262-L269 HydrophobicContact CG1-CD1 3.71Å; I262-L283 HydrophobicContact CD1-CD1 4.11Å |
| 263 | A | 97.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 101.4 | 162.9 | 0 | 0 | 0 | 0 | 0 | 107.6 | F265 S266 G267 L268 F312 G315 | A263-F265 VanDerWaalsContact C-N 3.3Å; A263-F265 PolarHBondContact O-N 3.19Å; A263-S266 WeakPolarHBondContact CB-OG 3.32Å; A263-S266 PolarHBondContact O-N 3.33Å; A263-G267 PolarHBondContact O-N 2.8Å; A263-L268 HydrophobicContact CB-CB 4.11Å; A263-L268 PolarHBondContact N-O 3.49Å; A263-F312 HydrophobicContact CB-CB 4.48Å; A263-F312 HydrophobicContact CB-CD1 4.39Å; A263-F312 HydrophobicContact CB-CD2 3.72Å; A263-F312 HydrophobicContact CB-CE2 3.92Å; A263-F312 HydrophobicContact CB-CG 3.96Å; A263-F312 HydrophobicContact CB-CZ 4.37Å; A263-F312 VanDerWaalsContact N-CD2 3.35Å; A263-G315 CarbonylContact C-O 3.58Å; A263-G315 WeakPolarHBondContact CB-O 3.5Å |
| 264 | P | 94.8 | Very high | 97.5 | Very high | 24 Ų | 24 | 30.7 Ų | 30.7 | 16% | 0.156 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -29.2 | -163.8 | 23.3 | -37.8 | 0 | 0 | 0 | 115.2 | C176 W223 I262 | C176-P264 HydrophobicContact CB-CB 4.48Å; C176-P264 WeakPolarHBondContact O-CB 3.41Å; W223-P264 PolarHBondContact NE1-O 3.12Å; I262-P264 WeakPolarHBondContact O-CD 3.36Å |
| 265 | F | 94.2 | Very high | 97.4 | Very high | 144 Ų | 144 | 28.1 Ų | 28.1 | 63% | 0.632 | 13% | 0.128 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -37.8 | -175.7 | -54.1 | -37.4 | 0 | 0 | 0 | 112.2 | A263 G315 | A263-F265 VanDerWaalsContact C-N 3.3Å; A263-F265 PolarHBondContact O-N 3.19Å; F265-G315 WeakPolarHBondContact CB-O 3.37Å; F265-G315 PolarHBondContact N-O 3.25Å |
| 266 | S | 95.4 | Very high | 97.4 | Very high | 35 Ų | 35 | 22.6 Ų | 22.6 | 25% | 0.245 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -14.2 | 179.2 | 59.3 | 0 | 0 | 0 | 0 | 113.9 | A263 L268 H282 D316 | A263-S266 WeakPolarHBondContact CB-OG 3.32Å; A263-S266 PolarHBondContact O-N 3.33Å; S266-L268 PolarHBondContact O-N 3.33Å; S266-L268 WeakPolarHBondContact OG-CG 3.31Å; S266-H282 PolarHBondContact O-CD2 2.83Å; S266-H282 PolarHBondContact O-NE2 2.93Å; S266-D316 WeakPolarHBondContact CB-O 3.32Å; S266-D316 VanDerWaalsContact OG-C 3.23Å; S266-D316 PolarHBondContact OG-O 3.49Å |
| 267 | G | 96.3 | Very high | 97.5 | Very high | 1 Ų | 1 | 20.6 Ų | 20.6 | 1% | 0.01 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.1 | 19 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | A263 L283 | A263-G267 PolarHBondContact O-N 2.8Å; G267-L283 WeakPolarHBondContact O-CB 3.23Å; G267-L283 PolarHBondContact O-N 2.88Å |
| 268 | L | 98.2 | Very high | 97.5 | Very high | 17 Ų | 17 | 20.7 Ų | 20.7 | 9% | 0.089 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 133.4 | 172.7 | -63.7 | 172.9 | 0 | 0 | 0 | 109.9 | I262 A263 S266 V280 W281 H282 F312 | I262-L268 CarbonylContact C-O 3.6Å; I262-L268 WeakPolarHBondContact CA-O 3.42Å; A263-L268 HydrophobicContact CB-CB 4.11Å; A263-L268 PolarHBondContact N-O 3.49Å; S266-L268 PolarHBondContact O-N 3.33Å; S266-L268 WeakPolarHBondContact OG-CG 3.31Å; L268-V280 HydrophobicContact CB-CG1 4.34Å; L268-V280 HydrophobicContact CD2-CG1 4.01Å; L268-W281 CarbonylContact C-O 3.43Å; L268-W281 VanDerWaalsContact CA-O 3.27Å; L268-W281 WeakPolarHBondContact CA-O 3.13Å; L268-W281 WeakPolarHBondContact CD2-O 3.3Å; L268-H282 HydrophobicContact CD2-CB 4.29Å; L268-F312 HydrophobicContact CB-CE1 4.39Å; L268-F312 HydrophobicContact CB-CE2 4.15Å; L268-F312 HydrophobicContact CB-CZ 3.67Å; L268-F312 WeakPolarHBondContact O-CE2 3.28Å |
| 269 | L | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 131.8 | 171.8 | 171.2 | 72.6 | 0 | 0 | 0 | 108.5 | V228 I236 L260 D261 I262 V280 W281 L283 I294 | V228-L269 HydrophobicContact CG1-CD1 3.9Å; V228-L269 HydrophobicContact CG1-CD2 3.81Å; I236-L269 HydrophobicContact CD1-CD2 4.25Å; I236-L269 HydrophobicContact CG2-CD2 4.35Å; L260-L269 HydrophobicContact CD2-CD1 4.35Å; D261-L269 CarbonylContact O-C 3.5Å; D261-L269 WeakPolarHBondContact O-CA 3.2Å; D261-L269 WeakPolarHBondContact O-CD1 3.14Å; I262-L269 HydrophobicContact CD1-CD1 4.33Å; I262-L269 HydrophobicContact CG1-CD1 3.71Å; L269-V280 CarbonylContact O-C 3.53Å; L269-V280 WeakPolarHBondContact O-CA 3.41Å; L269-W281 HydrophobicContact CB-CB 4.18Å; L269-W281 HydrophobicContact CD2-CB 4.46Å; L269-W281 HydrophobicContact CD2-CG 4.37Å; L269-W281 PolarHBondContact N-O 2.58Å; L269-W281 PolarHBondContact O-N 3.24Å; L269-L283 HydrophobicContact CB-CD1 4.05Å; L269-L283 HydrophobicContact CB-CD2 4.47Å; L269-L283 HydrophobicContact CB-CG 4.02Å; L269-L283 HydrophobicContact CD2-CD2 4.26Å; L269-I294 HydrophobicContact CD2-CD1 3.77Å |
| 270 | L | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 132.7 | 170.9 | -166.2 | 65 | 0 | 0 | 0 | 108.5 | L260 D261 V278 R279 V280 A310 F312 F320 | L260-L270 VanDerWaalsContact CA-O 3.31Å; L260-L270 WeakPolarHBondContact CA-O 3.25Å; D261-L270 HydrophobicContact CB-CB 4.2Å; D261-L270 PolarHBondContact N-O 3.3Å; D261-L270 PolarHBondContact O-N 3.24Å; L270-V278 HydrophobicContact CD1-CG1 3.39Å; L270-V278 HydrophobicContact CG-CG1 4.07Å; L270-R279 WeakPolarHBondContact CA-O 3.2Å; L270-V280 HydrophobicContact CD1-CG2 3.72Å; L270-A310 HydrophobicContact CD2-CB 3.68Å; L270-A310 HydrophobicContact CG-CB 4.15Å; L270-F312 HydrophobicContact CB-CD2 4.13Å; L270-F312 HydrophobicContact CB-CE2 3.55Å; L270-F312 HydrophobicContact CB-CZ 3.8Å; L270-F312 HydrophobicContact CD1-CZ 4.38Å; L270-F320 HydrophobicContact CD1-CD1 4.28Å; L270-F320 HydrophobicContact CD1-CD2 4.26Å; L270-F320 HydrophobicContact CD1-CG 4.16Å; L270-F320 HydrophobicContact CD2-CB 3.89Å; L270-F320 HydrophobicContact CD2-CD2 4.23Å; L270-F320 HydrophobicContact CD2-CG 4.16Å |
| 271 | S | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 137.8 | 168.4 | 67.6 | 0 | 0 | 0 | 0 | 110.6 | H253 V278 R279 W281 | H253-S271 PolarHBondContact NE2-OG 3.36Å; S271-V278 CarbonylContact O-C 3.58Å; S271-V278 WeakPolarHBondContact O-CA 3.4Å; S271-R279 PolarHBondContact N-O 2.89Å; S271-R279 PolarHBondContact O-N 3.01Å; S271-W281 PolarHBondContact OG-NE1 2.93Å |
| 272 | A | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 141 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | I257 Y258 S259 V278 I307 A310 | I257-A272 CarbonylContact C-O 3.51Å; Y258-A272 PolarHBondContact N-O 3.28Å; S259-A272 PolarHBondContact N-O 3.25Å; S259-A272 PolarHBondContact O-N 2.98Å; A272-V278 HydrophobicContact CB-CG2 4Å; A272-I307 HydrophobicContact CB-CB 4.41Å; A272-I307 HydrophobicContact CB-CD1 4.34Å; A272-I307 HydrophobicContact CB-CG2 3.64Å; A272-A310 HydrophobicContact CB-CB 3.43Å; A272-A310 VanDerWaalsContact CB-CB 3.43Å |
| 273 | A | 97.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 171.6 | -170.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | H253 W256 I257 D275 S276 L277 | H253-A273 HydrophobicContact CB-CB 3.7Å; H253-A273 VanDerWaalsContact CG-CB 3.43Å; H253-A273 WeakPolarHBondContact ND1-CB 3.29Å; W256-A273 WeakPolarHBondContact O-CA 3.36Å; W256-A273 WeakPolarHBondContact O-CB 3.48Å; I257-A273 HydrophobicContact CG1-CB 4.39Å; A273-D275 WeakPolarHBondContact CB-OD1 3.46Å; A273-D275 PolarHBondContact O-N 3.39Å; A273-S276 PolarHBondContact O-N 2.94Å; A273-L277 PolarHBondContact N-O 2.88Å |
| 274 | E | 96.4 | Very high | 97.4 | Very high | 63 Ų | 63 | 26.6 Ų | 26.6 | 29% | 0.294 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -14.5 | 174.2 | -176.4 | -171.2 | -176.7 | 0 | 0 | 112.8 | R255 W256 Y258 S276 Q306 | R255-E274 HydrophobicContact CB-CB 3.9Å; R255-E274 HydrophobicContact CB-CG 4.47Å; W256-E274 PolarHBondContact O-N 2.91Å; Y258-E274 HydrophobicContact CD2-CB 4.23Å; Y258-E274 HydrophobicContact CE2-CB 4.05Å; E274-S276 PolarHBondContact O-N 2.87Å; E274-S276 VanDerWaalsContact O-N 3.1Å; E274-Q306 HydrophobicContact CB-CG 4.48Å; E274-Q306 HydrophobicContact CG-CG 4.05Å |
| 275 | D | 96.4 | Very high | 97.1 | Very high | 31 Ų | 31 | 27.3 Ų | 27.3 | 17% | 0.166 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | 13.1 | 174.9 | 70.7 | -3.4 | 0 | 0 | 0 | 114.1 | H253 A254 R255 A273 L277 R279 | H253-D275 WeakPolarHBondContact CA-OD2 3.41Å; H253-D275 VanDerWaalsContact CB-OD2 3.31Å; H253-D275 WeakPolarHBondContact CB-OD2 3.3Å; H253-D275 IonicContact CE1-OD1 2.75Å; H253-D275 IonicContact CG-OD1 3.43Å; H253-D275 IonicContact CG-OD2 3.78Å; H253-D275 IonicContact ND1-OD1 3.59Å; H253-D275 PolarHBondContact ND1-OD1 3.34Å; H253-D275 IonicContact ND1-OD2 3.45Å; H253-D275 PolarHBondContact ND1-OD2 2.84Å; A254-D275 HydrophobicContact CB-CB 4.4Å; A254-D275 PolarHBondContact N-OD2 3.17Å; R255-D275 HydrophobicContact CB-CB 4.02Å; R255-D275 HydrophobicContact CG-CB 4.06Å; A273-D275 WeakPolarHBondContact CB-OD1 3.46Å; A273-D275 PolarHBondContact O-N 3.39Å; D275-L277 PolarHBondContact O-N 3.16Å; D275-L277 VanDerWaalsContact O-N 3.15Å; D275-L277 WeakPolarHBondContact OD1-CB 3.35Å; D275-L277 PolarHBondContact OD1-N 2.8Å; D275-L277 VanDerWaalsContact OD1-N 3.15Å; D275-R279 IonicContact OD2-NH1 3.78Å; D275-R279 PolarHBondContact OD2-NH1 3.13Å |
| 276 | S | 96.9 | Very high | 97 | Very high | 27 Ų | 27 | 22.5 Ų | 22.5 | 19% | 0.189 | 12% | 0.12 | C | C | . | . | S | Bend | trans | 64.1 | 8.8 | -178.2 | -50.9 | 0 | 0 | 0 | 0 | 114.8 | A273 E274 V302 T305 | A273-S276 PolarHBondContact O-N 2.94Å; E274-S276 PolarHBondContact O-N 2.87Å; E274-S276 VanDerWaalsContact O-N 3.1Å; S276-V302 WeakPolarHBondContact CB-O 3.21Å; S276-V302 PolarHBondContact O-N 2.87Å; S276-T305 WeakPolarHBondContact CA-O 3.25Å; S276-T305 WeakPolarHBondContact CB-O 3.41Å; S276-T305 PolarHBondContact OG-O 3.05Å; S276-T305 VanDerWaalsContact OG-O 3.04Å |
| 277 | L | 97.9 | Very high | 96.4 | Very high | 35 Ų | 35 | 25.7 Ų | 25.7 | 18% | 0.183 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 138.8 | -179.2 | -63.8 | 166.9 | 0 | 0 | 0 | 111.3 | H253 A273 D275 E300 C301 | H253-L277 PolarHBondContact CE1-O 2.91Å; H253-L277 VanDerWaalsContact CE1-O 3.25Å; A273-L277 PolarHBondContact N-O 2.88Å; D275-L277 PolarHBondContact O-N 3.16Å; D275-L277 VanDerWaalsContact O-N 3.15Å; D275-L277 WeakPolarHBondContact OD1-CB 3.35Å; D275-L277 PolarHBondContact OD1-N 2.8Å; D275-L277 VanDerWaalsContact OD1-N 3.15Å; L277-E300 WeakPolarHBondContact CA-O 3.3Å; L277-C301 HydrophobicContact CD2-CB 3.78Å |
| 278 | V | 98.1 | Very high | 96 | Very high | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.006 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 130.4 | 162.9 | -176.6 | 0 | 0 | 0 | 0 | 107.5 | L270 S271 A272 N299 E300 V302 I307 F320 V322 | L270-V278 HydrophobicContact CD1-CG1 3.39Å; L270-V278 HydrophobicContact CG-CG1 4.07Å; S271-V278 CarbonylContact O-C 3.58Å; S271-V278 WeakPolarHBondContact O-CA 3.4Å; A272-V278 HydrophobicContact CB-CG2 4Å; V278-N299 CarbonylContact O-C 3.59Å; V278-N299 VanDerWaalsContact O-CA 3.3Å; V278-N299 WeakPolarHBondContact O-CA 3.43Å; V278-E300 PolarHBondContact N-O 3.1Å; V278-E300 PolarHBondContact O-N 3.15Å; V278-V302 HydrophobicContact CG2-CG2 4.19Å; V278-I307 HydrophobicContact CG2-CD1 3.53Å; V278-F320 HydrophobicContact CG1-CD2 4.5Å; V278-F320 HydrophobicContact CG1-CE2 3.9Å; V278-F320 HydrophobicContact CG1-CZ 4.26Å; V278-V322 HydrophobicContact CG2-CG1 4.09Å; V278-V322 HydrophobicContact CG2-CG2 3.88Å |
| 279 | R | 98.6 | Very high | 95.5 | Very high | 41 Ų | 41 | 37 Ų | 37 | 16% | 0.155 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 140.9 | 178.5 | -66.5 | -179.4 | 171.9 | 90.8 | -7.5 | 110.1 | A252 H253 L270 S271 D275 W281 Y298 N299 | A252-R279 WeakPolarHBondContact O-CD 3.38Å; A252-R279 PolarHBondContact O-NE 2.91Å; A252-R279 VanDerWaalsContact O-NE 3.17Å; A252-R279 PolarHBondContact O-NH1 3.47Å; H253-R279 PolarHBondContact CE1-NH1 2.78Å; H253-R279 PolarHBondContact ND1-NH1 2.83Å; L270-R279 WeakPolarHBondContact CA-O 3.2Å; S271-R279 PolarHBondContact N-O 2.89Å; S271-R279 PolarHBondContact O-N 3.01Å; D275-R279 IonicContact OD2-NH1 3.78Å; D275-R279 PolarHBondContact OD2-NH1 3.13Å; R279-W281 HydrophobicContact CB-CZ2 3.8Å; R279-W281 VanDerWaalsContact CD-CZ2 3.46Å; R279-W281 HydrophobicContact CG-CZ2 4.28Å; R279-Y298 CarbonylContact C-O 3.52Å; R279-Y298 WeakPolarHBondContact CA-O 3.44Å; R279-N299 HydrophobicContact CG-CB 3.96Å |
| 280 | V | 98.6 | Very high | 94.8 | Very high | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.012 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 129.4 | 173.3 | -177.8 | 0 | 0 | 0 | 0 | 107.9 | Y2 L268 L269 L270 M297 Y298 F312 F320 | Y2-V280 HydrophobicContact CD2-CG2 4.34Å; Y2-V280 HydrophobicContact CE2-CB 4.4Å; Y2-V280 HydrophobicContact CE2-CG1 4.24Å; Y2-V280 HydrophobicContact CE2-CG2 3.85Å; L268-V280 HydrophobicContact CB-CG1 4.34Å; L268-V280 HydrophobicContact CD2-CG1 4.01Å; L269-V280 CarbonylContact O-C 3.53Å; L269-V280 WeakPolarHBondContact O-CA 3.41Å; L270-V280 HydrophobicContact CD1-CG2 3.72Å; V280-M297 WeakPolarHBondContact O-CB 3.31Å; V280-M297 PolarHBondContact O-N 3.22Å; V280-Y298 HydrophobicContact CG2-CD1 4.07Å; V280-Y298 PolarHBondContact N-O 2.88Å; V280-Y298 PolarHBondContact O-N 3.37Å; V280-Y298 VanDerWaalsContact O-N 3.16Å; V280-F312 HydrophobicContact CG1-CZ 4.41Å; V280-F320 HydrophobicContact CG2-CE1 4.16Å |
| 281 | W | 98.7 | Very high | 94.3 | Very high | 17 Ų | 17 | 42.1 Ų | 42.1 | 6% | 0.064 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 160.3 | 178.8 | -40.5 | 79.4 | 0 | 0 | 0 | 109.4 | I236 V250 A252 L268 L269 S271 R279 I294 V295 H296 | I236-W281 HydrophobicContact CD1-CZ2 4.43Å; V250-W281 HydrophobicContact CG1-CH2 3.83Å; V250-W281 HydrophobicContact CG1-CZ3 3.81Å; A252-W281 HydrophobicContact CB-CH2 3.94Å; A252-W281 HydrophobicContact CB-CZ2 3.56Å; L268-W281 CarbonylContact C-O 3.43Å; L268-W281 VanDerWaalsContact CA-O 3.27Å; L268-W281 WeakPolarHBondContact CA-O 3.13Å; L268-W281 WeakPolarHBondContact CD2-O 3.3Å; L269-W281 HydrophobicContact CB-CB 4.18Å; L269-W281 HydrophobicContact CD2-CB 4.46Å; L269-W281 HydrophobicContact CD2-CG 4.37Å; L269-W281 PolarHBondContact N-O 2.58Å; L269-W281 PolarHBondContact O-N 3.24Å; S271-W281 PolarHBondContact OG-NE1 2.93Å; R279-W281 HydrophobicContact CB-CZ2 3.8Å; R279-W281 VanDerWaalsContact CD-CZ2 3.46Å; R279-W281 HydrophobicContact CG-CZ2 4.28Å; W281-I294 HydrophobicContact CB-CD1 4.05Å; W281-I294 HydrophobicContact CB-CG1 3.8Å; W281-I294 HydrophobicContact CD2-CD1 4.06Å; W281-I294 HydrophobicContact CD2-CG1 4.24Å; W281-I294 HydrophobicContact CE3-CD1 4.12Å; W281-I294 HydrophobicContact CE3-CG1 3.97Å; W281-I294 HydrophobicContact CG-CD1 4.02Å; W281-I294 HydrophobicContact CG-CG1 4.19Å; W281-V295 CarbonylContact C-O 3.54Å; W281-V295 WeakPolarHBondContact CA-O 3.49Å; W281-V295 WeakPolarHBondContact CB-O 3.42Å; W281-H296 HydrophobicContact CE3-CB 3.69Å; W281-H296 HydrophobicContact CH2-CB 4.4Å; W281-H296 AromaticContact CH2-CD2 3.93Å; W281-H296 HydrophobicContact CZ3-CB 3.58Å; W281-H296 AromaticContact CZ3-CD2 3.91Å |
| 282 | H | 98.1 | Very high | 94.1 | Very high | 65 Ų | 65 | 42.4 Ų | 42.4 | 30% | 0.301 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 123.5 | 170.8 | -174 | -110.4 | 0 | 0 | 0 | 109.2 | S266 L268 T284 V295 M297 | S266-H282 PolarHBondContact O-CD2 2.83Å; S266-H282 PolarHBondContact O-NE2 2.93Å; L268-H282 HydrophobicContact CD2-CB 4.29Å; H282-T284 PolarHBondContact CE1-OG1 2.81Å; H282-T284 PolarHBondContact ND1-OG1 3.43Å; H282-T284 VanDerWaalsContact ND1-OG1 3.15Å; H282-V295 PolarHBondContact N-O 3.32Å; H282-V295 PolarHBondContact O-N 2.85Å; H282-M297 HydrophobicContact CB-CG 3.72Å; H282-M297 HydrophobicContact CB-SD 4Å |
| 283 | L | 97.8 | Very high | 93.9 | Very high | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.01 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 122.4 | 175.5 | -60.3 | 179.1 | 0 | 0 | 0 | 109.1 | W223 V228 L238 I262 G267 L269 V292 E293 I294 | W223-L283 HydrophobicContact CE3-CB 4.18Å; W223-L283 HydrophobicContact CE3-CD1 4.16Å; W223-L283 HydrophobicContact CH2-CB 4.15Å; W223-L283 WeakPolarHBondContact CH2-O 3.43Å; W223-L283 HydrophobicContact CZ3-CB 3.68Å; V228-L283 HydrophobicContact CG2-CD1 4.1Å; L238-L283 HydrophobicContact CD1-CD2 3.97Å; L238-L283 HydrophobicContact CD2-CD2 4.39Å; I262-L283 HydrophobicContact CD1-CD1 4.11Å; G267-L283 WeakPolarHBondContact O-CB 3.23Å; G267-L283 PolarHBondContact O-N 2.88Å; L269-L283 HydrophobicContact CB-CD1 4.05Å; L269-L283 HydrophobicContact CB-CD2 4.47Å; L269-L283 HydrophobicContact CB-CG 4.02Å; L269-L283 HydrophobicContact CD2-CD2 4.26Å; L283-V292 HydrophobicContact CB-CG1 4.44Å; L283-V292 HydrophobicContact CD2-CG1 4.46Å; L283-E293 WeakPolarHBondContact CA-O 3.48Å; L283-I294 HydrophobicContact CD2-CB 3.87Å; L283-I294 HydrophobicContact CD2-CD1 4.04Å; L283-I294 HydrophobicContact CD2-CG1 3.9Å |
| 284 | T | 95.3 | Very high | 94 | Very high | 53 Ų | 53 | 49.3 Ų | 49.3 | 33% | 0.325 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 117.2 | 177.5 | -53.7 | 0 | 0 | 0 | 0 | 109.1 | H282 V292 E293 | H282-T284 PolarHBondContact CE1-OG1 2.81Å; H282-T284 PolarHBondContact ND1-OG1 3.43Å; H282-T284 VanDerWaalsContact ND1-OG1 3.15Å; T284-V292 WeakPolarHBondContact O-CA 3.39Å; T284-E293 PolarHBondContact N-O 3.03Å; T284-E293 PolarHBondContact O-N 2.82Å |
| 285 | M | 89.8 | Confident | 94.1 | Very high | 40 Ų | 40 | 49.6 Ų | 49.6 | 20% | 0.197 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 126 | 173.3 | 175.5 | 64.4 | 89.9 | 0 | 0 | 108.9 | W223 K224 T226 P287 V292 | W223-M285 HydrophobicContact CZ3-CB 4.45Å; K224-M285 WeakPolarHBondContact O-CE 3.36Å; T226-M285 VanDerWaalsContact OG1-CE 3.31Å; T226-M285 WeakPolarHBondContact OG1-CE 3.35Å; M285-P287 WeakPolarHBondContact O-CD 3.29Å; M285-V292 HydrophobicContact CB-CG2 4.26Å; M285-V292 HydrophobicContact CE-CG2 3.27Å; M285-V292 HydrophobicContact CG-CG2 4.47Å; M285-V292 HydrophobicContact SD-CG2 3.46Å; M285-V292 WeakPolarHBondContact SD-CG2 3.26Å |
| 286 | T | 90.8 | Very high | 94.1 | Very high | 43 Ų | 43 | 52.1 Ų | 52.1 | 26% | 0.264 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 105.4 | 173.4 | -59.2 | 0 | 0 | 0 | 0 | 108.8 | E288 T289 N290 S291 | T286-E288 VanDerWaalsContact C-N 3.27Å; T286-E288 VanDerWaalsContact CG2-OE2 3.3Å; T286-E288 WeakPolarHBondContact CG2-OE2 3.47Å; T286-E288 PolarHBondContact O-N 2.96Å; T286-T289 WeakPolarHBondContact CG2-OG1 3.37Å; T286-T289 PolarHBondContact O-N 3.36Å; T286-N290 WeakPolarHBondContact O-CA 3.48Å; T286-N290 PolarHBondContact O-N 3.11Å; T286-S291 PolarHBondContact N-O 2.81Å; T286-S291 PolarHBondContact O-N 2.94Å |
| 287 | P | 84.4 | Confident | 94.2 | Very high | 102 Ų | 102 | 56.3 Ų | 56.3 | 66% | 0.662 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -32.2 | -172.8 | -24.7 | 35.4 | 0 | 0 | 0 | 114.1 | M285 T289 | M285-P287 WeakPolarHBondContact O-CD 3.29Å; P287-T289 VanDerWaalsContact C-N 3.31Å; P287-T289 PolarHBondContact O-N 2.8Å |
| 288 | E | 87.9 | Confident | 94.1 | Very high | 161 Ų | 161 | 56.3 Ų | 56.3 | 75% | 0.752 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -32.7 | -175.7 | -62.7 | 71.8 | -154.1 | 0 | 0 | 112.6 | T286 | T286-E288 VanDerWaalsContact C-N 3.27Å; T286-E288 VanDerWaalsContact CG2-OE2 3.3Å; T286-E288 WeakPolarHBondContact CG2-OE2 3.47Å; T286-E288 PolarHBondContact O-N 2.96Å |
| 289 | T | 86.4 | Confident | 94 | Very high | 94 Ų | 94 | 60.1 Ų | 60.1 | 58% | 0.577 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.6 | -4.1 | -177.2 | 49 | 0 | 0 | 0 | 0 | 112.9 | T286 P287 S291 | T286-T289 WeakPolarHBondContact CG2-OG1 3.37Å; T286-T289 PolarHBondContact O-N 3.36Å; P287-T289 VanDerWaalsContact C-N 3.31Å; P287-T289 PolarHBondContact O-N 2.8Å; T289-S291 PolarHBondContact O-N 2.85Å; T289-S291 PolarHBondContact OG1-OG 2.78Å |
| 290 | N | 83.8 | Confident | 93.9 | Very high | 73 Ų | 73 | 60.8 Ų | 60.8 | 39% | 0.39 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46.6 | 41 | -170.8 | -164.3 | 43.1 | 0 | 0 | 0 | 111.9 | H247 T286 | H247-N290 PolarHBondContact CE1-O 3.21Å; H247-N290 PolarHBondContact NE2-O 3.04Å; T286-N290 WeakPolarHBondContact O-CA 3.48Å; T286-N290 PolarHBondContact O-N 3.11Å |
| 291 | S | 89.2 | Confident | 93.9 | Very high | 35 Ų | 35 | 63.8 Ų | 63.8 | 25% | 0.245 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 141.1 | -178 | 61.2 | 0 | 0 | 0 | 0 | 110.5 | T286 T289 | T286-S291 PolarHBondContact N-O 2.81Å; T286-S291 PolarHBondContact O-N 2.94Å; T289-S291 PolarHBondContact O-N 2.85Å; T289-S291 PolarHBondContact OG1-OG 2.78Å |
| 292 | V | 94.2 | Very high | 93.8 | Very high | 6 Ų | 6 | 63.3 Ų | 63.3 | 4% | 0.036 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 127.5 | 174.5 | -176.3 | 0 | 0 | 0 | 0 | 111.1 | T226 L238 H247 L283 T284 M285 | T226-V292 HydrophobicContact CG2-CB 4.31Å; T226-V292 HydrophobicContact CG2-CG1 4.46Å; T226-V292 HydrophobicContact CG2-CG2 4.01Å; T226-V292 VanDerWaalsContact OG1-CG2 3.22Å; T226-V292 WeakPolarHBondContact OG1-CG2 3.36Å; L238-V292 HydrophobicContact CD1-CB 4.3Å; L238-V292 HydrophobicContact CD1-CG1 3.75Å; H247-V292 HydrophobicContact CB-CB 4.48Å; L283-V292 HydrophobicContact CB-CG1 4.44Å; L283-V292 HydrophobicContact CD2-CG1 4.46Å; T284-V292 WeakPolarHBondContact O-CA 3.39Å; M285-V292 HydrophobicContact CB-CG2 4.26Å; M285-V292 HydrophobicContact CE-CG2 3.27Å; M285-V292 HydrophobicContact CG-CG2 4.47Å; M285-V292 HydrophobicContact SD-CG2 3.46Å; M285-V292 WeakPolarHBondContact SD-CG2 3.26Å |
| 293 | E | 95.6 | Very high | 93.4 | Very high | 116 Ų | 116 | 64.9 Ų | 64.9 | 54% | 0.542 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 148 | 170.6 | -62.8 | -176.3 | 173.4 | 0 | 0 | 110.5 | L283 T284 | L283-E293 WeakPolarHBondContact CA-O 3.48Å; T284-E293 PolarHBondContact N-O 3.03Å; T284-E293 PolarHBondContact O-N 2.82Å |
| 294 | I | 98.3 | Very high | 93.1 | Very high | 29 Ų | 29 | 72.8 Ų | 72.8 | 15% | 0.149 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 123.3 | 176.1 | -179.9 | 169.7 | 0 | 0 | 0 | 109.4 | I236 L238 A248 V250 L269 W281 L283 | I236-I294 HydrophobicContact CG2-CD1 4.32Å; L238-I294 HydrophobicContact CD1-CB 3.95Å; L238-I294 HydrophobicContact CD1-CG2 4.02Å; A248-I294 HydrophobicContact CB-CG2 3.88Å; V250-I294 HydrophobicContact CG2-CD1 4.34Å; V250-I294 HydrophobicContact CG2-CG2 3.45Å; V250-I294 VanDerWaalsContact CG2-CG2 3.45Å; L269-I294 HydrophobicContact CD2-CD1 3.77Å; W281-I294 HydrophobicContact CB-CD1 4.05Å; W281-I294 HydrophobicContact CB-CG1 3.8Å; W281-I294 HydrophobicContact CD2-CD1 4.06Å; W281-I294 HydrophobicContact CD2-CG1 4.24Å; W281-I294 HydrophobicContact CE3-CD1 4.12Å; W281-I294 HydrophobicContact CE3-CG1 3.97Å; W281-I294 HydrophobicContact CG-CD1 4.02Å; W281-I294 HydrophobicContact CG-CG1 4.19Å; L283-I294 HydrophobicContact CD2-CB 3.87Å; L283-I294 HydrophobicContact CD2-CD1 4.04Å; L283-I294 HydrophobicContact CD2-CG1 3.9Å |
| 295 | V | 98.3 | Very high | 93.1 | Very high | 69 Ų | 69 | 71.1 Ų | 71.1 | 42% | 0.418 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 129 | -177.5 | -179.3 | 0 | 0 | 0 | 0 | 109.8 | W281 H282 M297 | W281-V295 CarbonylContact C-O 3.54Å; W281-V295 WeakPolarHBondContact CA-O 3.49Å; W281-V295 WeakPolarHBondContact CB-O 3.42Å; H282-V295 PolarHBondContact N-O 3.32Å; H282-V295 PolarHBondContact O-N 2.85Å; V295-M297 HydrophobicContact CG1-SD 4.08Å; V295-M297 PolarHBondContact O-N 2.81Å |
| 296 | H | 98.2 | Very high | 93.3 | Very high | 84 Ų | 84 | 71.9 Ų | 71.9 | 39% | 0.389 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 126.5 | 173.9 | 179.6 | -97.8 | 0 | 0 | 0 | 110.7 | W281 Y298 | W281-H296 HydrophobicContact CE3-CB 3.69Å; W281-H296 HydrophobicContact CH2-CB 4.4Å; W281-H296 AromaticContact CH2-CD2 3.93Å; W281-H296 HydrophobicContact CZ3-CB 3.58Å; W281-H296 AromaticContact CZ3-CD2 3.91Å; H296-Y298 PolarHBondContact NE2-O 2.77Å |
| 297 | M | 97.5 | Very high | 93.6 | Very high | 115 Ų | 115 | 69.8 Ų | 69.8 | 57% | 0.567 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.5 | -40.1 | -177 | -61.1 | -57.4 | -66.8 | 0 | 0 | 112.8 | V280 H282 V295 | V280-M297 WeakPolarHBondContact O-CB 3.31Å; V280-M297 PolarHBondContact O-N 3.22Å; H282-M297 HydrophobicContact CB-CG 3.72Å; H282-M297 HydrophobicContact CB-SD 4Å; V295-M297 HydrophobicContact CG1-SD 4.08Å; V295-M297 PolarHBondContact O-N 2.81Å |
| 298 | Y | 96.9 | Very high | 94.2 | Very high | 34 Ų | 34 | 65 Ų | 65 | 13% | 0.133 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.5 | 151 | -172.5 | 172.2 | -99.2 | 0 | 0 | 0 | 111 | M1 Y2 R279 V280 H296 E300 F320 | M1-Y298 HydrophobicContact CG-CD2 4.28Å; M1-Y298 HydrophobicContact CG-CE2 4.01Å; Y2-Y298 AromaticContact CD2-CD1 3.67Å; Y2-Y298 HydrophobicContact CD2-CD1 3.67Å; Y2-Y298 AromaticContact CD2-CE1 3.95Å; Y2-Y298 HydrophobicContact CD2-CE1 3.95Å; Y2-Y298 HydrophobicContact CD2-CG 4.11Å; Y2-Y298 HydrophobicContact CE2-CD1 4.47Å; Y2-Y298 HydrophobicContact CG-CD1 4.41Å; Y2-Y298 HydrophobicContact CG-CE1 4.24Å; Y2-Y298 PolarHBondContact O-OH 3.15Å; R279-Y298 CarbonylContact C-O 3.52Å; R279-Y298 WeakPolarHBondContact CA-O 3.44Å; V280-Y298 HydrophobicContact CG2-CD1 4.07Å; V280-Y298 PolarHBondContact N-O 2.88Å; V280-Y298 PolarHBondContact O-N 3.37Å; V280-Y298 VanDerWaalsContact O-N 3.16Å; H296-Y298 PolarHBondContact NE2-O 2.77Å; Y298-E300 HydrophobicContact CE1-CB 3.75Å; Y298-E300 PolarHBondContact OH-OE2 3.3Å; Y298-F320 HydrophobicContact CE1-CZ 4.45Å |
| 299 | N | 96.4 | Very high | 94.6 | Very high | 81 Ų | 81 | 57.3 Ų | 57.3 | 43% | 0.433 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 151.9 | 170.1 | 69.3 | 174.2 | 0 | 0 | 0 | 110.8 | V278 R279 | V278-N299 CarbonylContact O-C 3.59Å; V278-N299 VanDerWaalsContact O-CA 3.3Å; V278-N299 WeakPolarHBondContact O-CA 3.43Å; R279-N299 HydrophobicContact CG-CB 3.96Å |
| 300 | E | 96.9 | Very high | 95.2 | Very high | 55 Ų | 55 | 52.8 Ų | 52.8 | 26% | 0.257 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 138.5 | 173.5 | -175.1 | 63.6 | -166.7 | 0 | 0 | 109.8 | L277 V278 Y298 Y333 | L277-E300 WeakPolarHBondContact CA-O 3.3Å; V278-E300 PolarHBondContact N-O 3.1Å; V278-E300 PolarHBondContact O-N 3.15Å; Y298-E300 HydrophobicContact CE1-CB 3.75Å; Y298-E300 PolarHBondContact OH-OE2 3.3Å; E300-Y333 HydrophobicContact CG-CD1 4.3Å; E300-Y333 HydrophobicContact CG-CE1 3.47Å; E300-Y333 VanDerWaalsContact CG-CE1 3.47Å |
| 301 | C | 97.2 | Very high | 95.9 | Very high | 65 Ų | 65 | 50.6 Ų | 50.6 | 44% | 0.439 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 113.5 | 174.3 | -175 | 0 | 0 | 0 | 0 | 110 | L277 T303 | L277-C301 HydrophobicContact CD2-CB 3.78Å; C301-T303 PolarHBondContact O-N 3.04Å |
| 302 | V | 95.9 | Very high | 96.4 | Very high | 7 Ų | 7 | 49.3 Ų | 49.3 | 4% | 0.042 | 26% | 0.259 | C | S | . | . | trans | -85.8 | 85.4 | 169.9 | -169.9 | 0 | 0 | 0 | 0 | 107.4 | S276 V278 D304 T305 I307 V322 I331 | S276-V302 WeakPolarHBondContact CB-O 3.21Å; S276-V302 PolarHBondContact O-N 2.87Å; V278-V302 HydrophobicContact CG2-CG2 4.19Å; V302-D304 PolarHBondContact O-N 2.82Å; V302-T305 HydrophobicContact CG1-CG2 4.03Å; V302-T305 WeakPolarHBondContact O-CB 3.42Å; V302-T305 PolarHBondContact O-N 2.89Å; V302-I307 HydrophobicContact CB-CD1 4.42Å; V302-I307 HydrophobicContact CB-CG1 4.48Å; V302-I307 HydrophobicContact CG2-CD1 4.24Å; V302-V322 HydrophobicContact CG2-CG1 4.3Å; V302-I331 HydrophobicContact CG1-CD1 3.41Å; V302-I331 VanDerWaalsContact CG1-CD1 3.41Å | ||
| 303 | T | 91.6 | Very high | 96.4 | Very high | 99 Ų | 99 | 49.3 Ų | 49.3 | 61% | 0.607 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.7 | 139.3 | -171.4 | 51.7 | 0 | 0 | 0 | 0 | 112.8 | C301 T305 | C301-T303 PolarHBondContact O-N 3.04Å; T303-T305 PolarHBondContact O-N 2.86Å; T303-T305 VanDerWaalsContact O-N 3.12Å; T303-T305 PolarHBondContact O-OG1 2.81Å |
| 304 | D | 90.4 | Very high | 96.4 | Very high | 167 Ų | 167 | 44.6 Ų | 44.6 | 89% | 0.893 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.3 | 27.5 | 175.2 | -52.2 | -42.9 | 0 | 0 | 0 | 114.7 | V302 | V302-D304 PolarHBondContact O-N 2.82Š|
| 305 | T | 94.8 | Very high | 96.1 | Very high | 18 Ų | 18 | 44 Ų | 44 | 11% | 0.11 | 24% | 0.239 | C | C | . | . | trans | -129.3 | 119.2 | -174.8 | -56.6 | 0 | 0 | 0 | 0 | 111.9 | S276 V302 T303 I307 G324 L327 | S276-T305 WeakPolarHBondContact CA-O 3.25Å; S276-T305 WeakPolarHBondContact CB-O 3.41Å; S276-T305 PolarHBondContact OG-O 3.05Å; S276-T305 VanDerWaalsContact OG-O 3.04Å; V302-T305 HydrophobicContact CG1-CG2 4.03Å; V302-T305 WeakPolarHBondContact O-CB 3.42Å; V302-T305 PolarHBondContact O-N 2.89Å; T303-T305 PolarHBondContact O-N 2.86Å; T303-T305 VanDerWaalsContact O-N 3.12Å; T303-T305 PolarHBondContact O-OG1 2.81Å; T305-I307 PolarHBondContact O-N 3.08Å; T305-G324 VanDerWaalsContact CG2-CA 3.42Å; T305-L327 HydrophobicContact CG2-CD2 4.37Å | ||
| 306 | Q | 95 | Very high | 96 | Very high | 56 Ų | 56 | 45.3 Ų | 45.3 | 26% | 0.262 | 24% | 0.243 | S | C | . | . | trans | -72.8 | 112.3 | 163.6 | 173.7 | 174.4 | 6.9 | 0 | 0 | 108.9 | Y258 E274 G324 Y325 | Y258-Q306 PolarHBondContact OH-NE2 2.95Å; E274-Q306 HydrophobicContact CB-CG 4.48Å; E274-Q306 HydrophobicContact CG-CG 4.05Å; Q306-G324 CarbonylContact O-C 3.59Å; Q306-G324 VanDerWaalsContact O-CA 3.31Å; Q306-G324 WeakPolarHBondContact O-CA 3.37Å; Q306-Y325 PolarHBondContact O-N 3.42Å | ||
| 307 | I | 97.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 132.7 | -176.7 | -60.1 | 159.7 | 0 | 0 | 0 | 110.3 | Y258 A272 V278 V302 T305 V322 | Y258-I307 VanDerWaalsContact CB-O 3.3Å; Y258-I307 WeakPolarHBondContact CB-O 3.34Å; A272-I307 HydrophobicContact CB-CB 4.41Å; A272-I307 HydrophobicContact CB-CD1 4.34Å; A272-I307 HydrophobicContact CB-CG2 3.64Å; V278-I307 HydrophobicContact CG2-CD1 3.53Å; V302-I307 HydrophobicContact CB-CD1 4.42Å; V302-I307 HydrophobicContact CB-CG1 4.48Å; V302-I307 HydrophobicContact CG2-CD1 4.24Å; T305-I307 PolarHBondContact O-N 3.08Å; I307-V322 HydrophobicContact CB-CG1 4.46Å; I307-V322 HydrophobicContact CD1-CG1 4.43Å; I307-V322 HydrophobicContact CG1-CG1 4.07Å; I307-V322 HydrophobicContact CG2-CG1 3.59Å |
| 308 | C | 96.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | -25.8 | 178.6 | -59 | 0 | 0 | 0 | 0 | 113.1 | S15 N19 N20 T323 Y325 | S15-C308 PolarHBondContact O-SG 2.82Å; N19-C308 PolarHBondContact N-O 3.19Å; N20-C308 HydrophobicContact CB-CB 3.85Å; N20-C308 PolarHBondContact N-O 3.15Å; C308-T323 PolarHBondContact N-O 3.12Å; C308-Y325 VanDerWaalsContact SG-CA 3.55Å; C308-Y325 PolarHBondContact SG-N 2.82Å |
| 309 | G | 97.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 141.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | V322 T323 | G309-V322 CarbonylContact O-C 3.57Å; G309-V322 WeakPolarHBondContact O-CA 3.47Å; G309-T323 WeakPolarHBondContact CA-OG1 3.29Å; G309-T323 PolarHBondContact N-O 2.91Å; G309-T323 PolarHBondContact N-OG1 3.43Å; G309-T323 PolarHBondContact O-N 3.33Å; G309-T323 PolarHBondContact O-OG1 3.36Å |
| 310 | A | 98.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 130.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | S259 L270 A272 A321 | S259-A310 PolarHBondContact OG-N 2.98Å; S259-A310 PolarHBondContact OG-O 2.91Å; L270-A310 HydrophobicContact CD2-CB 3.68Å; L270-A310 HydrophobicContact CG-CB 4.15Å; A272-A310 HydrophobicContact CB-CB 3.43Å; A272-A310 VanDerWaalsContact CB-CB 3.43Å; A310-A321 VanDerWaalsContact CA-O 3.3Å; A310-A321 WeakPolarHBondContact CA-O 3.26Å |
| 311 | K | 98.6 | Very high | 95.8 | Very high | 26 Ų | 26 | 34.3 Ų | 34.3 | 11% | 0.113 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 140.3 | -177.5 | -71 | -61.4 | -179.1 | -167.4 | 0 | 111.2 | L21 V23 L260 D261 F320 A321 | L21-K311 HydrophobicContact CB-CG 4.2Å; L21-K311 HydrophobicContact CD2-CB 4.07Å; L21-K311 HydrophobicContact CD2-CG 4.27Å; L21-K311 HydrophobicContact CG-CB 4.2Å; L21-K311 HydrophobicContact CG-CG 3.98Å; L21-K311 WeakPolarHBondContact O-CE 3.42Å; L21-K311 WeakPolarHBondContact O-CG 3.4Å; V23-K311 HydrophobicContact CB-CB 4.44Å; V23-K311 HydrophobicContact CG2-CB 3.54Å; V23-K311 HydrophobicContact CG2-CG 4.14Å; L260-K311 PolarHBondContact O-NZ 2.99Å; L260-K311 VanDerWaalsContact O-NZ 3.13Å; D261-K311 HydrophobicContact CB-CD 3.8Å; D261-K311 WeakPolarHBondContact OD1-CD 3.27Å; D261-K311 IonicContact OD1-NZ 3.76Å; D261-K311 PolarHBondContact OD1-NZ 2.87Å; D261-K311 WeakPolarHBondContact OD2-CA 3.17Å; D261-K311 WeakPolarHBondContact OD2-CD 3.47Å; K311-F320 CarbonylContact O-C 3.51Å; K311-F320 VanDerWaalsContact O-CA 3.23Å; K311-F320 WeakPolarHBondContact O-CA 3.45Å; K311-F320 VanDerWaalsContact O-CB 3.3Å; K311-F320 WeakPolarHBondContact O-CB 3.49Å; K311-A321 PolarHBondContact N-O 3.12Å; K311-A321 PolarHBondContact O-N 3.34Å |
| 312 | F | 98.1 | Very high | 95.9 | Very high | 9 Ų | 9 | 31.3 Ų | 31.3 | 4% | 0.039 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 144.4 | 162.9 | -69.6 | -69.9 | 0 | 0 | 0 | 109.4 | D261 A263 L268 L270 V280 D314 G317 A319 F320 | D261-F312 HydrophobicContact CB-CD2 4.31Å; D261-F312 PolarHBondContact OD2-N 2.86Å; A263-F312 HydrophobicContact CB-CB 4.48Å; A263-F312 HydrophobicContact CB-CD1 4.39Å; A263-F312 HydrophobicContact CB-CD2 3.72Å; A263-F312 HydrophobicContact CB-CE2 3.92Å; A263-F312 HydrophobicContact CB-CG 3.96Å; A263-F312 HydrophobicContact CB-CZ 4.37Å; A263-F312 VanDerWaalsContact N-CD2 3.35Å; L268-F312 HydrophobicContact CB-CE1 4.39Å; L268-F312 HydrophobicContact CB-CE2 4.15Å; L268-F312 HydrophobicContact CB-CZ 3.67Å; L268-F312 WeakPolarHBondContact O-CE2 3.28Å; L270-F312 HydrophobicContact CB-CD2 4.13Å; L270-F312 HydrophobicContact CB-CE2 3.55Å; L270-F312 HydrophobicContact CB-CZ 3.8Å; L270-F312 HydrophobicContact CD1-CZ 4.38Å; V280-F312 HydrophobicContact CG1-CZ 4.41Å; F312-D314 VanDerWaalsContact C-N 3.27Å; F312-G317 VanDerWaalsContact CD1-CA 3.46Å; F312-A319 CarbonylContact C-O 3.59Å; F312-A319 WeakPolarHBondContact CA-O 3.4Å; F312-F320 HydrophobicContact CD1-CB 3.86Å; F312-F320 HydrophobicContact CE1-CB 4.34Å; F312-F320 HydrophobicContact CE1-CD1 4.47Å |
| 313 | C | 96.1 | Very high | 96 | Very high | 6 Ų | 6 | 31 Ų | 31 | 4% | 0.041 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -87.1 | -4.1 | 176.7 | -63.3 | 0 | 0 | 0 | 0 | 112 | R25 A319 | R25-C313 WeakPolarHBondContact CD-O 3.21Å; C313-A319 HydrophobicContact CB-CB 3.92Å; C313-A319 PolarHBondContact N-O 3.39Å |
| 314 | D | 93.9 | Very high | 96.3 | Very high | 16 Ų | 16 | 26.3 Ų | 26.3 | 9% | 0.086 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -161.7 | 163.8 | -171.4 | 69 | 87.8 | 0 | 0 | 0 | 113.3 | F312 D316 G317 Y318 A319 | F312-D314 VanDerWaalsContact C-N 3.27Å; D314-D316 VanDerWaalsContact C-N 3.29Å; D314-D316 PolarHBondContact O-N 2.78Å; D314-D316 WeakPolarHBondContact OD1-CA 3.24Å; D314-D316 WeakPolarHBondContact OD1-CB 3.36Å; D314-D316 PolarHBondContact OD1-N 2.83Å; D314-G317 PolarHBondContact O-N 2.99Å; D314-G317 PolarHBondContact OD1-N 3.36Å; D314-Y318 PolarHBondContact OD1-N 3.45Å; D314-Y318 WeakPolarHBondContact OD2-CB 3.48Å; D314-Y318 PolarHBondContact OD2-N 2.8Å; D314-Y318 VanDerWaalsContact OD2-N 3.11Å; D314-A319 PolarHBondContact OD2-N 3.3Å |
| 315 | G | 93.8 | Very high | 96.6 | Very high | 18 Ų | 18 | 23.3 Ų | 23.3 | 19% | 0.186 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73 | -18.2 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | A263 F265 | A263-G315 CarbonylContact C-O 3.58Å; A263-G315 WeakPolarHBondContact CB-O 3.5Å; F265-G315 WeakPolarHBondContact CB-O 3.37Å; F265-G315 PolarHBondContact N-O 3.25Å |
| 316 | D | 94.8 | Very high | 96.7 | Very high | 96 Ų | 96 | 27.2 Ų | 27.2 | 51% | 0.513 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | -13.3 | -179.7 | -58.2 | -66.2 | 0 | 0 | 0 | 111.8 | S266 D314 | S266-D316 WeakPolarHBondContact CB-O 3.32Å; S266-D316 VanDerWaalsContact OG-C 3.23Å; S266-D316 PolarHBondContact OG-O 3.49Å; D314-D316 VanDerWaalsContact C-N 3.29Å; D314-D316 PolarHBondContact O-N 2.78Å; D314-D316 WeakPolarHBondContact OD1-CA 3.24Å; D314-D316 WeakPolarHBondContact OD1-CB 3.36Å; D314-D316 PolarHBondContact OD1-N 2.83Å |
| 317 | G | 95.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 13% | 0.129 | C | C | . | . | trans | 74.6 | 25 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y2 F312 D314 A319 Q335 | Y2-G317 WeakPolarHBondContact CE1-O 3.37Å; Y2-G317 PolarHBondContact OH-O 3.07Å; F312-G317 VanDerWaalsContact CD1-CA 3.46Å; D314-G317 PolarHBondContact O-N 2.99Å; D314-G317 PolarHBondContact OD1-N 3.36Å; G317-A319 PolarHBondContact O-N 2.82Å; G317-Q335 PolarHBondContact O-NE2 3.14Å | ||
| 318 | Y | 95.4 | Very high | 96.7 | Very high | 133 Ų | 133 | 28.8 Ų | 28.8 | 52% | 0.522 | 15% | 0.145 | S | C | . | . | S | Bend | trans | -61.2 | -35 | 176.6 | -179.8 | -94.7 | 0 | 0 | 0 | 112 | D314 T334 Q335 | D314-Y318 PolarHBondContact OD1-N 3.45Å; D314-Y318 WeakPolarHBondContact OD2-CB 3.48Å; D314-Y318 PolarHBondContact OD2-N 2.8Å; D314-Y318 VanDerWaalsContact OD2-N 3.11Å; Y318-T334 HydrophobicContact CE1-CG2 4.18Å; Y318-T334 CarbonylContact O-C 3.54Å; Y318-T334 WeakPolarHBondContact O-CA 3.05Å; Y318-Q335 HydrophobicContact CD2-CB 4.14Å; Y318-Q335 HydrophobicContact CE2-CB 4.29Å; Y318-Q335 PolarHBondContact O-N 3.22Å; Y318-Q335 PolarHBondContact OH-O 2.8Å |
| 319 | A | 95.8 | Very high | 96.7 | Very high | 5 Ų | 5 | 30.6 Ų | 30.6 | 4% | 0.041 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 150.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | F312 C313 D314 G317 Y333 T334 | F312-A319 CarbonylContact C-O 3.59Å; F312-A319 WeakPolarHBondContact CA-O 3.4Å; C313-A319 HydrophobicContact CB-CB 3.92Å; C313-A319 PolarHBondContact N-O 3.39Å; D314-A319 PolarHBondContact OD2-N 3.3Å; G317-A319 PolarHBondContact O-N 2.82Å; A319-Y333 CarbonylContact C-O 3.58Å; A319-Y333 WeakPolarHBondContact CA-O 3.07Å; A319-T334 HydrophobicContact CB-CG2 3.71Å |
| 320 | F | 97.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 161.4 | 166.7 | 69 | -98.8 | 0 | 0 | 0 | 111.4 | Y2 L270 V278 V280 Y298 K311 F312 V322 Y333 | Y2-F320 AromaticContact CD1-CD1 3.57Å; Y2-F320 HydrophobicContact CD1-CD1 3.57Å; Y2-F320 AromaticContact CD1-CE1 3.39Å; Y2-F320 HydrophobicContact CD1-CE1 3.39Å; Y2-F320 AromaticContact CD2-CE1 3.87Å; Y2-F320 HydrophobicContact CD2-CE1 3.87Å; Y2-F320 AromaticContact CE1-CD1 3.46Å; Y2-F320 HydrophobicContact CE1-CD1 3.46Å; Y2-F320 VanDerWaalsContact CE1-CD1 3.46Å; Y2-F320 AromaticContact CE1-CE1 3.7Å; Y2-F320 HydrophobicContact CE1-CE1 3.7Å; Y2-F320 HydrophobicContact CE2-CD1 4.47Å; Y2-F320 HydrophobicContact CE2-CE1 4.15Å; Y2-F320 HydrophobicContact CG-CD1 4.13Å; Y2-F320 AromaticContact CG-CE1 3.48Å; Y2-F320 HydrophobicContact CG-CE1 3.48Å; Y2-F320 VanDerWaalsContact CG-CE1 3.48Å; Y2-F320 HydrophobicContact CG-CZ 4.43Å; Y2-F320 AromaticContact CZ-CD1 3.94Å; L270-F320 HydrophobicContact CD1-CD1 4.28Å; L270-F320 HydrophobicContact CD1-CD2 4.26Å; L270-F320 HydrophobicContact CD1-CG 4.16Å; L270-F320 HydrophobicContact CD2-CB 3.89Å; L270-F320 HydrophobicContact CD2-CD2 4.23Å; L270-F320 HydrophobicContact CD2-CG 4.16Å; V278-F320 HydrophobicContact CG1-CD2 4.5Å; V278-F320 HydrophobicContact CG1-CE2 3.9Å; V278-F320 HydrophobicContact CG1-CZ 4.26Å; V280-F320 HydrophobicContact CG2-CE1 4.16Å; Y298-F320 HydrophobicContact CE1-CZ 4.45Å; K311-F320 CarbonylContact O-C 3.51Å; K311-F320 VanDerWaalsContact O-CA 3.23Å; K311-F320 WeakPolarHBondContact O-CA 3.45Å; K311-F320 VanDerWaalsContact O-CB 3.3Å; K311-F320 WeakPolarHBondContact O-CB 3.49Å; F312-F320 HydrophobicContact CD1-CB 3.86Å; F312-F320 HydrophobicContact CE1-CB 4.34Å; F312-F320 HydrophobicContact CE1-CD1 4.47Å; F320-V322 HydrophobicContact CD2-CG2 3.79Å; F320-V322 HydrophobicContact CE2-CG2 3.71Å; F320-Y333 AromaticContact CD2-CD2 3.88Å; F320-Y333 HydrophobicContact CD2-CD2 3.88Å; F320-Y333 HydrophobicContact CD2-CG 4.33Å; F320-Y333 HydrophobicContact CE1-CG 4.29Å; F320-Y333 AromaticContact CE2-CD2 3.23Å; F320-Y333 HydrophobicContact CE2-CD2 3.23Å; F320-Y333 AromaticContact CE2-CE2 3.96Å; F320-Y333 HydrophobicContact CE2-CE2 3.96Å; F320-Y333 AromaticContact CE2-CG 3.59Å; F320-Y333 HydrophobicContact CE2-CG 3.59Å; F320-Y333 VanDerWaalsContact CZ-CB 3.48Å; F320-Y333 HydrophobicContact CZ-CD1 4.24Å; F320-Y333 AromaticContact CZ-CD2 3.73Å; F320-Y333 HydrophobicContact CZ-CD2 3.73Å; F320-Y333 AromaticContact CZ-CG 3.56Å; F320-Y333 HydrophobicContact CZ-CG 3.56Å; F320-Y333 PolarHBondContact N-O 3.23Å; F320-Y333 PolarHBondContact O-N 3.17Å |
| 321 | A | 98 | Very high | 96.6 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 151.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | L21 F34 A310 K311 I330 I331 R332 | L21-A321 HydrophobicContact CD2-CB 3.92Å; L21-A321 WeakPolarHBondContact CD2-O 3.22Å; F34-A321 HydrophobicContact CD1-CB 4.35Å; F34-A321 HydrophobicContact CE1-CB 3.74Å; A310-A321 VanDerWaalsContact CA-O 3.3Å; A310-A321 WeakPolarHBondContact CA-O 3.26Å; K311-A321 PolarHBondContact N-O 3.12Å; K311-A321 PolarHBondContact O-N 3.34Å; A321-I330 HydrophobicContact CB-CG2 3.75Å; A321-I331 CarbonylContact C-O 3.49Å; A321-I331 VanDerWaalsContact CA-O 3.26Å; A321-I331 WeakPolarHBondContact CA-O 3.33Å; A321-R332 HydrophobicContact CB-CG 4.23Å |
| 322 | V | 98.4 | Very high | 96.5 | Very high | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.006 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 140.1 | -175.4 | -171.1 | 0 | 0 | 0 | 0 | 109.9 | V278 V302 I307 G309 F320 I331 Y333 | V278-V322 HydrophobicContact CG2-CG1 4.09Å; V278-V322 HydrophobicContact CG2-CG2 3.88Å; V302-V322 HydrophobicContact CG2-CG1 4.3Å; I307-V322 HydrophobicContact CB-CG1 4.46Å; I307-V322 HydrophobicContact CD1-CG1 4.43Å; I307-V322 HydrophobicContact CG1-CG1 4.07Å; I307-V322 HydrophobicContact CG2-CG1 3.59Å; G309-V322 CarbonylContact O-C 3.57Å; G309-V322 WeakPolarHBondContact O-CA 3.47Å; F320-V322 HydrophobicContact CD2-CG2 3.79Å; F320-V322 HydrophobicContact CE2-CG2 3.71Å; V322-I331 PolarHBondContact N-O 3.21Å; V322-I331 PolarHBondContact O-N 2.87Å; V322-Y333 HydrophobicContact CG2-CD2 4.19Å; V322-Y333 HydrophobicContact CG2-CE2 3.99Å |
| 323 | T | 98.4 | Very high | 96.4 | Very high | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.006 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 145.9 | 172.6 | 53.8 | 0 | 0 | 0 | 0 | 110.8 | N20 L21 V36 C308 G309 I330 | N20-T323 PolarHBondContact O-OG1 3.11Å; L21-T323 HydrophobicContact CB-CG2 4.33Å; L21-T323 HydrophobicContact CD1-CG2 3.89Å; L21-T323 HydrophobicContact CD2-CG2 4.32Å; L21-T323 HydrophobicContact CG-CG2 4.41Å; V36-T323 HydrophobicContact CB-CG2 4.49Å; V36-T323 HydrophobicContact CG1-CG2 4.02Å; V36-T323 HydrophobicContact CG2-CG2 3.6Å; C308-T323 PolarHBondContact N-O 3.12Å; G309-T323 WeakPolarHBondContact CA-OG1 3.29Å; G309-T323 PolarHBondContact N-O 2.91Å; G309-T323 PolarHBondContact N-OG1 3.43Å; G309-T323 PolarHBondContact O-N 3.33Å; G309-T323 PolarHBondContact O-OG1 3.36Å; T323-I330 HydrophobicContact CG2-CG1 4.07Å |
| 324 | G | 97.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 148.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | A14 T305 Q306 D326 L327 | A14-G324 VanDerWaalsContact CB-O 3.29Å; A14-G324 WeakPolarHBondContact CB-O 3.18Å; T305-G324 VanDerWaalsContact CG2-CA 3.42Å; Q306-G324 CarbonylContact O-C 3.59Å; Q306-G324 VanDerWaalsContact O-CA 3.31Å; Q306-G324 WeakPolarHBondContact O-CA 3.37Å; G324-D326 PolarHBondContact O-N 2.5Å; G324-L327 VanDerWaalsContact O-CB 3.25Å; G324-L327 WeakPolarHBondContact O-CB 3.3Å; G324-L327 PolarHBondContact O-N 2.83Å |
| 325 | Y | 97.4 | Very high | 96.3 | Very high | 104 Ų | 104 | 32 Ų | 32 | 41% | 0.408 | 16% | 0.16 | S | C | . | . | B | Isolated β-bridge | trans | -57.8 | 133.6 | 173.4 | 179.7 | -121.6 | 0 | 0 | 0 | 110.1 | A14 A16 Q306 C308 L327 | A14-Y325 WeakPolarHBondContact O-CD2 3.4Å; A16-Y325 HydrophobicContact CB-CD2 3.55Å; A16-Y325 HydrophobicContact CB-CE2 3.91Å; A16-Y325 HydrophobicContact CB-CG 4Å; A16-Y325 VanDerWaalsContact N-CD2 3.32Å; Q306-Y325 PolarHBondContact O-N 3.42Å; C308-Y325 VanDerWaalsContact SG-CA 3.55Å; C308-Y325 PolarHBondContact SG-N 2.82Å; Y325-L327 PolarHBondContact O-N 3.12Å |
| 326 | D | 95.8 | Very high | 95.8 | Very high | 100 Ų | 100 | 38.6 Ų | 38.6 | 54% | 0.535 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.9 | 5.4 | -175.1 | -75.5 | -21.7 | 0 | 0 | 0 | 116 | S13 A14 G324 | S13-D326 VanDerWaalsContact CB-CA 3.5Å; S13-D326 WeakPolarHBondContact CB-O 3.18Å; A14-D326 PolarHBondContact O-N 2.88Å; A14-D326 VanDerWaalsContact O-N 3.08Å; G324-D326 PolarHBondContact O-N 2.5Å |
| 327 | L | 96.6 | Very high | 95.8 | Very high | 40 Ų | 40 | 35.7 Ų | 35.7 | 21% | 0.209 | 18% | 0.181 | C | C | . | . | trans | -86.5 | 126.5 | 174.1 | -166 | 65.6 | 0 | 0 | 0 | 110.5 | M10 S13 A14 T305 G324 Y325 E329 I331 | M10-L327 WeakPolarHBondContact CE-O 3.22Å; S13-L327 CarbonylContact C-O 3.5Å; S13-L327 VanDerWaalsContact CA-O 3.29Å; S13-L327 WeakPolarHBondContact CA-O 3.06Å; A14-L327 PolarHBondContact N-O 3.2Å; A14-L327 VanDerWaalsContact N-O 3.12Å; T305-L327 HydrophobicContact CG2-CD2 4.37Å; G324-L327 VanDerWaalsContact O-CB 3.25Å; G324-L327 WeakPolarHBondContact O-CB 3.3Å; G324-L327 PolarHBondContact O-N 2.83Å; Y325-L327 PolarHBondContact O-N 3.12Å; L327-E329 VanDerWaalsContact C-N 3.28Å; L327-E329 HydrophobicContact CD1-CG 3.81Å; L327-E329 HydrophobicContact CD2-CG 3.72Å; L327-E329 HydrophobicContact CG-CG 3.55Å; L327-E329 PolarHBondContact O-N 3.32Å; L327-I331 HydrophobicContact CD2-CD1 3.78Å; L327-I331 HydrophobicContact CD2-CG1 4.09Å | ||
| 328 | S | 96.4 | Very high | 95.8 | Very high | 50 Ų | 50 | 37.6 Ų | 37.6 | 35% | 0.35 | 19% | 0.19 | S | C | . | . | trans | -95.2 | 31.7 | 179 | -59.1 | 0 | 0 | 0 | 0 | 112.5 | M10 S13 | M10-S328 PolarHBondContact N-O 3.49Å; S13-S328 WeakPolarHBondContact CA-OG 3.24Å; S13-S328 PolarHBondContact N-OG 3.37Å | ||
| 329 | E | 96.3 | Very high | 95.9 | Very high | 38 Ų | 38 | 32.3 Ų | 32.3 | 18% | 0.178 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 156 | 175.7 | 60.4 | 170.9 | -153 | 0 | 0 | 111.9 | S7 I8 Q9 L327 I331 | S7-E329 WeakPolarHBondContact CB-OE2 3Å; S7-E329 VanDerWaalsContact OG-CD 3.32Å; S7-E329 PolarHBondContact OG-OE1 3.2Å; S7-E329 VanDerWaalsContact OG-OE1 3.14Å; S7-E329 PolarHBondContact OG-OE2 3.01Å; I8-E329 CarbonylContact O-C 3.59Å; I8-E329 VanDerWaalsContact O-CA 3.24Å; I8-E329 WeakPolarHBondContact O-CA 3.39Å; Q9-E329 PolarHBondContact NE2-OE2 2.61Å; L327-E329 VanDerWaalsContact C-N 3.28Å; L327-E329 HydrophobicContact CD1-CG 3.81Å; L327-E329 HydrophobicContact CD2-CG 3.72Å; L327-E329 HydrophobicContact CG-CG 3.55Å; L327-E329 PolarHBondContact O-N 3.32Å; E329-I331 HydrophobicContact CG-CG1 4.43Å |
| 330 | I | 97.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 116 | 169.7 | -57.7 | 165.4 | 0 | 0 | 0 | 106.4 | S7 I8 M10 F34 V36 V45 A321 T323 | S7-I330 CarbonylContact C-O 3.6Å; S7-I330 WeakPolarHBondContact CA-O 3.24Å; I8-I330 HydrophobicContact CB-CB 4.3Å; I8-I330 PolarHBondContact N-O 3.26Å; I8-I330 PolarHBondContact O-N 3.2Å; M10-I330 HydrophobicContact CE-CG1 4.41Å; M10-I330 HydrophobicContact CG-CD1 4.23Å; M10-I330 HydrophobicContact CG-CG1 4.02Å; M10-I330 HydrophobicContact SD-CD1 4.01Å; M10-I330 HydrophobicContact SD-CG1 3.66Å; F34-I330 HydrophobicContact CB-CD1 3.53Å; F34-I330 HydrophobicContact CD1-CD1 4.39Å; F34-I330 HydrophobicContact CD1-CG2 4.41Å; F34-I330 HydrophobicContact CD2-CD1 4.35Å; F34-I330 HydrophobicContact CG-CD1 3.86Å; V36-I330 HydrophobicContact CG2-CD1 4.07Å; V36-I330 HydrophobicContact CG2-CG1 4.13Å; V45-I330 HydrophobicContact CB-CD1 4.48Å; V45-I330 HydrophobicContact CG2-CD1 4.35Å; A321-I330 HydrophobicContact CB-CG2 3.75Å; T323-I330 HydrophobicContact CG2-CG1 4.07Å |
| 331 | I | 97.3 | Very high | 95.8 | Very high | 4 Ų | 4 | 36 Ų | 36 | 2% | 0.021 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 129.7 | 178.6 | -54 | 173.9 | 0 | 0 | 0 | 107.9 | K4 V302 A321 V322 L327 E329 Y333 | K4-I331 HydrophobicContact CD-CG2 3.99Å; K4-I331 HydrophobicContact CG-CG2 4.11Å; V302-I331 HydrophobicContact CG1-CD1 3.41Å; V302-I331 VanDerWaalsContact CG1-CD1 3.41Å; A321-I331 CarbonylContact C-O 3.49Å; A321-I331 VanDerWaalsContact CA-O 3.26Å; A321-I331 WeakPolarHBondContact CA-O 3.33Å; V322-I331 PolarHBondContact N-O 3.21Å; V322-I331 PolarHBondContact O-N 2.87Å; L327-I331 HydrophobicContact CD2-CD1 3.78Å; L327-I331 HydrophobicContact CD2-CG1 4.09Å; E329-I331 HydrophobicContact CG-CG1 4.43Å; I331-Y333 HydrophobicContact CB-CE2 4.17Å; I331-Y333 HydrophobicContact CG2-CD2 4.19Å; I331-Y333 HydrophobicContact CG2-CE2 3.36Å |
| 332 | R | 95.8 | Very high | 95.6 | Very high | 6 Ų | 6 | 38.4 Ų | 38.4 | 2% | 0.023 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 146.2 | -179.2 | -75.2 | -170.3 | 57.9 | -173.9 | -10.5 | 111.7 | K4 E5 I8 S48 W49 A321 | K4-R332 WeakPolarHBondContact CA-O 3.13Å; E5-R332 HydrophobicContact CB-CB 4.23Å; E5-R332 PolarHBondContact N-O 2.8Å; E5-R332 IonicContact OE2-CZ 3.68Å; E5-R332 IonicContact OE2-NE 2.66Å; E5-R332 IonicContact OE2-NH2 3.19Å; E5-R332 PolarHBondContact OE2-NH2 2.75Å; I8-R332 HydrophobicContact CD1-CG 4.21Å; S48-R332 PolarHBondContact O-NH1 2.88Å; W49-R332 PolarHBondContact O-NH1 3.14Å; W49-R332 PolarHBondContact O-NH2 2.84Å; A321-R332 HydrophobicContact CB-CG 4.23Å |
| 333 | Y | 96.4 | Very high | 95.4 | Very high | 3 Ų | 3 | 41.1 Ų | 41.1 | 1% | 0.012 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 139.1 | 177.9 | -64.8 | -92.6 | 0 | 0 | 0 | 110 | H3 K4 E300 A319 F320 V322 I331 | H3-Y333 CarbonylContact O-C 3.6Å; H3-Y333 VanDerWaalsContact O-CA 3.24Å; H3-Y333 WeakPolarHBondContact O-CA 3.5Å; K4-Y333 HydrophobicContact CB-CD1 3.97Å; K4-Y333 HydrophobicContact CB-CE1 3.62Å; K4-Y333 HydrophobicContact CG-CE1 4.17Å; E300-Y333 HydrophobicContact CG-CD1 4.3Å; E300-Y333 HydrophobicContact CG-CE1 3.47Å; E300-Y333 VanDerWaalsContact CG-CE1 3.47Å; A319-Y333 CarbonylContact C-O 3.58Å; A319-Y333 WeakPolarHBondContact CA-O 3.07Å; F320-Y333 AromaticContact CD2-CD2 3.88Å; F320-Y333 HydrophobicContact CD2-CD2 3.88Å; F320-Y333 HydrophobicContact CD2-CG 4.33Å; F320-Y333 HydrophobicContact CE1-CG 4.29Å; F320-Y333 AromaticContact CE2-CD2 3.23Å; F320-Y333 HydrophobicContact CE2-CD2 3.23Å; F320-Y333 AromaticContact CE2-CE2 3.96Å; F320-Y333 HydrophobicContact CE2-CE2 3.96Å; F320-Y333 AromaticContact CE2-CG 3.59Å; F320-Y333 HydrophobicContact CE2-CG 3.59Å; F320-Y333 VanDerWaalsContact CZ-CB 3.48Å; F320-Y333 HydrophobicContact CZ-CD1 4.24Å; F320-Y333 AromaticContact CZ-CD2 3.73Å; F320-Y333 HydrophobicContact CZ-CD2 3.73Å; F320-Y333 AromaticContact CZ-CG 3.56Å; F320-Y333 HydrophobicContact CZ-CG 3.56Å; F320-Y333 PolarHBondContact N-O 3.23Å; F320-Y333 PolarHBondContact O-N 3.17Å; V322-Y333 HydrophobicContact CG2-CD2 4.19Å; V322-Y333 HydrophobicContact CG2-CE2 3.99Å; I331-Y333 HydrophobicContact CB-CE2 4.17Å; I331-Y333 HydrophobicContact CG2-CD2 4.19Å; I331-Y333 HydrophobicContact CG2-CE2 3.36Å |
| 334 | T | 95.3 | Very high | 95.2 | Very high | 13 Ų | 13 | 44.2 Ų | 44.2 | 8% | 0.08 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 145.5 | 177.6 | 46.2 | 0 | 0 | 0 | 0 | 111.7 | Y2 H3 E5 Y318 A319 | Y2-T334 CarbonylContact C-O 3.51Å; Y2-T334 VanDerWaalsContact CA-O 3.28Å; Y2-T334 WeakPolarHBondContact CA-O 3.07Å; H3-T334 PolarHBondContact N-O 3.45Å; H3-T334 PolarHBondContact O-N 3.4Å; E5-T334 VanDerWaalsContact CD-OG1 3.24Å; E5-T334 HydrophobicContact CG-CG2 4.1Å; E5-T334 WeakPolarHBondContact CG-OG1 3.25Å; E5-T334 WeakPolarHBondContact OE1-CB 3.49Å; E5-T334 WeakPolarHBondContact OE1-CG2 3.34Å; E5-T334 PolarHBondContact OE1-OG1 2.82Å; E5-T334 WeakPolarHBondContact OE2-CG2 3.12Å; Y318-T334 HydrophobicContact CE1-CG2 4.18Å; Y318-T334 CarbonylContact O-C 3.54Å; Y318-T334 WeakPolarHBondContact O-CA 3.05Å; A319-T334 HydrophobicContact CB-CG2 3.71Å |
| 335 | Q | 92.9 | Very high | 95 | Very high | 60 Ų | 60 | 47.8 Ų | 47.8 | 28% | 0.28 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 142 | 170.7 | -67.1 | -170.9 | -1.6 | 0 | 0 | 109.9 | Y2 G317 Y318 | Y2-Q335 HydrophobicContact CD1-CG 3.71Å; Y2-Q335 HydrophobicContact CD2-CG 4.32Å; Y2-Q335 HydrophobicContact CE1-CB 4.46Å; Y2-Q335 HydrophobicContact CE1-CG 3.3Å; Y2-Q335 HydrophobicContact CE2-CG 3.96Å; Y2-Q335 HydrophobicContact CG-CG 4.2Å; Y2-Q335 VanDerWaalsContact CZ-CG 3.45Å; Y2-Q335 VanDerWaalsContact CZ-NE2 3.31Å; Y2-Q335 PolarHBondContact OH-NE2 2.97Å; G317-Q335 PolarHBondContact O-NE2 3.14Å; Y318-Q335 HydrophobicContact CD2-CB 4.14Å; Y318-Q335 HydrophobicContact CE2-CB 4.29Å; Y318-Q335 PolarHBondContact O-N 3.22Å; Y318-Q335 PolarHBondContact OH-O 2.8Å |
| 336 | V | 82.1 | Confident | 94.8 | Very high | 156 Ų | 156 | 42.7 Ų | 42.7 | 95% | 0.945 | 24% | 0.239 | S | C | * | . | trans | -106.1 | 0 | 164.4 | 177.5 | 0 | 0 | 0 | 0 | 108.6 | M1 H3 | M1-V336 PolarHBondContact O-N 2.62Å; M1-V336 VanDerWaalsContact O-N 3.17Å; H3-V336 HydrophobicContact CB-CG2 4.43Å; H3-V336 VanDerWaalsContact CE1-CG2 3.5Å; H3-V336 WeakPolarHBondContact CE1-CG2 3.48Å; H3-V336 WeakPolarHBondContact ND1-CG2 3.31Å |
Retrieved 336 of 336 residues in 2634.5 ms
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