A0A3Q0KFL4_SCHMA Loading...

Putative ran-binding protein AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KFL4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 201 aa.

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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
1M63.2Low89.6Confident227 Ų22770.4 Ų70.4100%1.11837%0.365SS*.  0138.70-85.5-171.7-87.700107.8
2I76.4Confident90.1Very high31 Ų3166.9 Ų66.916%0.15936%0.36CS..  trans-76.7137.1177.3-61.4171.8000108.2P19 L177 T178I2-P19 HydrophobicContact CG2-CB 3.85Å; I2-L177 HydrophobicContact CD1-CB 3.89Å; I2-L177 VanDerWaalsContact CD1-O 3.25Å; I2-L177 WeakPolarHBondContact CD1-O 3.37Å; I2-L177 HydrophobicContact CG1-CB 4Å; I2-L177 HydrophobicContact CG1-CD1 4.37Å; I2-T178 WeakPolarHBondContact CD1-O 3.31Å
3T87.9Confident90.5Very high43 Ų4362.2 Ų62.226%0.26434%0.336SS..  trans-76.9136.8175.2-57.70000109.4P19 T20T3-P19 WeakPolarHBondContact O-CA 3.24Å; T3-T20 HydrophobicContact CG2-CG2 3.84Å; T3-T20 PolarHBondContact O-N 2.86Å; T3-T20 PolarHBondContact O-OG1 3.35Å
4M90.6Very high90.9Very high35 Ų3557.9 Ų57.917%0.17231%0.312CS..EExtended strand (participates in β ladder)trans-106.3141.8175.1-61.5-65.1-73.300109.1L17 L18 P19 T183 T186 M187M4-L17 HydrophobicContact CE-CB 4.22Å; M4-L17 WeakPolarHBondContact CE-O 3.37Å; M4-L18 WeakPolarHBondContact CA-O 3.17Å; M4-P19 HydrophobicContact CE-CG 4.21Å; M4-P19 HydrophobicContact SD-CB 4.14Å; M4-P19 HydrophobicContact SD-CG 3.7Å; M4-T183 HydrophobicContact CE-CG2 4.19Å; M4-T183 HydrophobicContact SD-CG2 3.63Å; M4-T186 HydrophobicContact CE-CG2 4.03Å; M4-M187 HydrophobicContact CE-CG 3.66Å
5Q93.6Very high91.2Very high61 Ų6155.7 Ų55.729%0.28530%0.299SS..EExtended strand (participates in β ladder)trans-135.3155.418067.8174.5-19.900114R7 L17 L18 T20Q5-R7 PolarHBondContact O-N 3.05Å; Q5-R7 VanDerWaalsContact O-N 3.17Å; Q5-L17 WeakPolarHBondContact O-CA 3.43Å; Q5-L18 PolarHBondContact N-O 3.03Å; Q5-L18 PolarHBondContact O-N 3.12Å; Q5-T20 HydrophobicContact CB-CG2 4.03Å; Q5-T20 HydrophobicContact CG-CG2 3.9Å
6S94.1Very high91.4Very high19 Ų1952.2 Ų52.213%0.13328%0.281CS..EExtended strand (participates in β ladder)trans-5489.2168.5-137.50000116.7Q15 C16S6-Q15 WeakPolarHBondContact OG-CG 3.29Å; S6-Q15 PolarHBondContact OG-NE2 2.68Å; S6-C16 PolarHBondContact OG-O 3Å
7R95.6Very high91.6Very high66 Ų6649.4 Ų49.425%0.24927%0.265CS..EExtended strand (participates in β ladder)trans-99.9122.9173.6-159.3176.8-175.6124.1-7112.4Q5 L9 Q15 C16 L18 D24 F38Q5-R7 PolarHBondContact O-N 3.05Å; Q5-R7 VanDerWaalsContact O-N 3.17Å; R7-L9 HydrophobicContact CB-CD2 4.28Å; R7-L9 HydrophobicContact CG-CD2 4.14Å; R7-Q15 WeakPolarHBondContact O-CA 3.42Å; R7-C16 PolarHBondContact N-O 3.07Å; R7-C16 PolarHBondContact O-N 3.07Å; R7-L18 HydrophobicContact CB-CD1 4.09Å; R7-L18 HydrophobicContact CB-CG 4.46Å; R7-L18 HydrophobicContact CG-CD1 4.47Å; R7-D24 IonicContact CZ-OD2 3.3Å; R7-D24 IonicContact NH2-OD2 3.76Å; R7-D24 PolarHBondContact NH2-OD2 2.96Å; R7-F38 VanDerWaalsContact NE-CE1 3.26Å
8P96.5Very high91.9Very high86 Ų8646.7 Ų46.756%0.55825%0.251SS*.EExtended strand (participates in β ladder)trans-70.7138165.330.7-32.5000109.5F14P8-F14 WeakPolarHBondContact CA-O 3.48Å
9L96.9Very high92Very high0 Ų044.2 Ų44.20%024%0.238CC..EExtended strand (participates in β ladder)trans-122.2150.6178-42.5176000108.7R7 G12 A13 F14 C16 L18 E36 F38 I49 L191R7-L9 HydrophobicContact CB-CD2 4.28Å; R7-L9 HydrophobicContact CG-CD2 4.14Å; L9-G12 CarbonylContact O-C 3.57Å; L9-G12 WeakPolarHBondContact O-CA 3.47Å; L9-G12 PolarHBondContact O-N 3.25Å; L9-A13 PolarHBondContact O-N 2.92Å; L9-A13 VanDerWaalsContact O-N 3.12Å; L9-F14 HydrophobicContact CB-CB 4.04Å; L9-F14 HydrophobicContact CD1-CB 4.45Å; L9-F14 PolarHBondContact N-O 3.16Å; L9-F14 PolarHBondContact O-N 3.09Å; L9-C16 HydrophobicContact CD1-CB 3.61Å; L9-C16 HydrophobicContact CG-CB 4.27Å; L9-L18 HydrophobicContact CD2-CD1 4.26Å; L9-E36 VanDerWaalsContact CA-OE1 3.26Å; L9-E36 WeakPolarHBondContact CA-OE1 3.4Å; L9-E36 WeakPolarHBondContact CB-OE2 3.26Å; L9-E36 WeakPolarHBondContact CD2-OE2 3.34Å; L9-F38 HydrophobicContact CD2-CE2 3.97Å; L9-F38 HydrophobicContact CD2-CZ 4.09Å; L9-I49 HydrophobicContact CD1-CB 4.21Å; L9-I49 HydrophobicContact CD1-CD1 4.08Å; L9-I49 HydrophobicContact CD1-CG1 3.83Å; L9-I49 HydrophobicContact CD1-CG2 4.13Å; L9-L191 HydrophobicContact CD1-CD1 3.87Å
10F96.4Very high92Very high23 Ų2343.7 Ų43.710%0.10124%0.236CC..THydrogen-bonded Turntrans50.661.5178.5-49.9-79.2000111.9G12 A13 F14 N34 E36 I49 I51 I198F10-G12 PolarHBondContact O-N 3.07Å; F10-G12 VanDerWaalsContact O-N 3.08Å; F10-A13 HydrophobicContact CB-CB 4.24Å; F10-A13 VanDerWaalsContact O-CB 3.24Å; F10-A13 WeakPolarHBondContact O-CB 3.3Å; F10-A13 PolarHBondContact O-N 3.47Å; F10-F14 HydrophobicContact CD2-CB 4.19Å; F10-F14 AromaticContact CD2-CD2 3.78Å; F10-F14 HydrophobicContact CD2-CD2 3.78Å; F10-F14 HydrophobicContact CD2-CG 4.36Å; F10-F14 HydrophobicContact CE2-CD2 4.36Å; F10-N34 VanDerWaalsContact CE1-C 3.48Å; F10-E36 HydrophobicContact CD1-CG 4.26Å; F10-E36 HydrophobicContact CE1-CG 3.86Å; F10-E36 HydrophobicContact CE2-CG 4.48Å; F10-E36 HydrophobicContact CZ-CB 4.37Å; F10-E36 HydrophobicContact CZ-CG 4Å; F10-E36 PolarHBondContact N-OE1 3.28Å; F10-I49 HydrophobicContact CE2-CB 4.41Å; F10-I49 HydrophobicContact CE2-CG2 3.76Å; F10-I49 HydrophobicContact CZ-CB 4.49Å; F10-I49 HydrophobicContact CZ-CG2 4.15Å; F10-I51 HydrophobicContact CD1-CD1 4.09Å; F10-I51 HydrophobicContact CD2-CD1 3.93Å; F10-I51 HydrophobicContact CE1-CD1 4.06Å; F10-I51 HydrophobicContact CE1-CG1 4.39Å; F10-I51 HydrophobicContact CE2-CD1 3.89Å; F10-I51 HydrophobicContact CE2-CG1 4.08Å; F10-I51 HydrophobicContact CG-CD1 4.03Å; F10-I51 HydrophobicContact CZ-CD1 3.95Å; F10-I51 HydrophobicContact CZ-CG1 3.96Å; F10-I198 HydrophobicContact CB-CD1 3.3Å; F10-I198 HydrophobicContact CD1-CD1 4.4Å; F10-I198 HydrophobicContact CD2-CD1 4.32Å; F10-I198 HydrophobicContact CG-CD1 3.79Å
11D94.5Very high91.9Very high183 Ų18342.7 Ų42.798%0.97923%0.231SC*.THydrogen-bonded Turntrans53.630.5-175.3-66.1-40.1000114
12G95.3Very high93.4Very high29 Ų2932.7 Ų32.730%0.29918%0.182SC..THydrogen-bonded Turntrans81.412.4-179.900000114.3L9 F10 F14 M194L9-G12 CarbonylContact O-C 3.57Å; L9-G12 WeakPolarHBondContact O-CA 3.47Å; L9-G12 PolarHBondContact O-N 3.25Å; F10-G12 PolarHBondContact O-N 3.07Å; F10-G12 VanDerWaalsContact O-N 3.08Å; G12-F14 VanDerWaalsContact C-N 3.26Å; G12-M194 WeakPolarHBondContact O-CB 3.34Å
13A95.6Very high94.3Very high6 Ų633.6 Ų33.65%0.0519%0.189CC..THydrogen-bonded Turntrans-66.2-32.3169.600000112.4L9 F10 M194 N195 I198L9-A13 PolarHBondContact O-N 2.92Å; L9-A13 VanDerWaalsContact O-N 3.12Å; F10-A13 HydrophobicContact CB-CB 4.24Å; F10-A13 VanDerWaalsContact O-CB 3.24Å; F10-A13 WeakPolarHBondContact O-CB 3.3Å; F10-A13 PolarHBondContact O-N 3.47Å; A13-M194 WeakPolarHBondContact O-CA 3.24Å; A13-M194 PolarHBondContact O-N 3.46Å; A13-N195 PolarHBondContact O-N 3.46Å; A13-I198 HydrophobicContact CB-CB 3.68Å; A13-I198 HydrophobicContact CB-CD1 3.52Å; A13-I198 HydrophobicContact CB-CG1 4.17Å; A13-I198 HydrophobicContact CB-CG2 3.95Å
14F95.9Very high94.7Very high1 Ų132.8 Ų32.80%0.00418%0.183CC..EExtended strand (participates in β ladder)trans-120.7163.2172.3-75.8-88.4000111.7P8 L9 F10 G12 I51 Y129 V136 L191 R192 L193 I198 F199P8-F14 WeakPolarHBondContact CA-O 3.48Å; L9-F14 HydrophobicContact CB-CB 4.04Å; L9-F14 HydrophobicContact CD1-CB 4.45Å; L9-F14 PolarHBondContact N-O 3.16Å; L9-F14 PolarHBondContact O-N 3.09Å; F10-F14 HydrophobicContact CD2-CB 4.19Å; F10-F14 AromaticContact CD2-CD2 3.78Å; F10-F14 HydrophobicContact CD2-CD2 3.78Å; F10-F14 HydrophobicContact CD2-CG 4.36Å; F10-F14 HydrophobicContact CE2-CD2 4.36Å; G12-F14 VanDerWaalsContact C-N 3.26Å; F14-I51 HydrophobicContact CD2-CD1 4.29Å; F14-I51 HydrophobicContact CE2-CD1 3.86Å; F14-I51 HydrophobicContact CE2-CG1 4.45Å; F14-Y129 AromaticContact CE1-CE2 3.85Å; F14-Y129 HydrophobicContact CE1-CE2 3.85Å; F14-Y129 AromaticContact CE1-CZ 3.86Å; F14-Y129 HydrophobicContact CZ-CE2 4.05Å; F14-V136 HydrophobicContact CE1-CG2 4.4Å; F14-V136 HydrophobicContact CZ-CG2 3.85Å; F14-L191 HydrophobicContact CB-CD1 4.07Å; F14-L191 HydrophobicContact CD1-CD1 3.89Å; F14-L191 HydrophobicContact CD1-CD2 4.12Å; F14-L191 HydrophobicContact CD1-CG 3.88Å; F14-L191 HydrophobicContact CE1-CD2 4.22Å; F14-L191 HydrophobicContact CE1-CG 4.41Å; F14-L191 HydrophobicContact CG-CD1 4.28Å; F14-R192 CarbonylContact C-O 3.54Å; F14-R192 VanDerWaalsContact CA-O 3.28Å; F14-R192 WeakPolarHBondContact CA-O 3.48Å; F14-R192 WeakPolarHBondContact CD1-O 3.41Å; F14-L193 HydrophobicContact CD1-CB 4.35Å; F14-L193 HydrophobicContact CD1-CD1 4.25Å; F14-L193 HydrophobicContact CD2-CD1 4.3Å; F14-L193 HydrophobicContact CE1-CB 3.93Å; F14-L193 HydrophobicContact CE1-CD1 3.72Å; F14-L193 HydrophobicContact CE1-CG 4.43Å; F14-L193 HydrophobicContact CE2-CD1 3.77Å; F14-L193 HydrophobicContact CZ-CB 4.48Å; F14-L193 HydrophobicContact CZ-CD1 3.46Å; F14-L193 VanDerWaalsContact CZ-CD1 3.46Å; F14-I198 HydrophobicContact CD2-CD1 4.18Å; F14-I198 HydrophobicContact CE2-CD1 4.18Å; F14-I198 HydrophobicContact CE2-CG2 3.95Å; F14-F199 HydrophobicContact CE2-CZ 4.23Å; F14-F199 HydrophobicContact CZ-CE2 4.3Å; F14-F199 AromaticContact CZ-CZ 3.75Å; F14-F199 HydrophobicContact CZ-CZ 3.75Å
15Q95.2Very high95Very high25 Ų2531.3 Ų31.312%0.11718%0.176CC..EExtended strand (participates in β ladder)trans-135.7139.1171.1-178.2173.62800109.5S6 R7 F161 L191 R192 M194S6-Q15 WeakPolarHBondContact OG-CG 3.29Å; S6-Q15 PolarHBondContact OG-NE2 2.68Å; R7-Q15 WeakPolarHBondContact O-CA 3.42Å; Q15-F161 HydrophobicContact CG-CE1 4.22Å; Q15-L191 CarbonylContact O-C 3.59Å; Q15-L191 VanDerWaalsContact O-CA 3.28Å; Q15-L191 WeakPolarHBondContact O-CA 3.2Å; Q15-R192 PolarHBondContact N-O 2.95Å; Q15-R192 PolarHBondContact O-N 3.08Å; Q15-M194 HydrophobicContact CB-CG 3.81Å; Q15-M194 HydrophobicContact CB-SD 4.18Å
16C94.8Very high95Very high0 Ų031.6 Ų31.60%019%0.185CC..EExtended strand (participates in β ladder)trans-137.8153.2176-169.60000110.4S6 R7 L9 L18 S190 L191S6-C16 PolarHBondContact OG-O 3Å; R7-C16 PolarHBondContact N-O 3.07Å; R7-C16 PolarHBondContact O-N 3.07Å; L9-C16 HydrophobicContact CD1-CB 3.61Å; L9-C16 HydrophobicContact CG-CB 4.27Å; C16-L18 HydrophobicContact CB-CG 4.38Å; C16-S190 PolarHBondContact SG-OG 2.76Å; C16-L191 HydrophobicContact CB-CD1 4.19Å
17L95.1Very high95Very high4 Ų436.9 Ų36.92%0.02121%0.212CC..EExtended strand (participates in β ladder)trans-89.6114168.8-73.4164.9000108.7M4 Q5 V159 F161 T186 M187 S190M4-L17 HydrophobicContact CE-CB 4.22Å; M4-L17 WeakPolarHBondContact CE-O 3.37Å; Q5-L17 WeakPolarHBondContact O-CA 3.43Å; L17-V159 HydrophobicContact CD1-CB 4.33Å; L17-V159 HydrophobicContact CD1-CG1 3.16Å; L17-F161 HydrophobicContact CD1-CD1 4.17Å; L17-F161 HydrophobicContact CD1-CE1 4.07Å; L17-F161 HydrophobicContact CD1-CZ 4.49Å; L17-F161 HydrophobicContact CD2-CD1 3.86Å; L17-F161 HydrophobicContact CD2-CE1 4.27Å; L17-F161 HydrophobicContact CG-CD1 3.83Å; L17-F161 HydrophobicContact CG-CE1 3.73Å; L17-T186 HydrophobicContact CB-CG2 4.2Å; L17-T186 HydrophobicContact CD1-CG2 4.08Å; L17-M187 WeakPolarHBondContact O-CG 3.37Å; L17-S190 WeakPolarHBondContact CB-OG 2.85Å; L17-S190 PolarHBondContact N-OG 2.66Å
18L96Very high94.9Very high1 Ų140 Ų401%0.00523%0.233CC..EExtended strand (participates in β ladder)trans-119.4149.8179.7-63.4-179.7000111M4 Q5 R7 L9 C16 V22 F38 V47 M187M4-L18 WeakPolarHBondContact CA-O 3.17Å; Q5-L18 PolarHBondContact N-O 3.03Å; Q5-L18 PolarHBondContact O-N 3.12Å; R7-L18 HydrophobicContact CB-CD1 4.09Å; R7-L18 HydrophobicContact CB-CG 4.46Å; R7-L18 HydrophobicContact CG-CD1 4.47Å; L9-L18 HydrophobicContact CD2-CD1 4.26Å; C16-L18 HydrophobicContact CB-CG 4.38Å; L18-V22 HydrophobicContact CB-CG1 4.39Å; L18-V22 HydrophobicContact CB-CG2 4.41Å; L18-F38 HydrophobicContact CD1-CD1 4.44Å; L18-F38 HydrophobicContact CD1-CD2 3.55Å; L18-F38 HydrophobicContact CD1-CE1 4.46Å; L18-F38 HydrophobicContact CD1-CE2 3.52Å; L18-F38 HydrophobicContact CD1-CG 4.03Å; L18-F38 HydrophobicContact CD1-CZ 4.01Å; L18-V47 HydrophobicContact CD2-CG1 3.97Å; L18-M187 HydrophobicContact CD2-CG 4.11Å; L18-M187 HydrophobicContact CD2-SD 4.04Å
19P93.9Very high94.7Very high0 Ų041.8 Ų41.80%023%0.228CC..EExtended strand (participates in β ladder)trans-54.8140.3172.7-27.337000111.7I2 T3 M4 N21 V22 W179 T183 M187I2-P19 HydrophobicContact CG2-CB 3.85Å; T3-P19 WeakPolarHBondContact O-CA 3.24Å; M4-P19 HydrophobicContact CE-CG 4.21Å; M4-P19 HydrophobicContact SD-CB 4.14Å; M4-P19 HydrophobicContact SD-CG 3.7Å; P19-N21 WeakPolarHBondContact CB-OD1 3.31Å; P19-N21 PolarHBondContact O-N 3.1Å; P19-N21 VanDerWaalsContact O-N 3.14Å; P19-V22 HydrophobicContact CB-CG1 4.15Å; P19-V22 HydrophobicContact CG-CG1 4.31Å; P19-V22 WeakPolarHBondContact O-CG1 3.29Å; P19-V22 WeakPolarHBondContact O-CG2 3.26Å; P19-V22 PolarHBondContact O-N 2.88Å; P19-W179 HydrophobicContact CG-CD2 4.14Å; P19-W179 HydrophobicContact CG-CG 4.11Å; P19-W179 HydrophobicContact CG-CZ2 4.38Å; P19-T183 HydrophobicContact CG-CG2 3.69Å; P19-M187 WeakPolarHBondContact CD-SD 3.4Å; P19-M187 HydrophobicContact CG-SD 3.91Å
20T91.8Very high94.7Very high34 Ų3450.8 Ų50.821%0.20927%0.271CS..THydrogen-bonded Turntrans-65.2-18.4179.5540000113.5T3 Q5T3-T20 HydrophobicContact CG2-CG2 3.84Å; T3-T20 PolarHBondContact O-N 2.86Å; T3-T20 PolarHBondContact O-OG1 3.35Å; Q5-T20 HydrophobicContact CB-CG2 4.03Å; Q5-T20 HydrophobicContact CG-CG2 3.9Å
21N89.7Confident94.6Very high23 Ų2351 Ų5112%0.12327%0.273CS..THydrogen-bonded Turntrans-89.44.4178.972.1-29000114.2P19 H40 P41 W179P19-N21 WeakPolarHBondContact CB-OD1 3.31Å; P19-N21 PolarHBondContact O-N 3.1Å; P19-N21 VanDerWaalsContact O-N 3.14Å; N21-H40 PolarHBondContact ND2-CD2 3.37Å; N21-H40 PolarHBondContact ND2-NE2 2.77Å; N21-P41 WeakPolarHBondContact O-CD 3.34Å; N21-W179 PolarHBondContact OD1-NE1 3.32Å
22V94.7Very high94.7Very high17 Ų1745.6 Ų45.610%0.10325%0.247CC..  trans-60.9141.4175.6-67.60000111.5L18 P19 F38 W179L18-V22 HydrophobicContact CB-CG1 4.39Å; L18-V22 HydrophobicContact CB-CG2 4.41Å; P19-V22 HydrophobicContact CB-CG1 4.15Å; P19-V22 HydrophobicContact CG-CG1 4.31Å; P19-V22 WeakPolarHBondContact O-CG1 3.29Å; P19-V22 WeakPolarHBondContact O-CG2 3.26Å; P19-V22 PolarHBondContact O-N 2.88Å; V22-F38 HydrophobicContact CB-CB 3.99Å; V22-F38 HydrophobicContact CB-CD1 4.27Å; V22-F38 HydrophobicContact CB-CG 4.39Å; V22-F38 HydrophobicContact CG1-CB 4.05Å; V22-F38 HydrophobicContact CG2-CD1 4.02Å; V22-F38 HydrophobicContact CG2-CG 4.43Å; V22-W179 HydrophobicContact CG1-CH2 4.23Å; V22-W179 HydrophobicContact CG1-CZ2 3.69Å
23V95.5Very high94.6Very high50 Ų5051.9 Ų51.930%0.30327%0.274SS..EExtended strand (participates in β ladder)trans-104.2131.1166.71790000107.9A25 L28 F38 V39 P41V23-A25 PolarHBondContact O-N 2.8Å; V23-L28 HydrophobicContact CG1-CD1 4.48Å; V23-F38 CarbonylContact O-C 3.56Å; V23-F38 WeakPolarHBondContact O-CA 3.39Å; V23-V39 HydrophobicContact CB-CG2 3.93Å; V23-V39 HydrophobicContact CG1-CG2 4.38Å; V23-V39 PolarHBondContact N-O 2.93Å; V23-V39 PolarHBondContact O-N 3.22Å; V23-P41 HydrophobicContact CG2-CB 4.01Å
24D96.4Very high94.7Very high26 Ų2655 Ų5514%0.13929%0.29CS..EExtended strand (participates in β ladder)trans-72.4123175.2-161.1-42.8000109.4R7 S26 D27 F38R7-D24 IonicContact CZ-OD2 3.3Å; R7-D24 IonicContact NH2-OD2 3.76Å; R7-D24 PolarHBondContact NH2-OD2 2.96Å; D24-S26 PolarHBondContact O-N 3.09Å; D24-S26 VanDerWaalsContact OD1-CB 3.29Å; D24-S26 WeakPolarHBondContact OD1-CB 3.11Å; D24-S26 PolarHBondContact OD1-N 3.16Å; D24-S26 PolarHBondContact OD1-OG 2.97Å; D24-D27 PolarHBondContact O-N 3.17Å; D24-F38 HydrophobicContact CB-CD1 4.34Å; D24-F38 HydrophobicContact CB-CE1 4.15Å
25A96.5Very high94.7Very high3 Ų357.1 Ų57.13%0.02530%0.3CS..G310 helixtrans-70.6-19.6-179.500000112.2V23 D27 L28 R29 I31 V37V23-A25 PolarHBondContact O-N 2.8Å; A25-D27 PolarHBondContact O-N 2.89Å; A25-L28 PolarHBondContact O-N 3.42Å; A25-R29 WeakPolarHBondContact O-CG 3.45Å; A25-R29 PolarHBondContact O-N 2.89Å; A25-I31 HydrophobicContact CB-CD1 4Å; A25-V37 HydrophobicContact CB-CB 3.87Å; A25-V37 HydrophobicContact CB-CG1 3.99Å; A25-V37 WeakPolarHBondContact CB-O 3.28Å; A25-V37 PolarHBondContact N-O 3.32Å
26S95.2Very high94.9Very high67 Ų6757.7 Ų57.747%0.46930%0.302SS..G310 helixtrans-64.4-24.5176.567.30000113.1D24 L28 R29D24-S26 PolarHBondContact O-N 3.09Å; D24-S26 VanDerWaalsContact OD1-CB 3.29Å; D24-S26 WeakPolarHBondContact OD1-CB 3.11Å; D24-S26 PolarHBondContact OD1-N 3.16Å; D24-S26 PolarHBondContact OD1-OG 2.97Å; S26-L28 PolarHBondContact O-N 3.36Å; S26-R29 CarbonylContact C-O 3.54Å; S26-R29 VanDerWaalsContact CA-O 3.31Å; S26-R29 WeakPolarHBondContact CA-O 3Å
27D93.7Very high95Very high130 Ų13058 Ų5870%0.69530%0.304SS*.G310 helixtrans-67.8-20.8172.2-68.6-30.8000112.5D24 A25D24-D27 PolarHBondContact O-N 3.17Å; A25-D27 PolarHBondContact O-N 2.89Å
28L92.5Very high95.2Very high133 Ų13357.8 Ų57.870%0.69630%0.303SS*.THydrogen-bonded Turntrans-109.5-30.4-172.9-57.5177.8000112.9V23 A25 S26V23-L28 HydrophobicContact CG1-CD1 4.48Å; A25-L28 PolarHBondContact O-N 3.42Å; S26-L28 PolarHBondContact O-N 3.36Å
29R94Very high95.2Very high122 Ų12259.7 Ų59.746%0.4632%0.315SS..SBendtrans-153.4160.3-175.261.1176.7-177.499-2111A25 S26 I31A25-R29 WeakPolarHBondContact O-CG 3.45Å; A25-R29 PolarHBondContact O-N 2.89Å; S26-R29 CarbonylContact C-O 3.54Å; S26-R29 VanDerWaalsContact CA-O 3.31Å; S26-R29 WeakPolarHBondContact CA-O 3Å; R29-I31 HydrophobicContact CG-CD1 3.78Å
30Q95.7Very high95.2Very high190 Ų19060 Ų6089%0.88832%0.316SS*.  trans-66.7135.4169.5-69.8-179.5-23.200110.4
31I95.5Very high95.1Very high27 Ų2761.4 Ų61.414%0.13833%0.326CS..  trans-119.5139.4173.9-48.3-61.6000107.1A25 R29 Q35 V37A25-I31 HydrophobicContact CB-CD1 4Å; R29-I31 HydrophobicContact CG-CD1 3.78Å; I31-Q35 HydrophobicContact CG2-CB 3.92Å; I31-Q35 HydrophobicContact CG2-CG 4.11Å; I31-Q35 WeakPolarHBondContact CG2-O 3.3Å; I31-V37 HydrophobicContact CD1-CB 4.3Å; I31-V37 HydrophobicContact CD1-CG2 4.29Å; I31-V37 HydrophobicContact CG2-CG2 4.19Å
32P95.6Very high95.1Very high69 Ų6963.6 Ų63.645%0.44834%0.343SS..  trans-56.8147.7170.6-24.835.5000112.4N34 Q35P32-N34 VanDerWaalsContact CB-OD1 3.29Å; P32-N34 WeakPolarHBondContact CB-OD1 3.43Å; P32-N34 PolarHBondContact O-N 2.99Å; P32-Q35 HydrophobicContact CB-CB 4.4Å; P32-Q35 PolarHBondContact O-N 2.99Å
33D94Very high94.9Very high162 Ų16264.2 Ų64.287%0.86635%0.347SS*.THydrogen-bonded Turntrans-65.8-21.4-175.2-61.4-22.3000113.5Q35D33-Q35 VanDerWaalsContact C-N 3.31Å
34N96.2Very high94.6Very high71 Ų7165.8 Ų65.838%0.3836%0.36SS..THydrogen-bonded Turntrans-87.63.7175.472.1-52.8000113.3F10 P32 D50 I51F10-N34 VanDerWaalsContact CE1-C 3.48Å; P32-N34 VanDerWaalsContact CB-OD1 3.29Å; P32-N34 WeakPolarHBondContact CB-OD1 3.43Å; P32-N34 PolarHBondContact O-N 2.99Å; N34-D50 PolarHBondContact ND2-OD1 2.98Å; N34-I51 HydrophobicContact CB-CB 4.4Å; N34-I51 PolarHBondContact ND2-O 2.97Å; N34-I51 PolarHBondContact O-N 2.89Å
35Q97.3Very high94.5Very high45 Ų4564.6 Ų64.621%0.2135%0.354CS..EExtended strand (participates in β ladder)trans-129.6143-177.8-171.2-179.885.200112I31 P32 D33 V37 T48 I49 D50I31-Q35 HydrophobicContact CG2-CB 3.92Å; I31-Q35 HydrophobicContact CG2-CG 4.11Å; I31-Q35 WeakPolarHBondContact CG2-O 3.3Å; P32-Q35 HydrophobicContact CB-CB 4.4Å; P32-Q35 PolarHBondContact O-N 2.99Å; D33-Q35 VanDerWaalsContact C-N 3.31Å; Q35-V37 HydrophobicContact CG-CG2 3.84Å; Q35-T48 HydrophobicContact CG-CG2 3.7Å; Q35-I49 CarbonylContact C-O 3.48Å; Q35-I49 WeakPolarHBondContact CA-O 3.49Å; Q35-D50 HydrophobicContact CG-CB 4.46Å; Q35-D50 PolarHBondContact NE2-OD2 2.81Å
36E98.1Very high94.5Very high37 Ų3765.4 Ų65.417%0.17336%0.359CS..EExtended strand (participates in β ladder)trans-125.1131.9165.4-70.9-164.7-172.100110.2L9 F10 F38 T48 I49L9-E36 VanDerWaalsContact CA-OE1 3.26Å; L9-E36 WeakPolarHBondContact CA-OE1 3.4Å; L9-E36 WeakPolarHBondContact CB-OE2 3.26Å; L9-E36 WeakPolarHBondContact CD2-OE2 3.34Å; F10-E36 HydrophobicContact CD1-CG 4.26Å; F10-E36 HydrophobicContact CE1-CG 3.86Å; F10-E36 HydrophobicContact CE2-CG 4.48Å; F10-E36 HydrophobicContact CZ-CB 4.37Å; F10-E36 HydrophobicContact CZ-CG 4Å; F10-E36 PolarHBondContact N-OE1 3.28Å; E36-F38 HydrophobicContact CB-CE2 3.91Å; E36-F38 HydrophobicContact CB-CZ 4.24Å; E36-F38 VanDerWaalsContact OE2-CZ 3.3Å; E36-F38 WeakPolarHBondContact OE2-CZ 3.38Å; E36-T48 CarbonylContact O-C 3.53Å; E36-T48 WeakPolarHBondContact O-CA 2.87Å; E36-I49 PolarHBondContact N-O 3.5Å; E36-I49 PolarHBondContact O-N 2.95Å
37V98Very high94.6Very high6 Ų662.2 Ų62.24%0.03634%0.337CS..EExtended strand (participates in β ladder)trans-125.8127.4-177-174.70000110.3A25 I31 Q35 T48A25-V37 HydrophobicContact CB-CB 3.87Å; A25-V37 HydrophobicContact CB-CG1 3.99Å; A25-V37 WeakPolarHBondContact CB-O 3.28Å; A25-V37 PolarHBondContact N-O 3.32Å; I31-V37 HydrophobicContact CD1-CB 4.3Å; I31-V37 HydrophobicContact CD1-CG2 4.29Å; I31-V37 HydrophobicContact CG2-CG2 4.19Å; Q35-V37 HydrophobicContact CG-CG2 3.84Å; V37-T48 HydrophobicContact CG2-CG2 3.95Å
38F98Very high94.9Very high0 Ų057 Ų570%031%0.31CS..EExtended strand (participates in β ladder)trans-120.4136.8177-60-73.8000110.1R7 L9 L18 V22 V23 D24 E36 S46 V47 I49R7-F38 VanDerWaalsContact NE-CE1 3.26Å; L9-F38 HydrophobicContact CD2-CE2 3.97Å; L9-F38 HydrophobicContact CD2-CZ 4.09Å; L18-F38 HydrophobicContact CD1-CD1 4.44Å; L18-F38 HydrophobicContact CD1-CD2 3.55Å; L18-F38 HydrophobicContact CD1-CE1 4.46Å; L18-F38 HydrophobicContact CD1-CE2 3.52Å; L18-F38 HydrophobicContact CD1-CG 4.03Å; L18-F38 HydrophobicContact CD1-CZ 4.01Å; V22-F38 HydrophobicContact CB-CB 3.99Å; V22-F38 HydrophobicContact CB-CD1 4.27Å; V22-F38 HydrophobicContact CB-CG 4.39Å; V22-F38 HydrophobicContact CG1-CB 4.05Å; V22-F38 HydrophobicContact CG2-CD1 4.02Å; V22-F38 HydrophobicContact CG2-CG 4.43Å; V23-F38 CarbonylContact O-C 3.56Å; V23-F38 WeakPolarHBondContact O-CA 3.39Å; D24-F38 HydrophobicContact CB-CD1 4.34Å; D24-F38 HydrophobicContact CB-CE1 4.15Å; E36-F38 HydrophobicContact CB-CE2 3.91Å; E36-F38 HydrophobicContact CB-CZ 4.24Å; E36-F38 VanDerWaalsContact OE2-CZ 3.3Å; E36-F38 WeakPolarHBondContact OE2-CZ 3.38Å; F38-S46 CarbonylContact O-C 3.54Å; F38-S46 VanDerWaalsContact O-CA 3.23Å; F38-S46 WeakPolarHBondContact O-CA 3.4Å; F38-S46 WeakPolarHBondContact O-CB 3.35Å; F38-V47 HydrophobicContact CB-CG1 3.68Å; F38-V47 HydrophobicContact CD2-CG1 4.21Å; F38-V47 HydrophobicContact CG-CG1 4.38Å; F38-V47 PolarHBondContact N-O 3.35Å; F38-V47 PolarHBondContact O-N 2.71Å; F38-I49 HydrophobicContact CD2-CD1 3.96Å; F38-I49 HydrophobicContact CE2-CD1 3.91Å
39V96.5Very high95.1Very high42 Ų4250.6 Ų50.626%0.25528%0.276SS..EExtended strand (participates in β ladder)trans-119.2149.5-179.5-59.10000110.9V23V23-V39 HydrophobicContact CB-CG2 3.93Å; V23-V39 HydrophobicContact CG1-CG2 4.38Å; V23-V39 PolarHBondContact N-O 2.93Å; V23-V39 PolarHBondContact O-N 3.22Å
40H94.3Very high95.3Very high6 Ų646.1 Ų46.13%0.02826%0.261CS..  trans-74.1137.4168.5-170.2-78.4000109.8N21 S42 T43 Q45 T175 L177 W179N21-H40 PolarHBondContact ND2-CD2 3.37Å; N21-H40 PolarHBondContact ND2-NE2 2.77Å; H40-S42 VanDerWaalsContact C-N 3.34Å; H40-S42 PolarHBondContact ND1-N 2.92Å; H40-S42 PolarHBondContact O-N 2.73Å; H40-T43 WeakPolarHBondContact CB-OG1 3.41Å; H40-T43 WeakPolarHBondContact ND1-CG2 3.17Å; H40-T43 PolarHBondContact ND1-N 2.77Å; H40-T43 PolarHBondContact ND1-OG1 2.98Å; H40-T43 VanDerWaalsContact ND1-OG1 3.14Å; H40-Q45 HydrophobicContact CB-CB 4.03Å; H40-Q45 WeakPolarHBondContact CB-O 3.28Å; H40-Q45 PolarHBondContact N-O 3.23Å; H40-T175 PolarHBondContact CE1-O 2.62Å; H40-L177 PolarHBondContact NE2-O 2.81Å; H40-W179 HydrophobicContact CB-CH2 4.25Å; H40-W179 HydrophobicContact CB-CZ2 3.89Å; H40-W179 AromaticContact CD2-CD1 3.91Å; H40-W179 AromaticContact CD2-CE2 3.75Å; H40-W179 AromaticContact CD2-NE1 3.46Å; H40-W179 PolarHBondContact CD2-NE1 3Å
41P90.6Very high95.4Very high64 Ų6438.2 Ų38.242%0.41623%0.225SC..SBendtrans-68.7-29.9-173.624.2-34.8000113.9N21 V23N21-P41 WeakPolarHBondContact O-CD 3.34Å; V23-P41 HydrophobicContact CG2-CB 4.01Å
42S88.7Confident95.5Very high69 Ų6939.1 Ų39.148%0.48323%0.23SC..SBendtrans-120.1-2.4-173-52.20000114.8H40 D176H40-S42 VanDerWaalsContact C-N 3.34Å; H40-S42 PolarHBondContact ND1-N 2.92Å; H40-S42 PolarHBondContact O-N 2.73Å; S42-D176 PolarHBondContact OG-OD1 2.99Å
43T89.8Confident95.5Very high30 Ų3044.2 Ų44.218%0.18425%0.248CC..SBendtrans-130.7171.6-176.175.30000108.7H40 Q45 T178H40-T43 WeakPolarHBondContact CB-OG1 3.41Å; H40-T43 WeakPolarHBondContact ND1-CG2 3.17Å; H40-T43 PolarHBondContact ND1-N 2.77Å; H40-T43 PolarHBondContact ND1-OG1 2.98Å; H40-T43 VanDerWaalsContact ND1-OG1 3.14Å; T43-Q45 PolarHBondContact O-N 3.3Å; T43-Q45 WeakPolarHBondContact OG1-CB 3.49Å; T43-Q45 PolarHBondContact OG1-N 3.05Å; T43-Q45 PolarHBondContact OG1-OE1 3.28Å; T43-T178 HydrophobicContact CG2-CG2 3.78Å
44S90.4Very high95.6Very high82 Ų8239.1 Ų39.157%0.57322%0.217SC*.SBendtrans-87.715.2175.8-570000113P143S44-P143 WeakPolarHBondContact O-CD 3.32Å
45Q94.3Very high95.7Very high2 Ų237 Ų371%0.00921%0.206CC..  trans-75.8141.8175.9-69.9175-5500110.9H40 T43 N141 D142 T178 W179H40-Q45 HydrophobicContact CB-CB 4.03Å; H40-Q45 WeakPolarHBondContact CB-O 3.28Å; H40-Q45 PolarHBondContact N-O 3.23Å; T43-Q45 PolarHBondContact O-N 3.3Å; T43-Q45 WeakPolarHBondContact OG1-CB 3.49Å; T43-Q45 PolarHBondContact OG1-N 3.05Å; T43-Q45 PolarHBondContact OG1-OE1 3.28Å; Q45-N141 VanDerWaalsContact CA-O 3.27Å; Q45-N141 WeakPolarHBondContact CA-O 3.22Å; Q45-D142 HydrophobicContact CG-CB 4.21Å; Q45-D142 WeakPolarHBondContact CG-OD1 3.17Å; Q45-D142 PolarHBondContact NE2-OD1 3.04Å; Q45-D142 PolarHBondContact NE2-OD2 3.46Å; Q45-T178 VanDerWaalsContact OE1-CA 3.29Å; Q45-W179 HydrophobicContact CB-CD2 4.35Å; Q45-W179 HydrophobicContact CB-CE3 3.75Å; Q45-W179 HydrophobicContact CB-CZ3 3.86Å; Q45-W179 PolarHBondContact NE2-O 2.95Å; Q45-W179 VanDerWaalsContact NE2-O 3.1Å
46S96.5Very high95.6Very high20 Ų2042.1 Ų42.114%0.1424%0.235CC..EExtended strand (participates in β ladder)trans-145.4152.917456.40000110.7F38 V140 N141F38-S46 CarbonylContact O-C 3.54Å; F38-S46 VanDerWaalsContact O-CA 3.23Å; F38-S46 WeakPolarHBondContact O-CA 3.4Å; F38-S46 WeakPolarHBondContact O-CB 3.35Å; S46-V140 CarbonylContact O-C 3.6Å; S46-V140 VanDerWaalsContact O-CA 3.25Å; S46-V140 WeakPolarHBondContact O-CA 3.39Å; S46-N141 PolarHBondContact N-O 3.1Å; S46-N141 VanDerWaalsContact N-O 3.09Å; S46-N141 PolarHBondContact O-N 3.08Å; S46-N141 PolarHBondContact OG-ND2 3.08Å
47V97.8Very high95.5Very high0 Ų041.2 Ų41.20%023%0.234CC..EExtended strand (participates in β ladder)trans-124.7130.3169.658.10000108.8L18 F38 I49 V138 V139 V140 W179 M187L18-V47 HydrophobicContact CD2-CG1 3.97Å; F38-V47 HydrophobicContact CB-CG1 3.68Å; F38-V47 HydrophobicContact CD2-CG1 4.21Å; F38-V47 HydrophobicContact CG-CG1 4.38Å; F38-V47 PolarHBondContact N-O 3.35Å; F38-V47 PolarHBondContact O-N 2.71Å; V47-I49 HydrophobicContact CG2-CD1 4.23Å; V47-V138 HydrophobicContact CG2-CG1 3.85Å; V47-V139 CarbonylContact C-O 3.56Å; V47-V139 VanDerWaalsContact CA-O 3.27Å; V47-V139 WeakPolarHBondContact CA-O 3.41Å; V47-V140 HydrophobicContact CB-CG2 4.04Å; V47-V140 HydrophobicContact CG2-CG2 3.85Å; V47-W179 HydrophobicContact CB-CZ3 4.28Å; V47-W179 HydrophobicContact CG1-CH2 4.13Å; V47-W179 HydrophobicContact CG1-CZ3 4.25Å; V47-M187 HydrophobicContact CB-SD 4.21Å; V47-M187 HydrophobicContact CG1-SD 4.04Å; V47-M187 HydrophobicContact CG2-SD 4.35Å
48T98.2Very high95.3Very high19 Ų1948 Ų4812%0.11727%0.27CS..EExtended strand (participates in β ladder)trans-117.8136.3178-590000108.5Q35 E36 V37 D50 V138 V139Q35-T48 HydrophobicContact CG-CG2 3.7Å; E36-T48 CarbonylContact O-C 3.53Å; E36-T48 WeakPolarHBondContact O-CA 2.87Å; V37-T48 HydrophobicContact CG2-CG2 3.95Å; T48-D50 HydrophobicContact CG2-CB 4.42Å; T48-V138 CarbonylContact O-C 3.58Å; T48-V138 WeakPolarHBondContact O-CA 3.46Å; T48-V139 PolarHBondContact N-O 2.99Å; T48-V139 PolarHBondContact O-N 2.9Å
49I98.6Very high95.1Very high0 Ų051.1 Ų51.10%029%0.287CS..EExtended strand (participates in β ladder)trans-114.9122.7168.7-57.585.5000106.5L9 F10 Q35 E36 F38 V47 V136 L137 V138 L191L9-I49 HydrophobicContact CD1-CB 4.21Å; L9-I49 HydrophobicContact CD1-CD1 4.08Å; L9-I49 HydrophobicContact CD1-CG1 3.83Å; L9-I49 HydrophobicContact CD1-CG2 4.13Å; F10-I49 HydrophobicContact CE2-CB 4.41Å; F10-I49 HydrophobicContact CE2-CG2 3.76Å; F10-I49 HydrophobicContact CZ-CB 4.49Å; F10-I49 HydrophobicContact CZ-CG2 4.15Å; Q35-I49 CarbonylContact C-O 3.48Å; Q35-I49 WeakPolarHBondContact CA-O 3.49Å; E36-I49 PolarHBondContact N-O 3.5Å; E36-I49 PolarHBondContact O-N 2.95Å; F38-I49 HydrophobicContact CD2-CD1 3.96Å; F38-I49 HydrophobicContact CE2-CD1 3.91Å; V47-I49 HydrophobicContact CG2-CD1 4.23Å; I49-V136 HydrophobicContact CG2-CG1 4.05Å; I49-L137 CarbonylContact C-O 3.56Å; I49-L137 VanDerWaalsContact CA-O 3.26Å; I49-L137 WeakPolarHBondContact CA-O 3.43Å; I49-V138 HydrophobicContact CG1-CG1 4.39Å; I49-V138 HydrophobicContact CG1-CG2 4.27Å; I49-L191 HydrophobicContact CG2-CD1 4.16Å
50D97.9Very high95Very high27 Ų2752.3 Ų52.314%0.14429%0.289CS..EExtended strand (participates in β ladder)trans-132.6128.9-172.9-152.7-23.4000110.5N34 Q35 T48 L52 V136 L137N34-D50 PolarHBondContact ND2-OD1 2.98Å; Q35-D50 HydrophobicContact CG-CB 4.46Å; Q35-D50 PolarHBondContact NE2-OD2 2.81Å; T48-D50 HydrophobicContact CG2-CB 4.42Å; D50-L52 HydrophobicContact CB-CG 4.48Å; D50-V136 CarbonylContact O-C 3.56Å; D50-V136 WeakPolarHBondContact O-CA 3.43Å; D50-L137 PolarHBondContact N-O 3.24Å; D50-L137 PolarHBondContact O-N 2.98Å
51I97.9Very high95.2Very high24 Ų2454.9 Ų54.912%0.12330%0.302CS..EExtended strand (participates in β ladder)trans-97.6116.2175.7-56.5174.5000107.7F10 F14 N34 V136 I198 F199F10-I51 HydrophobicContact CD1-CD1 4.09Å; F10-I51 HydrophobicContact CD2-CD1 3.93Å; F10-I51 HydrophobicContact CE1-CD1 4.06Å; F10-I51 HydrophobicContact CE1-CG1 4.39Å; F10-I51 HydrophobicContact CE2-CD1 3.89Å; F10-I51 HydrophobicContact CE2-CG1 4.08Å; F10-I51 HydrophobicContact CG-CD1 4.03Å; F10-I51 HydrophobicContact CZ-CD1 3.95Å; F10-I51 HydrophobicContact CZ-CG1 3.96Å; F14-I51 HydrophobicContact CD2-CD1 4.29Å; F14-I51 HydrophobicContact CE2-CD1 3.86Å; F14-I51 HydrophobicContact CE2-CG1 4.45Å; N34-I51 HydrophobicContact CB-CB 4.4Å; N34-I51 PolarHBondContact ND2-O 2.97Å; N34-I51 PolarHBondContact O-N 2.89Å; I51-V136 HydrophobicContact CG1-CG1 4.3Å; I51-V136 HydrophobicContact CG1-CG2 4.15Å; I51-V136 HydrophobicContact CG2-CG2 4.38Å; I51-I198 HydrophobicContact CD1-CD1 3.44Å; I51-I198 VanDerWaalsContact CD1-CD1 3.44Å; I51-I198 HydrophobicContact CD1-CG1 4.08Å; I51-F199 HydrophobicContact CG2-CE1 4.01Å
52L97.3Very high95.5Very high47 Ų4753.5 Ų53.525%0.24629%0.291CS..EExtended strand (participates in β ladder)trans-119.6161.3-174-59.5175.1000111D50 A134 D135 L137D50-L52 HydrophobicContact CB-CG 4.48Å; L52-A134 WeakPolarHBondContact O-CA 3.3Å; L52-D135 PolarHBondContact N-O 2.82Å; L52-D135 PolarHBondContact O-N 2.89Å; L52-L137 HydrophobicContact CD1-CD1 3.46Å; L52-L137 VanDerWaalsContact CD1-CD1 3.46Å; L52-L137 HydrophobicContact CD1-CG 3.92Å
53E95.6Very high96Very high175 Ų17550.2 Ų50.282%0.81827%0.268SS*.EExtended strand (participates in β ladder)trans-62.6145.9167.1-64.7-175.217300110.2V55E53-V55 PolarHBondContact O-N 2.88Å
54Y96.7Very high96.4Very high56 Ų5648.8 Ų48.822%0.2226%0.259CS..PPolyproline II helixtrans-65.7122.6176.8-175.8-87.4000111.5R128 Q133Y54-R128 VanDerWaalsContact CE1-NH2 3.33Å; Y54-R128 HydrophobicContact CE2-CB 4.42Å; Y54-R128 PolarHBondContact OH-NH1 3.31Å; Y54-Q133 WeakPolarHBondContact CB-O 3.48Å; Y54-Q133 PolarHBondContact N-O 2.83Å; Y54-Q133 VanDerWaalsContact N-O 3.1Å
55V97.1Very high96.7Very high26 Ų2649.2 Ų49.216%0.15825%0.248CC..PPolyproline II helixtrans-80128.4177.781.70000110.7E53 A57 A63 M66 R128 D135E53-V55 PolarHBondContact O-N 2.88Å; V55-A57 HydrophobicContact CG1-CB 4.25Å; V55-A57 PolarHBondContact O-N 3.32Å; V55-A63 HydrophobicContact CG1-CB 3.38Å; V55-M66 HydrophobicContact CG2-CB 4.34Å; V55-M66 HydrophobicContact CG2-SD 3.72Å; V55-R128 PolarHBondContact O-NH2 3.49Å; V55-D135 PolarHBondContact N-OD2 3.14Å
56D95.6Very high96.9Very high152 Ų15252.2 Ų52.281%0.81326%0.263SS*.  trans-74.9107.9173.9-171.615.1000109.8
57A95.6Very high97Very high18 Ų1851.5 Ų51.515%0.14926%0.257CS..  trans-138.9152.2-17400000111.2V55 N59 D62 A63 M66V55-A57 HydrophobicContact CG1-CB 4.25Å; V55-A57 PolarHBondContact O-N 3.32Å; A57-N59 PolarHBondContact O-N 2.99Å; A57-N59 VanDerWaalsContact O-N 3.15Å; A57-D62 HydrophobicContact CB-CB 4.14Å; A57-A63 HydrophobicContact CB-CB 3.79Å; A57-M66 HydrophobicContact CB-CE 3.33Å; A57-M66 HydrophobicContact CB-SD 4.44Å
58N94.1Very high96.9Very high148 Ų14851.5 Ų51.579%0.79126%0.257SS*.SBendtrans-61.4-29.9-177.4-50.5-60.2000113.1D62N58-D62 WeakPolarHBondContact CB-OD2 3.41Å; N58-D62 PolarHBondContact ND2-OD2 2.82Å; N58-D62 VanDerWaalsContact ND2-OD2 3.08Å
59N94.6Very high96.9Very high67 Ų6754.5 Ų54.536%0.35827%0.273SS..SBendtrans-158.1173.3179.261.169.7000110.2A57 E61 D62 A63A57-N59 PolarHBondContact O-N 2.99Å; A57-N59 VanDerWaalsContact O-N 3.15Å; N59-E61 VanDerWaalsContact C-N 3.28Å; N59-E61 PolarHBondContact O-N 2.83Å; N59-E61 WeakPolarHBondContact OD1-CA 3.49Å; N59-E61 WeakPolarHBondContact OD1-CB 3.31Å; N59-E61 PolarHBondContact OD1-N 2.83Å; N59-D62 VanDerWaalsContact ND2-CG 3.34Å; N59-D62 PolarHBondContact ND2-OD2 3.47Å; N59-D62 PolarHBondContact O-N 2.84Å; N59-D62 PolarHBondContact OD1-N 2.88Å; N59-A63 PolarHBondContact O-N 3.18Å; N59-A63 VanDerWaalsContact O-N 3.13Å
60H94.5Very high96.7Very high67 Ų6759.5 Ų59.531%0.3130%0.296SS..Hα-helixtrans-65.6-31.3-176.1-58.3-170.9000112.7A63 A64 S99 V101H60-A63 PolarHBondContact O-N 3.01Å; H60-A64 PolarHBondContact O-N 3.28Å; H60-A64 VanDerWaalsContact O-N 3.14Å; H60-S99 PolarHBondContact ND1-OG 3.19Å; H60-V101 HydrophobicContact CB-CG2 3.5Å
61E97.1Very high96.6Very high60 Ų6059.5 Ų59.528%0.2830%0.296SS..Hα-helixtrans-73.4-37.3178.7-71.2-176.8-17600111.7N59 A63 A64 R65 L85 T87 V101N59-E61 VanDerWaalsContact C-N 3.28Å; N59-E61 PolarHBondContact O-N 2.83Å; N59-E61 WeakPolarHBondContact OD1-CA 3.49Å; N59-E61 WeakPolarHBondContact OD1-CB 3.31Å; N59-E61 PolarHBondContact OD1-N 2.83Å; E61-A63 VanDerWaalsContact C-N 3.34Å; E61-A64 PolarHBondContact O-N 3.44Å; E61-R65 WeakPolarHBondContact O-CG 3.31Å; E61-R65 PolarHBondContact O-N 3.48Å; E61-L85 HydrophobicContact CB-CD2 3.74Å; E61-L85 HydrophobicContact CB-CG 4.16Å; E61-L85 HydrophobicContact CG-CD1 4.48Å; E61-L85 HydrophobicContact CG-CD2 4.18Å; E61-L85 HydrophobicContact CG-CG 4.06Å; E61-T87 PolarHBondContact OE1-OG1 3.1Å; E61-V101 HydrophobicContact CG-CG1 4.22Å
62D97.6Very high96.3Very high35 Ų3558.9 Ų58.919%0.18729%0.293CS..Hα-helixtrans-64.4-39172.5-73.2-8.6000111.5A57 N58 N59 A64 R65 M66A57-D62 HydrophobicContact CB-CB 4.14Å; N58-D62 WeakPolarHBondContact CB-OD2 3.41Å; N58-D62 PolarHBondContact ND2-OD2 2.82Å; N58-D62 VanDerWaalsContact ND2-OD2 3.08Å; N59-D62 VanDerWaalsContact ND2-CG 3.34Å; N59-D62 PolarHBondContact ND2-OD2 3.47Å; N59-D62 PolarHBondContact O-N 2.84Å; N59-D62 PolarHBondContact OD1-N 2.88Å; D62-A64 VanDerWaalsContact C-N 3.34Å; D62-A64 PolarHBondContact O-N 3.28Å; D62-R65 PolarHBondContact O-N 2.88Å; D62-R65 IonicContact OD1-CZ 2.7Å; D62-R65 IonicContact OD1-NH1 2.7Å; D62-R65 PolarHBondContact OD1-NH1 2.85Å; D62-M66 HydrophobicContact CB-CE 4.3Å; D62-M66 WeakPolarHBondContact O-CG 3.32Å; D62-M66 PolarHBondContact O-N 3.18Å
63A98Very high96.1Very high0 Ų061.8 Ų61.80%031%0.313CS..Hα-helixtrans-59.3-45172.500000111.7V55 A57 N59 H60 E61 R65 M66 H67 L126 R128V55-A63 HydrophobicContact CG1-CB 3.38Å; A57-A63 HydrophobicContact CB-CB 3.79Å; N59-A63 PolarHBondContact O-N 3.18Å; N59-A63 VanDerWaalsContact O-N 3.13Å; H60-A63 PolarHBondContact O-N 3.01Å; E61-A63 VanDerWaalsContact C-N 3.34Å; A63-R65 VanDerWaalsContact C-N 3.31Å; A63-R65 PolarHBondContact O-N 2.9Å; A63-M66 PolarHBondContact O-N 2.85Å; A63-H67 PolarHBondContact O-CD2 3.17Å; A63-H67 PolarHBondContact O-N 3.48Å; A63-L126 HydrophobicContact CB-CD2 3.83Å; A63-R128 VanDerWaalsContact CB-CZ 3.49Å
64A98.1Very high95.8Very high0 Ų058 Ų580%031%0.306CS..Hα-helixtrans-63.1-35.8176.100000112.6H60 E61 D62 F68 L85 V101 L103 M124 L126H60-A64 PolarHBondContact O-N 3.28Å; H60-A64 VanDerWaalsContact O-N 3.14Å; E61-A64 PolarHBondContact O-N 3.44Å; D62-A64 VanDerWaalsContact C-N 3.34Å; D62-A64 PolarHBondContact O-N 3.28Å; A64-F68 WeakPolarHBondContact O-CB 3.41Å; A64-F68 PolarHBondContact O-N 2.86Å; A64-L85 HydrophobicContact CB-CD1 4.05Å; A64-V101 HydrophobicContact CB-CB 4.18Å; A64-V101 HydrophobicContact CB-CG1 3.59Å; A64-L103 HydrophobicContact CB-CD1 4.38Å; A64-M124 HydrophobicContact CB-CE 3.86Å; A64-M124 VanDerWaalsContact O-CE 3.26Å; A64-M124 WeakPolarHBondContact O-CE 3.27Å; A64-L126 HydrophobicContact CB-CD2 3.95Å
65R98.1Very high95.4Very high90 Ų9058.4 Ų58.434%0.3431%0.312SS..Hα-helixtrans-63.2-45.6173.8-68.3177.4-175.899.53111.5E61 D62 A63 F68 D69 I82 L85E61-R65 WeakPolarHBondContact O-CG 3.31Å; E61-R65 PolarHBondContact O-N 3.48Å; D62-R65 PolarHBondContact O-N 2.88Å; D62-R65 IonicContact OD1-CZ 2.7Å; D62-R65 IonicContact OD1-NH1 2.7Å; D62-R65 PolarHBondContact OD1-NH1 2.85Å; A63-R65 VanDerWaalsContact C-N 3.31Å; A63-R65 PolarHBondContact O-N 2.9Å; R65-F68 PolarHBondContact O-N 3.08Å; R65-D69 VanDerWaalsContact O-CG 3.29Å; R65-D69 PolarHBondContact O-N 2.9Å; R65-I82 HydrophobicContact CB-CD1 4.44Å; R65-I82 HydrophobicContact CG-CD1 3.84Å; R65-L85 HydrophobicContact CG-CD2 4.03Å
66M98Very high94.9Very high65 Ų6565.1 Ų65.132%0.3234%0.342SS..Hα-helixtrans-60.4-48.2178.6-68.6-178-133.100112V55 A57 D62 A63 F68 D69 E70V55-M66 HydrophobicContact CG2-CB 4.34Å; V55-M66 HydrophobicContact CG2-SD 3.72Å; A57-M66 HydrophobicContact CB-CE 3.33Å; A57-M66 HydrophobicContact CB-SD 4.44Å; D62-M66 HydrophobicContact CB-CE 4.3Å; D62-M66 WeakPolarHBondContact O-CG 3.32Å; D62-M66 PolarHBondContact O-N 3.18Å; A63-M66 PolarHBondContact O-N 2.85Å; M66-F68 VanDerWaalsContact C-N 3.3Å; M66-F68 PolarHBondContact O-N 3.15Å; M66-D69 PolarHBondContact O-N 3.34Å; M66-D69 VanDerWaalsContact O-N 3.16Å; M66-E70 WeakPolarHBondContact O-CG 3.27Å; M66-E70 PolarHBondContact O-N 3.48Å
67H98Very high94.5Very high5 Ų559 Ų592%0.02331%0.312CS..Hα-helixtrans-58.7-40.7175.4-77.1-59.3000112.3A63 E70 I71 M124 D135 L137A63-H67 PolarHBondContact O-CD2 3.17Å; A63-H67 PolarHBondContact O-N 3.48Å; H67-E70 PolarHBondContact O-N 3.06Å; H67-I71 VanDerWaalsContact O-CG1 3.3Å; H67-I71 WeakPolarHBondContact O-CG1 3.27Å; H67-I71 PolarHBondContact O-N 3.49Å; H67-M124 HydrophobicContact CB-CE 4.41Å; H67-M124 HydrophobicContact CB-SD 4.29Å; H67-D135 IonicContact CD2-OD2 2.89Å; H67-D135 IonicContact CE1-OD2 3.81Å; H67-D135 IonicContact NE2-OD2 3.5Å; H67-D135 PolarHBondContact NE2-OD2 3.41Å; H67-L137 HydrophobicContact CB-CD1 3.89Å; H67-L137 HydrophobicContact CB-CD2 4.25Å
68F97.3Very high94.1Very high1 Ų161.6 Ų61.60%0.00433%0.326CS..Hα-helixtrans-64.8-38.9176.5-177-101.5000112.8A64 R65 M66 I71 S72 I82 L103 Q107 I122 M124A64-F68 WeakPolarHBondContact O-CB 3.41Å; A64-F68 PolarHBondContact O-N 2.86Å; R65-F68 PolarHBondContact O-N 3.08Å; M66-F68 VanDerWaalsContact C-N 3.3Å; M66-F68 PolarHBondContact O-N 3.15Å; F68-I71 PolarHBondContact O-N 3.13Å; F68-S72 WeakPolarHBondContact O-CB 3.39Å; F68-S72 PolarHBondContact O-N 3.35Å; F68-I82 HydrophobicContact CD1-CD1 4.04Å; F68-I82 HydrophobicContact CD1-CG1 3.68Å; F68-I82 HydrophobicContact CE1-CG1 3.75Å; F68-I82 HydrophobicContact CG-CG1 4.35Å; F68-I82 HydrophobicContact CZ-CG1 4.47Å; F68-L103 HydrophobicContact CB-CD1 3.8Å; F68-L103 HydrophobicContact CB-CD2 4.24Å; F68-L103 HydrophobicContact CD2-CD1 4.43Å; F68-L103 HydrophobicContact CD2-CD2 3.35Å; F68-L103 HydrophobicContact CE2-CD2 3.75Å; F68-L103 HydrophobicContact CG-CD1 4.1Å; F68-L103 HydrophobicContact CG-CD2 3.81Å; F68-Q107 HydrophobicContact CZ-CG 4.19Å; F68-I122 HydrophobicContact CD2-CG2 4.39Å; F68-I122 HydrophobicContact CE2-CB 4.02Å; F68-I122 HydrophobicContact CE2-CD1 4.16Å; F68-I122 HydrophobicContact CE2-CG2 4.11Å; F68-M124 HydrophobicContact CB-CE 4.41Å
69D96.6Very high93.9Very high82 Ų8258.9 Ų58.944%0.43931%0.312SS..Hα-helixtrans-68.4-35.6176.7-67.7-18.8000111.7R65 M66 S72 T73R65-D69 VanDerWaalsContact O-CG 3.29Å; R65-D69 PolarHBondContact O-N 2.9Å; M66-D69 PolarHBondContact O-N 3.34Å; M66-D69 VanDerWaalsContact O-N 3.16Å; D69-S72 WeakPolarHBondContact O-CB 3.38Å; D69-S72 PolarHBondContact O-N 3.33Å; D69-T73 PolarHBondContact O-N 3.02Å; D69-T73 PolarHBondContact O-OG1 2.84Å
70E95.7Very high93.8Very high104 Ų10457.5 Ų57.549%0.48631%0.307SS..Hα-helixtrans-65.9-41.9173.4-73.3179-175.800112.3M66 H67 S72 T73 S74M66-E70 WeakPolarHBondContact O-CG 3.27Å; M66-E70 PolarHBondContact O-N 3.48Å; H67-E70 PolarHBondContact O-N 3.06Å; E70-S72 VanDerWaalsContact C-N 3.3Å; E70-S72 PolarHBondContact O-N 3.25Å; E70-T73 PolarHBondContact O-N 3.41Å; E70-S74 WeakPolarHBondContact O-CB 3.26Å; E70-S74 PolarHBondContact O-N 3.2Å; E70-S74 PolarHBondContact O-OG 2.93Å
71I94.3Very high93.8Very high28 Ų2856.2 Ų56.214%0.14431%0.306CS..Hα-helixtrans-61.3-43172.8-66.6163.9000110.1H67 F68 T73 S74 N75 I122 M124 L137 V139H67-I71 VanDerWaalsContact O-CG1 3.3Å; H67-I71 WeakPolarHBondContact O-CG1 3.27Å; H67-I71 PolarHBondContact O-N 3.49Å; F68-I71 PolarHBondContact O-N 3.13Å; I71-T73 VanDerWaalsContact C-N 3.34Å; I71-T73 PolarHBondContact O-N 2.85Å; I71-S74 PolarHBondContact O-N 2.79Å; I71-N75 WeakPolarHBondContact O-CB 3.46Å; I71-N75 PolarHBondContact O-N 3.22Å; I71-N75 PolarHBondContact O-ND2 3.35Å; I71-I122 HydrophobicContact CG2-CD1 4.06Å; I71-M124 HydrophobicContact CD1-SD 4.03Å; I71-L137 HydrophobicContact CD1-CD1 4.37Å; I71-V139 HydrophobicContact CD1-CG1 4.34Å; I71-V139 HydrophobicContact CD1-CG2 3.91Å
72S92.5Very high93.7Very high10 Ų1056.3 Ų56.37%0.0731%0.308CS..Hα-helixtrans-58.8-45.8177.1-168.60000112.2F68 D69 E70 N75 E76 A77 S80 Q107F68-S72 WeakPolarHBondContact O-CB 3.39Å; F68-S72 PolarHBondContact O-N 3.35Å; D69-S72 WeakPolarHBondContact O-CB 3.38Å; D69-S72 PolarHBondContact O-N 3.33Å; E70-S72 VanDerWaalsContact C-N 3.3Å; E70-S72 PolarHBondContact O-N 3.25Å; S72-N75 PolarHBondContact O-N 3.47Å; S72-E76 PolarHBondContact O-N 3.07Å; S72-A77 WeakPolarHBondContact O-CB 3.05Å; S72-A77 PolarHBondContact O-N 2.85Å; S72-A77 WeakPolarHBondContact OG-CB 3.42Å; S72-S80 WeakPolarHBondContact OG-CB 3.39Å; S72-S80 PolarHBondContact OG-OG 2.89Å; S72-S80 VanDerWaalsContact OG-OG 3.09Å; S72-Q107 VanDerWaalsContact CB-NE2 3.28Å
73T92.2Very high93.6Very high109 Ų10957 Ų5767%0.66932%0.315SS*.Hα-helixtrans-63.9-43.8176.7-56.90000111.3D69 E70 I71 N75 E76D69-T73 PolarHBondContact O-N 3.02Å; D69-T73 PolarHBondContact O-OG1 2.84Å; E70-T73 PolarHBondContact O-N 3.41Å; I71-T73 VanDerWaalsContact C-N 3.34Å; I71-T73 PolarHBondContact O-N 2.85Å; T73-N75 VanDerWaalsContact C-N 3.28Å; T73-N75 PolarHBondContact O-N 2.88Å; T73-E76 PolarHBondContact O-N 2.9Å
74S89.7Confident93.4Very high96 Ų9658.5 Ų58.567%0.67133%0.326SS*.Hα-helixtrans-64.6-32.9179-60.10000112.6E70 I71 E76E70-S74 WeakPolarHBondContact O-CB 3.26Å; E70-S74 PolarHBondContact O-N 3.2Å; E70-S74 PolarHBondContact O-OG 2.93Å; I71-S74 PolarHBondContact O-N 2.79Å; S74-E76 VanDerWaalsContact C-N 3.25Å; S74-E76 PolarHBondContact O-N 2.82Å
75N87.9Confident93.3Very high64 Ų6460.2 Ų60.234%0.34234%0.335SS..THydrogen-bonded Turntrans-82.91.4175.7-71.6-18.9000113.5I71 S72 T73 A77 Q107I71-N75 WeakPolarHBondContact O-CB 3.46Å; I71-N75 PolarHBondContact O-N 3.22Å; I71-N75 PolarHBondContact O-ND2 3.35Å; S72-N75 PolarHBondContact O-N 3.47Å; T73-N75 VanDerWaalsContact C-N 3.28Å; T73-N75 PolarHBondContact O-N 2.88Å; N75-A77 PolarHBondContact O-N 2.89Å; N75-Q107 PolarHBondContact ND2-OE1 2.92Å
76E87.2Confident93.1Very high167 Ų16758.3 Ų58.378%0.7833%0.327SS*.THydrogen-bonded Turntrans51.637.7-174.2-57.3-177.2169.400112.3S72 T73 S74 T78S72-E76 PolarHBondContact O-N 3.07Å; T73-E76 PolarHBondContact O-N 2.9Å; S74-E76 VanDerWaalsContact C-N 3.25Å; S74-E76 PolarHBondContact O-N 2.82Å; E76-T78 PolarHBondContact O-N 2.94Å
77A86.9Confident92.9Very high23 Ų2358.1 Ų58.119%0.1933%0.33CS..EExtended strand (participates in β ladder)trans-65.4135.7-178.300000110.9S72 N75 Q107 N108 V109S72-A77 WeakPolarHBondContact O-CB 3.05Å; S72-A77 PolarHBondContact O-N 2.85Å; S72-A77 WeakPolarHBondContact OG-CB 3.42Å; N75-A77 PolarHBondContact O-N 2.89Å; A77-Q107 HydrophobicContact CB-CB 3.92Å; A77-Q107 HydrophobicContact CB-CG 4.29Å; A77-N108 CarbonylContact C-O 3.55Å; A77-N108 WeakPolarHBondContact CA-O 3.44Å; A77-N108 WeakPolarHBondContact CB-O 3.44Å; A77-V109 HydrophobicContact CB-CG2 4.45Å
78T87.5Confident92.6Very high73 Ų7359.3 Ų59.345%0.44834%0.337SS..EExtended strand (participates in β ladder)trans-77.1-29.9176.352.10000111.9E76 N108 S110 E117E76-T78 PolarHBondContact O-N 2.94Å; T78-N108 PolarHBondContact N-O 3.04Å; T78-N108 PolarHBondContact OG1-O 2.86Å; T78-S110 WeakPolarHBondContact CG2-OG 3.43Å; T78-E117 PolarHBondContact OG1-OE1 3.16Å
79D89.7Confident92.2Very high90 Ų9063.9 Ų63.948%0.48137%0.37SS..EExtended strand (participates in β ladder)trans-149.3149.2176.4-173.432.9000109.9Q107 N108D79-Q107 WeakPolarHBondContact O-CA 3.46Å; D79-N108 HydrophobicContact CB-CB 4.3Å; D79-N108 PolarHBondContact O-N 3.49Å
80S93Very high91.3Very high38 Ų3860.6 Ų60.627%0.26635%0.352SS..EExtended strand (participates in β ladder)trans-147.4136.5177.459.80000111.3S72 K106S72-S80 WeakPolarHBondContact OG-CB 3.39Å; S72-S80 PolarHBondContact OG-OG 2.89Å; S72-S80 VanDerWaalsContact OG-OG 3.09Å; S80-K106 WeakPolarHBondContact CA-O 3.08Å
81S94.4Very high89.9Confident40 Ų4061.3 Ų61.328%0.2836%0.355SS..EExtended strand (participates in β ladder)trans-139.5137.3-17969.20000111.8G105 K106S81-G105 CarbonylContact O-C 3.36Å; S81-G105 WeakPolarHBondContact O-CA 3.47Å; S81-K106 PolarHBondContact N-O 3.26Å; S81-K106 PolarHBondContact O-N 2.97Å; S81-K106 VanDerWaalsContact OG-CE 3.26Å; S81-K106 WeakPolarHBondContact OG-CE 3.16Å; S81-K106 WeakPolarHBondContact OG-CG 3.42Å
82I95.9Very high88.6Confident63 Ų6365.5 Ų65.532%0.32338%0.378SS..EExtended strand (participates in β ladder)trans-91.2128.8173.8-61.4168.5000108.9R65 F68 S84 L85 L103R65-I82 HydrophobicContact CB-CD1 4.44Å; R65-I82 HydrophobicContact CG-CD1 3.84Å; F68-I82 HydrophobicContact CD1-CD1 4.04Å; F68-I82 HydrophobicContact CD1-CG1 3.68Å; F68-I82 HydrophobicContact CE1-CG1 3.75Å; F68-I82 HydrophobicContact CG-CG1 4.35Å; F68-I82 HydrophobicContact CZ-CG1 4.47Å; I82-S84 WeakPolarHBondContact CG2-O 3.48Å; I82-L85 HydrophobicContact CG2-CB 4.25Å; I82-L103 HydrophobicContact CD1-CD1 3.75Å; I82-L103 HydrophobicContact CG1-CD1 4.05Å; I82-L103 HydrophobicContact CG1-CD2 4.43Å; I82-L103 HydrophobicContact CG1-CG 4.39Å; I82-L103 HydrophobicContact CG2-CD1 4.3Å; I82-L103 HydrophobicContact CG2-CG 4.06Å
83S94Very high87.1Confident50 Ų5068.7 Ų68.735%0.3540%0.398SS..EExtended strand (participates in β ladder)trans-104.9-26177.150.90000114.3S104 D147 G148S83-S104 PolarHBondContact N-O 3.16Å; S83-S104 PolarHBondContact OG-O 2.89Å; S83-S104 PolarHBondContact OG-OG 3Å; S83-D147 WeakPolarHBondContact CB-OD1 3.35Å; S83-D147 PolarHBondContact OG-OD1 2.79Å; S83-G148 PolarHBondContact OG-N 2.91Å
84S94.4Very high86.1Confident31 Ų3164 Ų6422%0.21737%0.369CS..EExtended strand (participates in β ladder)trans-142.4139.9173.4-159.80000110.1I82 L103 S104I82-S84 WeakPolarHBondContact CG2-O 3.48Å; S84-L103 CarbonylContact O-C 3.57Å; S84-L103 VanDerWaalsContact O-CA 3.3Å; S84-L103 WeakPolarHBondContact O-CA 3.46Å; S84-S104 WeakPolarHBondContact CB-OG 3.34Å; S84-S104 PolarHBondContact N-O 3.08Å; S84-S104 VanDerWaalsContact N-O 3.16Å; S84-S104 PolarHBondContact N-OG 3.07Å; S84-S104 PolarHBondContact O-N 2.99Å
85L95.7Very high85.6Confident35 Ų3564.9 Ų64.918%0.18337%0.373CS..EExtended strand (participates in β ladder)trans-146.4126.8171.4-177.762.1000108.4E61 A64 R65 I82 V101 L102 L103E61-L85 HydrophobicContact CB-CD2 3.74Å; E61-L85 HydrophobicContact CB-CG 4.16Å; E61-L85 HydrophobicContact CG-CD1 4.48Å; E61-L85 HydrophobicContact CG-CD2 4.18Å; E61-L85 HydrophobicContact CG-CG 4.06Å; A64-L85 HydrophobicContact CB-CD1 4.05Å; R65-L85 HydrophobicContact CG-CD2 4.03Å; I82-L85 HydrophobicContact CG2-CB 4.25Å; L85-V101 HydrophobicContact CD1-CG1 3.44Å; L85-V101 VanDerWaalsContact CD1-CG1 3.44Å; L85-V101 HydrophobicContact CG-CG1 4.46Å; L85-L102 WeakPolarHBondContact CA-O 3.15Å; L85-L103 HydrophobicContact CD1-CB 3.86Å; L85-L103 HydrophobicContact CD1-CD1 4.04Å; L85-L103 HydrophobicContact CD1-CG 4.21Å
86R94.1Very high85.6Confident50 Ų5066.2 Ų66.219%0.18937%0.374CS..EExtended strand (participates in β ladder)trans-157.7149.9176.362.7178.5-172.7-98.512112.3V88 V101 L102 I150 S152R86-V88 HydrophobicContact CG-CG1 4.26Å; R86-V101 WeakPolarHBondContact O-CA 3.47Å; R86-L102 HydrophobicContact CG-CB 4.29Å; R86-L102 PolarHBondContact N-O 2.89Å; R86-L102 PolarHBondContact O-N 3.43Å; R86-I150 PolarHBondContact NH1-O 3.14Å; R86-I150 PolarHBondContact NH2-O 3.1Å; R86-S152 PolarHBondContact NH2-OG 2.98Å
87T94.2Very high85.7Confident62 Ų6258.5 Ų58.538%0.3834%0.338SS..EExtended strand (participates in β ladder)trans-91.2133.7168.2-53.80000110.7E61 V101E61-T87 PolarHBondContact OE1-OG1 3.1Å; T87-V101 HydrophobicContact CG2-CG2 4.45Å
88V91.7Very high85.7Confident29 Ų2961.3 Ų61.318%0.17636%0.357CS..EExtended strand (participates in β ladder)trans-124.6140.7175.7-60.50000111R86 S99 V100 L102 L189R86-V88 HydrophobicContact CG-CG1 4.26Å; V88-S99 CarbonylContact O-C 3.59Å; V88-S99 VanDerWaalsContact O-CA 3.27Å; V88-S99 WeakPolarHBondContact O-CA 3.47Å; V88-V100 HydrophobicContact CG2-CB 4.2Å; V88-V100 WeakPolarHBondContact CG2-O 3.43Å; V88-V100 PolarHBondContact N-O 3.47Å; V88-V100 PolarHBondContact O-N 3.48Å; V88-L102 HydrophobicContact CG1-CD1 4.21Å; V88-L102 HydrophobicContact CG2-CD1 4.09Å; V88-L102 HydrophobicContact CG2-CG 4.14Å; V88-L189 HydrophobicContact CG2-CD2 3.77Å
89S88.2Confident85.9Confident97 Ų9758.7 Ų58.768%0.67834%0.341SS*.EExtended strand (participates in β ladder)trans-77.7138.1172.5-57.80000111
90L79.1Confident86.1Confident13 Ų1354.4 Ų54.47%0.06832%0.318CS..EExtended strand (participates in β ladder)trans-77.5133172.7-69.6177.2000110.4C97 S98 V100 Y127L90-C97 WeakPolarHBondContact CD1-O 3.13Å; L90-S98 PolarHBondContact N-O 2.83Å; L90-S98 VanDerWaalsContact N-O 3.07Å; L90-V100 HydrophobicContact CD1-CG2 3.77Å; L90-V100 HydrophobicContact CD2-CG2 3.68Å; L90-V100 HydrophobicContact CG-CG2 3.76Å; L90-Y127 HydrophobicContact CD1-CD1 4.44Å; L90-Y127 HydrophobicContact CD1-CE1 4Å
91H65.8Low86.3Confident119 Ų11952.7 Ų52.755%0.55131%0.306SS*.EExtended strand (participates in β ladder)trans-72-36.5-178.8-80.474.8000113.2P93 Y156 N157H91-P93 WeakPolarHBondContact O-CD 3.5Å; H91-Y156 AromaticContact ND1-CD1 3.83Å; H91-N157 PolarHBondContact NE2-OD1 3.39Å
92N66.6Low86.4Confident116 Ų11650.9 Ų50.962%0.6229%0.293SS*.EExtended strand (participates in β ladder)trans-109.291.7169.3-166.419.1000106.4D94N92-D94 PolarHBondContact O-N 2.71Å
93P61.8Low86.4Confident77 Ų7747.9 Ų47.950%0.528%0.278SS..EExtended strand (participates in β ladder)trans-63.2122-172.423-30.4000109.3H91H91-P93 WeakPolarHBondContact O-CD 3.5Å
94D70.6Confident86.5Confident10 Ų1045.6 Ų45.65%0.05326%0.262CS..EExtended strand (participates in β ladder)trans-57.6124.2154-178.4-27.9000106N92 Y96 C97 Y129 L193N92-D94 PolarHBondContact O-N 2.71Å; D94-Y96 PolarHBondContact O-N 3.23Å; D94-Y96 WeakPolarHBondContact OD1-CD2 3.17Å; D94-Y96 PolarHBondContact OD1-N 3.19Å; D94-C97 HydrophobicContact CB-CB 4.22Å; D94-C97 CarbonylContact O-C 3.51Å; D94-C97 PolarHBondContact O-N 3.21Å; D94-C97 VanDerWaalsContact O-O 3.13Å; D94-Y129 VanDerWaalsContact OD2-CE1 3.24Å; D94-Y129 WeakPolarHBondContact OD2-CE1 3.15Å; D94-Y129 PolarHBondContact OD2-OH 3.14Å; D94-L193 WeakPolarHBondContact OD2-CB 2.93Å; D94-L193 PolarHBondContact OD2-N 3.47Å
95P77.9Confident86.6Confident116 Ų11644.2 Ų44.275%0.75325%0.252SS*.THydrogen-bonded Turntrans-57.1-21.1-17721.7-31.5000112.7
96Y88.4Confident86.5Confident91 Ų9145.3 Ų45.336%0.35726%0.256SS..THydrogen-bonded Turntrans-100.8-7.7-179.8-51.1-75.4000113.9D94 E131 F132 L193D94-Y96 PolarHBondContact O-N 3.23Å; D94-Y96 WeakPolarHBondContact OD1-CD2 3.17Å; D94-Y96 PolarHBondContact OD1-N 3.19Å; Y96-E131 WeakPolarHBondContact CD1-OE2 3.48Å; Y96-F132 AromaticContact CD1-CE2 3.67Å; Y96-F132 HydrophobicContact CD1-CE2 3.67Å; Y96-F132 AromaticContact CD1-CZ 3.71Å; Y96-F132 HydrophobicContact CD1-CZ 3.71Å; Y96-F132 HydrophobicContact CD2-CE2 4.15Å; Y96-F132 HydrophobicContact CE1-CE2 4.2Å; Y96-F132 AromaticContact CE1-CZ 3.79Å; Y96-F132 HydrophobicContact CE1-CZ 3.79Å; Y96-F132 AromaticContact CG-CE2 3.64Å; Y96-F132 HydrophobicContact CG-CE2 3.64Å; Y96-F132 HydrophobicContact CG-CZ 4.09Å; Y96-L193 HydrophobicContact CD2-CD2 3.78Å; Y96-L193 HydrophobicContact CE2-CD2 4.41Å; Y96-L193 HydrophobicContact CG-CD2 4.38Å
97C89.9Confident86.4Confident5 Ų543 Ų433%0.03425%0.247CC..EExtended strand (participates in β ladder)trans-148.7102.8-179.9-177.90000111.3L90 D94 S99 Y129L90-C97 WeakPolarHBondContact CD1-O 3.13Å; D94-C97 HydrophobicContact CB-CB 4.22Å; D94-C97 CarbonylContact O-C 3.51Å; D94-C97 PolarHBondContact O-N 3.21Å; D94-C97 VanDerWaalsContact O-O 3.13Å; C97-S99 PolarHBondContact SG-O 3.14Å; C97-Y129 HydrophobicContact CB-CD1 4.04Å; C97-Y129 HydrophobicContact CB-CE1 3.65Å
98S86.5Confident86.2Confident83 Ų8341.1 Ų41.158%0.5824%0.235SC*.EExtended strand (participates in β ladder)trans-90.8-16.6-175.560.80000114.6L90L90-S98 PolarHBondContact N-O 2.83Å; L90-S98 VanDerWaalsContact N-O 3.07Å
99S91.1Very high85.8Confident18 Ų1841.1 Ų41.113%0.12624%0.235CC..EExtended strand (participates in β ladder)trans-140.4149-176.566.60000111.6H60 V88 C97H60-S99 PolarHBondContact ND1-OG 3.19Å; V88-S99 CarbonylContact O-C 3.59Å; V88-S99 VanDerWaalsContact O-CA 3.27Å; V88-S99 WeakPolarHBondContact O-CA 3.47Å; C97-S99 PolarHBondContact SG-O 3.14Å
100V94.5Very high85.3Confident0 Ų038.5 Ų38.50%022%0.217CC..EExtended strand (participates in β ladder)trans-121.4139.6174.7176.10000108.5V88 L90 L102 A125 L126 Y127 L189V88-V100 HydrophobicContact CG2-CB 4.2Å; V88-V100 WeakPolarHBondContact CG2-O 3.43Å; V88-V100 PolarHBondContact N-O 3.47Å; V88-V100 PolarHBondContact O-N 3.48Å; L90-V100 HydrophobicContact CD1-CG2 3.77Å; L90-V100 HydrophobicContact CD2-CG2 3.68Å; L90-V100 HydrophobicContact CG-CG2 3.76Å; V100-L102 HydrophobicContact CG1-CD2 4.1Å; V100-A125 HydrophobicContact CG1-CB 3.75Å; V100-L126 WeakPolarHBondContact CA-O 3.28Å; V100-Y127 HydrophobicContact CG1-CD2 4.22Å; V100-Y127 HydrophobicContact CG1-CE2 3.92Å; V100-Y127 HydrophobicContact CG2-CD1 3.52Å; V100-Y127 HydrophobicContact CG2-CD2 4.23Å; V100-Y127 HydrophobicContact CG2-CE1 3.28Å; V100-Y127 HydrophobicContact CG2-CE2 4.01Å; V100-Y127 HydrophobicContact CG2-CG 3.99Å; V100-L189 HydrophobicContact CG1-CD2 4.4Å
101V96.5Very high84.8Confident1 Ų143.5 Ų43.51%0.00624%0.238CC..EExtended strand (participates in β ladder)trans-94.9122.6170-1770000108.6H60 E61 A64 L85 R86 T87 A125 L126H60-V101 HydrophobicContact CB-CG2 3.5Å; E61-V101 HydrophobicContact CG-CG1 4.22Å; A64-V101 HydrophobicContact CB-CB 4.18Å; A64-V101 HydrophobicContact CB-CG1 3.59Å; L85-V101 HydrophobicContact CD1-CG1 3.44Å; L85-V101 VanDerWaalsContact CD1-CG1 3.44Å; L85-V101 HydrophobicContact CG-CG1 4.46Å; R86-V101 WeakPolarHBondContact O-CA 3.47Å; T87-V101 HydrophobicContact CG2-CG2 4.45Å; V101-A125 CarbonylContact O-C 3.51Å; V101-A125 WeakPolarHBondContact O-CA 3.25Å; V101-L126 HydrophobicContact CB-CB 4.27Å; V101-L126 PolarHBondContact N-O 2.98Å; V101-L126 PolarHBondContact O-N 3.28Å
102L97.3Very high84.6Confident2 Ų246.9 Ų46.91%0.0125%0.251CS..EExtended strand (participates in β ladder)trans-99.2130.1173.2-63.1179.6000109.4L85 R86 V88 V100 M124 A125 I150 L188 L189L85-L102 WeakPolarHBondContact CA-O 3.15Å; R86-L102 HydrophobicContact CG-CB 4.29Å; R86-L102 PolarHBondContact N-O 2.89Å; R86-L102 PolarHBondContact O-N 3.43Å; V88-L102 HydrophobicContact CG1-CD1 4.21Å; V88-L102 HydrophobicContact CG2-CD1 4.09Å; V88-L102 HydrophobicContact CG2-CG 4.14Å; V100-L102 HydrophobicContact CG1-CD2 4.1Å; L102-M124 WeakPolarHBondContact CA-O 3.32Å; L102-A125 HydrophobicContact CD2-CB 3.75Å; L102-I150 HydrophobicContact CB-CD1 4.1Å; L102-I150 HydrophobicContact CD1-CG2 4.03Å; L102-L188 HydrophobicContact CD2-CB 4.22Å; L102-L189 HydrophobicContact CD1-CD1 4.37Å; L102-L189 HydrophobicContact CD1-CD2 4.09Å; L102-L189 HydrophobicContact CD1-CG 4.43Å; L102-L189 HydrophobicContact CD2-CD2 3.92Å; L102-L189 HydrophobicContact CD2-CG 4.33Å; L102-L189 HydrophobicContact CG-CD2 4.29Å
103L97.1Very high84.2Confident0 Ų049.4 Ų49.40%027%0.265CS..EExtended strand (participates in β ladder)trans-127.5134.2176.6-179.3155.6000109A64 F68 I82 S84 L85 M124A64-L103 HydrophobicContact CB-CD1 4.38Å; F68-L103 HydrophobicContact CB-CD1 3.8Å; F68-L103 HydrophobicContact CB-CD2 4.24Å; F68-L103 HydrophobicContact CD2-CD1 4.43Å; F68-L103 HydrophobicContact CD2-CD2 3.35Å; F68-L103 HydrophobicContact CE2-CD2 3.75Å; F68-L103 HydrophobicContact CG-CD1 4.1Å; F68-L103 HydrophobicContact CG-CD2 3.81Å; I82-L103 HydrophobicContact CD1-CD1 3.75Å; I82-L103 HydrophobicContact CG1-CD1 4.05Å; I82-L103 HydrophobicContact CG1-CD2 4.43Å; I82-L103 HydrophobicContact CG1-CG 4.39Å; I82-L103 HydrophobicContact CG2-CD1 4.3Å; I82-L103 HydrophobicContact CG2-CG 4.06Å; S84-L103 CarbonylContact O-C 3.57Å; S84-L103 VanDerWaalsContact O-CA 3.3Å; S84-L103 WeakPolarHBondContact O-CA 3.46Å; L85-L103 HydrophobicContact CD1-CB 3.86Å; L85-L103 HydrophobicContact CD1-CD1 4.04Å; L85-L103 HydrophobicContact CD1-CG 4.21Å; L103-M124 HydrophobicContact CB-CB 4.35Å; L103-M124 HydrophobicContact CB-CE 3.95Å; L103-M124 HydrophobicContact CD1-CE 3.95Å; L103-M124 HydrophobicContact CD2-CE 4.47Å; L103-M124 HydrophobicContact CG-CE 4.35Å; L103-M124 PolarHBondContact N-O 2.85Å; L103-M124 PolarHBondContact O-N 3.48Å
104S95.8Very high84Confident2 Ų251.8 Ų51.81%0.01427%0.269CS..EExtended strand (participates in β ladder)trans-118.6142.2162.463.90000109.9S83 S84 I122S83-S104 PolarHBondContact N-O 3.16Å; S83-S104 PolarHBondContact OG-O 2.89Å; S83-S104 PolarHBondContact OG-OG 3Å; S84-S104 WeakPolarHBondContact CB-OG 3.34Å; S84-S104 PolarHBondContact N-O 3.08Å; S84-S104 VanDerWaalsContact N-O 3.16Å; S84-S104 PolarHBondContact N-OG 3.07Å; S84-S104 PolarHBondContact O-N 2.99Å; S104-I122 WeakPolarHBondContact CA-O 3.47Å
105G95.2Very high83.5Confident2 Ų256.9 Ų56.92%0.02131%0.305CS..EExtended strand (participates in β ladder)trans-160.1-172.8174.300000111.4S81 I122S81-G105 CarbonylContact O-C 3.36Å; S81-G105 WeakPolarHBondContact O-CA 3.47Å; G105-I122 PolarHBondContact N-O 3.21Å; G105-I122 PolarHBondContact O-N 3.21Å
106K93.6Very high83Confident58 Ų5857 Ų5725%0.25230%0.3SS..EExtended strand (participates in β ladder)trans-138.2154.6173.865.6-174177.1-1530110.4S80 S81 V119 V120 F121 D147S80-K106 WeakPolarHBondContact CA-O 3.08Å; S81-K106 PolarHBondContact N-O 3.26Å; S81-K106 PolarHBondContact O-N 2.97Å; S81-K106 VanDerWaalsContact OG-CE 3.26Å; S81-K106 WeakPolarHBondContact OG-CE 3.16Å; S81-K106 WeakPolarHBondContact OG-CG 3.42Å; K106-V119 HydrophobicContact CB-CG1 4.07Å; K106-V119 HydrophobicContact CD-CG1 4.27Å; K106-V120 CarbonylContact C-O 3.51Å; K106-V120 VanDerWaalsContact CA-O 3.24Å; K106-V120 WeakPolarHBondContact CA-O 3.26Å; K106-F121 HydrophobicContact CB-CD1 4.03Å; K106-F121 HydrophobicContact CB-CE1 4.2Å; K106-F121 HydrophobicContact CD-CE1 4.36Å; K106-D147 IonicContact NZ-OD2 3.99Å; K106-D147 PolarHBondContact NZ-OD2 3.4Å
107Q92.3Very high82.1Confident1 Ų157 Ų571%0.00530%0.303CS..EExtended strand (participates in β ladder)trans-129.1133.8175.1-68178.8-7.300108.8F68 S72 N75 A77 D79 V120 I122F68-Q107 HydrophobicContact CZ-CG 4.19Å; S72-Q107 VanDerWaalsContact CB-NE2 3.28Å; N75-Q107 PolarHBondContact ND2-OE1 2.92Å; A77-Q107 HydrophobicContact CB-CB 3.92Å; A77-Q107 HydrophobicContact CB-CG 4.29Å; D79-Q107 WeakPolarHBondContact O-CA 3.46Å; Q107-V120 PolarHBondContact N-O 3.27Å; Q107-V120 PolarHBondContact O-N 3.47Å; Q107-I122 HydrophobicContact CB-CD1 4.43Å; Q107-I122 HydrophobicContact CG-CD1 3.76Å; Q107-I122 VanDerWaalsContact OE1-CD1 3.27Å
108N89.4Confident81.8Confident23 Ų2360.2 Ų60.212%0.12332%0.32CS..EExtended strand (participates in β ladder)trans-94.8122.1172.1-63.3-16.5000107.8A77 T78 D79 E117A77-N108 CarbonylContact C-O 3.55Å; A77-N108 WeakPolarHBondContact CA-O 3.44Å; A77-N108 WeakPolarHBondContact CB-O 3.44Å; T78-N108 PolarHBondContact N-O 3.04Å; T78-N108 PolarHBondContact OG1-O 2.86Å; D79-N108 HydrophobicContact CB-CB 4.3Å; D79-N108 PolarHBondContact O-N 3.49Å; N108-E117 HydrophobicContact CB-CB 4.17Å; N108-E117 WeakPolarHBondContact CB-OE2 3.35Å; N108-E117 PolarHBondContact ND2-OE2 3.01Å
109V84.6Confident81.9Confident30 Ų3059 Ų5918%0.18231%0.309CS..EExtended strand (participates in β ladder)trans-116.6119-179.5-1760000108.7A77 D118A77-V109 HydrophobicContact CB-CG2 4.45Å; V109-D118 PolarHBondContact N-O 3.35Å; V109-D118 PolarHBondContact O-N 2.97Å
110S78.2Confident82Confident42 Ų4259.5 Ų59.529%0.29431%0.311SS..EExtended strand (participates in β ladder)trans-90.4126.7175.878.20000110.4T78T78-S110 WeakPolarHBondContact CG2-OG 3.43Å
111K66.9Low81.9Confident118 Ų11861.1 Ų61.151%0.51332%0.318SS..SBendtrans-89.1116.9169.6-75.1172.1-179.6149.60109.2N113 Q114 D118K111-N113 PolarHBondContact O-N 3.32Å; K111-Q114 PolarHBondContact O-N 3.42Å; K111-Q114 VanDerWaalsContact O-N 3.14Å; K111-D118 WeakPolarHBondContact CE-OD2 3.41Å; K111-D118 IonicContact NZ-OD2 2.9Å; K111-D118 PolarHBondContact NZ-OD2 2.95Å
112F63.5Low81.9Confident189 Ų18961 Ų6183%0.82932%0.318SS*.THydrogen-bonded Turntrans48.554.2164.7-63.8-82.7000115.1Q114F112-Q114 PolarHBondContact O-N 3.04Å; F112-Q114 VanDerWaalsContact O-N 3.13Å
113N57Low81.9Confident169 Ų16961.1 Ų61.190%0.90432%0.318SS*.THydrogen-bonded Turntrans5920.1177-61.9-40.9000115.6K111K111-N113 PolarHBondContact O-N 3.32Å
114Q57.8Low81.9Confident127 Ų12761.1 Ų61.159%0.59332%0.318SS*.  trans-84.6145.9171.3-62.5-174.931.300110.5K111 F112 N116K111-Q114 PolarHBondContact O-N 3.42Å; K111-Q114 VanDerWaalsContact O-N 3.14Å; F112-Q114 PolarHBondContact O-N 3.04Å; F112-Q114 VanDerWaalsContact O-N 3.13Å; Q114-N116 PolarHBondContact O-N 2.96Å
115S60.9Low81.9Confident117 Ų11761 Ų6182%0.81832%0.318SS*.SBendtrans-72.4-8.5-178.859.20000114.5E117S115-E117 PolarHBondContact O-N 3.37Å
116N65.7Low82.1Confident120 Ų12061 Ų6164%0.64232%0.317SS*.  trans-89.798.5177.4-63.2-18.5000107.4Q114Q114-N116 PolarHBondContact O-N 2.96Å
117E70.3Confident82.2Confident90 Ų9058.2 Ų58.242%0.42131%0.305SS..EExtended strand (participates in β ladder)trans-75.9129.3170.9-63.3-176.515100109T78 N108 S115T78-E117 PolarHBondContact OG1-OE1 3.16Å; N108-E117 HydrophobicContact CB-CB 4.17Å; N108-E117 WeakPolarHBondContact CB-OE2 3.35Å; N108-E117 PolarHBondContact ND2-OE2 3.01Å; S115-E117 PolarHBondContact O-N 3.37Å
118D84.1Confident82.4Confident72 Ų7258.6 Ų58.639%0.38531%0.306SS..EExtended strand (participates in β ladder)trans-79.4123169-73.6-28.4000107.5V109 K111V109-D118 PolarHBondContact N-O 3.35Å; V109-D118 PolarHBondContact O-N 2.97Å; K111-D118 WeakPolarHBondContact CE-OD2 3.41Å; K111-D118 IonicContact NZ-OD2 2.9Å; K111-D118 PolarHBondContact NZ-OD2 2.95Å
119V88.9Confident82.6Confident58 Ų5857.5 Ų57.535%0.35230%0.3SS..EExtended strand (participates in β ladder)trans-90.4125.6174.7-175.30000108.6K106 F121K106-V119 HydrophobicContact CB-CG1 4.07Å; K106-V119 HydrophobicContact CD-CG1 4.27Å; V119-F121 HydrophobicContact CG1-CE2 4.04Å; V119-F121 HydrophobicContact CG1-CZ 4.12Å
120V91.5Very high83Confident29 Ų2959.4 Ų59.418%0.17631%0.312CS..EExtended strand (participates in β ladder)trans-114.2123.1172.4-178.30000108.5K106 Q107 I122 N141K106-V120 CarbonylContact C-O 3.51Å; K106-V120 VanDerWaalsContact CA-O 3.24Å; K106-V120 WeakPolarHBondContact CA-O 3.26Å; Q107-V120 PolarHBondContact N-O 3.27Å; Q107-V120 PolarHBondContact O-N 3.47Å; V120-I122 HydrophobicContact CG1-CG1 4.28Å; V120-N141 HydrophobicContact CG1-CB 4.06Å
121F94.4Very high83.7Confident33 Ų3364.2 Ų64.215%0.14533%0.33CS..EExtended strand (participates in β ladder)trans-83.3138.5169.7-62.1-89.5000109.4K106 V119 Y123 D142 G145 D147K106-F121 HydrophobicContact CB-CD1 4.03Å; K106-F121 HydrophobicContact CB-CE1 4.2Å; K106-F121 HydrophobicContact CD-CE1 4.36Å; V119-F121 HydrophobicContact CG1-CE2 4.04Å; V119-F121 HydrophobicContact CG1-CZ 4.12Å; F121-Y123 HydrophobicContact CB-CE2 4.39Å; F121-D142 VanDerWaalsContact CB-O 3.32Å; F121-D142 WeakPolarHBondContact CB-O 3.43Å; F121-D142 WeakPolarHBondContact CD2-O 3.48Å; F121-D142 PolarHBondContact N-O 3.36Å; F121-D142 VanDerWaalsContact N-O 3.14Å; F121-D142 PolarHBondContact O-N 3.03Å; F121-G145 VanDerWaalsContact CD2-CA 3.48Å; F121-G145 WeakPolarHBondContact CD2-O 3.34Å; F121-G145 VanDerWaalsContact CE2-C 3.47Å; F121-G145 WeakPolarHBondContact CE2-O 3.24Å; F121-G145 WeakPolarHBondContact CZ-O 3.39Å; F121-D147 HydrophobicContact CE1-CB 3.89Å; F121-D147 VanDerWaalsContact CE1-N 3.28Å
122I95.5Very high85Confident0 Ų060.7 Ų60.70%031%0.314CS..EExtended strand (participates in β ladder)trans-125.4127.5-176.5-60.5-177.5000107.8F68 I71 S104 G105 Q107 V120 V139 V140F68-I122 HydrophobicContact CD2-CG2 4.39Å; F68-I122 HydrophobicContact CE2-CB 4.02Å; F68-I122 HydrophobicContact CE2-CD1 4.16Å; F68-I122 HydrophobicContact CE2-CG2 4.11Å; I71-I122 HydrophobicContact CG2-CD1 4.06Å; S104-I122 WeakPolarHBondContact CA-O 3.47Å; G105-I122 PolarHBondContact N-O 3.21Å; G105-I122 PolarHBondContact O-N 3.21Å; Q107-I122 HydrophobicContact CB-CD1 4.43Å; Q107-I122 HydrophobicContact CG-CD1 3.76Å; Q107-I122 VanDerWaalsContact OE1-CD1 3.27Å; V120-I122 HydrophobicContact CG1-CG1 4.28Å; I122-V139 HydrophobicContact CG2-CG1 3.8Å; I122-V140 WeakPolarHBondContact CA-O 3.38Å
123Y96.5Very high86.6Confident4 Ų457.3 Ų57.32%0.01630%0.301CS..EExtended strand (participates in β ladder)trans-116.6124.9170.2-46.9-86.3000108.4F121 V139 V140 D142 E146 I149 I150 Q181 I184F121-Y123 HydrophobicContact CB-CE2 4.39Å; Y123-V139 CarbonylContact O-C 3.45Å; Y123-V139 WeakPolarHBondContact O-CA 3.45Å; Y123-V140 HydrophobicContact CD2-CB 4.41Å; Y123-V140 HydrophobicContact CD2-CG1 4.44Å; Y123-V140 PolarHBondContact N-O 3Å; Y123-V140 PolarHBondContact O-N 3.4Å; Y123-D142 HydrophobicContact CE2-CB 3.92Å; Y123-E146 PolarHBondContact OH-N 2.99Å; Y123-E146 PolarHBondContact OH-O 2.73Å; Y123-I149 WeakPolarHBondContact CE1-O 3.47Å; Y123-I150 HydrophobicContact CD1-CG1 4.13Å; Y123-Q181 PolarHBondContact OH-OE1 2.7Å; Y123-I184 HydrophobicContact CD2-CD1 3.99Å; Y123-I184 HydrophobicContact CD2-CG2 3.8Å; Y123-I184 HydrophobicContact CE2-CD1 3.79Å; Y123-I184 HydrophobicContact CE2-CG2 4.48Å; Y123-I184 HydrophobicContact CG-CG2 3.84Å
124M97.4Very high88.4Confident0 Ų049.6 Ų49.60%026%0.261CS..EExtended strand (participates in β ladder)trans-127.8139.8-172.5-177.1178.576.900110.7A64 H67 F68 I71 L102 L103 L137 V138 V139A64-M124 HydrophobicContact CB-CE 3.86Å; A64-M124 VanDerWaalsContact O-CE 3.26Å; A64-M124 WeakPolarHBondContact O-CE 3.27Å; H67-M124 HydrophobicContact CB-CE 4.41Å; H67-M124 HydrophobicContact CB-SD 4.29Å; F68-M124 HydrophobicContact CB-CE 4.41Å; I71-M124 HydrophobicContact CD1-SD 4.03Å; L102-M124 WeakPolarHBondContact CA-O 3.32Å; L103-M124 HydrophobicContact CB-CB 4.35Å; L103-M124 HydrophobicContact CB-CE 3.95Å; L103-M124 HydrophobicContact CD1-CE 3.95Å; L103-M124 HydrophobicContact CD2-CE 4.47Å; L103-M124 HydrophobicContact CG-CE 4.35Å; L103-M124 PolarHBondContact N-O 2.85Å; L103-M124 PolarHBondContact O-N 3.48Å; M124-L137 HydrophobicContact CG-CD2 4.14Å; M124-L137 HydrophobicContact SD-CD1 4.2Å; M124-L137 HydrophobicContact SD-CD2 3.8Å; M124-V138 CarbonylContact C-O 3.55Å; M124-V138 VanDerWaalsContact CA-O 3.31Å; M124-V138 WeakPolarHBondContact CA-O 3.32Å; M124-V139 HydrophobicContact CG-CG2 4.1Å
125A97.1Very high90.3Very high0 Ų043.5 Ų43.50%023%0.233CC..EExtended strand (participates in β ladder)trans-120.5124.2166.600000109.4V100 V101 L102 Y127 L137 V138 L188V100-A125 HydrophobicContact CG1-CB 3.75Å; V101-A125 CarbonylContact O-C 3.51Å; V101-A125 WeakPolarHBondContact O-CA 3.25Å; L102-A125 HydrophobicContact CD2-CB 3.75Å; A125-Y127 HydrophobicContact CB-CD2 4.42Å; A125-Y127 HydrophobicContact CB-CE2 3.86Å; A125-L137 WeakPolarHBondContact O-CA 3.35Å; A125-V138 HydrophobicContact CB-CB 4.31Å; A125-V138 PolarHBondContact N-O 3.31Å; A125-V138 PolarHBondContact O-N 2.82Å; A125-L188 HydrophobicContact CB-CB 3.93Å; A125-L188 HydrophobicContact CB-CD2 3.93Å; A125-L188 HydrophobicContact CB-CG 4.49Å; A125-L188 WeakPolarHBondContact CB-O 3.23Å
126L97.8Very high92.1Very high0 Ų038 Ų380%019%0.194CC..EExtended strand (participates in β ladder)trans-103.3119175.116964.7000109.8A63 A64 V100 V101 R128 D135 L137A63-L126 HydrophobicContact CB-CD2 3.83Å; A64-L126 HydrophobicContact CB-CD2 3.95Å; V100-L126 WeakPolarHBondContact CA-O 3.28Å; V101-L126 HydrophobicContact CB-CB 4.27Å; V101-L126 PolarHBondContact N-O 2.98Å; V101-L126 PolarHBondContact O-N 3.28Å; L126-R128 HydrophobicContact CD1-CG 4.04Å; L126-R128 HydrophobicContact CD2-CG 3.92Å; L126-R128 HydrophobicContact CG-CG 3.71Å; L126-D135 HydrophobicContact CD1-CB 3.7Å; L126-L137 HydrophobicContact CB-CD2 3.86Å; L126-L137 HydrophobicContact CD1-CD2 3.57Å; L126-L137 HydrophobicContact CG-CD2 4.28Å
127Y96.7Very high93.7Very high1 Ų132.5 Ų32.50%0.00416%0.164CC..EExtended strand (participates in β ladder)trans-102.6119.3171.1-68.4-106.8000108.4L90 V100 A125 V136 V138 L188 L189 L191L90-Y127 HydrophobicContact CD1-CD1 4.44Å; L90-Y127 HydrophobicContact CD1-CE1 4Å; V100-Y127 HydrophobicContact CG1-CD2 4.22Å; V100-Y127 HydrophobicContact CG1-CE2 3.92Å; V100-Y127 HydrophobicContact CG2-CD1 3.52Å; V100-Y127 HydrophobicContact CG2-CD2 4.23Å; V100-Y127 HydrophobicContact CG2-CE1 3.28Å; V100-Y127 HydrophobicContact CG2-CE2 4.01Å; V100-Y127 HydrophobicContact CG2-CG 3.99Å; A125-Y127 HydrophobicContact CB-CD2 4.42Å; A125-Y127 HydrophobicContact CB-CE2 3.86Å; Y127-V136 PolarHBondContact N-O 3.23Å; Y127-V136 PolarHBondContact O-N 3.23Å; Y127-V138 HydrophobicContact CE2-CG2 4.16Å; Y127-L188 WeakPolarHBondContact CE2-O 3.26Å; Y127-L188 PolarHBondContact OH-O 3.02Å; Y127-L189 VanDerWaalsContact OH-CA 3.26Å; Y127-L189 WeakPolarHBondContact OH-CA 3.46Å; Y127-L189 PolarHBondContact OH-O 2.93Å; Y127-L191 HydrophobicContact CD1-CD2 4.4Å; Y127-L191 HydrophobicContact CD2-CB 4.4Å; Y127-L191 HydrophobicContact CD2-CD2 3.84Å; Y127-L191 HydrophobicContact CE1-CB 4.01Å; Y127-L191 WeakPolarHBondContact CE1-O 3.09Å; Y127-L191 HydrophobicContact CE2-CB 3.81Å; Y127-L191 HydrophobicContact CE2-CD2 4.09Å; Y127-L191 HydrophobicContact CG-CD2 4.02Å; Y127-L191 PolarHBondContact OH-N 2.83Å
128R95.3Very high95Very high9 Ų928.2 Ų28.23%0.03414%0.144CC..EExtended strand (participates in β ladder)trans-106109.8-176.5-53.6-158.175.6-170.89110.4Y54 V55 A63 L126 T130 D135Y54-R128 VanDerWaalsContact CE1-NH2 3.33Å; Y54-R128 HydrophobicContact CE2-CB 4.42Å; Y54-R128 PolarHBondContact OH-NH1 3.31Å; V55-R128 PolarHBondContact O-NH2 3.49Å; A63-R128 VanDerWaalsContact CB-CZ 3.49Å; L126-R128 HydrophobicContact CD1-CG 4.04Å; L126-R128 HydrophobicContact CD2-CG 3.92Å; L126-R128 HydrophobicContact CG-CG 3.71Å; R128-T130 PolarHBondContact O-N 3.4Å; R128-D135 WeakPolarHBondContact CG-OD1 3.41Å; R128-D135 IonicContact CZ-OD1 2.77Å; R128-D135 IonicContact CZ-OD2 2.95Å; R128-D135 IonicContact NE-OD1 3.82Å; R128-D135 PolarHBondContact NE-OD1 3.42Å; R128-D135 IonicContact NE-OD2 3.67Å; R128-D135 IonicContact NH2-OD1 3.9Å; R128-D135 PolarHBondContact NH2-OD1 3.03Å; R128-D135 IonicContact NH2-OD2 3.92Å; R128-D135 PolarHBondContact NH2-OD2 3.38Å
129Y95Very high95.7Very high0 Ų025.3 Ų25.30%013%0.129CC..EExtended strand (participates in β ladder)trans-96.572179.3-71.6-80.8000110.2F14 D94 C97 E131 F132 Q133 A134 V136 L193 F199F14-Y129 AromaticContact CE1-CE2 3.85Å; F14-Y129 HydrophobicContact CE1-CE2 3.85Å; F14-Y129 AromaticContact CE1-CZ 3.86Å; F14-Y129 HydrophobicContact CZ-CE2 4.05Å; D94-Y129 VanDerWaalsContact OD2-CE1 3.24Å; D94-Y129 WeakPolarHBondContact OD2-CE1 3.15Å; D94-Y129 PolarHBondContact OD2-OH 3.14Å; C97-Y129 HydrophobicContact CB-CD1 4.04Å; C97-Y129 HydrophobicContact CB-CE1 3.65Å; Y129-E131 VanDerWaalsContact C-N 3.26Å; Y129-E131 PolarHBondContact O-N 2.81Å; Y129-E131 VanDerWaalsContact O-N 3.16Å; Y129-F132 HydrophobicContact CD1-CD2 4.27Å; Y129-F132 HydrophobicContact CG-CD2 4.49Å; Y129-F132 CarbonylContact O-C 3.56Å; Y129-F132 PolarHBondContact O-N 2.82Å; Y129-Q133 PolarHBondContact O-N 3.09Å; Y129-Q133 VanDerWaalsContact O-N 3.09Å; Y129-A134 PolarHBondContact N-O 3.24Å; Y129-A134 PolarHBondContact O-N 2.78Å; Y129-V136 HydrophobicContact CD2-CB 4.47Å; Y129-V136 HydrophobicContact CD2-CG2 3.81Å; Y129-V136 HydrophobicContact CE2-CB 4.24Å; Y129-V136 HydrophobicContact CE2-CG2 3.84Å; Y129-L193 HydrophobicContact CD1-CD2 4.08Å; Y129-L193 HydrophobicContact CE1-CB 3.86Å; Y129-L193 HydrophobicContact CE1-CD2 3.74Å; Y129-L193 HydrophobicContact CE1-CG 4.39Å; Y129-F199 HydrophobicContact CD1-CE2 4.36Å; Y129-F199 AromaticContact CD2-CZ 3.91Å; Y129-F199 HydrophobicContact CD2-CZ 3.91Å; Y129-F199 HydrophobicContact CE2-CZ 4.48Å; Y129-F199 HydrophobicContact CG-CE2 4.17Å; Y129-F199 AromaticContact CG-CZ 3.95Å; Y129-F199 HydrophobicContact CG-CZ 3.95Å
130T92.9Very high96Very high70 Ų7022.5 Ų22.543%0.42911%0.112SC..G310 helixtrans-56.1-35.9-171.7-52.20000113.6R128 F132 Q133R128-T130 PolarHBondContact O-N 3.4Å; T130-F132 PolarHBondContact O-N 3.36Å; T130-Q133 PolarHBondContact O-N 2.87Å; T130-Q133 PolarHBondContact O-NE2 2.9Å
131E92.7Very high96.2Very high142 Ų14222.7 Ų22.766%0.66411%0.112SC*.G310 helixtrans-61.7-33.3176.9-176.2172.2163.800112.4Y96 Y129Y96-E131 WeakPolarHBondContact CD1-OE2 3.48Å; Y129-E131 VanDerWaalsContact C-N 3.26Å; Y129-E131 PolarHBondContact O-N 2.81Å; Y129-E131 VanDerWaalsContact O-N 3.16Å
132F95.1Very high96.2Very high44 Ų4421.6 Ų21.619%0.19311%0.108CC..G310 helixtrans-99.20.1-177.3-56.4-54.9000113.3Y96 Y129 T130 A134 L193 S196 F199Y96-F132 AromaticContact CD1-CE2 3.67Å; Y96-F132 HydrophobicContact CD1-CE2 3.67Å; Y96-F132 AromaticContact CD1-CZ 3.71Å; Y96-F132 HydrophobicContact CD1-CZ 3.71Å; Y96-F132 HydrophobicContact CD2-CE2 4.15Å; Y96-F132 HydrophobicContact CE1-CE2 4.2Å; Y96-F132 AromaticContact CE1-CZ 3.79Å; Y96-F132 HydrophobicContact CE1-CZ 3.79Å; Y96-F132 AromaticContact CG-CE2 3.64Å; Y96-F132 HydrophobicContact CG-CE2 3.64Å; Y96-F132 HydrophobicContact CG-CZ 4.09Å; Y129-F132 HydrophobicContact CD1-CD2 4.27Å; Y129-F132 HydrophobicContact CG-CD2 4.49Å; Y129-F132 CarbonylContact O-C 3.56Å; Y129-F132 PolarHBondContact O-N 2.82Å; T130-F132 PolarHBondContact O-N 3.36Å; F132-A134 PolarHBondContact O-N 2.81Å; F132-L193 HydrophobicContact CE2-CD2 3.97Å; F132-S196 VanDerWaalsContact CZ-CB 3.45Å; F132-F199 HydrophobicContact CB-CB 3.71Å; F132-F199 HydrophobicContact CB-CD1 4.15Å; F132-F199 HydrophobicContact CB-CD2 3.64Å; F132-F199 HydrophobicContact CB-CE2 4.18Å; F132-F199 HydrophobicContact CB-CG 3.58Å; F132-F199 HydrophobicContact CD1-CB 4.08Å; F132-F199 HydrophobicContact CD1-CD2 4.07Å; F132-F199 HydrophobicContact CD1-CG 4.41Å; F132-F199 AromaticContact CD2-CD2 3.27Å; F132-F199 HydrophobicContact CD2-CD2 3.27Å; F132-F199 AromaticContact CD2-CE2 3.45Å; F132-F199 HydrophobicContact CD2-CE2 3.45Å; F132-F199 VanDerWaalsContact CD2-CE2 3.45Å; F132-F199 HydrophobicContact CD2-CG 4.14Å; F132-F199 HydrophobicContact CD2-CZ 4.44Å; F132-F199 AromaticContact CE2-CD2 3.96Å; F132-F199 HydrophobicContact CE2-CD2 3.96Å; F132-F199 HydrophobicContact CE2-CE2 4.14Å; F132-F199 HydrophobicContact CG-CB 3.91Å; F132-F199 AromaticContact CG-CD2 3.37Å; F132-F199 HydrophobicContact CG-CD2 3.37Å; F132-F199 AromaticContact CG-CE2 3.98Å; F132-F199 HydrophobicContact CG-CE2 3.98Å; F132-F199 AromaticContact CG-CG 3.79Å; F132-F199 HydrophobicContact CG-CG 3.79Å
133Q95.1Very high95.8Very high118 Ų11823.8 Ų23.855%0.55112%0.122SC*.THydrogen-bonded Turntrans49.744.2-174.8-62.5-68.4-7200112Y54 Y129 T130Y54-Q133 WeakPolarHBondContact CB-O 3.48Å; Y54-Q133 PolarHBondContact N-O 2.83Å; Y54-Q133 VanDerWaalsContact N-O 3.1Å; Y129-Q133 PolarHBondContact O-N 3.09Å; Y129-Q133 VanDerWaalsContact O-N 3.09Å; T130-Q133 PolarHBondContact O-N 2.87Å; T130-Q133 PolarHBondContact O-NE2 2.9Å
134A96.7Very high95Very high7 Ų729.1 Ų29.16%0.05815%0.147CC..EExtended strand (participates in β ladder)trans-128.7145.7175.900000111.9L52 Y129 F132 F199L52-A134 WeakPolarHBondContact O-CA 3.3Å; Y129-A134 PolarHBondContact N-O 3.24Å; Y129-A134 PolarHBondContact O-N 2.78Å; F132-A134 PolarHBondContact O-N 2.81Å; A134-F199 HydrophobicContact CB-CD1 3.6Å; A134-F199 HydrophobicContact CB-CE1 3.31Å; A134-F199 HydrophobicContact CB-CZ 4.13Å
135D97.5Very high94.1Very high0 Ų029.6 Ų29.60%015%0.152CC..EExtended strand (participates in β ladder)trans-109.3137.1167.1-77.4-28.3000108.1L52 V55 H67 L126 R128L52-D135 PolarHBondContact N-O 2.82Å; L52-D135 PolarHBondContact O-N 2.89Å; V55-D135 PolarHBondContact N-OD2 3.14Å; H67-D135 IonicContact CD2-OD2 2.89Å; H67-D135 IonicContact CE1-OD2 3.81Å; H67-D135 IonicContact NE2-OD2 3.5Å; H67-D135 PolarHBondContact NE2-OD2 3.41Å; L126-D135 HydrophobicContact CD1-CB 3.7Å; R128-D135 WeakPolarHBondContact CG-OD1 3.41Å; R128-D135 IonicContact CZ-OD1 2.77Å; R128-D135 IonicContact CZ-OD2 2.95Å; R128-D135 IonicContact NE-OD1 3.82Å; R128-D135 PolarHBondContact NE-OD1 3.42Å; R128-D135 IonicContact NE-OD2 3.67Å; R128-D135 IonicContact NH2-OD1 3.9Å; R128-D135 PolarHBondContact NH2-OD1 3.03Å; R128-D135 IonicContact NH2-OD2 3.92Å; R128-D135 PolarHBondContact NH2-OD2 3.38Å
136V97.8Very high93Very high0 Ų035.8 Ų35.80%018%0.181CC..EExtended strand (participates in β ladder)trans-120.5122.1174.2-173.10000109F14 I49 D50 I51 Y127 Y129 L191 F199F14-V136 HydrophobicContact CE1-CG2 4.4Å; F14-V136 HydrophobicContact CZ-CG2 3.85Å; I49-V136 HydrophobicContact CG2-CG1 4.05Å; D50-V136 CarbonylContact O-C 3.56Å; D50-V136 WeakPolarHBondContact O-CA 3.43Å; I51-V136 HydrophobicContact CG1-CG1 4.3Å; I51-V136 HydrophobicContact CG1-CG2 4.15Å; I51-V136 HydrophobicContact CG2-CG2 4.38Å; Y127-V136 PolarHBondContact N-O 3.23Å; Y127-V136 PolarHBondContact O-N 3.23Å; Y129-V136 HydrophobicContact CD2-CB 4.47Å; Y129-V136 HydrophobicContact CD2-CG2 3.81Å; Y129-V136 HydrophobicContact CE2-CB 4.24Å; Y129-V136 HydrophobicContact CE2-CG2 3.84Å; V136-L191 HydrophobicContact CB-CD2 4.21Å; V136-L191 HydrophobicContact CG1-CD2 3.55Å; V136-F199 HydrophobicContact CG2-CE1 4.46Å; V136-F199 HydrophobicContact CG2-CZ 4.33Å
137L98.3Very high91.4Very high5 Ų539 Ų393%0.02620%0.198CC..EExtended strand (participates in β ladder)trans-100.5137179.4-63.7-177.5000110.4I49 D50 L52 H67 I71 M124 A125 L126 V139I49-L137 CarbonylContact C-O 3.56Å; I49-L137 VanDerWaalsContact CA-O 3.26Å; I49-L137 WeakPolarHBondContact CA-O 3.43Å; D50-L137 PolarHBondContact N-O 3.24Å; D50-L137 PolarHBondContact O-N 2.98Å; L52-L137 HydrophobicContact CD1-CD1 3.46Å; L52-L137 VanDerWaalsContact CD1-CD1 3.46Å; L52-L137 HydrophobicContact CD1-CG 3.92Å; H67-L137 HydrophobicContact CB-CD1 3.89Å; H67-L137 HydrophobicContact CB-CD2 4.25Å; I71-L137 HydrophobicContact CD1-CD1 4.37Å; M124-L137 HydrophobicContact CG-CD2 4.14Å; M124-L137 HydrophobicContact SD-CD1 4.2Å; M124-L137 HydrophobicContact SD-CD2 3.8Å; A125-L137 WeakPolarHBondContact O-CA 3.35Å; L126-L137 HydrophobicContact CB-CD2 3.86Å; L126-L137 HydrophobicContact CD1-CD2 3.57Å; L126-L137 HydrophobicContact CG-CD2 4.28Å; L137-V139 HydrophobicContact CB-CG2 3.98Å; L137-V139 HydrophobicContact CD1-CG2 4.46Å
138V98.3Very high89.6Confident0 Ų041 Ų410%022%0.22CC..EExtended strand (participates in β ladder)trans-111.3114.2159-174.20000106.9V47 T48 I49 M124 A125 Y127 L188 L191V47-V138 HydrophobicContact CG2-CG1 3.85Å; T48-V138 CarbonylContact O-C 3.58Å; T48-V138 WeakPolarHBondContact O-CA 3.46Å; I49-V138 HydrophobicContact CG1-CG1 4.39Å; I49-V138 HydrophobicContact CG1-CG2 4.27Å; M124-V138 CarbonylContact C-O 3.55Å; M124-V138 VanDerWaalsContact CA-O 3.31Å; M124-V138 WeakPolarHBondContact CA-O 3.32Å; A125-V138 HydrophobicContact CB-CB 4.31Å; A125-V138 PolarHBondContact N-O 3.31Å; A125-V138 PolarHBondContact O-N 2.82Å; Y127-V138 HydrophobicContact CE2-CG2 4.16Å; V138-L188 HydrophobicContact CB-CD2 4.3Å; V138-L188 HydrophobicContact CG1-CD2 4.13Å; V138-L188 VanDerWaalsContact O-CD2 3.31Å; V138-L188 WeakPolarHBondContact O-CD2 3.36Å; V138-L191 HydrophobicContact CG2-CB 4.06Å; V138-L191 HydrophobicContact CG2-CD2 3.97Å; V138-L191 HydrophobicContact CG2-CG 4.41Å
139V98.1Very high87.7Confident11 Ų1142.5 Ų42.57%0.06723%0.228CC..EExtended strand (participates in β ladder)trans-119120.7-175-174.30000109.3V47 T48 I71 I122 Y123 M124 L137V47-V139 CarbonylContact C-O 3.56Å; V47-V139 VanDerWaalsContact CA-O 3.27Å; V47-V139 WeakPolarHBondContact CA-O 3.41Å; T48-V139 PolarHBondContact N-O 2.99Å; T48-V139 PolarHBondContact O-N 2.9Å; I71-V139 HydrophobicContact CD1-CG1 4.34Å; I71-V139 HydrophobicContact CD1-CG2 3.91Å; I122-V139 HydrophobicContact CG2-CG1 3.8Å; Y123-V139 CarbonylContact O-C 3.45Å; Y123-V139 WeakPolarHBondContact O-CA 3.45Å; M124-V139 HydrophobicContact CG-CG2 4.1Å; L137-V139 HydrophobicContact CB-CG2 3.98Å; L137-V139 HydrophobicContact CD1-CG2 4.46Å
140V97.1Very high85.8Confident0 Ų043 Ų430%023%0.23CC..EExtended strand (participates in β ladder)trans-106.2119.2172.6-178.40000108.9S46 V47 I122 Y123 W179 I184 M187 L188S46-V140 CarbonylContact O-C 3.6Å; S46-V140 VanDerWaalsContact O-CA 3.25Å; S46-V140 WeakPolarHBondContact O-CA 3.39Å; V47-V140 HydrophobicContact CB-CG2 4.04Å; V47-V140 HydrophobicContact CG2-CG2 3.85Å; I122-V140 WeakPolarHBondContact CA-O 3.38Å; Y123-V140 HydrophobicContact CD2-CB 4.41Å; Y123-V140 HydrophobicContact CD2-CG1 4.44Å; Y123-V140 PolarHBondContact N-O 3Å; Y123-V140 PolarHBondContact O-N 3.4Å; V140-W179 HydrophobicContact CG1-CE3 4.39Å; V140-I184 HydrophobicContact CB-CG2 4.2Å; V140-I184 HydrophobicContact CG1-CD1 4.09Å; V140-I184 HydrophobicContact CG1-CG1 4.08Å; V140-I184 HydrophobicContact CG1-CG2 4.26Å; V140-I184 HydrophobicContact CG2-CG2 4.18Å; V140-M187 HydrophobicContact CG1-CE 4.33Å; V140-M187 HydrophobicContact CG2-CE 3.88Å; V140-L188 HydrophobicContact CG2-CD2 4.17Å
141N95.4Very high83.8Confident32 Ų3245.2 Ų45.217%0.17124%0.235CC..EExtended strand (participates in β ladder)trans-92.6130.5169-62-51.8000109.1Q45 S46 V120Q45-N141 VanDerWaalsContact CA-O 3.27Å; Q45-N141 WeakPolarHBondContact CA-O 3.22Å; S46-N141 PolarHBondContact N-O 3.1Å; S46-N141 VanDerWaalsContact N-O 3.09Å; S46-N141 PolarHBondContact O-N 3.08Å; S46-N141 PolarHBondContact OG-ND2 3.08Å; V120-N141 HydrophobicContact CG1-CB 4.06Å
142D93.6Very high81.7Confident10 Ų1042.3 Ų42.35%0.05323%0.23CC..EExtended strand (participates in β ladder)trans-138.599.4178.3-169.3-2.9000111.6Q45 F121 Y123 H144 G145Q45-D142 HydrophobicContact CG-CB 4.21Å; Q45-D142 WeakPolarHBondContact CG-OD1 3.17Å; Q45-D142 PolarHBondContact NE2-OD1 3.04Å; Q45-D142 PolarHBondContact NE2-OD2 3.46Å; F121-D142 VanDerWaalsContact CB-O 3.32Å; F121-D142 WeakPolarHBondContact CB-O 3.43Å; F121-D142 WeakPolarHBondContact CD2-O 3.48Å; F121-D142 PolarHBondContact N-O 3.36Å; F121-D142 VanDerWaalsContact N-O 3.14Å; F121-D142 PolarHBondContact O-N 3.03Å; Y123-D142 HydrophobicContact CE2-CB 3.92Å; D142-H144 PolarHBondContact O-N 3.46Å; D142-H144 VanDerWaalsContact O-N 3.15Å; D142-H144 WeakPolarHBondContact OD1-CA 3.45Å; D142-H144 WeakPolarHBondContact OD1-CB 3.37Å; D142-H144 PolarHBondContact OD1-N 3.41Å; D142-G145 PolarHBondContact O-N 3.04Å; D142-G145 VanDerWaalsContact O-N 3.11Å; D142-G145 PolarHBondContact OD1-N 3.36Å
143P88.2Confident79.3Confident46 Ų4642 Ų4230%0.29923%0.233SC..THydrogen-bonded Turntrans-67.1-8.9174.9-26.640.5000114.4S44S44-P143 WeakPolarHBondContact O-CD 3.32Å
144H79.9Confident76.7Confident116 Ų11642.6 Ų42.654%0.53725%0.25SS..THydrogen-bonded Turntrans-1088.7175.9-52.4-58.1000112.5D142D142-H144 PolarHBondContact O-N 3.46Å; D142-H144 VanDerWaalsContact O-N 3.15Å; D142-H144 WeakPolarHBondContact OD1-CA 3.45Å; D142-H144 WeakPolarHBondContact OD1-CB 3.37Å; D142-H144 PolarHBondContact OD1-N 3.41Å
145G77.7Confident74.1Confident10 Ų1044.8 Ų44.810%0.10327%0.274CS..  trans-67178.8-178.800000113.6F121 D142F121-G145 VanDerWaalsContact CD2-CA 3.48Å; F121-G145 WeakPolarHBondContact CD2-O 3.34Å; F121-G145 VanDerWaalsContact CE2-C 3.47Å; F121-G145 WeakPolarHBondContact CE2-O 3.24Å; F121-G145 WeakPolarHBondContact CZ-O 3.39Å; D142-G145 PolarHBondContact O-N 3.04Å; D142-G145 VanDerWaalsContact O-N 3.11Å; D142-G145 PolarHBondContact OD1-N 3.36Å
146E73.9Confident71.5Confident130 Ų13046 Ų4661%0.60728%0.278SS*.  trans-133.6147175.5-66.9-177.1-178.100109.7Y123 I149Y123-E146 PolarHBondContact OH-N 2.99Å; Y123-E146 PolarHBondContact OH-O 2.73Å; E146-I149 HydrophobicContact CB-CD1 3.81Å; E146-I149 HydrophobicContact CB-CG1 4.3Å; E146-I149 WeakPolarHBondContact OE2-CD1 3.43Å
147D64.6Low68.8Low68 Ų6851.2 Ų51.236%0.36431%0.306SS..THydrogen-bonded Turntrans-70.2138-175.2-147.4-4.8000111.4S83 K106 F121 I149S83-D147 WeakPolarHBondContact CB-OD1 3.35Å; S83-D147 PolarHBondContact OG-OD1 2.79Å; K106-D147 IonicContact NZ-OD2 3.99Å; K106-D147 PolarHBondContact NZ-OD2 3.4Å; F121-D147 HydrophobicContact CE1-CB 3.89Å; F121-D147 VanDerWaalsContact CE1-N 3.28Å; D147-I149 PolarHBondContact O-N 3.14Å
148G58.7Low66.2Low44 Ų4459.5 Ų59.545%0.45435%0.345SS..THydrogen-bonded Turntrans79.67.7170.900000116.7S83 I150S83-G148 PolarHBondContact OG-N 2.91Å; G148-I150 PolarHBondContact O-N 3.29Å
149I54.8Low63.6Low40 Ų4061.8 Ų61.821%0.20536%0.359CS..  trans-96.994.5177.2-43.2-173.6000110.5Y123 E146 D147 Q181Y123-I149 WeakPolarHBondContact CE1-O 3.47Å; E146-I149 HydrophobicContact CB-CD1 3.81Å; E146-I149 HydrophobicContact CB-CG1 4.3Å; E146-I149 WeakPolarHBondContact OE2-CD1 3.43Å; D147-I149 PolarHBondContact O-N 3.14Å; I149-Q181 HydrophobicContact CB-CG 4.47Å; I149-Q181 HydrophobicContact CG2-CB 4.42Å; I149-Q181 HydrophobicContact CG2-CG 3.67Å; I149-Q181 PolarHBondContact O-NE2 3.18Å; I149-Q181 PolarHBondContact O-OE1 2.91Å
150I54.6Low61Low9 Ų968.5 Ų68.55%0.04639%0.389CS..  trans-125.688.1147.9-54.2178.4000105.6R86 L102 Y123 G148 S152 N185R86-I150 PolarHBondContact NH1-O 3.14Å; R86-I150 PolarHBondContact NH2-O 3.1Å; L102-I150 HydrophobicContact CB-CD1 4.1Å; L102-I150 HydrophobicContact CD1-CG2 4.03Å; Y123-I150 HydrophobicContact CD1-CG1 4.13Å; G148-I150 PolarHBondContact O-N 3.29Å; I150-S152 PolarHBondContact O-N 2.83Å; I150-N185 VanDerWaalsContact CG2-OD1 3.31Å; I150-N185 WeakPolarHBondContact CG2-OD1 3.3Å
151H52Low58.4Low118 Ų11871.1 Ų71.155%0.54640%0.401SS..PPolyproline II helixtrans-59.1125.7168.7-66.2165.5000108.3P153 N185H151-P153 VanDerWaalsContact O-CD 3.23Å; H151-P153 WeakPolarHBondContact O-CD 3.48Å; H151-P153 VanDerWaalsContact O-N 3.12Å; H151-N185 PolarHBondContact O-ND2 3.19Å
152S47.7Very low55.7Low80 Ų8073.5 Ų73.556%0.55942%0.416SS*.PPolyproline II helixtrans-58.1116.9155.8-69.40000105.1R86 I150 S154R86-S152 PolarHBondContact NH2-OG 2.98Å; I150-S152 PolarHBondContact O-N 2.83Å; S152-S154 PolarHBondContact O-N 3.48Å
153P44.7Very low53.1Low37 Ų3780.7 Ų80.724%0.2445%0.447CS..PPolyproline II helixtrans-58.2118.2-178.9-1828.9000106.4H151 G155 Y156 N185H151-P153 VanDerWaalsContact O-CD 3.23Å; H151-P153 WeakPolarHBondContact O-CD 3.48Å; H151-P153 VanDerWaalsContact O-N 3.12Å; P153-G155 PolarHBondContact O-N 2.8Å; P153-Y156 HydrophobicContact CG-CD2 4.3Å; P153-Y156 PolarHBondContact O-N 3.22Å; P153-Y156 VanDerWaalsContact O-N 3.14Å; P153-N185 HydrophobicContact CG-CB 4.19Å
154S40.5Very low50.9Low132 Ų13283.8 Ų83.892%0.92346%0.458SS*.THydrogen-bonded Turntrans-63.582.1165.951.50000106.4S152S152-S154 PolarHBondContact O-N 3.48Å
155G42.1Very low48.7Very low53 Ų5385.4 Ų85.455%0.54647%0.47SS..THydrogen-bonded Turntrans128.211.2-171.800000117.6P153 N157P153-G155 PolarHBondContact O-N 2.8Å; G155-N157 PolarHBondContact O-N 3.09Å
156Y43.2Very low47.1Very low24 Ų2489 Ų899%0.09449%0.487CS..G310 helixtrans-55-17.1171.9-176.8-95.7000112.9H91 P153 Q158 V159 L189 R192H91-Y156 AromaticContact ND1-CD1 3.83Å; P153-Y156 HydrophobicContact CG-CD2 4.3Å; P153-Y156 PolarHBondContact O-N 3.22Å; P153-Y156 VanDerWaalsContact O-N 3.14Å; Y156-Q158 PolarHBondContact O-N 2.92Å; Y156-V159 HydrophobicContact CD2-CG2 3.61Å; Y156-V159 HydrophobicContact CE2-CG2 3.52Å; Y156-V159 HydrophobicContact CG-CG2 4.37Å; Y156-V159 PolarHBondContact O-N 2.7Å; Y156-L189 HydrophobicContact CD2-CB 4.21Å; Y156-L189 HydrophobicContact CD2-CD1 3.84Å; Y156-L189 HydrophobicContact CE1-CB 4.49Å; Y156-L189 HydrophobicContact CE2-CB 3.35Å; Y156-L189 HydrophobicContact CE2-CD1 3.84Å; Y156-L189 HydrophobicContact CE2-CG 4.25Å; Y156-L189 HydrophobicContact CG-CD1 4.31Å; Y156-L189 PolarHBondContact OH-O 2.83Å; Y156-R192 PolarHBondContact OH-NH2 2.91Å
157N41.2Very low45.3Very low111 Ų11189.7 Ų89.759%0.59450%0.495SS*.G310 helixtrans-50-12.6179.5-62.6-0.7000115.6H91 G155H91-N157 PolarHBondContact NE2-OD1 3.39Å; G155-N157 PolarHBondContact O-N 3.09Å
158Q43.7Very low44.1Very low179 Ų17993.2 Ų93.284%0.83651%0.514SS*.G310 helixtrans-14754.6-178.7-61.8179.865.200113.2Y156 H160Y156-Q158 PolarHBondContact O-N 2.92Å; Q158-H160 VanDerWaalsContact C-N 3.31Å; Q158-H160 PolarHBondContact O-N 3.14Å
159V44.4Very low43.4Very low47 Ų4798.4 Ų98.429%0.28553%0.531SS..  trans-7493.8162.9-162.90000108.1L17 Y156 F161 T186L17-V159 HydrophobicContact CD1-CB 4.33Å; L17-V159 HydrophobicContact CD1-CG1 3.16Å; Y156-V159 HydrophobicContact CD2-CG2 3.61Å; Y156-V159 HydrophobicContact CE2-CG2 3.52Å; Y156-V159 HydrophobicContact CG-CG2 4.37Å; Y156-V159 PolarHBondContact O-N 2.7Å; V159-F161 PolarHBondContact O-N 2.81Å; V159-T186 HydrophobicContact CG1-CG2 3.89Å
160H42.3Very low42.6Very low152 Ų152103.9 Ų103.970%0.70456%0.561SS**  trans-74.3122.1176.6-151.386.7000108.4Q158 T162Q158-H160 VanDerWaalsContact C-N 3.31Å; Q158-H160 PolarHBondContact O-N 3.14Å; H160-T162 VanDerWaalsContact C-N 3.25Å; H160-T162 PolarHBondContact O-N 2.93Å
161F42.9Very low41.9Very low56 Ų56109 Ų10925%0.24659%0.589CS.*  trans-68.388.1166.4-69-90.4000108.1Q15 L17 V159 F163 R192Q15-F161 HydrophobicContact CG-CE1 4.22Å; L17-F161 HydrophobicContact CD1-CD1 4.17Å; L17-F161 HydrophobicContact CD1-CE1 4.07Å; L17-F161 HydrophobicContact CD1-CZ 4.49Å; L17-F161 HydrophobicContact CD2-CD1 3.86Å; L17-F161 HydrophobicContact CD2-CE1 4.27Å; L17-F161 HydrophobicContact CG-CD1 3.83Å; L17-F161 HydrophobicContact CG-CE1 3.73Å; V159-F161 PolarHBondContact O-N 2.81Å; F161-F163 PolarHBondContact O-N 2.87Å; F161-R192 HydrophobicContact CZ-CG 3.99Å
162T39Very low41.3Very low81 Ų81109.4 Ų109.450%0.49761%0.605SS.*  trans-80.3114.5167.328.40000109.1H160 Q164H160-T162 VanDerWaalsContact C-N 3.25Å; H160-T162 PolarHBondContact O-N 2.93Å; T162-Q164 PolarHBondContact O-N 2.95Å
163F38.8Very low41.2Very low162 Ų162110.3 Ų110.371%0.71160%0.597SS**  trans-72.7104.3160.7-64.8-87.7000107.6F161F161-F163 PolarHBondContact O-N 2.87Å
164Q41.6Very low41.2Very low111 Ų111111.7 Ų111.752%0.51961%0.607SS.*  trans-84.3125163-77.9-161.8-69.700108.8T162T162-Q164 PolarHBondContact O-N 2.95Å
165N35.2Very low41.7Very low149 Ų149108.7 Ų108.780%0.79758%0.583SS**  trans-93.492.2169.4-158.6-1.1000106.1N167N165-N167 PolarHBondContact O-N 3.16Å
166D42.6Very low42.5Very low86 Ų86111.4 Ų111.446%0.4659%0.585SS.*  trans-74.293.2-175.3-83.6-17.4000111
167N36.9Very low44.1Very low144 Ų144114.1 Ų114.177%0.7760%0.601SS**  trans-99.411.9162-91.2-28.3000112.8N165N165-N167 PolarHBondContact O-N 3.16Å
168N38.8Very low46.3Very low143 Ų143112 Ų11277%0.76559%0.592SS**  trans-113.885.8-179.7-78.8-21.9000111.7N170N168-N170 PolarHBondContact O-N 3.25Å; N168-N170 VanDerWaalsContact O-N 3.08Å
169N44.1Very low48.5Very low153 Ų153103.7 Ų103.782%0.81855%0.553SS**  trans-59.1105157.6-66.9-24.9000108
170N37.6Very low50.7Low155 Ų155104.1 Ų104.183%0.82956%0.558SS**  trans161.230.8152.2-78.8-13.5000114.9N168N168-N170 PolarHBondContact O-N 3.25Å; N168-N170 VanDerWaalsContact O-N 3.08Å
171N40.1Very low52.8Low116 Ų11698.4 Ų98.462%0.6253%0.532SS*.  trans-98110165.3-79.1-13.8000109.6Y173N171-Y173 HydrophobicContact CB-CD2 4.14Å; N171-Y173 HydrophobicContact CB-CE1 4.44Å; N171-Y173 HydrophobicContact CB-CE2 3.66Å; N171-Y173 WeakPolarHBondContact O-CD2 3.32Å; N171-Y173 PolarHBondContact O-N 2.88Å
172S39.1Very low55Low127 Ų127100.3 Ų100.389%0.88855%0.545SS*.  trans-64.581163.5-49.40000108.3S174S172-S174 PolarHBondContact O-N 2.94Å
173Y46Very low57.5Low99 Ų9997 Ų9739%0.38853%0.525SS..  trans-60.9126.3168.9-64.6-83.3000107N171 T175N171-Y173 HydrophobicContact CB-CD2 4.14Å; N171-Y173 HydrophobicContact CB-CE1 4.44Å; N171-Y173 HydrophobicContact CB-CE2 3.66Å; N171-Y173 WeakPolarHBondContact O-CD2 3.32Å; N171-Y173 PolarHBondContact O-N 2.88Å; Y173-T175 VanDerWaalsContact C-N 3.33Å; Y173-T175 PolarHBondContact O-N 3.11Å
174S44.2Very low60.1Low66 Ų6689.4 Ų89.446%0.46249%0.491SS..  trans-62.3103.1166-179.70000106.8S172 D176S172-S174 PolarHBondContact O-N 2.94Å; S174-D176 PolarHBondContact O-N 3.15Å
175T52Low62.5Low69 Ų6984.2 Ų84.242%0.42347%0.467SS..THydrogen-bonded Turntrans-65.3-10.4176.247.70000112.4H40 Y173H40-T175 PolarHBondContact CE1-O 2.62Å; Y173-T175 VanDerWaalsContact C-N 3.33Å; Y173-T175 PolarHBondContact O-N 3.11Å
176D59Low65.2Low109 Ų10978.4 Ų78.458%0.58344%0.437SS*.THydrogen-bonded Turntrans-1010.1-167-57.6-19.1000113.2S42 S174 T178S42-D176 PolarHBondContact OG-OD1 2.99Å; S174-D176 PolarHBondContact O-N 3.15Å; D176-T178 PolarHBondContact O-N 2.84Å
177L77Confident67.7Low81 Ų8174.3 Ų74.342%0.42442%0.415SS..PPolyproline II helixtrans-78.3116.4175.7-66175.1000109.3I2 H40I2-L177 HydrophobicContact CD1-CB 3.89Å; I2-L177 VanDerWaalsContact CD1-O 3.25Å; I2-L177 WeakPolarHBondContact CD1-O 3.37Å; I2-L177 HydrophobicContact CG1-CB 4Å; I2-L177 HydrophobicContact CG1-CD1 4.37Å; H40-L177 PolarHBondContact NE2-O 2.81Å
178T86.5Confident70.4Confident68 Ų6867.4 Ų67.442%0.41738%0.378SS..PPolyproline II helixtrans-53.7149.3165.852.90000110.4I2 T43 Q45 D176 S180I2-T178 WeakPolarHBondContact CD1-O 3.31Å; T43-T178 HydrophobicContact CG2-CG2 3.78Å; Q45-T178 VanDerWaalsContact OE1-CA 3.29Å; D176-T178 PolarHBondContact O-N 2.84Å; T178-S180 PolarHBondContact O-N 3.41Å
179W90.9Very high73Confident3 Ų361.1 Ų61.11%0.01134%0.344CS..PPolyproline II helixtrans-64.1120169.8-58.9-27000108.8P19 N21 V22 H40 Q45 V47 V140 T183 I184 M187P19-W179 HydrophobicContact CG-CD2 4.14Å; P19-W179 HydrophobicContact CG-CG 4.11Å; P19-W179 HydrophobicContact CG-CZ2 4.38Å; N21-W179 PolarHBondContact OD1-NE1 3.32Å; V22-W179 HydrophobicContact CG1-CH2 4.23Å; V22-W179 HydrophobicContact CG1-CZ2 3.69Å; H40-W179 HydrophobicContact CB-CH2 4.25Å; H40-W179 HydrophobicContact CB-CZ2 3.89Å; H40-W179 AromaticContact CD2-CD1 3.91Å; H40-W179 AromaticContact CD2-CE2 3.75Å; H40-W179 AromaticContact CD2-NE1 3.46Å; H40-W179 PolarHBondContact CD2-NE1 3Å; Q45-W179 HydrophobicContact CB-CD2 4.35Å; Q45-W179 HydrophobicContact CB-CE3 3.75Å; Q45-W179 HydrophobicContact CB-CZ3 3.86Å; Q45-W179 PolarHBondContact NE2-O 2.95Å; Q45-W179 VanDerWaalsContact NE2-O 3.1Å; V47-W179 HydrophobicContact CB-CZ3 4.28Å; V47-W179 HydrophobicContact CG1-CH2 4.13Å; V47-W179 HydrophobicContact CG1-CZ3 4.25Å; V140-W179 HydrophobicContact CG1-CE3 4.39Å; W179-T183 HydrophobicContact CB-CG2 3.83Å; W179-T183 HydrophobicContact CG-CG2 4.07Å; W179-I184 HydrophobicContact CB-CG1 4.22Å; W179-M187 HydrophobicContact CB-CE 4.48Å; W179-M187 HydrophobicContact CD2-CE 4.1Å; W179-M187 HydrophobicContact CE3-CE 3.72Å; W179-M187 HydrophobicContact CE3-SD 4.47Å; W179-M187 HydrophobicContact CG-CE 4.43Å; W179-M187 HydrophobicContact CZ3-CE 4.31Å
180S89.1Confident75.3Confident56 Ų5653.9 Ų53.939%0.39231%0.306SS..PPolyproline II helixtrans-72165.2176.969.20000110.8T178 D182 T183 I184T178-S180 PolarHBondContact O-N 3.41Å; S180-D182 PolarHBondContact O-N 2.9Å; S180-T183 WeakPolarHBondContact O-CA 3.35Å; S180-T183 VanDerWaalsContact O-CB 3.32Å; S180-T183 WeakPolarHBondContact O-CB 3.49Å; S180-T183 PolarHBondContact O-N 3.06Å; S180-T183 PolarHBondContact OG-N 3.26Å; S180-T183 PolarHBondContact OG-OG1 2.94Å; S180-I184 WeakPolarHBondContact O-CG1 3.23Å; S180-I184 PolarHBondContact O-N 2.92Å
181Q87.6Confident78Confident32 Ų3246.5 Ų46.515%0.1527%0.266CS..Hα-helixtrans-55.8-36.8175-169.663.441.100113.1Y123 I149 T183 I184 N185Y123-Q181 PolarHBondContact OH-OE1 2.7Å; I149-Q181 HydrophobicContact CB-CG 4.47Å; I149-Q181 HydrophobicContact CG2-CB 4.42Å; I149-Q181 HydrophobicContact CG2-CG 3.67Å; I149-Q181 PolarHBondContact O-NE2 3.18Å; I149-Q181 PolarHBondContact O-OE1 2.91Å; Q181-T183 VanDerWaalsContact C-N 3.33Å; Q181-I184 PolarHBondContact O-N 3.21Å; Q181-N185 PolarHBondContact NE2-OD1 2.71Å; Q181-N185 WeakPolarHBondContact O-CB 3.46Å; Q181-N185 PolarHBondContact O-N 3.36Å; Q181-N185 PolarHBondContact O-ND2 3.39Å
182D89.2Confident80.5Confident97 Ų9742.1 Ų42.152%0.51924%0.241SC..Hα-helixtrans-66.2-38177.1-69-29.3000111.7S180 T186S180-D182 PolarHBondContact O-N 2.9Å; D182-T186 WeakPolarHBondContact O-CB 3.25Å; D182-T186 PolarHBondContact O-N 3.13Å; D182-T186 PolarHBondContact O-OG1 3.1Å
183T91.4Very high83.1Confident12 Ų1237 Ų377%0.07420%0.204CC..Hα-helixtrans-63.6-46.3172.7-68.60000110.7M4 P19 W179 S180 Q181 T186 M187M4-T183 HydrophobicContact CE-CG2 4.19Å; M4-T183 HydrophobicContact SD-CG2 3.63Å; P19-T183 HydrophobicContact CG-CG2 3.69Å; W179-T183 HydrophobicContact CB-CG2 3.83Å; W179-T183 HydrophobicContact CG-CG2 4.07Å; S180-T183 WeakPolarHBondContact O-CA 3.35Å; S180-T183 VanDerWaalsContact O-CB 3.32Å; S180-T183 WeakPolarHBondContact O-CB 3.49Å; S180-T183 PolarHBondContact O-N 3.06Å; S180-T183 PolarHBondContact OG-N 3.26Å; S180-T183 PolarHBondContact OG-OG1 2.94Å; Q181-T183 VanDerWaalsContact C-N 3.33Å; T183-T186 WeakPolarHBondContact O-CB 3.44Å; T183-T186 PolarHBondContact O-N 3.14Å; T183-M187 HydrophobicContact CG2-CE 4.21Å; T183-M187 WeakPolarHBondContact O-CG 3.46Å; T183-M187 PolarHBondContact O-N 2.87Å
184I93Very high85.4Confident1 Ų137.8 Ų37.81%0.00521%0.212CC..Hα-helixtrans-59.6-52176.8-65.4177.7000111Y123 V140 W179 S180 Q181 T186 M187 L188Y123-I184 HydrophobicContact CD2-CD1 3.99Å; Y123-I184 HydrophobicContact CD2-CG2 3.8Å; Y123-I184 HydrophobicContact CE2-CD1 3.79Å; Y123-I184 HydrophobicContact CE2-CG2 4.48Å; Y123-I184 HydrophobicContact CG-CG2 3.84Å; V140-I184 HydrophobicContact CB-CG2 4.2Å; V140-I184 HydrophobicContact CG1-CD1 4.09Å; V140-I184 HydrophobicContact CG1-CG1 4.08Å; V140-I184 HydrophobicContact CG1-CG2 4.26Å; V140-I184 HydrophobicContact CG2-CG2 4.18Å; W179-I184 HydrophobicContact CB-CG1 4.22Å; S180-I184 WeakPolarHBondContact O-CG1 3.23Å; S180-I184 PolarHBondContact O-N 2.92Å; Q181-I184 PolarHBondContact O-N 3.21Å; I184-T186 PolarHBondContact O-N 3.28Å; I184-M187 HydrophobicContact CB-CE 4.32Å; I184-M187 HydrophobicContact CG1-CE 3.94Å; I184-M187 WeakPolarHBondContact O-CB 3.45Å; I184-M187 PolarHBondContact O-N 3.27Å; I184-M187 VanDerWaalsContact O-N 3.1Å; I184-L188 HydrophobicContact CG2-CD1 3.86Å; I184-L188 HydrophobicContact CG2-CG 4.27Å; I184-L188 VanDerWaalsContact O-CG 3.28Å; I184-L188 WeakPolarHBondContact O-CG 3.07Å; I184-L188 PolarHBondContact O-N 3.32Å
185N91.9Very high87.7Confident2 Ų238.2 Ų38.21%0.01121%0.21CC..Hα-helixtrans-58.2-36.1177.5-70-22.1000112.3I150 H151 P153 Q181 L189I150-N185 VanDerWaalsContact CG2-OD1 3.31Å; I150-N185 WeakPolarHBondContact CG2-OD1 3.3Å; H151-N185 PolarHBondContact O-ND2 3.19Å; P153-N185 HydrophobicContact CG-CB 4.19Å; Q181-N185 PolarHBondContact NE2-OD1 2.71Å; Q181-N185 WeakPolarHBondContact O-CB 3.46Å; Q181-N185 PolarHBondContact O-N 3.36Å; Q181-N185 PolarHBondContact O-ND2 3.39Å; N185-L189 WeakPolarHBondContact O-CB 3.45Å; N185-L189 PolarHBondContact O-N 2.94Å
186T91.8Very high89.6Confident27 Ų2736.4 Ų36.417%0.16620%0.199CC..Hα-helixtrans-65.5-48175.7-60.20000110.9M4 L17 V159 D182 T183 I184 L188 L189 S190M4-T186 HydrophobicContact CE-CG2 4.03Å; L17-T186 HydrophobicContact CB-CG2 4.2Å; L17-T186 HydrophobicContact CD1-CG2 4.08Å; V159-T186 HydrophobicContact CG1-CG2 3.89Å; D182-T186 WeakPolarHBondContact O-CB 3.25Å; D182-T186 PolarHBondContact O-N 3.13Å; D182-T186 PolarHBondContact O-OG1 3.1Å; T183-T186 WeakPolarHBondContact O-CB 3.44Å; T183-T186 PolarHBondContact O-N 3.14Å; I184-T186 PolarHBondContact O-N 3.28Å; T186-L188 PolarHBondContact O-N 2.91Å; T186-L189 PolarHBondContact O-N 2.8Å; T186-S190 WeakPolarHBondContact O-CB 3.49Å; T186-S190 PolarHBondContact O-N 3.16Å; T186-S190 VanDerWaalsContact O-N 3.1Å; T186-S190 PolarHBondContact O-OG 3.24Å; T186-S190 VanDerWaalsContact O-OG 3.04Å
187M94.5Very high91.3Very high0 Ų036.3 Ų36.30%020%0.199CC..Hα-helixtrans-55-55175.8-67.8-173.6-73.500110.6M4 L17 L18 P19 V47 V140 W179 T183 I184 L189 S190M4-M187 HydrophobicContact CE-CG 3.66Å; L17-M187 WeakPolarHBondContact O-CG 3.37Å; L18-M187 HydrophobicContact CD2-CG 4.11Å; L18-M187 HydrophobicContact CD2-SD 4.04Å; P19-M187 WeakPolarHBondContact CD-SD 3.4Å; P19-M187 HydrophobicContact CG-SD 3.91Å; V47-M187 HydrophobicContact CB-SD 4.21Å; V47-M187 HydrophobicContact CG1-SD 4.04Å; V47-M187 HydrophobicContact CG2-SD 4.35Å; V140-M187 HydrophobicContact CG1-CE 4.33Å; V140-M187 HydrophobicContact CG2-CE 3.88Å; W179-M187 HydrophobicContact CB-CE 4.48Å; W179-M187 HydrophobicContact CD2-CE 4.1Å; W179-M187 HydrophobicContact CE3-CE 3.72Å; W179-M187 HydrophobicContact CE3-SD 4.47Å; W179-M187 HydrophobicContact CG-CE 4.43Å; W179-M187 HydrophobicContact CZ3-CE 4.31Å; T183-M187 HydrophobicContact CG2-CE 4.21Å; T183-M187 WeakPolarHBondContact O-CG 3.46Å; T183-M187 PolarHBondContact O-N 2.87Å; I184-M187 HydrophobicContact CB-CE 4.32Å; I184-M187 HydrophobicContact CG1-CE 3.94Å; I184-M187 WeakPolarHBondContact O-CB 3.45Å; I184-M187 PolarHBondContact O-N 3.27Å; I184-M187 VanDerWaalsContact O-N 3.1Å; M187-L189 PolarHBondContact O-N 2.9Å; M187-L189 VanDerWaalsContact O-N 3.14Å; M187-S190 PolarHBondContact O-N 2.86Å; M187-S190 VanDerWaalsContact O-N 3.16Å; M187-S190 PolarHBondContact O-OG 3.25Å
188L95.1Very high92.1Very high0 Ų034.4 Ų34.40%019%0.189CC..Hα-helixtrans-55.7-33.1-176.4-70.3177000114.3L102 A125 Y127 V138 V140 I184 T186L102-L188 HydrophobicContact CD2-CB 4.22Å; A125-L188 HydrophobicContact CB-CB 3.93Å; A125-L188 HydrophobicContact CB-CD2 3.93Å; A125-L188 HydrophobicContact CB-CG 4.49Å; A125-L188 WeakPolarHBondContact CB-O 3.23Å; Y127-L188 WeakPolarHBondContact CE2-O 3.26Å; Y127-L188 PolarHBondContact OH-O 3.02Å; V138-L188 HydrophobicContact CB-CD2 4.3Å; V138-L188 HydrophobicContact CG1-CD2 4.13Å; V138-L188 VanDerWaalsContact O-CD2 3.31Å; V138-L188 WeakPolarHBondContact O-CD2 3.36Å; V140-L188 HydrophobicContact CG2-CD2 4.17Å; I184-L188 HydrophobicContact CG2-CD1 3.86Å; I184-L188 HydrophobicContact CG2-CG 4.27Å; I184-L188 VanDerWaalsContact O-CG 3.28Å; I184-L188 WeakPolarHBondContact O-CG 3.07Å; I184-L188 PolarHBondContact O-N 3.32Å; T186-L188 PolarHBondContact O-N 2.91Å
189L92.9Very high92.4Very high10 Ų1033 Ų335%0.05218%0.177CC..Hα-helixtrans-102.9-4.6-175.4-69.2170.7000113.5V88 V100 L102 Y127 Y156 N185 T186 M187 R192V88-L189 HydrophobicContact CG2-CD2 3.77Å; V100-L189 HydrophobicContact CG1-CD2 4.4Å; L102-L189 HydrophobicContact CD1-CD1 4.37Å; L102-L189 HydrophobicContact CD1-CD2 4.09Å; L102-L189 HydrophobicContact CD1-CG 4.43Å; L102-L189 HydrophobicContact CD2-CD2 3.92Å; L102-L189 HydrophobicContact CD2-CG 4.33Å; L102-L189 HydrophobicContact CG-CD2 4.29Å; Y127-L189 VanDerWaalsContact OH-CA 3.26Å; Y127-L189 WeakPolarHBondContact OH-CA 3.46Å; Y127-L189 PolarHBondContact OH-O 2.93Å; Y156-L189 HydrophobicContact CD2-CB 4.21Å; Y156-L189 HydrophobicContact CD2-CD1 3.84Å; Y156-L189 HydrophobicContact CE1-CB 4.49Å; Y156-L189 HydrophobicContact CE2-CB 3.35Å; Y156-L189 HydrophobicContact CE2-CD1 3.84Å; Y156-L189 HydrophobicContact CE2-CG 4.25Å; Y156-L189 HydrophobicContact CG-CD1 4.31Å; Y156-L189 PolarHBondContact OH-O 2.83Å; N185-L189 WeakPolarHBondContact O-CB 3.45Å; N185-L189 PolarHBondContact O-N 2.94Å; T186-L189 PolarHBondContact O-N 2.8Å; M187-L189 PolarHBondContact O-N 2.9Å; M187-L189 VanDerWaalsContact O-N 3.14Å; L189-R192 PolarHBondContact O-NH1 3.35Å
190S93Very high92.1Very high1 Ų138.1 Ų38.11%0.00721%0.208CC..Hα-helixtrans-92.9-6.9-171.865.40000115.4C16 L17 T186 M187 R192C16-S190 PolarHBondContact SG-OG 2.76Å; L17-S190 WeakPolarHBondContact CB-OG 2.85Å; L17-S190 PolarHBondContact N-OG 2.66Å; T186-S190 WeakPolarHBondContact O-CB 3.49Å; T186-S190 PolarHBondContact O-N 3.16Å; T186-S190 VanDerWaalsContact O-N 3.1Å; T186-S190 PolarHBondContact O-OG 3.24Å; T186-S190 VanDerWaalsContact O-OG 3.04Å; M187-S190 PolarHBondContact O-N 2.86Å; M187-S190 VanDerWaalsContact O-N 3.16Å; M187-S190 PolarHBondContact O-OG 3.25Å; S190-R192 PolarHBondContact O-N 3.04Å
191L94.2Very high90.7Very high0 Ų043.4 Ų43.40%025%0.245CC..  trans-63.2133.2179.7-171.675.9000111.2L9 F14 Q15 C16 I49 Y127 V136 V138L9-L191 HydrophobicContact CD1-CD1 3.87Å; F14-L191 HydrophobicContact CB-CD1 4.07Å; F14-L191 HydrophobicContact CD1-CD1 3.89Å; F14-L191 HydrophobicContact CD1-CD2 4.12Å; F14-L191 HydrophobicContact CD1-CG 3.88Å; F14-L191 HydrophobicContact CE1-CD2 4.22Å; F14-L191 HydrophobicContact CE1-CG 4.41Å; F14-L191 HydrophobicContact CG-CD1 4.28Å; Q15-L191 CarbonylContact O-C 3.59Å; Q15-L191 VanDerWaalsContact O-CA 3.28Å; Q15-L191 WeakPolarHBondContact O-CA 3.2Å; C16-L191 HydrophobicContact CB-CD1 4.19Å; I49-L191 HydrophobicContact CG2-CD1 4.16Å; Y127-L191 HydrophobicContact CD1-CD2 4.4Å; Y127-L191 HydrophobicContact CD2-CB 4.4Å; Y127-L191 HydrophobicContact CD2-CD2 3.84Å; Y127-L191 HydrophobicContact CE1-CB 4.01Å; Y127-L191 WeakPolarHBondContact CE1-O 3.09Å; Y127-L191 HydrophobicContact CE2-CB 3.81Å; Y127-L191 HydrophobicContact CE2-CD2 4.09Å; Y127-L191 HydrophobicContact CG-CD2 4.02Å; Y127-L191 PolarHBondContact OH-N 2.83Å; V136-L191 HydrophobicContact CB-CD2 4.21Å; V136-L191 HydrophobicContact CG1-CD2 3.55Å; V138-L191 HydrophobicContact CG2-CB 4.06Å; V138-L191 HydrophobicContact CG2-CD2 3.97Å; V138-L191 HydrophobicContact CG2-CG 4.41Å
192R92.6Very high90.9Very high25 Ų2544 Ų449%0.09425%0.25CS..EExtended strand (participates in β ladder)trans-137.5134.9177.8-63.3-63.5179.4-87.5-3.7110.9F14 Q15 Y156 F161 L189 S190 M194F14-R192 CarbonylContact C-O 3.54Å; F14-R192 VanDerWaalsContact CA-O 3.28Å; F14-R192 WeakPolarHBondContact CA-O 3.48Å; F14-R192 WeakPolarHBondContact CD1-O 3.41Å; Q15-R192 PolarHBondContact N-O 2.95Å; Q15-R192 PolarHBondContact O-N 3.08Å; Y156-R192 PolarHBondContact OH-NH2 2.91Å; F161-R192 HydrophobicContact CZ-CG 3.99Å; L189-R192 PolarHBondContact O-NH1 3.35Å; S190-R192 PolarHBondContact O-N 3.04Å; R192-M194 HydrophobicContact CB-SD 4.26Å
193L94Very high90.9Very high20 Ų2041.2 Ų41.211%0.10524%0.236CC..EExtended strand (participates in β ladder)trans-76.6122.1168.4-17567000109.6F14 D94 Y96 Y129 F132 I198 F199F14-L193 HydrophobicContact CD1-CB 4.35Å; F14-L193 HydrophobicContact CD1-CD1 4.25Å; F14-L193 HydrophobicContact CD2-CD1 4.3Å; F14-L193 HydrophobicContact CE1-CB 3.93Å; F14-L193 HydrophobicContact CE1-CD1 3.72Å; F14-L193 HydrophobicContact CE1-CG 4.43Å; F14-L193 HydrophobicContact CE2-CD1 3.77Å; F14-L193 HydrophobicContact CZ-CB 4.48Å; F14-L193 HydrophobicContact CZ-CD1 3.46Å; F14-L193 VanDerWaalsContact CZ-CD1 3.46Å; D94-L193 WeakPolarHBondContact OD2-CB 2.93Å; D94-L193 PolarHBondContact OD2-N 3.47Å; Y96-L193 HydrophobicContact CD2-CD2 3.78Å; Y96-L193 HydrophobicContact CE2-CD2 4.41Å; Y96-L193 HydrophobicContact CG-CD2 4.38Å; Y129-L193 HydrophobicContact CD1-CD2 4.08Å; Y129-L193 HydrophobicContact CE1-CB 3.86Å; Y129-L193 HydrophobicContact CE1-CD2 3.74Å; Y129-L193 HydrophobicContact CE1-CG 4.39Å; F132-L193 HydrophobicContact CE2-CD2 3.97Å; L193-I198 HydrophobicContact CD1-CG2 4.1Å; L193-F199 HydrophobicContact CD1-CE2 3.84Å; L193-F199 HydrophobicContact CD1-CZ 4.48Å; L193-F199 HydrophobicContact CD2-CE2 3.88Å
194M93.1Very high90.9Very high114 Ų11442.8 Ų42.856%0.56225%0.245SC*.SBendtrans-104.1-32.8179.1-57.5-56.8-66.900111.4G12 A13 Q15 R192G12-M194 WeakPolarHBondContact O-CB 3.34Å; A13-M194 WeakPolarHBondContact O-CA 3.24Å; A13-M194 PolarHBondContact O-N 3.46Å; Q15-M194 HydrophobicContact CB-CG 3.81Å; Q15-M194 HydrophobicContact CB-SD 4.18Å; R192-M194 HydrophobicContact CB-SD 4.26Å
195N93.2Very high90.8Very high76 Ų7645.3 Ų45.341%0.40626%0.259SS..  trans-142.8111.7178.1-176-2000110.9A13 N197 I198A13-N195 PolarHBondContact O-N 3.46Å; N195-N197 PolarHBondContact O-N 3.5Å; N195-N197 VanDerWaalsContact OD1-CB 3.3Å; N195-N197 WeakPolarHBondContact OD1-CB 3.21Å; N195-N197 PolarHBondContact OD1-N 3.27Å; N195-N197 VanDerWaalsContact OD1-N 3.07Å; N195-N197 PolarHBondContact OD1-ND2 3.46Å; N195-I198 WeakPolarHBondContact O-CG2 3.48Å
196S92.6Very high90.7Very high30 Ų3048 Ų4821%0.2128%0.275CS..G310 helixtrans-72.3-9-178.854.80000114.7F132 I198 F199F132-S196 VanDerWaalsContact CZ-CB 3.45Å; S196-I198 PolarHBondContact O-N 3.22Å; S196-I198 VanDerWaalsContact O-N 3.07Å; S196-F199 PolarHBondContact O-N 3.4Å; S196-F199 VanDerWaalsContact O-N 3.09Å
197N93Very high90.7Very high107 Ų10749.4 Ų49.457%0.57228%0.282SS*.G310 helixtrans-60.8-18.9177.5-71-14.3000113.1N195 F199 V200N195-N197 PolarHBondContact O-N 3.5Å; N195-N197 VanDerWaalsContact OD1-CB 3.3Å; N195-N197 WeakPolarHBondContact OD1-CB 3.21Å; N195-N197 PolarHBondContact OD1-N 3.27Å; N195-N197 VanDerWaalsContact OD1-N 3.07Å; N195-N197 PolarHBondContact OD1-ND2 3.46Å; N197-F199 PolarHBondContact O-N 2.94Å; N197-F199 VanDerWaalsContact O-N 3.16Å; N197-V200 PolarHBondContact O-N 2.9Å
198I94.2Very high90.4Very high42 Ų4252.9 Ų52.922%0.21530%0.302CS..G310 helixtrans-57-24.9173.8-170.4159.2000113.3F10 A13 F14 I51 L193 N195 S196F10-I198 HydrophobicContact CB-CD1 3.3Å; F10-I198 HydrophobicContact CD1-CD1 4.4Å; F10-I198 HydrophobicContact CD2-CD1 4.32Å; F10-I198 HydrophobicContact CG-CD1 3.79Å; A13-I198 HydrophobicContact CB-CB 3.68Å; A13-I198 HydrophobicContact CB-CD1 3.52Å; A13-I198 HydrophobicContact CB-CG1 4.17Å; A13-I198 HydrophobicContact CB-CG2 3.95Å; F14-I198 HydrophobicContact CD2-CD1 4.18Å; F14-I198 HydrophobicContact CE2-CD1 4.18Å; F14-I198 HydrophobicContact CE2-CG2 3.95Å; I51-I198 HydrophobicContact CD1-CD1 3.44Å; I51-I198 VanDerWaalsContact CD1-CD1 3.44Å; I51-I198 HydrophobicContact CD1-CG1 4.08Å; L193-I198 HydrophobicContact CD1-CG2 4.1Å; N195-I198 WeakPolarHBondContact O-CG2 3.48Å; S196-I198 PolarHBondContact O-N 3.22Å; S196-I198 VanDerWaalsContact O-N 3.07Å
199F92.4Very high90Very high39 Ų3957 Ų5717%0.17133%0.325CS..G310 helixtrans-93.1-1.5178.9-57.7-63.4000114.2F14 I51 Y129 F132 A134 V136 L193 S196 N197F14-F199 HydrophobicContact CE2-CZ 4.23Å; F14-F199 HydrophobicContact CZ-CE2 4.3Å; F14-F199 AromaticContact CZ-CZ 3.75Å; F14-F199 HydrophobicContact CZ-CZ 3.75Å; I51-F199 HydrophobicContact CG2-CE1 4.01Å; Y129-F199 HydrophobicContact CD1-CE2 4.36Å; Y129-F199 AromaticContact CD2-CZ 3.91Å; Y129-F199 HydrophobicContact CD2-CZ 3.91Å; Y129-F199 HydrophobicContact CE2-CZ 4.48Å; Y129-F199 HydrophobicContact CG-CE2 4.17Å; Y129-F199 AromaticContact CG-CZ 3.95Å; Y129-F199 HydrophobicContact CG-CZ 3.95Å; F132-F199 HydrophobicContact CB-CB 3.71Å; F132-F199 HydrophobicContact CB-CD1 4.15Å; F132-F199 HydrophobicContact CB-CD2 3.64Å; F132-F199 HydrophobicContact CB-CE2 4.18Å; F132-F199 HydrophobicContact CB-CG 3.58Å; F132-F199 HydrophobicContact CD1-CB 4.08Å; F132-F199 HydrophobicContact CD1-CD2 4.07Å; F132-F199 HydrophobicContact CD1-CG 4.41Å; F132-F199 AromaticContact CD2-CD2 3.27Å; F132-F199 HydrophobicContact CD2-CD2 3.27Å; F132-F199 AromaticContact CD2-CE2 3.45Å; F132-F199 HydrophobicContact CD2-CE2 3.45Å; F132-F199 VanDerWaalsContact CD2-CE2 3.45Å; F132-F199 HydrophobicContact CD2-CG 4.14Å; F132-F199 HydrophobicContact CD2-CZ 4.44Å; F132-F199 AromaticContact CE2-CD2 3.96Å; F132-F199 HydrophobicContact CE2-CD2 3.96Å; F132-F199 HydrophobicContact CE2-CE2 4.14Å; F132-F199 HydrophobicContact CG-CB 3.91Å; F132-F199 AromaticContact CG-CD2 3.37Å; F132-F199 HydrophobicContact CG-CD2 3.37Å; F132-F199 AromaticContact CG-CE2 3.98Å; F132-F199 HydrophobicContact CG-CE2 3.98Å; F132-F199 AromaticContact CG-CG 3.79Å; F132-F199 HydrophobicContact CG-CG 3.79Å; A134-F199 HydrophobicContact CB-CD1 3.6Å; A134-F199 HydrophobicContact CB-CE1 3.31Å; A134-F199 HydrophobicContact CB-CZ 4.13Å; V136-F199 HydrophobicContact CG2-CE1 4.46Å; V136-F199 HydrophobicContact CG2-CZ 4.33Å; L193-F199 HydrophobicContact CD1-CE2 3.84Å; L193-F199 HydrophobicContact CD1-CZ 4.48Å; L193-F199 HydrophobicContact CD2-CE2 3.88Å; S196-F199 PolarHBondContact O-N 3.4Å; S196-F199 VanDerWaalsContact O-N 3.09Å; N197-F199 PolarHBondContact O-N 2.94Å; N197-F199 VanDerWaalsContact O-N 3.16Å
200V85.4Confident89.8Confident110 Ų11060.9 Ų60.967%0.66735%0.348SS*.  trans-101.9-1.4-171.9-173.50000112.1N197N197-V200 PolarHBondContact O-N 2.9Å
201S59.7Low89.5Confident167 Ų16766.4 Ų66.4100%1.16838%0.379SS*.  trans-84.10179.656.60000113.6

Retrieved 201 of 201 residues in 548.7 ms (Link to these results)

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