A0A087Y6L7_POEFO Loading...

Phosphomannomutase

Involved in the synthesis of the GDP-mannose and dolichol-phosphate-mannose required for a number of critical mannosyl transfer reactions.

AlphaFold DB , UniProt , Accession A0A087Y6L7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 286 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
1M43.6Very low53Low195 Ų195106.7 Ų106.796%0.96159%0.59SS**  0101.30-85.2173.4168.500106.5T3M1-T3 PolarHBondContact O-N 2.99Å
2E36.4Very low56.2Low173 Ų173103.2 Ų103.281%0.80857%0.569SS**  trans-78.7116.8-174.9-73.5176.515500109.8L4E2-L4 PolarHBondContact O-N 3.15Å; E2-L4 VanDerWaalsContact O-N 3.16Å
3T37.4Very low59.3Low100 Ų10099.2 Ų99.261%0.61355%0.546SS*.  trans-74.791.3168.543.30000109M1 N5M1-T3 PolarHBondContact O-N 2.99Å; T3-N5 PolarHBondContact O-N 3.39Å
4L39.1Very low62.1Low142 Ų14292.1 Ų92.174%0.74351%0.507SS*.SBendtrans-73.2120.6159.5-82.8155.2000107.5E2 G6E2-L4 PolarHBondContact O-N 3.15Å; E2-L4 VanDerWaalsContact O-N 3.16Å; L4-G6 PolarHBondContact O-N 3.15Å
5N52.8Low64.5Low147 Ų14786 Ų8679%0.78647%0.473SS*.THydrogen-bonded Turntrans63.124.9177.8-62-14.2000117.3T3 F7T3-N5 PolarHBondContact O-N 3.39Å; N5-F7 VanDerWaalsContact C-N 3.26Å; N5-F7 HydrophobicContact CB-CD2 4.24Å; N5-F7 VanDerWaalsContact O-CD2 3.25Å; N5-F7 WeakPolarHBondContact O-CD2 3.09Å; N5-F7 PolarHBondContact O-N 3.29Å
6G55.1Low66.6Low58 Ų5880.6 Ų80.660%0.59844%0.444SS*.THydrogen-bonded Turntrans74.89.717300000115.4L4L4-G6 PolarHBondContact O-N 3.15Å
7F57.4Low68.5Low50 Ų5075.9 Ų75.922%0.21942%0.418CS..SBendtrans-99.8147.3173.5-64.5-75.1000111.3N5 R42 R43N5-F7 VanDerWaalsContact C-N 3.26Å; N5-F7 HydrophobicContact CB-CD2 4.24Å; N5-F7 VanDerWaalsContact O-CD2 3.25Å; N5-F7 WeakPolarHBondContact O-CD2 3.09Å; N5-F7 PolarHBondContact O-N 3.29Å; F7-R42 HydrophobicContact CE1-CB 4.48Å; F7-R42 HydrophobicContact CE1-CG 3.87Å; F7-R42 HydrophobicContact CZ-CG 4.28Å; F7-R43 HydrophobicContact CE1-CG 4.2Å
8S56.9Low70.2Confident72 Ų7272.1 Ų72.150%0.50340%0.397SS..  trans-62.5138.3169.8177.30000110.3Q10S8-Q10 PolarHBondContact O-N 3.09Å
9S55.4Low71.6Confident76 Ų7668.5 Ų68.553%0.53138%0.377SS..THydrogen-bonded Turntrans-69.15.7-176.854.70000115.2
10Q62.7Low72.6Confident133 Ų13367 Ų6762%0.62137%0.368SS*.THydrogen-bonded Turntrans-135.338.9-174.3-70.2-178-23.200112.8S8 N12S8-Q10 PolarHBondContact O-N 3.09Å; Q10-N12 VanDerWaalsContact C-N 3.26Å; Q10-N12 PolarHBondContact O-N 2.8Å
11R86.2Confident73.6Confident28 Ų2864.2 Ų64.211%0.10636%0.355CS..  trans-76.179.8170.3-62.4-170.8-61138.73.2109.7R42 V45 K46 D73R11-R42 VanDerWaalsContact CD-O 3.24Å; R11-R42 WeakPolarHBondContact CD-O 3.4Å; R11-R42 PolarHBondContact NH1-O 3.41Å; R11-V45 PolarHBondContact NH1-O 3.37Å; R11-K46 HydrophobicContact CB-CG 3.97Å; R11-K46 VanDerWaalsContact O-CE 3.26Å; R11-K46 WeakPolarHBondContact O-CE 3.42Å; R11-K46 WeakPolarHBondContact O-CG 3.26Å; R11-D73 IonicContact CZ-OD1 2.65Å; R11-D73 IonicContact CZ-OD2 3.83Å; R11-D73 IonicContact NH1-OD1 3.81Å; R11-D73 PolarHBondContact NH1-OD1 3.48Å; R11-D73 IonicContact NH1-OD2 3.42Å; R11-D73 PolarHBondContact NH1-OD2 3.12Å; R11-D73 IonicContact NH2-OD1 3.83Å; R11-D73 PolarHBondContact NH2-OD1 3.03Å; R11-D73 IonicContact NH2-OD2 2.89Å
12N91.6Very high76.2Confident64 Ų6454.9 Ų54.934%0.34231%0.309SS..  trans-95.3-4.9-179.6-64.5-0.6000113.4Q10 L209 D210Q10-N12 VanDerWaalsContact C-N 3.26Å; Q10-N12 PolarHBondContact O-N 2.8Å; N12-L209 CarbonylContact O-C 3.53Å; N12-L209 WeakPolarHBondContact O-CA 3.49Å; N12-L209 WeakPolarHBondContact O-CB 3.49Å; N12-L209 WeakPolarHBondContact O-CD2 3.17Å; N12-D210 HydrophobicContact CB-CB 4.23Å; N12-D210 WeakPolarHBondContact CB-OD2 3.46Å; N12-D210 PolarHBondContact ND2-OD2 3.45Å; N12-D210 PolarHBondContact O-N 3.38Å
13I96.3Very high79.1Confident52 Ų5246.7 Ų46.727%0.26727%0.271SS..EExtended strand (participates in β ladder)trans-96.4138.5173.1-62.7172.7000108.5V45 K46 Y213 F253I13-V45 HydrophobicContact CB-CB 4.37Å; I13-V45 HydrophobicContact CB-CG1 3.95Å; I13-V45 HydrophobicContact CG2-CB 4.42Å; I13-V45 HydrophobicContact CG2-CG1 4.04Å; I13-K46 PolarHBondContact O-N 3.29Å; I13-Y213 HydrophobicContact CG2-CD2 3.59Å; I13-Y213 HydrophobicContact CG2-CE2 3.7Å; I13-F253 HydrophobicContact CG2-CE1 4.14Å; I13-F253 HydrophobicContact CG2-CZ 4.39Å
14L98.1Very high81.8Confident0 Ų041.9 Ų41.90%024%0.242CC..EExtended strand (participates in β ladder)trans-112.4128.4170.4173.262.8000110.2L16 K46 Y74 L204 L209 A211 I212 Y213L14-L16 HydrophobicContact CD2-CB 4.44Å; L14-L16 HydrophobicContact CG-CB 4.37Å; L14-K46 WeakPolarHBondContact CA-O 3.4Å; L14-K46 HydrophobicContact CB-CB 4.43Å; L14-K46 HydrophobicContact CD1-CB 3.89Å; L14-Y74 HydrophobicContact CD1-CD2 3.94Å; L14-Y74 HydrophobicContact CD1-CE2 4.27Å; L14-Y74 HydrophobicContact CD2-CD2 4.31Å; L14-Y74 HydrophobicContact CD2-CE2 4.46Å; L14-L204 HydrophobicContact CD2-CD1 3.59Å; L14-L204 HydrophobicContact CD2-CD2 3.55Å; L14-L204 HydrophobicContact CD2-CG 4.18Å; L14-L209 HydrophobicContact CB-CD1 3.8Å; L14-L209 HydrophobicContact CB-CD2 4.23Å; L14-L209 HydrophobicContact CD2-CD1 3.88Å; L14-A211 PolarHBondContact N-O 3.39Å; L14-I212 HydrophobicContact CD2-CG2 4.36Å; L14-I212 CarbonylContact O-C 3.48Å; L14-I212 WeakPolarHBondContact O-CA 3.28Å; L14-Y213 PolarHBondContact O-N 2.89Å
15C98.6Very high84.3Confident0 Ų037.6 Ų37.60%022%0.222CC..EExtended strand (participates in β ladder)trans-95.4113.7159.3-64.30000109.1F17 L41 V45 K46 I47 G48 Y213 F215 F253C15-F17 HydrophobicContact CB-CD2 4.47Å; C15-F17 HydrophobicContact CB-CE1 4.34Å; C15-F17 HydrophobicContact CB-CE2 3.49Å; C15-F17 VanDerWaalsContact CB-CE2 3.49Å; C15-F17 HydrophobicContact CB-CZ 3.41Å; C15-F17 VanDerWaalsContact CB-CZ 3.41Å; C15-F17 WeakPolarHBondContact O-CD2 3.49Å; C15-F17 VanDerWaalsContact O-CE2 3.32Å; C15-F17 WeakPolarHBondContact O-CE2 3.44Å; C15-L41 HydrophobicContact CB-CD2 4.45Å; C15-V45 HydrophobicContact CB-CG2 4.48Å; C15-K46 PolarHBondContact N-O 3.07Å; C15-I47 HydrophobicContact CB-CG2 4.43Å; C15-I47 CarbonylContact O-C 3.55Å; C15-I47 VanDerWaalsContact O-CA 3.32Å; C15-I47 WeakPolarHBondContact O-CA 3.41Å; C15-G48 PolarHBondContact O-N 3.15Å; C15-Y213 CarbonylContact C-O 3.45Å; C15-Y213 WeakPolarHBondContact CA-O 3.25Å; C15-F215 HydrophobicContact CB-CE2 3.98Å; C15-F253 WeakPolarHBondContact SG-CE2 3.37Å; C15-F253 WeakPolarHBondContact SG-CZ 3.17Å
16L98.8Very high85.8Confident0 Ų035 Ų350%021%0.213CC..EExtended strand (participates in β ladder)trans-103.9126178-176.263.6000109.2L14 G48 V50 F76 L201 L204 I212 Y213 F214 F215 I228L14-L16 HydrophobicContact CD2-CB 4.44Å; L14-L16 HydrophobicContact CG-CB 4.37Å; L16-G48 WeakPolarHBondContact CA-O 3.41Å; L16-V50 HydrophobicContact CD1-CB 4.2Å; L16-V50 HydrophobicContact CD1-CG1 4.09Å; L16-V50 HydrophobicContact CD2-CG1 4.08Å; L16-V50 HydrophobicContact CG-CG1 3.92Å; L16-F76 HydrophobicContact CD1-CD2 3.94Å; L16-F76 HydrophobicContact CD1-CE2 4.08Å; L16-L201 HydrophobicContact CD2-CD2 4.37Å; L16-L204 HydrophobicContact CD2-CD1 4.17Å; L16-I212 HydrophobicContact CB-CG2 4.21Å; L16-Y213 PolarHBondContact N-O 2.96Å; L16-F214 HydrophobicContact CB-CD2 4.37Å; L16-F214 HydrophobicContact CD2-CD2 4.21Å; L16-F214 HydrophobicContact CG-CD2 4.15Å; L16-F214 CarbonylContact O-C 3.57Å; L16-F214 WeakPolarHBondContact O-CA 3.32Å; L16-F215 PolarHBondContact O-N 3.13Å; L16-I228 HydrophobicContact CD2-CD1 3.76Å
17F98.8Very high86.9Confident0 Ų041.7 Ų41.70%022%0.22CC..EExtended strand (participates in β ladder)trans-116.8137-174.1-56.1-86.1000111C15 T22 L23 F38 L41 I47 G48 I49 V50 F215 T245C15-F17 HydrophobicContact CB-CD2 4.47Å; C15-F17 HydrophobicContact CB-CE1 4.34Å; C15-F17 HydrophobicContact CB-CE2 3.49Å; C15-F17 VanDerWaalsContact CB-CE2 3.49Å; C15-F17 HydrophobicContact CB-CZ 3.41Å; C15-F17 VanDerWaalsContact CB-CZ 3.41Å; C15-F17 WeakPolarHBondContact O-CD2 3.49Å; C15-F17 VanDerWaalsContact O-CE2 3.32Å; C15-F17 WeakPolarHBondContact O-CE2 3.44Å; F17-T22 HydrophobicContact CB-CG2 4.29Å; F17-L23 HydrophobicContact CB-CD1 3.8Å; F17-L23 HydrophobicContact CB-CD2 3.93Å; F17-L23 HydrophobicContact CB-CG 3.85Å; F17-L23 HydrophobicContact CD1-CD2 3.94Å; F17-L23 HydrophobicContact CD2-CD2 4.45Å; F17-L23 HydrophobicContact CG-CD1 4.39Å; F17-L23 HydrophobicContact CG-CD2 3.86Å; F17-L23 HydrophobicContact CG-CG 4.34Å; F17-F38 HydrophobicContact CE1-CE1 4.04Å; F17-F38 HydrophobicContact CE2-CD1 4.48Å; F17-F38 HydrophobicContact CZ-CD1 4.24Å; F17-F38 HydrophobicContact CZ-CE1 4.1Å; F17-L41 HydrophobicContact CE2-CD2 4.34Å; F17-L41 HydrophobicContact CZ-CD2 3.74Å; F17-I47 HydrophobicContact CE2-CB 4.12Å; F17-I47 HydrophobicContact CE2-CG2 4.08Å; F17-G48 WeakPolarHBondContact CD2-O 3.45Å; F17-G48 PolarHBondContact N-O 3.46Å; F17-I49 CarbonylContact O-C 3.48Å; F17-I49 VanDerWaalsContact O-CA 3.27Å; F17-I49 WeakPolarHBondContact O-CA 3.14Å; F17-V50 PolarHBondContact O-N 3.34Å; F17-F215 HydrophobicContact CD1-CB 3.69Å; F17-F215 AromaticContact CD1-CD2 3.68Å; F17-F215 HydrophobicContact CD1-CD2 3.68Å; F17-F215 AromaticContact CD1-CG 3.85Å; F17-F215 HydrophobicContact CD1-CG 3.85Å; F17-F215 HydrophobicContact CE1-CB 4.14Å; F17-F215 HydrophobicContact CE1-CD1 4.5Å; F17-F215 AromaticContact CE1-CD2 3.38Å; F17-F215 HydrophobicContact CE1-CD2 3.38Å; F17-F215 AromaticContact CE1-CE2 3.87Å; F17-F215 HydrophobicContact CE1-CE2 3.87Å; F17-F215 AromaticContact CE1-CG 3.76Å; F17-F215 HydrophobicContact CE1-CG 3.76Å; F17-F215 HydrophobicContact CZ-CD2 4.1Å; F17-F215 HydrophobicContact CZ-CE2 4.25Å; F17-T245 HydrophobicContact CD1-CG2 3.78Å; F17-T245 HydrophobicContact CE1-CG2 3.72Å
18D98.2Very high88.4Confident7 Ų745 Ų454%0.03724%0.237CC..  trans-60.9164.4151.3169.260.8000110.9D20 T22 L23 V50 K197 F214 F215 N217D18-D20 PolarHBondContact OD2-N 3.3Å; D18-T22 HydrophobicContact CB-CG2 4.14Å; D18-T22 WeakPolarHBondContact CB-OG1 3.49Å; D18-T22 VanDerWaalsContact O-CB 3.28Å; D18-T22 WeakPolarHBondContact O-CB 3.2Å; D18-T22 VanDerWaalsContact O-CG2 3.25Å; D18-T22 WeakPolarHBondContact O-CG2 3.46Å; D18-T22 WeakPolarHBondContact OD2-CB 3.42Å; D18-T22 PolarHBondContact OD2-OG1 3.01Å; D18-L23 WeakPolarHBondContact O-CG 3.26Å; D18-V50 WeakPolarHBondContact CA-O 3.49Å; D18-K197 VanDerWaalsContact CG-NZ 3.33Å; D18-K197 IonicContact OD1-NZ 3.7Å; D18-K197 PolarHBondContact OD1-NZ 2.84Å; D18-F214 HydrophobicContact CB-CZ 4.4Å; D18-F215 PolarHBondContact N-O 3.49Å; D18-N217 PolarHBondContact OD2-OD1 3.31Å
19V96.3Very high90.2Very high4 Ų447.8 Ų47.82%0.02424%0.24CC..SBendtrans-99.4-64.3-178.3-175.20000112G21 T22 L23 T24 I49 L62V19-G21 PolarHBondContact O-N 2.99Å; V19-T22 PolarHBondContact O-N 3.3Å; V19-L23 PolarHBondContact O-N 2.96Å; V19-T24 PolarHBondContact O-N 2.87Å; V19-I49 HydrophobicContact CG2-CB 4.28Å; V19-L62 HydrophobicContact CG1-CD1 4.08Å; V19-L62 HydrophobicContact CG1-CD2 4.39Å; V19-L62 HydrophobicContact CG1-CG 4.27Å; V19-L62 HydrophobicContact CG2-CD1 4.21Å
20D93.4Very high92.1Very high38 Ų3845.1 Ų45.120%0.20322%0.219CC..BIsolated β-bridgetrans-78.9107.9-166.8-86.8-32.7000111.8D18 T22 R27 K57 Q61 N217D18-D20 PolarHBondContact OD2-N 3.3Å; D20-T22 VanDerWaalsContact C-N 3.28Å; D20-R27 PolarHBondContact OD1-N 2.81Å; D20-K57 IonicContact OD2-NZ 2.97Å; D20-Q61 PolarHBondContact OD1-NE2 3.17Å; D20-N217 PolarHBondContact O-ND2 3.5Å; D20-N217 PolarHBondContact O-OD1 3.42Å
21G93.3Very high93.7Very high9 Ų942.4 Ų42.49%0.09321%0.209CC..THydrogen-bonded Turntrans88-7.6-175.500000113.9V19 T24V19-G21 PolarHBondContact O-N 2.99Å; G21-T24 WeakPolarHBondContact CA-O 3.27Å; G21-T24 PolarHBondContact N-O 3.35Å
22T97.9Very high94.2Very high0 Ų045.5 Ų45.50%023%0.233CC..THydrogen-bonded Turntrans-103.5-47.6177.6-61.80000112F17 D18 V19 D20 F215 N217 V239 P242 T245F17-T22 HydrophobicContact CB-CG2 4.29Å; D18-T22 HydrophobicContact CB-CG2 4.14Å; D18-T22 WeakPolarHBondContact CB-OG1 3.49Å; D18-T22 VanDerWaalsContact O-CB 3.28Å; D18-T22 WeakPolarHBondContact O-CB 3.2Å; D18-T22 VanDerWaalsContact O-CG2 3.25Å; D18-T22 WeakPolarHBondContact O-CG2 3.46Å; D18-T22 WeakPolarHBondContact OD2-CB 3.42Å; D18-T22 PolarHBondContact OD2-OG1 3.01Å; V19-T22 PolarHBondContact O-N 3.3Å; D20-T22 VanDerWaalsContact C-N 3.28Å; T22-F215 HydrophobicContact CG2-CB 4.21Å; T22-F215 WeakPolarHBondContact CG2-O 3.43Å; T22-N217 PolarHBondContact OG1-N 2.94Å; T22-V239 HydrophobicContact CG2-CG2 3.91Å; T22-P242 WeakPolarHBondContact O-CA 3.38Å; T22-T245 HydrophobicContact CG2-CG2 4.49Å; T22-T245 WeakPolarHBondContact O-CB 3.44Å; T22-T245 PolarHBondContact O-OG1 3.21Å
23L97.2Very high94.4Very high0 Ų050.2 Ų50.20%025%0.25CS..THydrogen-bonded Turntrans-108.9-30.3176.4-67.3-179.6000112.8F17 D18 V19 F38 I49 L62 F72 P242F17-L23 HydrophobicContact CB-CD1 3.8Å; F17-L23 HydrophobicContact CB-CD2 3.93Å; F17-L23 HydrophobicContact CB-CG 3.85Å; F17-L23 HydrophobicContact CD1-CD2 3.94Å; F17-L23 HydrophobicContact CD2-CD2 4.45Å; F17-L23 HydrophobicContact CG-CD1 4.39Å; F17-L23 HydrophobicContact CG-CD2 3.86Å; F17-L23 HydrophobicContact CG-CG 4.34Å; D18-L23 WeakPolarHBondContact O-CG 3.26Å; V19-L23 PolarHBondContact O-N 2.96Å; L23-F38 HydrophobicContact CD2-CD1 4.15Å; L23-F38 HydrophobicContact CD2-CD2 4.06Å; L23-F38 HydrophobicContact CD2-CE1 3.55Å; L23-F38 HydrophobicContact CD2-CE2 3.46Å; L23-F38 VanDerWaalsContact CD2-CE2 3.46Å; L23-F38 HydrophobicContact CD2-CG 4.41Å; L23-F38 HydrophobicContact CD2-CZ 3.17Å; L23-I49 HydrophobicContact CD1-CG2 3.53Å; L23-L62 HydrophobicContact CB-CD2 4.32Å; L23-L62 HydrophobicContact CD1-CD1 4.37Å; L23-L62 HydrophobicContact CD1-CD2 4.34Å; L23-F72 HydrophobicContact CD1-CE1 4.33Å; L23-F72 HydrophobicContact CD1-CZ 4.24Å; L23-P242 WeakPolarHBondContact O-CB 3.41Å
24T94.3Very high94.4Very high0 Ų048.7 Ų48.70%024%0.243CC..BIsolated β-bridgetrans-130.3161.5179.771.30000110V19 G21 E28 I30 Q61 L62V19-T24 PolarHBondContact O-N 2.87Å; G21-T24 WeakPolarHBondContact CA-O 3.27Å; G21-T24 PolarHBondContact N-O 3.35Å; T24-E28 WeakPolarHBondContact CB-O 3.46Å; T24-E28 PolarHBondContact OG1-O 2.72Å; T24-I30 HydrophobicContact CG2-CB 3.75Å; T24-I30 HydrophobicContact CG2-CG1 4.29Å; T24-Q61 PolarHBondContact OG1-NE2 3.48Å; T24-L62 HydrophobicContact CG2-CD2 3.66Å
25P90.8Very high94.3Very high52 Ų5250 Ų5034%0.33825%0.25SC..SBendtrans-57152.8157.3-17.230.5000110.2R27 E28P25-R27 PolarHBondContact O-N 2.99Å; P25-R27 VanDerWaalsContact O-N 3.14Å; P25-E28 HydrophobicContact CB-CB 4.01Å; P25-E28 HydrophobicContact CB-CG 4.17Å; P25-E28 HydrophobicContact CG-CB 4.32Å; P25-E28 PolarHBondContact O-N 3.36Å
26P84.4Confident94.3Very high91 Ų9156.4 Ų56.459%0.59128%0.279SS*.THydrogen-bonded Turntrans-56.8120.2-175.2-26.735.1000113E28P26-E28 PolarHBondContact O-N 2.76Å
27R77.9Confident94.2Very high199 Ų19957.4 Ų57.475%0.75128%0.284SS*.THydrogen-bonded Turntrans61.719.1-178.9-49.9-179.3-178.5175.61.4115.1D20 P25D20-R27 PolarHBondContact OD1-N 2.81Å; P25-R27 PolarHBondContact O-N 2.99Å; P25-R27 VanDerWaalsContact O-N 3.14Å
28E90Very high94.2Very high121 Ų12157.4 Ų57.457%0.56528%0.284SS*.SBendtrans-106.9166.4175.2-62.5-171-170.300111.1T24 P25 P26 Q61T24-E28 WeakPolarHBondContact CB-O 3.46Å; T24-E28 PolarHBondContact OG1-O 2.72Å; P25-E28 HydrophobicContact CB-CB 4.01Å; P25-E28 HydrophobicContact CB-CG 4.17Å; P25-E28 HydrophobicContact CG-CB 4.32Å; P25-E28 PolarHBondContact O-N 3.36Å; P26-E28 PolarHBondContact O-N 2.76Å; E28-Q61 WeakPolarHBondContact O-CG 3.49Å; E28-Q61 PolarHBondContact O-NE2 3.34Å
29K94.6Very high94.1Very high129 Ų12959.2 Ų59.256%0.56129%0.292SS*.PPolyproline II helixtrans-72.5150.3174.6-69.9-163.7171.6-167.20111.2E60 Q61K29-E60 WeakPolarHBondContact CE-O 3.13Å; K29-E60 WeakPolarHBondContact CG-O 3.37Å; K29-Q61 CarbonylContact C-O 3.51Å; K29-Q61 WeakPolarHBondContact CA-O 3.22Å
30I95.9Very high94.1Very high21 Ų2160.6 Ų60.611%0.10830%0.302CS..PPolyproline II helixtrans-62.9137.9172.8-166.7165.2000111.1T24 L34 D35 F38 Q61 L62T24-I30 HydrophobicContact CG2-CB 3.75Å; T24-I30 HydrophobicContact CG2-CG1 4.29Å; I30-L34 HydrophobicContact CD1-CB 4.5Å; I30-L34 HydrophobicContact CG1-CB 4.16Å; I30-D35 HydrophobicContact CD1-CB 4.06Å; I30-D35 HydrophobicContact CG1-CB 4.3Å; I30-D35 HydrophobicContact CG2-CB 4.24Å; I30-F38 HydrophobicContact CD1-CD2 4.05Å; I30-F38 HydrophobicContact CD1-CE2 4.33Å; I30-Q61 PolarHBondContact N-O 2.93Å; I30-L62 HydrophobicContact CB-CD2 4.07Å; I30-L62 HydrophobicContact CD1-CD2 4.01Å; I30-L62 HydrophobicContact CG2-CD2 4.49Å
31D96.1Very high94.3Very high76 Ų7658.8 Ų58.841%0.40629%0.292SS..PPolyproline II helixtrans-66.2131.1170.5-177.5-55.5000109.2K33 L34 D35D31-K33 PolarHBondContact O-N 2.97Å; D31-K33 VanDerWaalsContact O-N 3.12Å; D31-K33 VanDerWaalsContact OD1-CB 3.32Å; D31-K33 WeakPolarHBondContact OD1-CB 3.17Å; D31-K33 PolarHBondContact OD1-N 3.03Å; D31-L34 HydrophobicContact CB-CB 4.31Å; D31-L34 HydrophobicContact CB-CD1 3.81Å; D31-L34 HydrophobicContact CB-CG 3.9Å; D31-L34 WeakPolarHBondContact O-CB 3.39Å; D31-L34 PolarHBondContact O-N 3.48Å; D31-D35 PolarHBondContact O-N 3.1Å
32P95.9Very high94.4Very high93 Ų9359.6 Ų59.660%0.60429%0.292SS*.Hα-helixtrans-52.2-34.9179.9-28.735.5000114.7D35 E36P32-D35 PolarHBondContact O-N 3.4Å; P32-E36 WeakPolarHBondContact O-CG 3.49Å; P32-E36 PolarHBondContact O-N 2.88Å
33K96.4Very high94.2Very high163 Ų16366.4 Ų66.471%0.70932%0.318SS*.Hα-helixtrans-70.6-35.3178.2-63.9178.6-179.5173.10112.3D31 F37D31-K33 PolarHBondContact O-N 2.97Å; D31-K33 VanDerWaalsContact O-N 3.12Å; D31-K33 VanDerWaalsContact OD1-CB 3.32Å; D31-K33 WeakPolarHBondContact OD1-CB 3.17Å; D31-K33 PolarHBondContact OD1-N 3.03Å; K33-F37 PolarHBondContact O-N 2.94Å
34L95.9Very high94.1Very high20 Ų2071.1 Ų71.111%0.10534%0.339CS..Hα-helixtrans-68.3-42.7174.4-62.7176.5000109.6I30 D31 E36 F37 F38 P242 V246I30-L34 HydrophobicContact CD1-CB 4.5Å; I30-L34 HydrophobicContact CG1-CB 4.16Å; D31-L34 HydrophobicContact CB-CB 4.31Å; D31-L34 HydrophobicContact CB-CD1 3.81Å; D31-L34 HydrophobicContact CB-CG 3.9Å; D31-L34 WeakPolarHBondContact O-CB 3.39Å; D31-L34 PolarHBondContact O-N 3.48Å; L34-E36 PolarHBondContact O-N 3.11Å; L34-F37 WeakPolarHBondContact O-CB 3.27Å; L34-F37 PolarHBondContact O-N 3.21Å; L34-F37 VanDerWaalsContact O-N 3.12Å; L34-F38 HydrophobicContact CB-CE2 4.14Å; L34-F38 WeakPolarHBondContact O-CD2 3.42Å; L34-F38 PolarHBondContact O-N 3Å; L34-P242 HydrophobicContact CD1-CB 3.44Å; L34-P242 VanDerWaalsContact CD1-CB 3.44Å; L34-P242 HydrophobicContact CD1-CG 4.41Å; L34-V246 HydrophobicContact CD2-CG2 3.57Å
35D96.4Very high94.2Very high28 Ų2871.4 Ų71.415%0.1534%0.341CS..Hα-helixtrans-58.7-48.5176-171.156.3000112.5I30 D31 P32 F37 F38 Q39 K71I30-D35 HydrophobicContact CD1-CB 4.06Å; I30-D35 HydrophobicContact CG1-CB 4.3Å; I30-D35 HydrophobicContact CG2-CB 4.24Å; D31-D35 PolarHBondContact O-N 3.1Å; P32-D35 PolarHBondContact O-N 3.4Å; D35-F37 PolarHBondContact O-N 3.06Å; D35-F38 PolarHBondContact O-N 3.46Å; D35-F38 VanDerWaalsContact O-N 3.07Å; D35-Q39 WeakPolarHBondContact O-CG 3.14Å; D35-Q39 PolarHBondContact O-N 2.8Å; D35-K71 VanDerWaalsContact CG-CE 3.47Å; D35-K71 WeakPolarHBondContact OD1-CE 3.39Å; D35-K71 IonicContact OD1-NZ 3.74Å; D35-K71 PolarHBondContact OD1-NZ 3.4Å; D35-K71 WeakPolarHBondContact OD2-CE 3.32Å; D35-K71 IonicContact OD2-NZ 2.69Å; D35-K71 PolarHBondContact OD2-NZ 3.2Å
36E97Very high94.5Very high133 Ų13370.9 Ų70.962%0.62133%0.333SS*.Hα-helixtrans-55.2-37.7174.2-77.7178.2-175.800112.6P32 L34 S40P32-E36 WeakPolarHBondContact O-CG 3.49Å; P32-E36 PolarHBondContact O-N 2.88Å; L34-E36 PolarHBondContact O-N 3.11Å; E36-S40 WeakPolarHBondContact O-CB 3.41Å; E36-S40 PolarHBondContact O-N 2.77Å; E36-S40 PolarHBondContact O-OG 2.8Å
37F97.6Very high95.1Very high21 Ų2166.6 Ų66.69%0.09231%0.305CS..Hα-helixtrans-66-47.4174.9173.8-91000111.8K33 L34 D35 Q39 S40 L41 V246 C249 R250 F254K33-F37 PolarHBondContact O-N 2.94Å; L34-F37 WeakPolarHBondContact O-CB 3.27Å; L34-F37 PolarHBondContact O-N 3.21Å; L34-F37 VanDerWaalsContact O-N 3.12Å; D35-F37 PolarHBondContact O-N 3.06Å; F37-Q39 VanDerWaalsContact C-N 3.32Å; F37-Q39 PolarHBondContact O-N 3Å; F37-S40 CarbonylContact O-C 3.55Å; F37-S40 WeakPolarHBondContact O-CA 3.45Å; F37-S40 VanDerWaalsContact O-CB 3.28Å; F37-S40 WeakPolarHBondContact O-CB 3.33Å; F37-S40 PolarHBondContact O-N 2.97Å; F37-L41 PolarHBondContact O-N 2.83Å; F37-V246 HydrophobicContact CD1-CB 4.11Å; F37-V246 HydrophobicContact CD1-CG1 3.84Å; F37-V246 HydrophobicContact CD1-CG2 3.56Å; F37-V246 HydrophobicContact CD2-CG1 3.83Å; F37-V246 HydrophobicContact CE1-CB 4.09Å; F37-V246 HydrophobicContact CE1-CG1 3.89Å; F37-V246 HydrophobicContact CE1-CG2 3.95Å; F37-V246 HydrophobicContact CE2-CG1 3.88Å; F37-V246 HydrophobicContact CG-CG1 3.8Å; F37-V246 HydrophobicContact CG-CG2 4.08Å; F37-V246 HydrophobicContact CZ-CB 4.48Å; F37-V246 HydrophobicContact CZ-CG1 3.9Å; F37-V246 WeakPolarHBondContact CZ-O 3.48Å; F37-C249 HydrophobicContact CE1-CB 3.69Å; F37-C249 HydrophobicContact CZ-CB 3.7Å; F37-R250 HydrophobicContact CE2-CB 4.37Å; F37-R250 HydrophobicContact CZ-CB 4.41Å; F37-F254 HydrophobicContact CE2-CD2 4.39Å; F37-F254 HydrophobicContact CE2-CE2 4.01Å; F37-F254 HydrophobicContact CZ-CD2 4.44Å; F37-F254 HydrophobicContact CZ-CE2 4.01Å
38F97.6Very high96.1Very high0 Ų057.1 Ų57.10%027%0.269CS..Hα-helixtrans-65-36.6179.4-66.9-63.8000111.9F17 L23 I30 L34 D35 S40 L41 R42 I47 T245 V246F17-F38 HydrophobicContact CE1-CE1 4.04Å; F17-F38 HydrophobicContact CE2-CD1 4.48Å; F17-F38 HydrophobicContact CZ-CD1 4.24Å; F17-F38 HydrophobicContact CZ-CE1 4.1Å; L23-F38 HydrophobicContact CD2-CD1 4.15Å; L23-F38 HydrophobicContact CD2-CD2 4.06Å; L23-F38 HydrophobicContact CD2-CE1 3.55Å; L23-F38 HydrophobicContact CD2-CE2 3.46Å; L23-F38 VanDerWaalsContact CD2-CE2 3.46Å; L23-F38 HydrophobicContact CD2-CG 4.41Å; L23-F38 HydrophobicContact CD2-CZ 3.17Å; I30-F38 HydrophobicContact CD1-CD2 4.05Å; I30-F38 HydrophobicContact CD1-CE2 4.33Å; L34-F38 HydrophobicContact CB-CE2 4.14Å; L34-F38 WeakPolarHBondContact O-CD2 3.42Å; L34-F38 PolarHBondContact O-N 3Å; D35-F38 PolarHBondContact O-N 3.46Å; D35-F38 VanDerWaalsContact O-N 3.07Å; F38-S40 PolarHBondContact O-N 2.82Å; F38-L41 HydrophobicContact CD1-CD2 4.32Å; F38-L41 WeakPolarHBondContact O-CB 3.44Å; F38-L41 PolarHBondContact O-N 2.93Å; F38-R42 WeakPolarHBondContact O-CB 3.19Å; F38-R42 PolarHBondContact O-N 3.17Å; F38-I47 HydrophobicContact CB-CD1 4.28Å; F38-T245 HydrophobicContact CE1-CG2 4.19Å; F38-T245 HydrophobicContact CZ-CG2 4.15Å; F38-V246 HydrophobicContact CE2-CG2 4.29Å; F38-V246 HydrophobicContact CZ-CG2 3.91Å
39Q97.3Very high96.5Very high46 Ų4651.3 Ų51.322%0.21524%0.242CC..Hα-helixtrans-63.1-33170.7-62.5-45.2-52.100112.1D35 F37 K71D35-Q39 WeakPolarHBondContact O-CG 3.14Å; D35-Q39 PolarHBondContact O-N 2.8Å; F37-Q39 VanDerWaalsContact C-N 3.32Å; F37-Q39 PolarHBondContact O-N 3Å; Q39-K71 PolarHBondContact NE2-O 2.87Å; Q39-K71 PolarHBondContact OE1-O 2.91Å
40S96.4Very high96.7Very high33 Ų3345.2 Ų45.223%0.23122%0.215CC..Hα-helixtrans-71.2-39.1173.2-59.40000112.8E36 F37 F38 R42 R43E36-S40 WeakPolarHBondContact O-CB 3.41Å; E36-S40 PolarHBondContact O-N 2.77Å; E36-S40 PolarHBondContact O-OG 2.8Å; F37-S40 CarbonylContact O-C 3.55Å; F37-S40 WeakPolarHBondContact O-CA 3.45Å; F37-S40 VanDerWaalsContact O-CB 3.28Å; F37-S40 WeakPolarHBondContact O-CB 3.33Å; F37-S40 PolarHBondContact O-N 2.97Å; F38-S40 PolarHBondContact O-N 2.82Å; S40-R42 VanDerWaalsContact C-N 3.34Å; S40-R43 VanDerWaalsContact CB-NH2 3.34Å; S40-R43 PolarHBondContact O-N 3.35Å; S40-R43 PolarHBondContact OG-NH2 2.85Å
41L96.5Very high96.6Very high0 Ų044.3 Ų44.30%021%0.212CC..Hα-helixtrans-63-41.2173.8177.565000111.2C15 F17 F37 F38 R43 K44 V45 I47 C249 F253 F254C15-L41 HydrophobicContact CB-CD2 4.45Å; F17-L41 HydrophobicContact CE2-CD2 4.34Å; F17-L41 HydrophobicContact CZ-CD2 3.74Å; F37-L41 PolarHBondContact O-N 2.83Å; F38-L41 HydrophobicContact CD1-CD2 4.32Å; F38-L41 WeakPolarHBondContact O-CB 3.44Å; F38-L41 PolarHBondContact O-N 2.93Å; L41-R43 PolarHBondContact O-N 2.77Å; L41-R43 VanDerWaalsContact O-N 3.12Å; L41-K44 WeakPolarHBondContact O-CA 3.4Å; L41-K44 WeakPolarHBondContact O-CB 3.45Å; L41-K44 PolarHBondContact O-N 3.26Å; L41-V45 HydrophobicContact CD1-CG2 3.67Å; L41-V45 HydrophobicContact CG-CG2 3.77Å; L41-V45 PolarHBondContact O-N 3.37Å; L41-I47 HydrophobicContact CD2-CG2 3.99Å; L41-I47 HydrophobicContact CG-CG2 4.01Å; L41-C249 HydrophobicContact CD2-CB 4.03Å; L41-F253 HydrophobicContact CD1-CB 3.84Å; L41-F253 HydrophobicContact CD1-CD2 3.66Å; L41-F253 HydrophobicContact CD1-CG 3.9Å; L41-F254 HydrophobicContact CB-CE2 4.24Å; L41-F254 HydrophobicContact CB-CZ 4.36Å; L41-F254 HydrophobicContact CD1-CE2 3.8Å; L41-F254 HydrophobicContact CD1-CZ 4.49Å
42R96.4Very high96.2Very high25 Ų2542.2 Ų42.29%0.09421%0.208CC..Hα-helixtrans-56.4-28.3176.8-169172.6177.7-1573.8113.6F7 R11 F38 S40 K44 V45 I47 H70 K71 D73F7-R42 HydrophobicContact CE1-CB 4.48Å; F7-R42 HydrophobicContact CE1-CG 3.87Å; F7-R42 HydrophobicContact CZ-CG 4.28Å; R11-R42 VanDerWaalsContact CD-O 3.24Å; R11-R42 WeakPolarHBondContact CD-O 3.4Å; R11-R42 PolarHBondContact NH1-O 3.41Å; F38-R42 WeakPolarHBondContact O-CB 3.19Å; F38-R42 PolarHBondContact O-N 3.17Å; S40-R42 VanDerWaalsContact C-N 3.34Å; R42-K44 PolarHBondContact O-N 3.06Å; R42-V45 CarbonylContact C-O 3.57Å; R42-V45 VanDerWaalsContact C-O 3.3Å; R42-V45 VanDerWaalsContact CA-O 3.26Å; R42-V45 WeakPolarHBondContact CA-O 3.28Å; R42-I47 HydrophobicContact CB-CD1 3.78Å; R42-I47 HydrophobicContact CB-CG1 3.88Å; R42-I47 HydrophobicContact CB-CG2 4.38Å; R42-I47 HydrophobicContact CG-CD1 4.16Å; R42-I47 HydrophobicContact CG-CG1 3.82Å; R42-H70 PolarHBondContact NH1-O 2.77Å; R42-K71 VanDerWaalsContact CD-O 3.3Å; R42-K71 WeakPolarHBondContact CD-O 3.41Å; R42-K71 VanDerWaalsContact NH1-C 3.26Å; R42-K71 PolarHBondContact NH1-O 3.07Å; R42-D73 IonicContact CZ-OD1 3.53Å; R42-D73 IonicContact NE-OD1 3.89Å; R42-D73 PolarHBondContact NE-OD1 2.87Å; R42-D73 IonicContact NE-OD2 3.25Å; R42-D73 PolarHBondContact NE-OD2 3.02Å; R42-D73 IonicContact NH2-OD1 3.41Å; R42-D73 PolarHBondContact NH2-OD1 2.88Å
43R94.3Very high95.8Very high143 Ų14339 Ų3954%0.5419%0.187SC..THydrogen-bonded Turntrans-67.5-22.9174.6-66.3-171.3-69.8-104.41.6113.2F7 S40 L41F7-R43 HydrophobicContact CE1-CG 4.2Å; S40-R43 VanDerWaalsContact CB-NH2 3.34Å; S40-R43 PolarHBondContact O-N 3.35Å; S40-R43 PolarHBondContact OG-NH2 2.85Å; L41-R43 PolarHBondContact O-N 2.77Å; L41-R43 VanDerWaalsContact O-N 3.12Å
44K93.5Very high95.4Very high100 Ų10035 Ų3544%0.43517%0.174SC..THydrogen-bonded Turntrans-98.4-40.4-179.5-63.4-164.7173.2-1610113.5L41 R42 F253 F254L41-K44 WeakPolarHBondContact O-CA 3.4Å; L41-K44 WeakPolarHBondContact O-CB 3.45Å; L41-K44 PolarHBondContact O-N 3.26Å; R42-K44 PolarHBondContact O-N 3.06Å; K44-F253 WeakPolarHBondContact CD-O 3.41Å; K44-F253 WeakPolarHBondContact CE-O 3.07Å; K44-F253 PolarHBondContact NZ-O 2.97Å; K44-F254 HydrophobicContact CD-CD1 4.15Å; K44-F254 HydrophobicContact CD-CE1 3.92Å; K44-F254 HydrophobicContact CD-CE2 4.48Å; K44-F254 HydrophobicContact CD-CZ 4.11Å; K44-F254 VanDerWaalsContact CE-CD1 3.49Å; K44-F254 VanDerWaalsContact CE-CE1 3.49Å
45V96.3Very high95.2Very high6 Ų635.1 Ų35.14%0.03617%0.173CC..SBendtrans-134.2164.3-177-630000110R11 I13 C15 L41 R42 I47 F253R11-V45 PolarHBondContact NH1-O 3.37Å; I13-V45 HydrophobicContact CB-CB 4.37Å; I13-V45 HydrophobicContact CB-CG1 3.95Å; I13-V45 HydrophobicContact CG2-CB 4.42Å; I13-V45 HydrophobicContact CG2-CG1 4.04Å; C15-V45 HydrophobicContact CB-CG2 4.48Å; L41-V45 HydrophobicContact CD1-CG2 3.67Å; L41-V45 HydrophobicContact CG-CG2 3.77Å; L41-V45 PolarHBondContact O-N 3.37Å; R42-V45 CarbonylContact C-O 3.57Å; R42-V45 VanDerWaalsContact C-O 3.3Å; R42-V45 VanDerWaalsContact CA-O 3.26Å; R42-V45 WeakPolarHBondContact CA-O 3.28Å; V45-I47 HydrophobicContact CG2-CG2 4.27Å; V45-F253 HydrophobicContact CG1-CD1 3.79Å; V45-F253 HydrophobicContact CG1-CE1 3.87Å; V45-F253 HydrophobicContact CG1-CG 4.46Å
46K97.7Very high95Very high41 Ų4138 Ų3818%0.17819%0.193CC..EExtended strand (participates in β ladder)trans-69.2145165.5-64.9-173.7-175.5179.80109R11 I13 L14 C15 D73 Y74 L209R11-K46 HydrophobicContact CB-CG 3.97Å; R11-K46 VanDerWaalsContact O-CE 3.26Å; R11-K46 WeakPolarHBondContact O-CE 3.42Å; R11-K46 WeakPolarHBondContact O-CG 3.26Å; I13-K46 PolarHBondContact O-N 3.29Å; L14-K46 WeakPolarHBondContact CA-O 3.4Å; L14-K46 HydrophobicContact CB-CB 4.43Å; L14-K46 HydrophobicContact CD1-CB 3.89Å; C15-K46 PolarHBondContact N-O 3.07Å; K46-D73 WeakPolarHBondContact CA-OD2 3.34Å; K46-D73 HydrophobicContact CB-CB 4.31Å; K46-Y74 HydrophobicContact CD-CE2 3.89Å; K46-Y74 PolarHBondContact NZ-OH 2.8Å; K46-Y74 VanDerWaalsContact NZ-OH 3.15Å; K46-L209 HydrophobicContact CD-CD2 4.05Å
47I98.3Very high94.6Very high0 Ų034.5 Ų34.50%018%0.176CC..EExtended strand (participates in β ladder)trans-122.7142.7171.165.3170.6000110.3C15 F17 F38 L41 R42 V45 F72 D73 Y74C15-I47 HydrophobicContact CB-CG2 4.43Å; C15-I47 CarbonylContact O-C 3.55Å; C15-I47 VanDerWaalsContact O-CA 3.32Å; C15-I47 WeakPolarHBondContact O-CA 3.41Å; F17-I47 HydrophobicContact CE2-CB 4.12Å; F17-I47 HydrophobicContact CE2-CG2 4.08Å; F38-I47 HydrophobicContact CB-CD1 4.28Å; L41-I47 HydrophobicContact CD2-CG2 3.99Å; L41-I47 HydrophobicContact CG-CG2 4.01Å; R42-I47 HydrophobicContact CB-CD1 3.78Å; R42-I47 HydrophobicContact CB-CG1 3.88Å; R42-I47 HydrophobicContact CB-CG2 4.38Å; R42-I47 HydrophobicContact CG-CD1 4.16Å; R42-I47 HydrophobicContact CG-CG1 3.82Å; V45-I47 HydrophobicContact CG2-CG2 4.27Å; I47-F72 HydrophobicContact CB-CD1 4.24Å; I47-F72 HydrophobicContact CD1-CD1 3.52Å; I47-F72 HydrophobicContact CD1-CE1 3.7Å; I47-F72 HydrophobicContact CD1-CG 4.35Å; I47-F72 HydrophobicContact CG1-CD1 3.68Å; I47-F72 HydrophobicContact CG1-CE1 4.3Å; I47-F72 HydrophobicContact CG1-CG 4.44Å; I47-D73 PolarHBondContact N-OD2 2.95Å; I47-D73 WeakPolarHBondContact O-CB 3.49Å; I47-D73 PolarHBondContact O-N 2.91Å; I47-Y74 PolarHBondContact O-N 2.92Å
48G98.4Very high94.3Very high0 Ų033.5 Ų33.50%017%0.172CC..EExtended strand (participates in β ladder)trans-144.4162.6174.900000111.8C15 L16 F17 Y74C15-G48 PolarHBondContact O-N 3.15Å; L16-G48 WeakPolarHBondContact CA-O 3.41Å; F17-G48 WeakPolarHBondContact CD2-O 3.45Å; F17-G48 PolarHBondContact N-O 3.46Å; G48-Y74 CarbonylContact C-O 3.59Å; G48-Y74 WeakPolarHBondContact CA-O 3.26Å
49I98.5Very high94.1Very high0 Ų033.8 Ų33.80%017%0.174CC..EExtended strand (participates in β ladder)trans-123.2147.7176.658.6178.5000111.2F17 V19 L23 I58 L62 V68 F72 Y74 V75 F76F17-I49 CarbonylContact O-C 3.48Å; F17-I49 VanDerWaalsContact O-CA 3.27Å; F17-I49 WeakPolarHBondContact O-CA 3.14Å; V19-I49 HydrophobicContact CG2-CB 4.28Å; L23-I49 HydrophobicContact CD1-CG2 3.53Å; I49-I58 HydrophobicContact CD1-CG2 3.43Å; I49-I58 VanDerWaalsContact CD1-CG2 3.43Å; I49-L62 HydrophobicContact CD1-CD1 3.3Å; I49-L62 HydrophobicContact CG2-CD1 4.11Å; I49-V68 HydrophobicContact CD1-CG2 3.84Å; I49-F72 HydrophobicContact CD1-CD2 4.31Å; I49-F72 HydrophobicContact CD1-CE2 4.5Å; I49-F72 HydrophobicContact CG2-CD1 3.63Å; I49-F72 HydrophobicContact CG2-CD2 4.4Å; I49-F72 HydrophobicContact CG2-CE1 3.46Å; I49-F72 VanDerWaalsContact CG2-CE1 3.46Å; I49-F72 HydrophobicContact CG2-CE2 4.28Å; I49-F72 HydrophobicContact CG2-CG 4.12Å; I49-F72 HydrophobicContact CG2-CZ 3.81Å; I49-Y74 PolarHBondContact N-O 3.36Å; I49-V75 HydrophobicContact CD1-CB 4.37Å; I49-V75 HydrophobicContact CD1-CG1 3.84Å; I49-V75 HydrophobicContact CD1-CG2 4.04Å; I49-V75 HydrophobicContact CG1-CB 4.13Å; I49-V75 HydrophobicContact CG1-CG1 3.95Å; I49-V75 HydrophobicContact CG1-CG2 4Å; I49-F76 WeakPolarHBondContact O-CB 3.24Å; I49-F76 WeakPolarHBondContact O-CD2 3.41Å; I49-F76 PolarHBondContact O-N 2.88Å
50V97.9Very high93.9Very high0 Ų037.7 Ų37.70%019%0.192CC..EExtended strand (participates in β ladder)trans-136.1124.1171.860.80000110.7L16 F17 D18 F76 K197 C200 F214 I228L16-V50 HydrophobicContact CD1-CB 4.2Å; L16-V50 HydrophobicContact CD1-CG1 4.09Å; L16-V50 HydrophobicContact CD2-CG1 4.08Å; L16-V50 HydrophobicContact CG-CG1 3.92Å; F17-V50 PolarHBondContact O-N 3.34Å; D18-V50 WeakPolarHBondContact CA-O 3.49Å; V50-F76 WeakPolarHBondContact CA-O 3.49Å; V50-F76 HydrophobicContact CB-CB 3.97Å; V50-F76 HydrophobicContact CB-CD2 4.38Å; V50-F76 HydrophobicContact CG2-CB 3.9Å; V50-K197 HydrophobicContact CG1-CD 4.22Å; V50-K197 HydrophobicContact CG2-CB 4.12Å; V50-K197 HydrophobicContact CG2-CD 4.41Å; V50-K197 HydrophobicContact CG2-CG 3.93Å; V50-C200 HydrophobicContact CG2-CB 4.42Å; V50-F214 HydrophobicContact CG1-CE2 3.9Å; V50-I228 HydrophobicContact CG1-CD1 4.23Å
51G93.3Very high93.7Very high3 Ų336.4 Ų36.43%0.03118%0.183CC..  trans-142.8151-179.400000112.5S53 F76 A77 E78 N79G51-S53 VanDerWaalsContact C-N 3.25Å; G51-S53 PolarHBondContact O-N 2.91Å; G51-F76 PolarHBondContact N-O 3.2Å; G51-A77 CarbonylContact O-C 3.55Å; G51-E78 PolarHBondContact O-N 3.3Å; G51-N79 PolarHBondContact O-N 3.46Å
52G88.7Confident93.6Very high32 Ų3236.4 Ų36.433%0.3318%0.183SC..SBendtrans-76.7-11174.800000114.2N79G52-N79 WeakPolarHBondContact CA-OD1 3.26Å; G52-N79 PolarHBondContact N-OD1 3.37Å
53S86.7Confident93.1Very high24 Ų2435.9 Ų35.917%0.16818%0.184CC..SBendtrans-71.5157.4175-63.10000111.3G51 K57 E78G51-S53 VanDerWaalsContact C-N 3.25Å; G51-S53 PolarHBondContact O-N 2.91Å; S53-K57 PolarHBondContact OG-NZ 3.16Å; S53-E78 PolarHBondContact O-N 3.35Å
54D89.1Confident92.7Very high80 Ų8036.9 Ų36.943%0.42820%0.195SC..  trans-66.9163.4168.96229000111.7K57 I58 E78D54-K57 PolarHBondContact O-N 3.42Å; D54-K57 WeakPolarHBondContact OD1-CB 3.47Å; D54-K57 PolarHBondContact OD1-N 2.95Å; D54-I58 WeakPolarHBondContact O-CG1 3.24Å; D54-I58 PolarHBondContact O-N 3.32Å; D54-I58 VanDerWaalsContact O-N 3.15Å; D54-E78 HydrophobicContact CB-CG 4.47Å
55Y91.9Very high92.3Very high23 Ų2335 Ų359%0.0920%0.204CC..Hα-helixtrans-58.4-47.4-178.1169.1-95.3000113.1K57 I58 A59 D66 V68 I69 V75 Y84Y55-K57 VanDerWaalsContact C-N 3.27Å; Y55-K57 PolarHBondContact O-N 2.65Å; Y55-I58 PolarHBondContact O-N 2.89Å; Y55-I58 VanDerWaalsContact O-N 3.12Å; Y55-A59 HydrophobicContact CE1-CB 4.28Å; Y55-A59 HydrophobicContact CE2-CB 4.48Å; Y55-A59 WeakPolarHBondContact O-CB 3.43Å; Y55-A59 PolarHBondContact O-N 3.24Å; Y55-D66 VanDerWaalsContact CE1-OD1 3.22Å; Y55-D66 WeakPolarHBondContact CE1-OD1 3.39Å; Y55-D66 WeakPolarHBondContact OH-CA 3.47Å; Y55-D66 PolarHBondContact OH-OD1 3.48Å; Y55-V68 HydrophobicContact CD2-CG1 4.49Å; Y55-V68 HydrophobicContact CE2-CG1 3.55Å; Y55-I69 HydrophobicContact CE2-CG2 3.42Å; Y55-I69 VanDerWaalsContact CE2-CG2 3.42Å; Y55-V75 HydrophobicContact CD2-CG1 4.38Å; Y55-Y84 HydrophobicContact CD2-CD2 4.2Å; Y55-Y84 AromaticContact CD2-CE2 3.61Å; Y55-Y84 HydrophobicContact CD2-CE2 3.61Å; Y55-Y84 HydrophobicContact CE2-CD2 4.42Å; Y55-Y84 HydrophobicContact CE2-CE2 4.01Å; Y55-Y84 HydrophobicContact CG-CE2 4.04Å
56P91.7Very high91.8Very high87 Ų8739.6 Ų39.657%0.56523%0.229SC*.Hα-helixtrans-56.2-40.3179.5-27.536.3000113.3A59 E60P56-A59 PolarHBondContact O-N 3.47Å; P56-E60 PolarHBondContact O-N 2.69Å
57K88.6Confident91.5Very high60 Ų6041.4 Ų41.426%0.26124%0.24SC..Hα-helixtrans-67.5-42.3177.2-177.8173.4170.8-130.60112.2D20 S53 D54 Y55 A59 E60 Q61D20-K57 IonicContact OD2-NZ 2.97Å; S53-K57 PolarHBondContact OG-NZ 3.16Å; D54-K57 PolarHBondContact O-N 3.42Å; D54-K57 WeakPolarHBondContact OD1-CB 3.47Å; D54-K57 PolarHBondContact OD1-N 2.95Å; Y55-K57 VanDerWaalsContact C-N 3.27Å; Y55-K57 PolarHBondContact O-N 2.65Å; K57-A59 VanDerWaalsContact C-N 3.29Å; K57-A59 PolarHBondContact O-N 3.33Å; K57-E60 PolarHBondContact O-N 2.82Å; K57-Q61 WeakPolarHBondContact O-CG 3.35Å; K57-Q61 PolarHBondContact O-N 2.82Å
58I92.3Very high91.2Very high1 Ų141.4 Ų41.41%0.00524%0.24CC..Hα-helixtrans-61.4-42.4174.8-69.2174.4000110.6I49 D54 Y55 Q61 L62 V68 A77I49-I58 HydrophobicContact CD1-CG2 3.43Å; I49-I58 VanDerWaalsContact CD1-CG2 3.43Å; D54-I58 WeakPolarHBondContact O-CG1 3.24Å; D54-I58 PolarHBondContact O-N 3.32Å; D54-I58 VanDerWaalsContact O-N 3.15Å; Y55-I58 PolarHBondContact O-N 2.89Å; Y55-I58 VanDerWaalsContact O-N 3.12Å; I58-Q61 PolarHBondContact O-N 2.92Å; I58-L62 HydrophobicContact CG2-CD1 4Å; I58-L62 PolarHBondContact O-N 3.39Å; I58-V68 HydrophobicContact CG2-CG2 4.34Å; I58-A77 HydrophobicContact CD1-CB 3.79Å
59A93.4Very high91Very high5 Ų542.1 Ų42.14%0.04124%0.244CC..Hα-helixtrans-63.8-40.9179.100000112Y55 P56 K57 Q61 L62 G63 G65 V68Y55-A59 HydrophobicContact CE1-CB 4.28Å; Y55-A59 HydrophobicContact CE2-CB 4.48Å; Y55-A59 WeakPolarHBondContact O-CB 3.43Å; Y55-A59 PolarHBondContact O-N 3.24Å; P56-A59 PolarHBondContact O-N 3.47Å; K57-A59 VanDerWaalsContact C-N 3.29Å; K57-A59 PolarHBondContact O-N 3.33Å; A59-Q61 VanDerWaalsContact C-N 3.28Å; A59-Q61 PolarHBondContact O-N 3.35Å; A59-L62 PolarHBondContact O-N 2.94Å; A59-G63 CarbonylContact O-C 3.22Å; A59-G63 PolarHBondContact O-N 3.04Å; A59-G63 VanDerWaalsContact O-O 3.14Å; A59-G65 WeakPolarHBondContact CB-O 3.21Å; A59-V68 HydrophobicContact CB-CG1 3.78Å
60E92.9Very high90.9Very high128 Ų12847.4 Ų47.460%0.59827%0.268SS*.Hα-helixtrans-59.3-38.6173.8-177.6-179.2-176.400112.5K29 P56 K57K29-E60 WeakPolarHBondContact CE-O 3.13Å; K29-E60 WeakPolarHBondContact CG-O 3.37Å; P56-E60 PolarHBondContact O-N 2.69Å; K57-E60 PolarHBondContact O-N 2.82Å
61Q91.7Very high90.8Very high7 Ų748.4 Ų48.43%0.03327%0.273CS..Hα-helixtrans-76.5-36.3-178.3-68.2-174.8-102.300113D20 T24 E28 K29 I30 K57 I58 A59D20-Q61 PolarHBondContact OD1-NE2 3.17Å; T24-Q61 PolarHBondContact OG1-NE2 3.48Å; E28-Q61 WeakPolarHBondContact O-CG 3.49Å; E28-Q61 PolarHBondContact O-NE2 3.34Å; K29-Q61 CarbonylContact C-O 3.51Å; K29-Q61 WeakPolarHBondContact CA-O 3.22Å; I30-Q61 PolarHBondContact N-O 2.93Å; K57-Q61 WeakPolarHBondContact O-CG 3.35Å; K57-Q61 PolarHBondContact O-N 2.82Å; I58-Q61 PolarHBondContact O-N 2.92Å; A59-Q61 VanDerWaalsContact C-N 3.28Å; A59-Q61 PolarHBondContact O-N 3.35Å
62L94Very high91Very high0 Ų048.2 Ų48.20%027%0.271CS..Hα-helixtrans-113.20.9-167-62178.7000114.5V19 L23 T24 I30 I49 I58 A59 V68 K71 F72V19-L62 HydrophobicContact CG1-CD1 4.08Å; V19-L62 HydrophobicContact CG1-CD2 4.39Å; V19-L62 HydrophobicContact CG1-CG 4.27Å; V19-L62 HydrophobicContact CG2-CD1 4.21Å; L23-L62 HydrophobicContact CB-CD2 4.32Å; L23-L62 HydrophobicContact CD1-CD1 4.37Å; L23-L62 HydrophobicContact CD1-CD2 4.34Å; T24-L62 HydrophobicContact CG2-CD2 3.66Å; I30-L62 HydrophobicContact CB-CD2 4.07Å; I30-L62 HydrophobicContact CD1-CD2 4.01Å; I30-L62 HydrophobicContact CG2-CD2 4.49Å; I49-L62 HydrophobicContact CD1-CD1 3.3Å; I49-L62 HydrophobicContact CG2-CD1 4.11Å; I58-L62 HydrophobicContact CG2-CD1 4Å; I58-L62 PolarHBondContact O-N 3.39Å; A59-L62 PolarHBondContact O-N 2.94Å; L62-V68 HydrophobicContact CB-CG2 3.73Å; L62-V68 HydrophobicContact CD1-CG2 4.25Å; L62-K71 PolarHBondContact O-NZ 3.13Å; L62-F72 HydrophobicContact CB-CE2 4.34Å; L62-F72 HydrophobicContact CD1-CE2 4.16Å; L62-F72 HydrophobicContact CD1-CZ 4.37Å
63G86.9Confident91.4Very high13 Ų1346.9 Ų46.913%0.13426%0.256CS..SBendtrans-166.3-168179.200000114.2A59A59-G63 CarbonylContact O-C 3.22Å; A59-G63 PolarHBondContact O-N 3.04Å; A59-G63 VanDerWaalsContact O-O 3.14Å
64E85.1Confident91.9Very high164 Ų16445.8 Ų45.877%0.76625%0.249SC*.SBendtrans-115.3122170.2-62.9-169.1165.800108.7D66 D67E64-D66 PolarHBondContact O-N 3.41Å; E64-D67 WeakPolarHBondContact O-CB 3.28Å; E64-D67 PolarHBondContact O-N 2.65Å
65G85.2Confident92.3Very high61 Ų6142 Ų4263%0.62923%0.229SC*.THydrogen-bonded Turntrans59.9-128.2-173.900000111.4A59A59-G65 WeakPolarHBondContact CB-O 3.21Å
66D85.8Confident92.6Very high103 Ų10340.9 Ų40.955%0.55122%0.224SC*.THydrogen-bonded Turntrans-89.88-177.6-72.7-45.2000114.4Y55 E64 V68 I69Y55-D66 VanDerWaalsContact CE1-OD1 3.22Å; Y55-D66 WeakPolarHBondContact CE1-OD1 3.39Å; Y55-D66 WeakPolarHBondContact OH-CA 3.47Å; Y55-D66 PolarHBondContact OH-OD1 3.48Å; E64-D66 PolarHBondContact O-N 3.41Å; D66-V68 PolarHBondContact O-N 3.43Å; D66-I69 WeakPolarHBondContact O-CG1 3.49Å; D66-I69 PolarHBondContact O-N 3.4Å
67D90.7Very high92.7Very high78 Ų7836.8 Ų36.842%0.41720%0.197SC..THydrogen-bonded Turntrans-62.7-21.6-171.7-165.339.7000113.9E64 I69 H70 K71E64-D67 WeakPolarHBondContact O-CB 3.28Å; E64-D67 PolarHBondContact O-N 2.65Å; D67-I69 VanDerWaalsContact C-N 3.25Å; D67-I69 PolarHBondContact O-N 3.31Å; D67-H70 WeakPolarHBondContact O-CA 3.24Å; D67-H70 PolarHBondContact O-N 3.15Å; D67-K71 WeakPolarHBondContact O-CG 3.39Å; D67-K71 PolarHBondContact O-N 3.25Å; D67-K71 WeakPolarHBondContact OD2-CD 3.32Å
68V92.9Very high92.8Very high0 Ų034.7 Ų34.70%019%0.188CC..Hα-helixtrans-54.5-38.2179.569.10000113I49 Y55 I58 A59 L62 D66 H70 K71 F72 V75I49-V68 HydrophobicContact CD1-CG2 3.84Å; Y55-V68 HydrophobicContact CD2-CG1 4.49Å; Y55-V68 HydrophobicContact CE2-CG1 3.55Å; I58-V68 HydrophobicContact CG2-CG2 4.34Å; A59-V68 HydrophobicContact CB-CG1 3.78Å; L62-V68 HydrophobicContact CB-CG2 3.73Å; L62-V68 HydrophobicContact CD1-CG2 4.25Å; D66-V68 PolarHBondContact O-N 3.43Å; V68-H70 PolarHBondContact O-N 3.16Å; V68-K71 PolarHBondContact O-N 2.58Å; V68-F72 HydrophobicContact CG2-CD2 3.99Å; V68-F72 HydrophobicContact CG2-CE2 4.21Å; V68-F72 PolarHBondContact O-N 2.89Å; V68-V75 HydrophobicContact CG2-CG2 4.32Å
69I94.4Very high92.8Very high16 Ų1635.6 Ų35.68%0.08219%0.194CC..Hα-helixtrans-72.4-15-179.670.9-171.1000112.8Y55 D66 D67 V75 Y84 G87Y55-I69 HydrophobicContact CE2-CG2 3.42Å; Y55-I69 VanDerWaalsContact CE2-CG2 3.42Å; D66-I69 WeakPolarHBondContact O-CG1 3.49Å; D66-I69 PolarHBondContact O-N 3.4Å; D67-I69 VanDerWaalsContact C-N 3.25Å; D67-I69 PolarHBondContact O-N 3.31Å; I69-V75 HydrophobicContact CG2-CG2 4.42Å; I69-Y84 HydrophobicContact CB-CD1 4.39Å; I69-Y84 HydrophobicContact CD1-CD1 4.32Å; I69-Y84 HydrophobicContact CG2-CD1 3.73Å; I69-Y84 HydrophobicContact CG2-CD2 4.29Å; I69-Y84 HydrophobicContact CG2-CE1 4.2Å; I69-Y84 HydrophobicContact CG2-CG 3.79Å; I69-G87 WeakPolarHBondContact CD1-O 3.45Å; I69-G87 VanDerWaalsContact O-CA 3.28Å; I69-G87 WeakPolarHBondContact O-CA 3.29Å; I69-G87 PolarHBondContact O-N 3.17Å; I69-G87 VanDerWaalsContact O-N 3.14Å
70H95Very high92.8Very high110 Ų11035.4 Ų35.451%0.50919%0.192SC..Hα-helixtrans-97.7-19.6175.7-62-52.3000112.3R42 D67 V68R42-H70 PolarHBondContact NH1-O 2.77Å; D67-H70 WeakPolarHBondContact O-CA 3.24Å; D67-H70 PolarHBondContact O-N 3.15Å; V68-H70 PolarHBondContact O-N 3.16Å
71K95.7Very high92.8Very high21 Ų2129.3 Ų29.39%0.09116%0.163CC..Hα-helixtrans-83.9-25.6177.5-71176.470.1175.30114.2D35 Q39 R42 L62 D67 V68D35-K71 VanDerWaalsContact CG-CE 3.47Å; D35-K71 WeakPolarHBondContact OD1-CE 3.39Å; D35-K71 IonicContact OD1-NZ 3.74Å; D35-K71 PolarHBondContact OD1-NZ 3.4Å; D35-K71 WeakPolarHBondContact OD2-CE 3.32Å; D35-K71 IonicContact OD2-NZ 2.69Å; D35-K71 PolarHBondContact OD2-NZ 3.2Å; Q39-K71 PolarHBondContact NE2-O 2.87Å; Q39-K71 PolarHBondContact OE1-O 2.91Å; R42-K71 VanDerWaalsContact CD-O 3.3Å; R42-K71 WeakPolarHBondContact CD-O 3.41Å; R42-K71 VanDerWaalsContact NH1-C 3.26Å; R42-K71 PolarHBondContact NH1-O 3.07Å; L62-K71 PolarHBondContact O-NZ 3.13Å; D67-K71 WeakPolarHBondContact O-CG 3.39Å; D67-K71 PolarHBondContact O-N 3.25Å; D67-K71 WeakPolarHBondContact OD2-CD 3.32Å; V68-K71 PolarHBondContact O-N 2.58Å
72F97.4Very high92.9Very high0 Ų029.4 Ų29.40%016%0.164CC..SBendtrans-117.9149.2177.1-63.7-91.8000110.7L23 I47 I49 L62 V68 Y74 V75L23-F72 HydrophobicContact CD1-CE1 4.33Å; L23-F72 HydrophobicContact CD1-CZ 4.24Å; I47-F72 HydrophobicContact CB-CD1 4.24Å; I47-F72 HydrophobicContact CD1-CD1 3.52Å; I47-F72 HydrophobicContact CD1-CE1 3.7Å; I47-F72 HydrophobicContact CD1-CG 4.35Å; I47-F72 HydrophobicContact CG1-CD1 3.68Å; I47-F72 HydrophobicContact CG1-CE1 4.3Å; I47-F72 HydrophobicContact CG1-CG 4.44Å; I49-F72 HydrophobicContact CD1-CD2 4.31Å; I49-F72 HydrophobicContact CD1-CE2 4.5Å; I49-F72 HydrophobicContact CG2-CD1 3.63Å; I49-F72 HydrophobicContact CG2-CD2 4.4Å; I49-F72 HydrophobicContact CG2-CE1 3.46Å; I49-F72 VanDerWaalsContact CG2-CE1 3.46Å; I49-F72 HydrophobicContact CG2-CE2 4.28Å; I49-F72 HydrophobicContact CG2-CG 4.12Å; I49-F72 HydrophobicContact CG2-CZ 3.81Å; L62-F72 HydrophobicContact CB-CE2 4.34Å; L62-F72 HydrophobicContact CD1-CE2 4.16Å; L62-F72 HydrophobicContact CD1-CZ 4.37Å; V68-F72 HydrophobicContact CG2-CD2 3.99Å; V68-F72 HydrophobicContact CG2-CE2 4.21Å; V68-F72 PolarHBondContact O-N 2.89Å; F72-Y74 VanDerWaalsContact C-N 3.34Å; F72-V75 HydrophobicContact CB-CG2 3.96Å
73D97.3Very high93Very high3 Ų329.8 Ų29.82%0.01617%0.166CC..SBendtrans-73.4-31.6175.9-55-68.5000110.8R11 R42 K46 I47 K85 D86R11-D73 IonicContact CZ-OD1 2.65Å; R11-D73 IonicContact CZ-OD2 3.83Å; R11-D73 IonicContact NH1-OD1 3.81Å; R11-D73 PolarHBondContact NH1-OD1 3.48Å; R11-D73 IonicContact NH1-OD2 3.42Å; R11-D73 PolarHBondContact NH1-OD2 3.12Å; R11-D73 IonicContact NH2-OD1 3.83Å; R11-D73 PolarHBondContact NH2-OD1 3.03Å; R11-D73 IonicContact NH2-OD2 2.89Å; R42-D73 IonicContact CZ-OD1 3.53Å; R42-D73 IonicContact NE-OD1 3.89Å; R42-D73 PolarHBondContact NE-OD1 2.87Å; R42-D73 IonicContact NE-OD2 3.25Å; R42-D73 PolarHBondContact NE-OD2 3.02Å; R42-D73 IonicContact NH2-OD1 3.41Å; R42-D73 PolarHBondContact NH2-OD1 2.88Å; K46-D73 WeakPolarHBondContact CA-OD2 3.34Å; K46-D73 HydrophobicContact CB-CB 4.31Å; I47-D73 PolarHBondContact N-OD2 2.95Å; I47-D73 WeakPolarHBondContact O-CB 3.49Å; I47-D73 PolarHBondContact O-N 2.91Å; D73-K85 WeakPolarHBondContact O-CA 3.32Å; D73-D86 PolarHBondContact O-N 2.88Å
74Y97.9Very high93.4Very high1 Ų131.1 Ų31.10%0.00417%0.167CC..EExtended strand (participates in β ladder)trans-132137.8172.5-53.6-95.4000111.8L14 K46 I47 G48 I49 F72 F76 Y84 K85 L203 L204 E207L14-Y74 HydrophobicContact CD1-CD2 3.94Å; L14-Y74 HydrophobicContact CD1-CE2 4.27Å; L14-Y74 HydrophobicContact CD2-CD2 4.31Å; L14-Y74 HydrophobicContact CD2-CE2 4.46Å; K46-Y74 HydrophobicContact CD-CE2 3.89Å; K46-Y74 PolarHBondContact NZ-OH 2.8Å; K46-Y74 VanDerWaalsContact NZ-OH 3.15Å; I47-Y74 PolarHBondContact O-N 2.92Å; G48-Y74 CarbonylContact C-O 3.59Å; G48-Y74 WeakPolarHBondContact CA-O 3.26Å; I49-Y74 PolarHBondContact N-O 3.36Å; F72-Y74 VanDerWaalsContact C-N 3.34Å; Y74-F76 HydrophobicContact CD1-CE2 4.49Å; Y74-F76 AromaticContact CD1-CZ 3.96Å; Y74-F76 HydrophobicContact CD1-CZ 3.96Å; Y74-F76 HydrophobicContact CG-CE2 4.21Å; Y74-F76 HydrophobicContact CG-CZ 4.14Å; Y74-Y84 WeakPolarHBondContact CA-O 3.21Å; Y74-K85 HydrophobicContact CD1-CB 4.14Å; Y74-K85 HydrophobicContact CD1-CD 4.42Å; Y74-K85 HydrophobicContact CD1-CG 3.93Å; Y74-K85 HydrophobicContact CE1-CB 4.32Å; Y74-K85 HydrophobicContact CE1-CD 3.77Å; Y74-K85 HydrophobicContact CE1-CG 3.67Å; Y74-L203 HydrophobicContact CD1-CD2 4.01Å; Y74-L203 HydrophobicContact CE1-CD2 3.88Å; Y74-L204 HydrophobicContact CD1-CD2 3.97Å; Y74-L204 HydrophobicContact CD2-CD2 4.33Å; Y74-L204 HydrophobicContact CE1-CD2 3.87Å; Y74-L204 HydrophobicContact CE2-CD2 4.25Å; Y74-L204 HydrophobicContact CG-CD2 4.21Å; Y74-E207 HydrophobicContact CE1-CG 4.23Å; Y74-E207 PolarHBondContact OH-OE2 2.86Å
75V97.8Very high93.9Very high1 Ų125.4 Ų25.41%0.00614%0.14CC..EExtended strand (participates in β ladder)trans-127.9114.2172175.80000109.1I49 Y55 V68 I69 F72 Y84I49-V75 HydrophobicContact CD1-CB 4.37Å; I49-V75 HydrophobicContact CD1-CG1 3.84Å; I49-V75 HydrophobicContact CD1-CG2 4.04Å; I49-V75 HydrophobicContact CG1-CB 4.13Å; I49-V75 HydrophobicContact CG1-CG1 3.95Å; I49-V75 HydrophobicContact CG1-CG2 4Å; Y55-V75 HydrophobicContact CD2-CG1 4.38Å; V68-V75 HydrophobicContact CG2-CG2 4.32Å; I69-V75 HydrophobicContact CG2-CG2 4.42Å; F72-V75 HydrophobicContact CB-CG2 3.96Å; V75-Y84 PolarHBondContact N-O 2.74Å; V75-Y84 PolarHBondContact O-N 3Å
76F97.1Very high94.3Very high0 Ų027 Ų270%013%0.134CC..EExtended strand (participates in β ladder)trans-110.699.5179.9-58.4-68000110L16 I49 V50 G51 Y74 Q83 C200 L203 L204L16-F76 HydrophobicContact CD1-CD2 3.94Å; L16-F76 HydrophobicContact CD1-CE2 4.08Å; I49-F76 WeakPolarHBondContact O-CB 3.24Å; I49-F76 WeakPolarHBondContact O-CD2 3.41Å; I49-F76 PolarHBondContact O-N 2.88Å; V50-F76 WeakPolarHBondContact CA-O 3.49Å; V50-F76 HydrophobicContact CB-CB 3.97Å; V50-F76 HydrophobicContact CB-CD2 4.38Å; V50-F76 HydrophobicContact CG2-CB 3.9Å; G51-F76 PolarHBondContact N-O 3.2Å; Y74-F76 HydrophobicContact CD1-CE2 4.49Å; Y74-F76 AromaticContact CD1-CZ 3.96Å; Y74-F76 HydrophobicContact CD1-CZ 3.96Å; Y74-F76 HydrophobicContact CG-CE2 4.21Å; Y74-F76 HydrophobicContact CG-CZ 4.14Å; F76-Q83 HydrophobicContact CD1-CB 3.99Å; F76-Q83 HydrophobicContact CD1-CG 3.84Å; F76-Q83 HydrophobicContact CE1-CB 4.12Å; F76-Q83 HydrophobicContact CE1-CG 4.14Å; F76-C200 HydrophobicContact CB-CB 4.02Å; F76-C200 HydrophobicContact CD1-CB 3.6Å; F76-C200 HydrophobicContact CD2-CB 3.66Å; F76-C200 HydrophobicContact CE1-CB 3.86Å; F76-C200 HydrophobicContact CE2-CB 3.91Å; F76-C200 HydrophobicContact CG-CB 3.48Å; F76-C200 VanDerWaalsContact CG-CB 3.48Å; F76-C200 HydrophobicContact CZ-CB 4Å; F76-L203 HydrophobicContact CE1-CD2 4.26Å; F76-L203 HydrophobicContact CZ-CD2 4.13Å; F76-L204 HydrophobicContact CE2-CD1 4.11Å; F76-L204 HydrophobicContact CE2-CD2 4.29Å; F76-L204 HydrophobicContact CE2-CG 4.35Å; F76-L204 HydrophobicContact CZ-CD1 4.29Å; F76-L204 HydrophobicContact CZ-CD2 3.96Å; F76-L204 HydrophobicContact CZ-CG 4.05Å
77A93.8Very high94.7Very high0 Ų022.9 Ų22.90%012%0.115CC..EExtended strand (participates in β ladder)trans-91157.6173.100000110.8G51 I58 N79 G80 T81 V82G51-A77 CarbonylContact O-C 3.55Å; I58-A77 HydrophobicContact CD1-CB 3.79Å; A77-N79 VanDerWaalsContact C-N 3.31Å; A77-N79 PolarHBondContact O-N 2.88Å; A77-G80 WeakPolarHBondContact O-CA 3.42Å; A77-G80 PolarHBondContact O-N 3.04Å; A77-T81 PolarHBondContact O-N 2.91Å; A77-V82 HydrophobicContact CB-CB 4.21Å; A77-V82 PolarHBondContact N-O 3.36Å; A77-V82 PolarHBondContact O-N 3.19Å; A77-V82 VanDerWaalsContact O-N 3.15Å
78E91.7Very high94.9Very high16 Ų1626.3 Ų26.38%0.07513%0.127CC..G310 helixtrans47.852.6-176.8-63.7177.3-110.700112G51 S53 D54 G80 T81 N132G51-E78 PolarHBondContact O-N 3.3Å; S53-E78 PolarHBondContact O-N 3.35Å; D54-E78 HydrophobicContact CB-CG 4.47Å; E78-G80 PolarHBondContact O-N 2.93Å; E78-T81 WeakPolarHBondContact CB-OG1 3.47Å; E78-T81 WeakPolarHBondContact O-CG2 3.44Å; E78-T81 PolarHBondContact O-N 2.87Å; E78-T81 PolarHBondContact O-OG1 3.12Å; E78-N132 PolarHBondContact OE1-ND2 3.12Å; E78-N132 WeakPolarHBondContact OE2-CB 3.14Å; E78-N132 PolarHBondContact OE2-N 3Å; E78-N132 VanDerWaalsContact OE2-N 3.17Å; E78-N132 PolarHBondContact OE2-ND2 2.77Å
79N92.4Very high95Very high21 Ų2130.7 Ų30.711%0.11215%0.15CC..G310 helixtrans60.716.8-176.4-62-19000115.2G51 G52 A77 W195G51-N79 PolarHBondContact O-N 3.46Å; G52-N79 WeakPolarHBondContact CA-OD1 3.26Å; G52-N79 PolarHBondContact N-OD1 3.37Å; A77-N79 VanDerWaalsContact C-N 3.31Å; A77-N79 PolarHBondContact O-N 2.88Å; N79-W195 PolarHBondContact ND2-O 3.48Å
80G93.6Very high94.9Very high0 Ų034 Ų340%017%0.167CC..G310 helixtrans9413.3-174.700000113.6A77 E78 Q83A77-G80 WeakPolarHBondContact O-CA 3.42Å; A77-G80 PolarHBondContact O-N 3.04Å; E78-G80 PolarHBondContact O-N 2.93Å; G80-Q83 VanDerWaalsContact O-CD 3.3Å; G80-Q83 WeakPolarHBondContact O-CG 3.48Å; G80-Q83 PolarHBondContact O-NE2 3.4Å
81T92.7Very high94.6Very high1 Ų130.2 Ų30.21%0.00615%0.153CC..THydrogen-bonded Turntrans-74-20.2166.157.20000111.9A77 E78 K92 H93 W195 L199A77-T81 PolarHBondContact O-N 2.91Å; E78-T81 WeakPolarHBondContact CB-OG1 3.47Å; E78-T81 WeakPolarHBondContact O-CG2 3.44Å; E78-T81 PolarHBondContact O-N 2.87Å; E78-T81 PolarHBondContact O-OG1 3.12Å; T81-K92 CarbonylContact O-C 3.45Å; T81-K92 VanDerWaalsContact O-CA 3.27Å; T81-K92 WeakPolarHBondContact O-CA 3.36Å; T81-H93 HydrophobicContact CG2-CB 4.26Å; T81-H93 PolarHBondContact O-N 2.84Å; T81-W195 HydrophobicContact CG2-CD2 4.17Å; T81-W195 HydrophobicContact CG2-CE3 3.51Å; T81-W195 HydrophobicContact CG2-CZ3 3.81Å; T81-L199 HydrophobicContact CG2-CD2 3.29Å
82V94Very high94.2Very high8 Ų835.1 Ų35.15%0.04817%0.174CC..EExtended strand (participates in β ladder)trans-117.8120.8166.1-173.50000108.3A77 Y84 L89 K92A77-V82 HydrophobicContact CB-CB 4.21Å; A77-V82 PolarHBondContact N-O 3.36Å; A77-V82 PolarHBondContact O-N 3.19Å; A77-V82 VanDerWaalsContact O-N 3.15Å; V82-Y84 HydrophobicContact CG1-CD2 4.35Å; V82-Y84 HydrophobicContact CG1-CE2 3.64Å; V82-L89 HydrophobicContact CG1-CD1 3.84Å; V82-K92 HydrophobicContact CG2-CG 4.26Å
83Q95.3Very high93.6Very high8 Ų838.4 Ų38.44%0.03719%0.189CC..EExtended strand (participates in β ladder)trans-124.9124.6-170-48.9-174.4-18.300110.9F76 G80 L90 S91F76-Q83 HydrophobicContact CD1-CB 3.99Å; F76-Q83 HydrophobicContact CD1-CG 3.84Å; F76-Q83 HydrophobicContact CE1-CB 4.12Å; F76-Q83 HydrophobicContact CE1-CG 4.14Å; G80-Q83 VanDerWaalsContact O-CD 3.3Å; G80-Q83 WeakPolarHBondContact O-CG 3.48Å; G80-Q83 PolarHBondContact O-NE2 3.4Å; Q83-L90 PolarHBondContact O-N 3.25Å; Q83-S91 VanDerWaalsContact CG-OG 3.29Å; Q83-S91 WeakPolarHBondContact CG-OG 3.42Å; Q83-S91 PolarHBondContact N-O 3.31Å; Q83-S91 PolarHBondContact OE1-OG 2.88Å
84Y96.3Very high93.2Very high41 Ų4139.1 Ų39.116%0.16120%0.196CC..EExtended strand (participates in β ladder)trans-114143.9169.1-60.4-105.2000110.2Y55 I69 Y74 V75 V82 K88 L89Y55-Y84 HydrophobicContact CD2-CD2 4.2Å; Y55-Y84 AromaticContact CD2-CE2 3.61Å; Y55-Y84 HydrophobicContact CD2-CE2 3.61Å; Y55-Y84 HydrophobicContact CE2-CD2 4.42Å; Y55-Y84 HydrophobicContact CE2-CE2 4.01Å; Y55-Y84 HydrophobicContact CG-CE2 4.04Å; I69-Y84 HydrophobicContact CB-CD1 4.39Å; I69-Y84 HydrophobicContact CD1-CD1 4.32Å; I69-Y84 HydrophobicContact CG2-CD1 3.73Å; I69-Y84 HydrophobicContact CG2-CD2 4.29Å; I69-Y84 HydrophobicContact CG2-CE1 4.2Å; I69-Y84 HydrophobicContact CG2-CG 3.79Å; Y74-Y84 WeakPolarHBondContact CA-O 3.21Å; V75-Y84 PolarHBondContact N-O 2.74Å; V75-Y84 PolarHBondContact O-N 3Å; V82-Y84 HydrophobicContact CG1-CD2 4.35Å; V82-Y84 HydrophobicContact CG1-CE2 3.64Å; Y84-K88 CarbonylContact C-O 3.56Å; Y84-K88 WeakPolarHBondContact CA-O 3.34Å; Y84-L89 HydrophobicContact CD1-CB 4Å; Y84-L89 HydrophobicContact CD1-CD1 4.34Å; Y84-L89 HydrophobicContact CD2-CD1 4.32Å; Y84-L89 HydrophobicContact CE1-CB 3.81Å; Y84-L89 HydrophobicContact CE1-CD1 3.99Å; Y84-L89 HydrophobicContact CE1-CG 4.47Å; Y84-L89 HydrophobicContact CE2-CD1 3.94Å; Y84-L89 HydrophobicContact CG-CD1 4.49Å
85K95.6Very high92.9Very high45 Ų4539.1 Ų39.120%0.19620%0.196CC..EExtended strand (participates in β ladder)trans-138.4132.4173.6179.8-172.3178-179.40109.3D73 Y74 G87 K88 L90 E207D73-K85 WeakPolarHBondContact O-CA 3.32Å; Y74-K85 HydrophobicContact CD1-CB 4.14Å; Y74-K85 HydrophobicContact CD1-CD 4.42Å; Y74-K85 HydrophobicContact CD1-CG 3.93Å; Y74-K85 HydrophobicContact CE1-CB 4.32Å; Y74-K85 HydrophobicContact CE1-CD 3.77Å; Y74-K85 HydrophobicContact CE1-CG 3.67Å; K85-G87 PolarHBondContact O-N 3.29Å; K85-G87 VanDerWaalsContact O-N 3.15Å; K85-K88 PolarHBondContact N-O 3.43Å; K85-K88 PolarHBondContact O-N 3.03Å; K85-L90 HydrophobicContact CB-CD1 3.36Å; K85-L90 HydrophobicContact CB-CD2 4.25Å; K85-L90 HydrophobicContact CB-CG 3.75Å; K85-L90 HydrophobicContact CD-CD1 3.81Å; K85-L90 HydrophobicContact CG-CD1 4.23Å; K85-E207 WeakPolarHBondContact CE-OE2 3.36Å; K85-E207 IonicContact NZ-OE1 2.81Å; K85-E207 PolarHBondContact NZ-OE1 3.39Å; K85-E207 IonicContact NZ-OE2 3.73Å; K85-E207 PolarHBondContact NZ-OE2 3.43Å
86D93.8Very high92.6Very high95 Ų9541.7 Ų41.751%0.50821%0.208SC..THydrogen-bonded Turntrans49.242.9177.8-58.8-46.5000112.5D73 K88D73-D86 PolarHBondContact O-N 2.88Å; D86-K88 VanDerWaalsContact C-N 3.29Å; D86-K88 PolarHBondContact O-N 2.83Å
87G93.9Very high92.3Very high15 Ų1548.2 Ų48.216%0.15524%0.243CC..THydrogen-bonded Turntrans74.66.5-178.300000116.3I69 K85I69-G87 WeakPolarHBondContact CD1-O 3.45Å; I69-G87 VanDerWaalsContact O-CA 3.28Å; I69-G87 WeakPolarHBondContact O-CA 3.29Å; I69-G87 PolarHBondContact O-N 3.17Å; I69-G87 VanDerWaalsContact O-N 3.14Å; K85-G87 PolarHBondContact O-N 3.29Å; K85-G87 VanDerWaalsContact O-N 3.15Å
88K95.1Very high92.2Very high150 Ų15053.3 Ų53.365%0.65227%0.267SS*.EExtended strand (participates in β ladder)trans-116.7135-178.3-62.7-179.9-176.41760111.4Y84 K85 D86 L90Y84-K88 CarbonylContact C-O 3.56Å; Y84-K88 WeakPolarHBondContact CA-O 3.34Å; K85-K88 PolarHBondContact N-O 3.43Å; K85-K88 PolarHBondContact O-N 3.03Å; D86-K88 VanDerWaalsContact C-N 3.29Å; D86-K88 PolarHBondContact O-N 2.83Å; K88-L90 PolarHBondContact O-N 2.99Å
89L94.8Very high92.3Very high93 Ų9353.7 Ų53.749%0.48727%0.269SS..EExtended strand (participates in β ladder)trans-65.4122.6169-178.969000109V82 Y84V82-L89 HydrophobicContact CG1-CD1 3.84Å; Y84-L89 HydrophobicContact CD1-CB 4Å; Y84-L89 HydrophobicContact CD1-CD1 4.34Å; Y84-L89 HydrophobicContact CD2-CD1 4.32Å; Y84-L89 HydrophobicContact CE1-CB 3.81Å; Y84-L89 HydrophobicContact CE1-CD1 3.99Å; Y84-L89 HydrophobicContact CE1-CG 4.47Å; Y84-L89 HydrophobicContact CE2-CD1 3.94Å; Y84-L89 HydrophobicContact CG-CD1 4.49Å
90L92.5Very high92.5Very high85 Ų8554.2 Ų54.245%0.44528%0.279SS..EExtended strand (participates in β ladder)trans-96.5-50.5178.8-67.3-169.6000112Q83 K85 K88 L203Q83-L90 PolarHBondContact O-N 3.25Å; K85-L90 HydrophobicContact CB-CD1 3.36Å; K85-L90 HydrophobicContact CB-CD2 4.25Å; K85-L90 HydrophobicContact CB-CG 3.75Å; K85-L90 HydrophobicContact CD-CD1 3.81Å; K85-L90 HydrophobicContact CG-CD1 4.23Å; K88-L90 PolarHBondContact O-N 2.99Å; L90-L203 HydrophobicContact CD1-CD1 3.51Å
91S87.3Confident92.6Very high30 Ų3059.1 Ų59.121%0.2130%0.302CS..EExtended strand (participates in β ladder)trans-148.2152.1-173.868.60000111.1Q83 H93Q83-S91 VanDerWaalsContact CG-OG 3.29Å; Q83-S91 WeakPolarHBondContact CG-OG 3.42Å; Q83-S91 PolarHBondContact N-O 3.31Å; Q83-S91 PolarHBondContact OE1-OG 2.88Å; S91-H93 PolarHBondContact OG-NE2 3.04Å
92K88.1Confident92.8Very high124 Ų12467 Ų6754%0.53934%0.339SS..EExtended strand (participates in β ladder)trans-135.6106.5169.2-174.8169-176.6-176.90107.9T81 V82 N132T81-K92 CarbonylContact O-C 3.45Å; T81-K92 VanDerWaalsContact O-CA 3.27Å; T81-K92 WeakPolarHBondContact O-CA 3.36Å; V82-K92 HydrophobicContact CG2-CG 4.26Å; K92-N132 WeakPolarHBondContact CE-ND2 3.49Å; K92-N132 WeakPolarHBondContact CE-OD1 3.37Å; K92-N132 PolarHBondContact NZ-ND2 3.31Å; K92-N132 PolarHBondContact NZ-OD1 3.07Å
93H85.5Confident93Very high69 Ų6968.1 Ų68.132%0.31934%0.344SS..  trans-81.1132176.2-62.2-78.9000109.2T81 S91 W195T81-H93 HydrophobicContact CG2-CB 4.26Å; T81-H93 PolarHBondContact O-N 2.84Å; S91-H93 PolarHBondContact OG-NE2 3.04Å; H93-W195 HydrophobicContact CB-CH2 3.84Å; H93-W195 HydrophobicContact CB-CZ2 4.25Å; H93-W195 HydrophobicContact CB-CZ3 4.34Å
94A88.4Confident93.1Very high19 Ų1968 Ų6816%0.15734%0.343CS..  trans-114.6124.7176.900000108.1Q96 N97A94-Q96 PolarHBondContact O-N 2.69Å; A94-Q96 VanDerWaalsContact O-N 3.15Å; A94-N97 WeakPolarHBondContact O-CB 3.28Å; A94-N97 PolarHBondContact O-N 3.34Å
95I92.1Very high93.1Very high0 Ų070.8 Ų70.80%036%0.358CS..Hα-helixtrans-54.7-35.1-173.9-169.8172.8000113N97 H98 L99 F130 N132 I135 P192 W195I95-N97 VanDerWaalsContact C-N 3.3Å; I95-N97 PolarHBondContact O-N 3.49Å; I95-H98 PolarHBondContact O-N 3.09Å; I95-H98 VanDerWaalsContact O-N 3.15Å; I95-L99 HydrophobicContact CD1-CD1 3.86Å; I95-L99 HydrophobicContact CG1-CD1 3.65Å; I95-L99 HydrophobicContact CG1-CG 4Å; I95-L99 PolarHBondContact O-N 3.47Å; I95-F130 HydrophobicContact CG2-CE1 3.56Å; I95-F130 HydrophobicContact CG2-CE2 4.07Å; I95-F130 HydrophobicContact CG2-CZ 3.27Å; I95-N132 WeakPolarHBondContact CB-O 3.44Å; I95-N132 PolarHBondContact N-O 3.22Å; I95-I135 HydrophobicContact CD1-CG1 4.25Å; I95-P192 HydrophobicContact CD1-CG 4.27Å; I95-P192 HydrophobicContact CG1-CG 3.93Å; I95-W195 HydrophobicContact CB-CH2 4.44Å; I95-W195 HydrophobicContact CB-CZ3 3.98Å; I95-W195 HydrophobicContact CG1-CZ3 4.4Å
96Q90.3Very high93.3Very high56 Ų5672.5 Ų72.526%0.26237%0.369SS..Hα-helixtrans-63.5-32.8176.967.3-84.426.600113.4A94 H98 G100 L104 F130A94-Q96 PolarHBondContact O-N 2.69Å; A94-Q96 VanDerWaalsContact O-N 3.15Å; Q96-H98 VanDerWaalsContact C-N 3.27Å; Q96-H98 PolarHBondContact O-N 3.3Å; Q96-G100 VanDerWaalsContact O-CA 3.24Å; Q96-G100 WeakPolarHBondContact O-CA 3.37Å; Q96-G100 PolarHBondContact O-N 3.34Å; Q96-L104 HydrophobicContact CB-CD2 3.51Å; Q96-F130 HydrophobicContact CB-CZ 4.4Å
97N91.1Very high93.5Very high137 Ų13768 Ų6873%0.73335%0.345SS*.Hα-helixtrans-73.9-24.6178.2-65.6-12.2000111.5A94 I95A94-N97 WeakPolarHBondContact O-CB 3.28Å; A94-N97 PolarHBondContact O-N 3.34Å; I95-N97 VanDerWaalsContact C-N 3.3Å; I95-N97 PolarHBondContact O-N 3.49Å
98H92.7Very high93.7Very high107 Ų10769.1 Ų69.150%0.49535%0.348SS..Hα-helixtrans-90.3-45.8-179.4-176.281.1000112.4I95 Q96 P192 W195I95-H98 PolarHBondContact O-N 3.09Å; I95-H98 VanDerWaalsContact O-N 3.15Å; Q96-H98 VanDerWaalsContact C-N 3.27Å; Q96-H98 PolarHBondContact O-N 3.3Å; H98-P192 WeakPolarHBondContact CD2-CB 3.35Å; H98-W195 HydrophobicContact CB-CH2 3.83Å; H98-W195 HydrophobicContact CB-CZ2 3.41Å; H98-W195 VanDerWaalsContact CB-CZ2 3.41Å; H98-W195 AromaticContact CD2-NE1 3.96Å; H98-W195 AromaticContact CE1-NE1 3.89Å; H98-W195 AromaticContact CG-CE2 3.96Å; H98-W195 AromaticContact CG-CZ2 3.5Å; H98-W195 VanDerWaalsContact CG-CZ2 3.5Å; H98-W195 AromaticContact ND1-CZ2 3.93Å; H98-W195 AromaticContact ND1-NE1 3.99Å; H98-W195 AromaticContact NE2-NE1 3.86Å
99L93.7Very high93.9Very high24 Ų2465.2 Ų65.213%0.12633%0.334CS..Hα-helixtrans-82-25.4-179.9-64.7-176.6000113.3I95 L103 L104 L178 P192I95-L99 HydrophobicContact CD1-CD1 3.86Å; I95-L99 HydrophobicContact CG1-CD1 3.65Å; I95-L99 HydrophobicContact CG1-CG 4Å; I95-L99 PolarHBondContact O-N 3.47Å; L99-L103 HydrophobicContact CB-CD2 4.26Å; L99-L103 HydrophobicContact CB-CG 4.5Å; L99-L103 HydrophobicContact CD2-CD2 4.05Å; L99-L104 HydrophobicContact CD1-CD1 4.44Å; L99-L178 HydrophobicContact CD1-CD2 3.77Å; L99-L178 HydrophobicContact CD2-CD2 3.86Å; L99-P192 HydrophobicContact CD1-CG 4.38Å; L99-P192 HydrophobicContact CD2-CB 4.08Å; L99-P192 HydrophobicContact CD2-CG 3.9Å; L99-P192 HydrophobicContact CG-CG 4.03Å
100G95.6Very high94.1Very high31 Ų3162.1 Ų62.132%0.3232%0.316SS..  trans77.6151.9-167.300000112.6Q96 E102 L104Q96-G100 VanDerWaalsContact O-CA 3.24Å; Q96-G100 WeakPolarHBondContact O-CA 3.37Å; Q96-G100 PolarHBondContact O-N 3.34Å; G100-E102 VanDerWaalsContact C-N 3.34Å; G100-E102 PolarHBondContact O-N 3.17Å; G100-L104 VanDerWaalsContact O-CB 3.28Å; G100-L104 WeakPolarHBondContact O-CB 3.47Å; G100-L104 PolarHBondContact O-N 3.39Å; G100-L104 VanDerWaalsContact O-N 3.14Å
101E95.8Very high94.4Very high103 Ų10358.1 Ų58.148%0.48130%0.295SS..Hα-helixtrans-62.6-35.8-175.7-75.1-66.8160.900113.3L104 Q105E101-L104 PolarHBondContact O-N 3.38Å; E101-Q105 VanDerWaalsContact O-CB 3.32Å; E101-Q105 WeakPolarHBondContact O-CB 3.47Å; E101-Q105 VanDerWaalsContact O-CG 3.25Å; E101-Q105 WeakPolarHBondContact O-CG 3.39Å; E101-Q105 PolarHBondContact O-N 3.21Å; E101-Q105 PolarHBondContact OE2-NE2 2.95Å
102E97.7Very high94.9Very high168 Ų16860.8 Ų60.879%0.78531%0.307SS*.Hα-helixtrans-63.3-53.1-179-67.1-167.715400111.9G100 L104 Q105 D106G100-E102 VanDerWaalsContact C-N 3.34Å; G100-E102 PolarHBondContact O-N 3.17Å; E102-L104 VanDerWaalsContact C-N 3.28Å; E102-L104 PolarHBondContact O-N 3.34Å; E102-Q105 PolarHBondContact O-N 3.08Å; E102-D106 WeakPolarHBondContact O-CB 3.46Å; E102-D106 PolarHBondContact O-N 3.12Å
103L97.4Very high95.4Very high31 Ų3162.2 Ų62.216%0.16231%0.309CS..Hα-helixtrans-62.8-39.2178.2177.153.6000111.6L99 D106 L107 F173 K176L99-L103 HydrophobicContact CB-CD2 4.26Å; L99-L103 HydrophobicContact CB-CG 4.5Å; L99-L103 HydrophobicContact CD2-CD2 4.05Å; L103-D106 PolarHBondContact O-N 3.39Å; L103-L107 WeakPolarHBondContact O-CB 3.24Å; L103-L107 PolarHBondContact O-N 3.42Å; L103-F173 HydrophobicContact CD1-CD1 3.76Å; L103-F173 HydrophobicContact CD1-CE1 3.99Å; L103-K176 HydrophobicContact CD1-CB 4.24Å; L103-K176 HydrophobicContact CD1-CD 3.52Å; L103-K176 HydrophobicContact CD2-CB 4.28Å
104L97Very high96Very high4 Ų462 Ų622%0.02131%0.306CS..Hα-helixtrans-64-45.6179.1-173.563.9000111.8Q96 L99 G100 E101 E102 L107 I108 F130 I135Q96-L104 HydrophobicContact CB-CD2 3.51Å; L99-L104 HydrophobicContact CD1-CD1 4.44Å; G100-L104 VanDerWaalsContact O-CB 3.28Å; G100-L104 WeakPolarHBondContact O-CB 3.47Å; G100-L104 PolarHBondContact O-N 3.39Å; G100-L104 VanDerWaalsContact O-N 3.14Å; E101-L104 PolarHBondContact O-N 3.38Å; E102-L104 VanDerWaalsContact C-N 3.28Å; E102-L104 PolarHBondContact O-N 3.34Å; L104-L107 PolarHBondContact O-N 3.26Å; L104-I108 HydrophobicContact CD1-CD1 4.44Å; L104-I108 HydrophobicContact CG-CD1 4.05Å; L104-I108 VanDerWaalsContact O-CG1 3.28Å; L104-I108 WeakPolarHBondContact O-CG1 3.43Å; L104-I108 PolarHBondContact O-N 2.56Å; L104-F130 HydrophobicContact CD1-CE2 3.86Å; L104-F130 HydrophobicContact CD1-CZ 4.32Å; L104-F130 HydrophobicContact CD2-CE2 3.66Å; L104-F130 HydrophobicContact CD2-CZ 3.68Å; L104-F130 HydrophobicContact CG-CE2 4.11Å; L104-I135 HydrophobicContact CD1-CD1 3.35Å; L104-I135 HydrophobicContact CD1-CG1 4.42Å
105Q98.1Very high96.5Very high101 Ų10161.6 Ų61.647%0.47230%0.301SS..Hα-helixtrans-67.6-38.2176.6-72.6-179.628.100111.7E101 E102 L107 I108 N109E101-Q105 VanDerWaalsContact O-CB 3.32Å; E101-Q105 WeakPolarHBondContact O-CB 3.47Å; E101-Q105 VanDerWaalsContact O-CG 3.25Å; E101-Q105 WeakPolarHBondContact O-CG 3.39Å; E101-Q105 PolarHBondContact O-N 3.21Å; E101-Q105 PolarHBondContact OE2-NE2 2.95Å; E102-Q105 PolarHBondContact O-N 3.08Å; Q105-L107 VanDerWaalsContact C-N 3.33Å; Q105-L107 PolarHBondContact O-N 3.07Å; Q105-I108 PolarHBondContact O-N 3.33Å; Q105-N109 WeakPolarHBondContact O-CB 3.49Å; Q105-N109 PolarHBondContact O-N 2.68Å; Q105-N109 PolarHBondContact O-ND2 3.03Å; Q105-N109 VanDerWaalsContact O-ND2 3.12Å
106D98.5Very high96.7Very high80 Ų8064.4 Ų64.443%0.42833%0.33SS..Hα-helixtrans-56.7-47.9172.6-82.4-11.7000111.3E102 L103 N109 F110 F173 K176E102-D106 WeakPolarHBondContact O-CB 3.46Å; E102-D106 PolarHBondContact O-N 3.12Å; L103-D106 PolarHBondContact O-N 3.39Å; D106-N109 PolarHBondContact O-N 2.98Å; D106-F110 VanDerWaalsContact O-CB 3.3Å; D106-F110 WeakPolarHBondContact O-CB 3.48Å; D106-F110 PolarHBondContact O-N 3.37Å; D106-F173 HydrophobicContact CB-CE1 3.94Å; D106-F173 HydrophobicContact CB-CZ 4.32Å; D106-K176 IonicContact OD2-NZ 3.33Å
107L98.3Very high97.1Very high1 Ų168.9 Ų68.91%0.00536%0.355CS..Hα-helixtrans-59.8-51176.7173.763.4000111.7L103 L104 Q105 N109 F110 C111 I135 L169 F173 L178 V190L103-L107 WeakPolarHBondContact O-CB 3.24Å; L103-L107 PolarHBondContact O-N 3.42Å; L104-L107 PolarHBondContact O-N 3.26Å; Q105-L107 VanDerWaalsContact C-N 3.33Å; Q105-L107 PolarHBondContact O-N 3.07Å; L107-N109 PolarHBondContact O-N 3.25Å; L107-F110 PolarHBondContact O-N 2.81Å; L107-C111 WeakPolarHBondContact O-CB 3.33Å; L107-C111 PolarHBondContact O-N 3.15Å; L107-C111 PolarHBondContact O-SG 2.76Å; L107-C111 VanDerWaalsContact O-SG 3.36Å; L107-I135 HydrophobicContact CD2-CD1 3.72Å; L107-L169 HydrophobicContact CD1-CD2 3.71Å; L107-F173 VanDerWaalsContact CA-CZ 3.42Å; L107-F173 HydrophobicContact CB-CE1 4.14Å; L107-F173 HydrophobicContact CB-CZ 4.12Å; L107-F173 HydrophobicContact CD1-CD2 4.4Å; L107-F173 HydrophobicContact CD1-CE2 4.13Å; L107-F173 HydrophobicContact CD1-CZ 4.36Å; L107-L178 HydrophobicContact CD1-CD1 4.26Å; L107-L178 HydrophobicContact CD2-CD1 4.19Å; L107-V190 HydrophobicContact CD1-CG1 4.25Å; L107-V190 HydrophobicContact CD2-CB 4.3Å; L107-V190 HydrophobicContact CD2-CG1 3.73Å
108I98.3Very high97.3Very high39 Ų3963.6 Ų63.620%0.233%0.326CS..Hα-helixtrans-60.3-48.8-179.9-71166.8000110.3L104 Q105 F110 C111 L112 I128 I135L104-I108 HydrophobicContact CD1-CD1 4.44Å; L104-I108 HydrophobicContact CG-CD1 4.05Å; L104-I108 VanDerWaalsContact O-CG1 3.28Å; L104-I108 WeakPolarHBondContact O-CG1 3.43Å; L104-I108 PolarHBondContact O-N 2.56Å; Q105-I108 PolarHBondContact O-N 3.33Å; I108-F110 PolarHBondContact O-N 3.06Å; I108-C111 WeakPolarHBondContact O-CB 3.36Å; I108-C111 PolarHBondContact O-N 2.69Å; I108-L112 HydrophobicContact CG2-CD1 3.91Å; I108-L112 HydrophobicContact CG2-CG 4.37Å; I108-L112 WeakPolarHBondContact O-CG 3.34Å; I108-L112 PolarHBondContact O-N 2.84Å; I108-I128 HydrophobicContact CG2-CD1 4.02Å; I108-I135 HydrophobicContact CG1-CD1 4.35Å
109N98.6Very high97.5Very high68 Ų6867.9 Ų67.936%0.36434%0.344SS..Hα-helixtrans-64.3-40-178.6-72.4-29.1000111.8Q105 D106 L107 R113Q105-N109 WeakPolarHBondContact O-CB 3.49Å; Q105-N109 PolarHBondContact O-N 2.68Å; Q105-N109 PolarHBondContact O-ND2 3.03Å; Q105-N109 VanDerWaalsContact O-ND2 3.12Å; D106-N109 PolarHBondContact O-N 2.98Å; L107-N109 PolarHBondContact O-N 3.25Å; N109-R113 WeakPolarHBondContact O-CG 3.35Å; N109-R113 PolarHBondContact O-N 3.01Å
110F98.8Very high97.7Very high28 Ų2868.1 Ų68.112%0.12335%0.345CS..Hα-helixtrans-60.3-49.1172.5-176.6-82.8000111D106 L107 I108 L112 R113 Y114 F165 A168 L169 E172 F173D106-F110 VanDerWaalsContact O-CB 3.3Å; D106-F110 WeakPolarHBondContact O-CB 3.48Å; D106-F110 PolarHBondContact O-N 3.37Å; L107-F110 PolarHBondContact O-N 2.81Å; I108-F110 PolarHBondContact O-N 3.06Å; F110-L112 PolarHBondContact O-N 3Å; F110-R113 PolarHBondContact O-N 2.67Å; F110-Y114 HydrophobicContact CE1-CD2 4.03Å; F110-Y114 HydrophobicContact CE1-CG 4.44Å; F110-Y114 HydrophobicContact CZ-CD2 4.19Å; F110-Y114 WeakPolarHBondContact O-CB 3.42Å; F110-Y114 PolarHBondContact O-N 3.07Å; F110-F165 HydrophobicContact CD1-CE2 4.43Å; F110-F165 HydrophobicContact CE1-CE2 4.24Å; F110-A168 HydrophobicContact CZ-CB 4.21Å; F110-L169 HydrophobicContact CD1-CD2 3.41Å; F110-L169 VanDerWaalsContact CD1-CD2 3.41Å; F110-L169 HydrophobicContact CD1-CG 4.18Å; F110-L169 HydrophobicContact CE1-CD2 3.68Å; F110-L169 HydrophobicContact CE1-CG 3.95Å; F110-L169 HydrophobicContact CG-CD2 4.38Å; F110-E172 HydrophobicContact CD2-CB 4.25Å; F110-E172 HydrophobicContact CD2-CG 3.6Å; F110-E172 HydrophobicContact CE2-CB 3.79Å; F110-E172 HydrophobicContact CE2-CG 3.58Å; F110-E172 HydrophobicContact CG-CG 4.36Å; F110-E172 HydrophobicContact CZ-CB 4.09Å; F110-E172 HydrophobicContact CZ-CG 4.34Å; F110-F173 HydrophobicContact CB-CE2 3.93Å; F110-F173 HydrophobicContact CB-CZ 3.96Å; F110-F173 HydrophobicContact CD1-CE2 4.23Å; F110-F173 HydrophobicContact CD2-CE2 4.35Å; F110-F173 AromaticContact CG-CE2 3.92Å; F110-F173 HydrophobicContact CG-CE2 3.92Å; F110-F173 HydrophobicContact CG-CZ 4.4Å
111C98.6Very high97.8Very high0 Ų070.9 Ų70.90%036%0.357CS..Hα-helixtrans-58.9-45179.5-77.40000112.3L107 I108 Y114 M115 I128 I137 F165L107-C111 WeakPolarHBondContact O-CB 3.33Å; L107-C111 PolarHBondContact O-N 3.15Å; L107-C111 PolarHBondContact O-SG 2.76Å; L107-C111 VanDerWaalsContact O-SG 3.36Å; I108-C111 WeakPolarHBondContact O-CB 3.36Å; I108-C111 PolarHBondContact O-N 2.69Å; C111-Y114 PolarHBondContact O-N 2.83Å; C111-M115 HydrophobicContact CB-CE 4.22Å; C111-M115 WeakPolarHBondContact O-CB 3.37Å; C111-M115 WeakPolarHBondContact O-CE 3.1Å; C111-M115 WeakPolarHBondContact O-CG 3.27Å; C111-M115 PolarHBondContact O-N 3.47Å; C111-I128 HydrophobicContact CB-CD1 3.83Å; C111-I137 HydrophobicContact CB-CD1 4.17Å; C111-F165 HydrophobicContact CB-CZ 4.11Å
112L98.5Very high97.9Very high87 Ų8769.2 Ų69.246%0.45535%0.348SS..Hα-helixtrans-61.8-47.3177.5-70.3173.1000111.9I108 F110 G116 I128I108-L112 HydrophobicContact CG2-CD1 3.91Å; I108-L112 HydrophobicContact CG2-CG 4.37Å; I108-L112 WeakPolarHBondContact O-CG 3.34Å; I108-L112 PolarHBondContact O-N 2.84Å; F110-L112 PolarHBondContact O-N 3Å; L112-G116 PolarHBondContact O-N 2.79Å; L112-I128 HydrophobicContact CD2-CD1 3.77Å; L112-I128 HydrophobicContact CD2-CG1 4.41Å; L112-I128 HydrophobicContact CG-CD1 3.77Å
113R98.6Very high98Very high153 Ų15364.8 Ų64.858%0.57733%0.326SS*.Hα-helixtrans-61.1-47.3176.7-72.8-171.1-58.6-95.21.9111.6N109 F110 G116 L117N109-R113 WeakPolarHBondContact O-CG 3.35Å; N109-R113 PolarHBondContact O-N 3.01Å; F110-R113 PolarHBondContact O-N 2.67Å; R113-G116 PolarHBondContact O-N 3.4Å; R113-L117 PolarHBondContact O-N 3.36Å
114Y98.5Very high98Very high66 Ų6668.2 Ų68.226%0.25934%0.337SS..Hα-helixtrans-61.6-48.8-179.1-166.3-79.4000111.1F110 C111 G116 L117 I118 F165 A168F110-Y114 HydrophobicContact CE1-CD2 4.03Å; F110-Y114 HydrophobicContact CE1-CG 4.44Å; F110-Y114 HydrophobicContact CZ-CD2 4.19Å; F110-Y114 WeakPolarHBondContact O-CB 3.42Å; F110-Y114 PolarHBondContact O-N 3.07Å; C111-Y114 PolarHBondContact O-N 2.83Å; Y114-G116 VanDerWaalsContact C-N 3.26Å; Y114-G116 PolarHBondContact O-N 3.23Å; Y114-L117 PolarHBondContact O-N 2.95Å; Y114-L117 VanDerWaalsContact O-N 3.11Å; Y114-I118 HydrophobicContact CD1-CD1 3.87Å; Y114-I118 HydrophobicContact CD1-CG1 4.21Å; Y114-I118 HydrophobicContact CE1-CD1 3.88Å; Y114-I118 HydrophobicContact CE1-CG1 4.18Å; Y114-I118 PolarHBondContact O-N 3.34Å; Y114-F165 HydrophobicContact CD1-CB 4.19Å; Y114-F165 AromaticContact CD1-CD1 3.8Å; Y114-F165 HydrophobicContact CD1-CD1 3.8Å; Y114-F165 AromaticContact CD1-CD2 3.25Å; Y114-F165 HydrophobicContact CD1-CD2 3.25Å; Y114-F165 AromaticContact CD1-CE1 3.97Å; Y114-F165 HydrophobicContact CD1-CE1 3.97Å; Y114-F165 AromaticContact CD1-CE2 3.44Å; Y114-F165 HydrophobicContact CD1-CE2 3.44Å; Y114-F165 VanDerWaalsContact CD1-CE2 3.44Å; Y114-F165 AromaticContact CD1-CG 3.47Å; Y114-F165 HydrophobicContact CD1-CG 3.47Å; Y114-F165 VanDerWaalsContact CD1-CG 3.47Å; Y114-F165 AromaticContact CD1-CZ 3.8Å; Y114-F165 HydrophobicContact CD1-CZ 3.8Å; Y114-F165 HydrophobicContact CD2-CD2 4.08Å; Y114-F165 HydrophobicContact CD2-CE2 4.24Å; Y114-F165 HydrophobicContact CE1-CB 3.61Å; Y114-F165 HydrophobicContact CE1-CD1 4.01Å; Y114-F165 AromaticContact CE1-CD2 3.51Å; Y114-F165 HydrophobicContact CE1-CD2 3.51Å; Y114-F165 HydrophobicContact CE1-CE2 4.19Å; Y114-F165 AromaticContact CE1-CG 3.43Å; Y114-F165 HydrophobicContact CE1-CG 3.43Å; Y114-F165 VanDerWaalsContact CE1-CG 3.43Å; Y114-F165 HydrophobicContact CE2-CD2 4.29Å; Y114-F165 AromaticContact CG-CD2 3.57Å; Y114-F165 HydrophobicContact CG-CD2 3.57Å; Y114-F165 AromaticContact CG-CE2 3.48Å; Y114-F165 HydrophobicContact CG-CE2 3.48Å; Y114-F165 VanDerWaalsContact CG-CE2 3.48Å; Y114-F165 HydrophobicContact CG-CG 4.27Å; Y114-F165 HydrophobicContact CG-CZ 4.08Å; Y114-A168 HydrophobicContact CD2-CB 4.26Å; Y114-A168 HydrophobicContact CE2-CB 3.6Å
115M98.1Very high98Very high9 Ų969.1 Ų69.14%0.04435%0.348CS..Hα-helixtrans-65.2-27.7177.2-71.4-171.9-70.300113.3C111 L117 I118 K123 F127 I128 I137 F165C111-M115 HydrophobicContact CB-CE 4.22Å; C111-M115 WeakPolarHBondContact O-CB 3.37Å; C111-M115 WeakPolarHBondContact O-CE 3.1Å; C111-M115 WeakPolarHBondContact O-CG 3.27Å; C111-M115 PolarHBondContact O-N 3.47Å; M115-L117 PolarHBondContact O-N 3.32Å; M115-I118 HydrophobicContact CG-CD1 4.42Å; M115-I118 PolarHBondContact O-N 3.31Å; M115-K123 PolarHBondContact O-NZ 3.32Å; M115-F127 HydrophobicContact CE-CB 3.68Å; M115-F127 HydrophobicContact SD-CB 3.91Å; M115-F127 HydrophobicContact SD-CD1 4.48Å; M115-I128 HydrophobicContact CE-CD1 4.08Å; M115-I128 HydrophobicContact CE-CG1 3.71Å; M115-I137 HydrophobicContact CE-CG2 4.09Å; M115-I137 HydrophobicContact SD-CG2 3.89Å; M115-F165 HydrophobicContact CG-CD1 4.43Å; M115-F165 HydrophobicContact CG-CE1 3.39Å; M115-F165 HydrophobicContact CG-CZ 3.8Å; M115-F165 HydrophobicContact SD-CE1 4.02Å
116G97.7Very high97.9Very high60 Ų6067.7 Ų67.762%0.61935%0.345SS*.Hα-helixtrans-59-30.1172.600000113.3L112 R113 Y114L112-G116 PolarHBondContact O-N 2.79Å; R113-G116 PolarHBondContact O-N 3.4Å; Y114-G116 VanDerWaalsContact C-N 3.26Å; Y114-G116 PolarHBondContact O-N 3.23Å
117L97.1Very high97.9Very high150 Ų15066.6 Ų66.679%0.78534%0.337SS*.Hα-helixtrans-89.4-20.4-178.7-59.7175.6000113.7R113 Y114 M115 K119R113-L117 PolarHBondContact O-N 3.36Å; Y114-L117 PolarHBondContact O-N 2.95Å; Y114-L117 VanDerWaalsContact O-N 3.11Å; M115-L117 PolarHBondContact O-N 3.32Å; L117-K119 PolarHBondContact O-N 2.74Å
118I96.8Very high97.9Very high26 Ų2668.4 Ų68.413%0.13335%0.346CS..  trans-71.9121.9177.8-55.5173.3000109.1Y114 M115 L120 K123 P139 I161 F165Y114-I118 HydrophobicContact CD1-CD1 3.87Å; Y114-I118 HydrophobicContact CD1-CG1 4.21Å; Y114-I118 HydrophobicContact CE1-CD1 3.88Å; Y114-I118 HydrophobicContact CE1-CG1 4.18Å; Y114-I118 PolarHBondContact O-N 3.34Å; M115-I118 HydrophobicContact CG-CD1 4.42Å; M115-I118 PolarHBondContact O-N 3.31Å; I118-L120 HydrophobicContact CG2-CD1 4.46Å; I118-L120 HydrophobicContact CG2-CD2 3.72Å; I118-L120 HydrophobicContact CG2-CG 3.84Å; I118-K123 WeakPolarHBondContact O-CE 3.25Å; I118-K123 PolarHBondContact O-NZ 3.18Å; I118-P139 HydrophobicContact CD1-CB 4.17Å; I118-I161 HydrophobicContact CD1-CG2 3.98Å; I118-I161 HydrophobicContact CG2-CG2 4.23Å; I118-F165 HydrophobicContact CD1-CD1 4.32Å
119K97.1Very high97.7Very high197 Ų19769 Ų6986%0.85735%0.348SS*.  trans-93.6123.6168.5-67.4-171.5179.3-178.60109.5L117L117-K119 PolarHBondContact O-N 2.74Å
120L97.6Very high97.3Very high28 Ų2870.2 Ų70.215%0.14735%0.351CS..  trans-123.2155.2175.9-60.6177.3000108.6I118 K122 K123 P139 I140 F152 I161I118-L120 HydrophobicContact CG2-CD1 4.46Å; I118-L120 HydrophobicContact CG2-CD2 3.72Å; I118-L120 HydrophobicContact CG2-CG 3.84Å; L120-K122 WeakPolarHBondContact CB-O 3.45Å; L120-K122 PolarHBondContact O-N 2.91Å; L120-K123 HydrophobicContact CB-CG 4.44Å; L120-K123 HydrophobicContact CD1-CG 4.35Å; L120-P139 HydrophobicContact CD1-CB 4.19Å; L120-P139 WeakPolarHBondContact CD1-O 3.44Å; L120-I140 HydrophobicContact CD1-CB 4.16Å; L120-F152 HydrophobicContact CD1-CD2 4.1Å; L120-F152 HydrophobicContact CD1-CE2 3.87Å; L120-F152 HydrophobicContact CD2-CD2 4.39Å; L120-F152 HydrophobicContact CD2-CE2 4.12Å; L120-I161 HydrophobicContact CD2-CD1 3.7Å
121P97.6Very high96.7Very high89 Ų8972.4 Ų72.458%0.57836%0.358SS*.SBendtrans-56.1-34.8171.7-26.336.1000112.5I155P121-I155 HydrophobicContact CG-CD1 3.69Å
122K98.3Very high96Very high68 Ų6874.3 Ų74.330%0.29637%0.368SS..  trans-138.7138.6179.9-60.3177.5-175.581.70110L120 E148 E151L120-K122 WeakPolarHBondContact CB-O 3.45Å; L120-K122 PolarHBondContact O-N 2.91Å; K122-E148 HydrophobicContact CD-CG 3.86Å; K122-E151 IonicContact NZ-OE1 3.96Å; K122-E151 PolarHBondContact NZ-OE1 2.92Å; K122-E151 IonicContact NZ-OE2 3Å; K122-E151 PolarHBondContact NZ-OE2 3.48Å
123K98.6Very high95.5Very high76 Ų7670.2 Ų70.233%0.3335%0.347SS..  trans-125146.4162-72.4-172-178.8178.60108.4M115 I118 L120 F127 I140M115-K123 PolarHBondContact O-NZ 3.32Å; I118-K123 WeakPolarHBondContact O-CE 3.25Å; I118-K123 PolarHBondContact O-NZ 3.18Å; L120-K123 HydrophobicContact CB-CG 4.44Å; L120-K123 HydrophobicContact CD1-CG 4.35Å; K123-F127 HydrophobicContact CB-CE1 4.08Å; K123-F127 HydrophobicContact CB-CZ 4.06Å; K123-F127 HydrophobicContact CD-CE1 4.2Å; K123-F127 HydrophobicContact CD-CZ 4.36Å; K123-F127 HydrophobicContact CG-CE1 4.26Å; K123-I140 CarbonylContact C-O 3.52Å; K123-I140 WeakPolarHBondContact CA-O 3.41Å
124R98.1Very high95.1Very high103 Ų10363.5 Ų63.539%0.38932%0.322SS..  trans-120.8-130.3178-62.5-74.1174.7-99.513.4108.2F127 I140 C144 E148R124-F127 WeakPolarHBondContact O-CE2 3.25Å; R124-F127 WeakPolarHBondContact O-CZ 3.3Å; R124-I140 PolarHBondContact N-O 3.3Å; R124-C144 HydrophobicContact CB-CB 4.34Å; R124-C144 HydrophobicContact CG-CB 3.78Å; R124-E148 IonicContact CZ-OE1 3.36Å; R124-E148 IonicContact CZ-OE2 2.88Å; R124-E148 IonicContact NE-OE1 3.17Å; R124-E148 PolarHBondContact NE-OE1 2.92Å; R124-E148 IonicContact NE-OE2 3.03Å; R124-E148 PolarHBondContact NE-OE2 2.87Å; R124-E148 IonicContact NH2-OE1 3.92Å; R124-E148 PolarHBondContact NH2-OE1 3.07Å; R124-E148 IonicContact NH2-OE2 3.5Å
125G95.8Very high94.9Very high23 Ų2360.4 Ų60.424%0.23731%0.31CS..SBendtrans-131.5179177.900000112.1G141 R142 S143G125-G141 CarbonylContact O-C 3.59Å; G125-G141 WeakPolarHBondContact O-CA 3.39Å; G125-R142 PolarHBondContact O-N 2.85Å; G125-S143 WeakPolarHBondContact CA-OG 3.4Å; G125-S143 PolarHBondContact N-OG 3Å; G125-S143 PolarHBondContact O-N 3.23Å; G125-S143 PolarHBondContact O-OG 3.12Å
126T97Very high94.7Very high70 Ų7060 Ų6043%0.42931%0.309SS..  trans57.959.4-176.3-45.30000111.2I128 E129 R142T126-I128 VanDerWaalsContact C-N 3.35Å; T126-E129 HydrophobicContact CG2-CB 3.94Å; T126-E129 HydrophobicContact CG2-CG 4.36Å; T126-R142 HydrophobicContact CG2-CB 4.18Å; T126-R142 PolarHBondContact O-N 3.49Å
127F98.3Very high94.7Very high58 Ų5857.2 Ų57.225%0.25428%0.28SS..SBendtrans-73.4-30.9175.7-58.7-75.7000112.5M115 K123 R124 I137 S138M115-F127 HydrophobicContact CE-CB 3.68Å; M115-F127 HydrophobicContact SD-CB 3.91Å; M115-F127 HydrophobicContact SD-CD1 4.48Å; K123-F127 HydrophobicContact CB-CE1 4.08Å; K123-F127 HydrophobicContact CB-CZ 4.06Å; K123-F127 HydrophobicContact CD-CE1 4.2Å; K123-F127 HydrophobicContact CD-CZ 4.36Å; K123-F127 HydrophobicContact CG-CE1 4.26Å; R124-F127 WeakPolarHBondContact O-CE2 3.25Å; R124-F127 WeakPolarHBondContact O-CZ 3.3Å; F127-I137 CarbonylContact O-C 3.11Å; F127-I137 WeakPolarHBondContact O-CA 3.4Å; F127-S138 WeakPolarHBondContact CA-O 3.28Å; F127-S138 WeakPolarHBondContact CD1-O 3.37Å; F127-S138 PolarHBondContact O-N 2.94Å
128I98.1Very high94.8Very high39 Ų3950.1 Ų50.120%0.224%0.242CC..EExtended strand (participates in β ladder)trans-125.6116.2175.6-57-172.5000105.4I108 C111 L112 M115 T126 I135 N136 I137I108-I128 HydrophobicContact CG2-CD1 4.02Å; C111-I128 HydrophobicContact CB-CD1 3.83Å; L112-I128 HydrophobicContact CD2-CD1 3.77Å; L112-I128 HydrophobicContact CD2-CG1 4.41Å; L112-I128 HydrophobicContact CG-CD1 3.77Å; M115-I128 HydrophobicContact CE-CD1 4.08Å; M115-I128 HydrophobicContact CE-CG1 3.71Å; T126-I128 VanDerWaalsContact C-N 3.35Å; I128-I135 HydrophobicContact CG2-CG2 3.39Å; I128-N136 WeakPolarHBondContact CA-O 3.36Å; I128-I137 HydrophobicContact CB-CD1 4.25Å; I128-I137 HydrophobicContact CD1-CD1 4.22Å; I128-I137 HydrophobicContact CG1-CD1 3.78Å; I128-I137 HydrophobicContact CG2-CD1 3.97Å
129E93.5Very high94.9Very high50 Ų5048.9 Ų48.923%0.23424%0.236CC..EExtended strand (participates in β ladder)trans-108.7119.4171.5-173.4-173.1-9100108.6T126 R131 N136 R142T126-E129 HydrophobicContact CG2-CB 3.94Å; T126-E129 HydrophobicContact CG2-CG 4.36Å; E129-R131 IonicContact OE2-CZ 2.65Å; E129-R131 IonicContact OE2-NE 2.65Å; E129-R131 PolarHBondContact OE2-NE 3.39Å; E129-R131 IonicContact OE2-NH2 3.15Å; E129-R131 PolarHBondContact OE2-NH2 2.97Å; E129-N136 HydrophobicContact CB-CB 4.27Å; E129-N136 PolarHBondContact N-O 2.89Å; E129-N136 PolarHBondContact O-N 3.23Å; E129-R142 IonicContact OE1-CZ 3.77Å; E129-R142 IonicContact OE1-NE 3.77Å; E129-R142 PolarHBondContact OE1-NE 3.48Å; E129-R142 IonicContact OE1-NH1 3.63Å; E129-R142 PolarHBondContact OE1-NH1 2.81Å; E129-R142 IonicContact OE1-NH2 2.92Å; E129-R142 PolarHBondContact OE1-NH2 3.18Å; E129-R142 IonicContact OE2-CZ 3.22Å; E129-R142 IonicContact OE2-NE 3.78Å; E129-R142 IonicContact OE2-NH1 2.6Å; E129-R142 PolarHBondContact OE2-NH1 3.22Å; E129-R142 IonicContact OE2-NH2 2.97Å; E129-R142 PolarHBondContact OE2-NH2 2.96Å
130F90.4Very high94.9Very high95 Ų9539.8 Ų39.842%0.41720%0.197SC..EExtended strand (participates in β ladder)trans-84.9122177.7-154.1-86000109.7I95 Q96 L104 I135I95-F130 HydrophobicContact CG2-CE1 3.56Å; I95-F130 HydrophobicContact CG2-CE2 4.07Å; I95-F130 HydrophobicContact CG2-CZ 3.27Å; Q96-F130 HydrophobicContact CB-CZ 4.4Å; L104-F130 HydrophobicContact CD1-CE2 3.86Å; L104-F130 HydrophobicContact CD1-CZ 4.32Å; L104-F130 HydrophobicContact CD2-CE2 3.66Å; L104-F130 HydrophobicContact CD2-CZ 3.68Å; L104-F130 HydrophobicContact CG-CE2 4.11Å; F130-I135 HydrophobicContact CD2-CD1 4.41Å; F130-I135 HydrophobicContact CD2-CG1 4.11Å; F130-I135 HydrophobicContact CE2-CD1 4.19Å; F130-I135 HydrophobicContact CE2-CG1 4.18Å
131R86.1Confident95Very high73 Ų7338.4 Ų38.428%0.27519%0.19SC..  trans-116.5177.9173.8-57.1-176.7178.7177.5-3.3109.7E129 M134E129-R131 IonicContact OE2-CZ 2.65Å; E129-R131 IonicContact OE2-NE 2.65Å; E129-R131 PolarHBondContact OE2-NE 3.39Å; E129-R131 IonicContact OE2-NH2 3.15Å; E129-R131 PolarHBondContact OE2-NH2 2.97Å; R131-M134 WeakPolarHBondContact CA-O 2.99Å; R131-M134 HydrophobicContact CB-CG 4.06Å; R131-M134 WeakPolarHBondContact CB-O 3.4Å; R131-M134 HydrophobicContact CG-CG 4.44Å; R131-M134 PolarHBondContact N-O 3.38Å
132N85.2Confident94.9Very high40 Ų4037 Ų3721%0.21417%0.173CC..SBendtrans-67.7-47.5-178.6-58.3-51.9000110.4E78 K92 I95E78-N132 PolarHBondContact OE1-ND2 3.12Å; E78-N132 WeakPolarHBondContact OE2-CB 3.14Å; E78-N132 PolarHBondContact OE2-N 3Å; E78-N132 VanDerWaalsContact OE2-N 3.17Å; E78-N132 PolarHBondContact OE2-ND2 2.77Å; K92-N132 WeakPolarHBondContact CE-ND2 3.49Å; K92-N132 WeakPolarHBondContact CE-OD1 3.37Å; K92-N132 PolarHBondContact NZ-ND2 3.31Å; K92-N132 PolarHBondContact NZ-OD1 3.07Å; I95-N132 WeakPolarHBondContact CB-O 3.44Å; I95-N132 PolarHBondContact N-O 3.22Å
133G87.3Confident94.8Very high2 Ų237.3 Ų37.32%0.02118%0.183CC..SBendtrans-91.5-14.2-175.500000117.2W195G133-W195 VanDerWaalsContact O-CE3 3.24Å
134M90.9Very high94.7Very high11 Ų1134.2 Ų34.25%0.05417%0.171CC..  trans-161.4165-164.663.6-172.870.400111.9R131 D189 V190 F191R131-M134 WeakPolarHBondContact CA-O 2.99Å; R131-M134 HydrophobicContact CB-CG 4.06Å; R131-M134 WeakPolarHBondContact CB-O 3.4Å; R131-M134 HydrophobicContact CG-CG 4.44Å; R131-M134 PolarHBondContact N-O 3.38Å; M134-D189 HydrophobicContact SD-CB 4Å; M134-V190 CarbonylContact C-O 3.3Å; M134-V190 WeakPolarHBondContact CA-O 3.45Å; M134-V190 WeakPolarHBondContact CB-O 3.39Å; M134-F191 HydrophobicContact CB-CB 3.97Å
135I93.8Very high94.6Very high1 Ų132.3 Ų32.31%0.00517%0.171CC..EExtended strand (participates in β ladder)trans-113.8119.1168.2-57171.9000107.8I95 L104 L107 I108 I128 F130 I137 V190I95-I135 HydrophobicContact CD1-CG1 4.25Å; L104-I135 HydrophobicContact CD1-CD1 3.35Å; L104-I135 HydrophobicContact CD1-CG1 4.42Å; L107-I135 HydrophobicContact CD2-CD1 3.72Å; I108-I135 HydrophobicContact CG1-CD1 4.35Å; I128-I135 HydrophobicContact CG2-CG2 3.39Å; F130-I135 HydrophobicContact CD2-CD1 4.41Å; F130-I135 HydrophobicContact CD2-CG1 4.11Å; F130-I135 HydrophobicContact CE2-CD1 4.19Å; F130-I135 HydrophobicContact CE2-CG1 4.18Å; I135-I137 HydrophobicContact CG2-CD1 3.55Å; I135-I137 HydrophobicContact CG2-CG1 4.36Å; I135-V190 PolarHBondContact N-O 3.35Å; I135-V190 PolarHBondContact O-N 2.72Å
136N94.1Very high94.5Very high2 Ų236.5 Ų36.51%0.01119%0.187CC..EExtended strand (participates in β ladder)trans-87.8125.9173.3-174.3-105.4000109.8I128 E129 R142 S187 D189I128-N136 WeakPolarHBondContact CA-O 3.36Å; E129-N136 HydrophobicContact CB-CB 4.27Å; E129-N136 PolarHBondContact N-O 2.89Å; E129-N136 PolarHBondContact O-N 3.23Å; N136-R142 WeakPolarHBondContact OD1-CD 3.42Å; N136-R142 PolarHBondContact OD1-NH1 3.14Å; N136-S187 WeakPolarHBondContact ND2-CB 3.37Å; N136-S187 PolarHBondContact ND2-OG 3.26Å; N136-S187 VanDerWaalsContact OD1-CB 3.24Å; N136-S187 WeakPolarHBondContact OD1-CB 3.45Å; N136-S187 PolarHBondContact OD1-OG 3.12Å; N136-D189 WeakPolarHBondContact CB-OD1 3.43Å; N136-D189 PolarHBondContact ND2-OD1 3.15Å
137I98.3Very high94.5Very high1 Ų139.4 Ų39.41%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-112.2123.3-179.2-51.6-64.7000109.6C111 M115 F127 I128 I135 F165 S187 F188 V190C111-I137 HydrophobicContact CB-CD1 4.17Å; M115-I137 HydrophobicContact CE-CG2 4.09Å; M115-I137 HydrophobicContact SD-CG2 3.89Å; F127-I137 CarbonylContact O-C 3.11Å; F127-I137 WeakPolarHBondContact O-CA 3.4Å; I128-I137 HydrophobicContact CB-CD1 4.25Å; I128-I137 HydrophobicContact CD1-CD1 4.22Å; I128-I137 HydrophobicContact CG1-CD1 3.78Å; I128-I137 HydrophobicContact CG2-CD1 3.97Å; I135-I137 HydrophobicContact CG2-CD1 3.55Å; I135-I137 HydrophobicContact CG2-CG1 4.36Å; I137-F165 HydrophobicContact CG2-CE1 3.7Å; I137-F165 HydrophobicContact CG2-CZ 4.06Å; I137-S187 CarbonylContact O-C 3.54Å; I137-S187 WeakPolarHBondContact O-CA 3.32Å; I137-S187 WeakPolarHBondContact O-CB 3.41Å; I137-F188 HydrophobicContact CB-CD2 4.21Å; I137-F188 HydrophobicContact CB-CE1 4.1Å; I137-F188 HydrophobicContact CB-CE2 3.69Å; I137-F188 HydrophobicContact CB-CZ 3.64Å; I137-F188 HydrophobicContact CG1-CE2 3.92Å; I137-F188 HydrophobicContact CG1-CZ 4.25Å; I137-F188 HydrophobicContact CG2-CE1 4.01Å; I137-F188 HydrophobicContact CG2-CE2 4.15Å; I137-F188 HydrophobicContact CG2-CZ 3.59Å; I137-F188 PolarHBondContact N-O 2.83Å; I137-F188 PolarHBondContact O-N 3.27Å; I137-V190 HydrophobicContact CG1-CG2 3.97Å
138S98.3Very high94.5Very high0 Ų037.5 Ų37.50%019%0.188CC..  trans-128109.4-179.6-1800000110.8F127 I140 G141 I186F127-S138 WeakPolarHBondContact CA-O 3.28Å; F127-S138 WeakPolarHBondContact CD1-O 3.37Å; F127-S138 PolarHBondContact O-N 2.94Å; S138-I140 VanDerWaalsContact C-N 3.31Å; S138-I140 PolarHBondContact O-N 3.32Å; S138-G141 PolarHBondContact O-N 3.09Å; S138-G141 PolarHBondContact OG-N 2.78Å; S138-I186 PolarHBondContact OG-O 3.14Å
139P98.4Very high94.5Very high1 Ų139.6 Ų39.61%0.00619%0.193CC..SBendtrans-60-35.2179.7-27.336.4000114.6I118 L120 F152 I161 R162 F165 I186I118-P139 HydrophobicContact CD1-CB 4.17Å; L120-P139 HydrophobicContact CD1-CB 4.19Å; L120-P139 WeakPolarHBondContact CD1-O 3.44Å; P139-F152 HydrophobicContact CB-CE2 4Å; P139-F152 HydrophobicContact CB-CZ 3.98Å; P139-F152 HydrophobicContact CG-CZ 4.01Å; P139-I161 HydrophobicContact CB-CG2 4.33Å; P139-I161 HydrophobicContact CG-CG2 4.25Å; P139-R162 HydrophobicContact CG-CG 4.38Å; P139-F165 HydrophobicContact CG-CD1 4.23Å; P139-I186 WeakPolarHBondContact CD-O 3.41Å
140I98.5Very high94.7Very high5 Ų541 Ų413%0.02620%0.201CC..SBendtrans-77.9-24.3174.4-178.1162.5000112.4L120 K123 R124 S138 C144 E148 F152 I186L120-I140 HydrophobicContact CD1-CB 4.16Å; K123-I140 CarbonylContact C-O 3.52Å; K123-I140 WeakPolarHBondContact CA-O 3.41Å; R124-I140 PolarHBondContact N-O 3.3Å; S138-I140 VanDerWaalsContact C-N 3.31Å; S138-I140 PolarHBondContact O-N 3.32Å; I140-C144 HydrophobicContact CD1-CB 4.15Å; I140-C144 HydrophobicContact CG1-CB 4.12Å; I140-E148 HydrophobicContact CD1-CB 4.15Å; I140-F152 HydrophobicContact CB-CB 4.36Å; I140-F152 HydrophobicContact CB-CD2 3.7Å; I140-F152 HydrophobicContact CB-CE2 4.18Å; I140-F152 HydrophobicContact CB-CG 4Å; I140-F152 HydrophobicContact CD1-CB 3.74Å; I140-F152 HydrophobicContact CD1-CD2 4.42Å; I140-F152 HydrophobicContact CD1-CG 4.33Å; I140-F152 HydrophobicContact CG2-CB 4.18Å; I140-F152 HydrophobicContact CG2-CD1 4.11Å; I140-F152 HydrophobicContact CG2-CD2 3.95Å; I140-F152 HydrophobicContact CG2-CE2 4.38Å; I140-F152 HydrophobicContact CG2-CG 3.78Å; I140-I186 HydrophobicContact CG2-CB 3.83Å; I140-I186 HydrophobicContact CG2-CD1 4.41Å; I140-I186 HydrophobicContact CG2-CG2 3.99Å
141G98Very high95.1Very high0 Ų039.3 Ų39.30%020%0.195CC..  trans89.8138.6-170.500000111.9G125 S138 S143 C144G125-G141 CarbonylContact O-C 3.59Å; G125-G141 WeakPolarHBondContact O-CA 3.39Å; S138-G141 PolarHBondContact O-N 3.09Å; S138-G141 PolarHBondContact OG-N 2.78Å; G141-S143 VanDerWaalsContact C-N 3.32Å; G141-S143 PolarHBondContact O-N 3.49Å; G141-C144 PolarHBondContact O-SG 3.49Å; G141-C144 VanDerWaalsContact O-SG 3.32Å
142R95.3Very high95.6Very high60 Ų6036 Ų3623%0.22618%0.182CC..THydrogen-bonded Turntrans-72-20.4-173.1-68.8-176.462.1151.8-22.5115.6G125 T126 E129 N136 C144 R149 I186G125-R142 PolarHBondContact O-N 2.85Å; T126-R142 HydrophobicContact CG2-CB 4.18Å; T126-R142 PolarHBondContact O-N 3.49Å; E129-R142 IonicContact OE1-CZ 3.77Å; E129-R142 IonicContact OE1-NE 3.77Å; E129-R142 PolarHBondContact OE1-NE 3.48Å; E129-R142 IonicContact OE1-NH1 3.63Å; E129-R142 PolarHBondContact OE1-NH1 2.81Å; E129-R142 IonicContact OE1-NH2 2.92Å; E129-R142 PolarHBondContact OE1-NH2 3.18Å; E129-R142 IonicContact OE2-CZ 3.22Å; E129-R142 IonicContact OE2-NE 3.78Å; E129-R142 IonicContact OE2-NH1 2.6Å; E129-R142 PolarHBondContact OE2-NH1 3.22Å; E129-R142 IonicContact OE2-NH2 2.97Å; E129-R142 PolarHBondContact OE2-NH2 2.96Å; N136-R142 WeakPolarHBondContact OD1-CD 3.42Å; N136-R142 PolarHBondContact OD1-NH1 3.14Å; R142-C144 PolarHBondContact O-N 3.33Å; R142-C144 VanDerWaalsContact O-N 3.15Å; R142-R149 PolarHBondContact O-NH2 2.9Å; R142-R149 VanDerWaalsContact O-NH2 3.07Å; R142-I186 HydrophobicContact CG-CD1 4.48Å
143S96.1Very high96.2Very high74 Ų7434.5 Ų34.552%0.51718%0.175SC..THydrogen-bonded Turntrans-78.116.6178.561.10000113.7G125 G141G125-S143 WeakPolarHBondContact CA-OG 3.4Å; G125-S143 PolarHBondContact N-OG 3Å; G125-S143 PolarHBondContact O-N 3.23Å; G125-S143 PolarHBondContact O-OG 3.12Å; G141-S143 VanDerWaalsContact C-N 3.32Å; G141-S143 PolarHBondContact O-N 3.49Å
144C96.9Very high96.7Very high10 Ų1040 Ų407%0.06820%0.201CC..  trans-78.3151.9174.369.30000113R124 I140 G141 R142 E148 R149R124-C144 HydrophobicContact CB-CB 4.34Å; R124-C144 HydrophobicContact CG-CB 3.78Å; I140-C144 HydrophobicContact CD1-CB 4.15Å; I140-C144 HydrophobicContact CG1-CB 4.12Å; G141-C144 PolarHBondContact O-SG 3.49Å; G141-C144 VanDerWaalsContact O-SG 3.32Å; R142-C144 PolarHBondContact O-N 3.33Å; R142-C144 VanDerWaalsContact O-N 3.15Å; C144-E148 WeakPolarHBondContact CA-OE2 3.5Å; C144-E148 HydrophobicContact CB-CB 3.86Å; C144-E148 WeakPolarHBondContact CB-OE2 3.33Å; C144-R149 WeakPolarHBondContact SG-CG 3.02Å
145T97.1Very high97.1Very high63 Ų6340.3 Ų40.339%0.38720%0.202SC..  trans-70.4171.117879.80000111.7E147 E148 R149T145-E147 VanDerWaalsContact C-N 3.35Å; T145-E147 VanDerWaalsContact CB-OE2 3.3Å; T145-E147 WeakPolarHBondContact CB-OE2 3.42Å; T145-E147 PolarHBondContact OG1-N 3.28Å; T145-E147 PolarHBondContact OG1-OE2 3.04Å; T145-E148 PolarHBondContact N-OE2 3.34Å; T145-E148 PolarHBondContact O-N 2.76Å; T145-E148 WeakPolarHBondContact OG1-CG 3.38Å; T145-E148 PolarHBondContact OG1-N 3.04Å; T145-R149 VanDerWaalsContact O-CG 3.26Å; T145-R149 WeakPolarHBondContact O-CG 3.21Å; T145-R149 PolarHBondContact O-N 3.47Å
146L93.3Very high97.3Very high111 Ų11140.9 Ų40.958%0.58121%0.205SC*.Hα-helixtrans-62.8-42177-179.959.9000112E148 R149 I150L146-E148 VanDerWaalsContact C-N 3.3Å; L146-E148 PolarHBondContact O-N 2.82Å; L146-R149 WeakPolarHBondContact O-CB 3.29Å; L146-R149 PolarHBondContact O-N 3.45Å; L146-R149 VanDerWaalsContact O-N 3.16Å; L146-I150 HydrophobicContact CD1-CD1 4.45Å; L146-I150 HydrophobicContact CG-CD1 4.24Å; L146-I150 WeakPolarHBondContact O-CG1 3.42Å; L146-I150 PolarHBondContact O-N 3.38Å; L146-I150 VanDerWaalsContact O-N 3.07Å
147E97.7Very high97.4Very high131 Ų13148 Ų4861%0.61224%0.236SC*.Hα-helixtrans-60.6-42.8177.6-58.173.8-15800110.6T145 R149 I150 E151T145-E147 VanDerWaalsContact C-N 3.35Å; T145-E147 VanDerWaalsContact CB-OE2 3.3Å; T145-E147 WeakPolarHBondContact CB-OE2 3.42Å; T145-E147 PolarHBondContact OG1-N 3.28Å; T145-E147 PolarHBondContact OG1-OE2 3.04Å; E147-R149 VanDerWaalsContact C-N 3.34Å; E147-R149 PolarHBondContact O-N 2.95Å; E147-I150 PolarHBondContact O-N 3.07Å; E147-E151 PolarHBondContact O-N 3.17Å
148E98.3Very high97.3Very high19 Ų1955.7 Ų55.79%0.08927%0.265CS..Hα-helixtrans-66.8-33.7177-65.6171.6170.500112.4K122 R124 I140 C144 T145 L146 F152K122-E148 HydrophobicContact CD-CG 3.86Å; R124-E148 IonicContact CZ-OE1 3.36Å; R124-E148 IonicContact CZ-OE2 2.88Å; R124-E148 IonicContact NE-OE1 3.17Å; R124-E148 PolarHBondContact NE-OE1 2.92Å; R124-E148 IonicContact NE-OE2 3.03Å; R124-E148 PolarHBondContact NE-OE2 2.87Å; R124-E148 IonicContact NH2-OE1 3.92Å; R124-E148 PolarHBondContact NH2-OE1 3.07Å; R124-E148 IonicContact NH2-OE2 3.5Å; I140-E148 HydrophobicContact CD1-CB 4.15Å; C144-E148 WeakPolarHBondContact CA-OE2 3.5Å; C144-E148 HydrophobicContact CB-CB 3.86Å; C144-E148 WeakPolarHBondContact CB-OE2 3.33Å; T145-E148 PolarHBondContact N-OE2 3.34Å; T145-E148 PolarHBondContact O-N 2.76Å; T145-E148 WeakPolarHBondContact OG1-CG 3.38Å; T145-E148 PolarHBondContact OG1-N 3.04Å; L146-E148 VanDerWaalsContact C-N 3.3Å; L146-E148 PolarHBondContact O-N 2.82Å; E148-F152 WeakPolarHBondContact O-CB 3.37Å; E148-F152 PolarHBondContact O-N 2.88Å
149R97.4Very high97.3Very high82 Ų8259.6 Ų59.631%0.30928%0.283SS..Hα-helixtrans-63.5-42.8173.3-70.8170.8176.1-114.3-3.8111.5R142 C144 T145 L146 E147 S153 I186R142-R149 PolarHBondContact O-NH2 2.9Å; R142-R149 VanDerWaalsContact O-NH2 3.07Å; C144-R149 WeakPolarHBondContact SG-CG 3.02Å; T145-R149 VanDerWaalsContact O-CG 3.26Å; T145-R149 WeakPolarHBondContact O-CG 3.21Å; T145-R149 PolarHBondContact O-N 3.47Å; L146-R149 WeakPolarHBondContact O-CB 3.29Å; L146-R149 PolarHBondContact O-N 3.45Å; L146-R149 VanDerWaalsContact O-N 3.16Å; E147-R149 VanDerWaalsContact C-N 3.34Å; E147-R149 PolarHBondContact O-N 2.95Å; R149-S153 WeakPolarHBondContact O-CB 3.41Å; R149-S153 PolarHBondContact O-N 2.91Å; R149-I186 HydrophobicContact CB-CG2 3.75Å; R149-I186 HydrophobicContact CG-CD1 4.23Å; R149-I186 HydrophobicContact CG-CG2 3.66Å
150I97.3Very high97.3Very high79 Ų7964.1 Ų64.141%0.40530%0.303SS..Hα-helixtrans-66.7-49.1179.3-65.8165.7000109.5L146 E147 F152 S153 E154L146-I150 HydrophobicContact CD1-CD1 4.45Å; L146-I150 HydrophobicContact CG-CD1 4.24Å; L146-I150 WeakPolarHBondContact O-CG1 3.42Å; L146-I150 PolarHBondContact O-N 3.38Å; L146-I150 VanDerWaalsContact O-N 3.07Å; E147-I150 PolarHBondContact O-N 3.07Å; I150-F152 PolarHBondContact O-N 3.33Å; I150-S153 WeakPolarHBondContact O-CB 3.29Å; I150-S153 PolarHBondContact O-N 2.85Å; I150-S153 VanDerWaalsContact O-N 3.08Å; I150-E154 PolarHBondContact O-N 3.36Å
151E98.2Very high97.3Very high60 Ų6064.6 Ų64.628%0.2831%0.305SS..Hα-helixtrans-56.2-47.5176.5-177.1-174-162.700111.5K122 E147 S153 E154 I155K122-E151 IonicContact NZ-OE1 3.96Å; K122-E151 PolarHBondContact NZ-OE1 2.92Å; K122-E151 IonicContact NZ-OE2 3Å; K122-E151 PolarHBondContact NZ-OE2 3.48Å; E147-E151 PolarHBondContact O-N 3.17Å; E151-S153 VanDerWaalsContact C-N 3.34Å; E151-S153 PolarHBondContact O-N 2.87Å; E151-E154 PolarHBondContact O-N 3.15Å; E151-I155 HydrophobicContact CG-CD1 4.09Å; E151-I155 VanDerWaalsContact O-CG1 3.3Å; E151-I155 WeakPolarHBondContact O-CG1 3.36Å; E151-I155 PolarHBondContact O-N 3.14Å; E151-I155 VanDerWaalsContact O-N 3.1Å
152F98.3Very high97.2Very high3 Ų365 Ų651%0.01331%0.307CS..Hα-helixtrans-61.3-41.8175.7177.6-94.6000112.3L120 P139 I140 E148 I150 E154 I155 D156 I161 R162 I186L120-F152 HydrophobicContact CD1-CD2 4.1Å; L120-F152 HydrophobicContact CD1-CE2 3.87Å; L120-F152 HydrophobicContact CD2-CD2 4.39Å; L120-F152 HydrophobicContact CD2-CE2 4.12Å; P139-F152 HydrophobicContact CB-CE2 4Å; P139-F152 HydrophobicContact CB-CZ 3.98Å; P139-F152 HydrophobicContact CG-CZ 4.01Å; I140-F152 HydrophobicContact CB-CB 4.36Å; I140-F152 HydrophobicContact CB-CD2 3.7Å; I140-F152 HydrophobicContact CB-CE2 4.18Å; I140-F152 HydrophobicContact CB-CG 4Å; I140-F152 HydrophobicContact CD1-CB 3.74Å; I140-F152 HydrophobicContact CD1-CD2 4.42Å; I140-F152 HydrophobicContact CD1-CG 4.33Å; I140-F152 HydrophobicContact CG2-CB 4.18Å; I140-F152 HydrophobicContact CG2-CD1 4.11Å; I140-F152 HydrophobicContact CG2-CD2 3.95Å; I140-F152 HydrophobicContact CG2-CE2 4.38Å; I140-F152 HydrophobicContact CG2-CG 3.78Å; E148-F152 WeakPolarHBondContact O-CB 3.37Å; E148-F152 PolarHBondContact O-N 2.88Å; I150-F152 PolarHBondContact O-N 3.33Å; F152-E154 VanDerWaalsContact C-N 3.31Å; F152-E154 PolarHBondContact O-N 2.92Å; F152-I155 PolarHBondContact O-N 2.85Å; F152-D156 HydrophobicContact CD1-CB 4.34Å; F152-D156 HydrophobicContact CE1-CB 3.97Å; F152-D156 HydrophobicContact CZ-CB 4.23Å; F152-D156 VanDerWaalsContact O-CB 3.25Å; F152-D156 WeakPolarHBondContact O-CB 3.31Å; F152-D156 PolarHBondContact O-N 3.01Å; F152-I161 HydrophobicContact CE2-CD1 4.4Å; F152-R162 HydrophobicContact CE1-CG 4.4Å; F152-R162 HydrophobicContact CZ-CG 4.32Å; F152-I186 HydrophobicContact CB-CG2 4.39Å; F152-I186 HydrophobicContact CD1-CB 4Å; F152-I186 HydrophobicContact CD1-CG2 3.84Å; F152-I186 HydrophobicContact CE1-CB 4.32Å; F152-I186 WeakPolarHBondContact CE1-O 3.25Å; F152-I186 HydrophobicContact CG-CG2 4.43Å
153S97.3Very high97.3Very high9 Ų967.5 Ų67.56%0.06332%0.321CS..Hα-helixtrans-60.5-40.2179-177.40000112R149 I150 E151 K157R149-S153 WeakPolarHBondContact O-CB 3.41Å; R149-S153 PolarHBondContact O-N 2.91Å; I150-S153 WeakPolarHBondContact O-CB 3.29Å; I150-S153 PolarHBondContact O-N 2.85Å; I150-S153 VanDerWaalsContact O-N 3.08Å; E151-S153 VanDerWaalsContact C-N 3.34Å; E151-S153 PolarHBondContact O-N 2.87Å; S153-K157 WeakPolarHBondContact O-CB 3.47Å; S153-K157 VanDerWaalsContact O-CG 3.26Å; S153-K157 WeakPolarHBondContact O-CG 3.36Å; S153-K157 PolarHBondContact O-N 2.91Å
154E98Very high97.4Very high119 Ų11969.6 Ų69.656%0.55632%0.321SS*.Hα-helixtrans-66.2-43.2175.9-68178.3161.400112.2I150 E151 F152 K157 R158I150-E154 PolarHBondContact O-N 3.36Å; E151-E154 PolarHBondContact O-N 3.15Å; F152-E154 VanDerWaalsContact C-N 3.31Å; F152-E154 PolarHBondContact O-N 2.92Å; E154-K157 PolarHBondContact O-N 3.38Å; E154-R158 PolarHBondContact O-N 2.99Å
155I98Very high97.4Very high16 Ų1669.1 Ų69.18%0.08232%0.318CS..Hα-helixtrans-63.1-47.9175.3-64.2165.5000110.3P121 E151 F152 K157 R158 E159 I161P121-I155 HydrophobicContact CG-CD1 3.69Å; E151-I155 HydrophobicContact CG-CD1 4.09Å; E151-I155 VanDerWaalsContact O-CG1 3.3Å; E151-I155 WeakPolarHBondContact O-CG1 3.36Å; E151-I155 PolarHBondContact O-N 3.14Å; E151-I155 VanDerWaalsContact O-N 3.1Å; F152-I155 PolarHBondContact O-N 2.85Å; I155-K157 VanDerWaalsContact C-N 3.32Å; I155-K157 PolarHBondContact O-N 3.46Å; I155-R158 PolarHBondContact O-N 3.26Å; I155-R158 VanDerWaalsContact O-N 3.1Å; I155-E159 HydrophobicContact CG2-CG 4.43Å; I155-E159 WeakPolarHBondContact O-CB 3.28Å; I155-E159 PolarHBondContact O-N 2.92Å; I155-I161 HydrophobicContact CG2-CD1 3.74Å
156D97.9Very high97.5Very high13 Ų1367.1 Ų67.17%0.0731%0.305CS..Hα-helixtrans-62.2-37.1-179.5-179.962.4000112.1F152 R158 K160 I161 R162F152-D156 HydrophobicContact CD1-CB 4.34Å; F152-D156 HydrophobicContact CE1-CB 3.97Å; F152-D156 HydrophobicContact CZ-CB 4.23Å; F152-D156 VanDerWaalsContact O-CB 3.25Å; F152-D156 WeakPolarHBondContact O-CB 3.31Å; F152-D156 PolarHBondContact O-N 3.01Å; D156-R158 VanDerWaalsContact C-N 3.35Å; D156-R158 PolarHBondContact O-N 3.26Å; D156-K160 WeakPolarHBondContact O-CA 3.49Å; D156-K160 PolarHBondContact O-N 3.06Å; D156-I161 WeakPolarHBondContact OD1-CB 3.21Å; D156-I161 PolarHBondContact OD1-N 3.14Å; D156-I161 VanDerWaalsContact OD1-N 3.08Å; D156-R162 PolarHBondContact OD1-N 2.76Å; D156-R162 IonicContact OD1-NE 2.82Å; D156-R162 IonicContact OD2-CZ 3.06Å; D156-R162 IonicContact OD2-NE 3.61Å; D156-R162 PolarHBondContact OD2-NE 2.75Å; D156-R162 IonicContact OD2-NH2 2.82Å; D156-R162 PolarHBondContact OD2-NH2 3.32Å
157K96.2Very high97.7Very high152 Ų15264.6 Ų64.666%0.66130%0.3SS*.Hα-helixtrans-61.1-42.1172.5-77172.6-174.9179.90112.3S153 E154 I155S153-K157 WeakPolarHBondContact O-CB 3.47Å; S153-K157 VanDerWaalsContact O-CG 3.26Å; S153-K157 WeakPolarHBondContact O-CG 3.36Å; S153-K157 PolarHBondContact O-N 2.91Å; E154-K157 PolarHBondContact O-N 3.38Å; I155-K157 VanDerWaalsContact C-N 3.32Å; I155-K157 PolarHBondContact O-N 3.46Å
158R97.4Very high97.7Very high163 Ų16359.6 Ų59.662%0.61528%0.282SS*.Hα-helixtrans-75.1-43.7-179.3-178179.961.8-112.4-3.7112.3E154 I155 D156E154-R158 PolarHBondContact O-N 2.99Å; I155-R158 PolarHBondContact O-N 3.26Å; I155-R158 VanDerWaalsContact O-N 3.1Å; D156-R158 VanDerWaalsContact C-N 3.35Å; D156-R158 PolarHBondContact O-N 3.26Å
159E97.9Very high97.7Very high81 Ų8158.7 Ų58.738%0.37928%0.277SS..Hα-helixtrans-100.8-9.6-168.6-67.1176.8-149.400113.4I155 I161 K164I155-E159 HydrophobicContact CG2-CG 4.43Å; I155-E159 WeakPolarHBondContact O-CB 3.28Å; I155-E159 PolarHBondContact O-N 2.92Å; E159-I161 VanDerWaalsContact C-N 3.33Å; E159-I161 HydrophobicContact CB-CD1 4.26Å; E159-I161 HydrophobicContact CB-CG1 3.95Å; E159-I161 PolarHBondContact O-N 3.22Å; E159-K164 WeakPolarHBondContact O-CE 3.21Å; E159-K164 PolarHBondContact O-NZ 2.94Å
160K97.7Very high97.7Very high96 Ų9660.5 Ų60.542%0.41729%0.287SS..  trans56.443.2178.4-64.4-179.3156.3-134.10112.6D156 E163 K164D156-K160 WeakPolarHBondContact O-CA 3.49Å; D156-K160 PolarHBondContact O-N 3.06Å; K160-E163 HydrophobicContact CB-CB 4.16Å; K160-E163 WeakPolarHBondContact CD-OE2 3.48Å; K160-E163 WeakPolarHBondContact CE-OE2 3.36Å; K160-E163 IonicContact NZ-OE1 3.38Å; K160-E163 PolarHBondContact NZ-OE1 2.95Å; K160-E163 IonicContact NZ-OE2 2.61Å; K160-E163 PolarHBondContact NZ-OE2 2.91Å; K160-E163 PolarHBondContact O-N 3.07Å; K160-K164 WeakPolarHBondContact O-CB 3.39Å; K160-K164 VanDerWaalsContact O-CG 3.24Å; K160-K164 WeakPolarHBondContact O-CG 3.39Å; K160-K164 PolarHBondContact O-N 3.47Å
161I98.1Very high97.8Very high15 Ų1565.3 Ų65.38%0.07731%0.305CS..Hα-helixtrans-62.6-52.9-171-66162.1000110.6I118 L120 P139 F152 I155 D156 E159 K164 F165I118-I161 HydrophobicContact CD1-CG2 3.98Å; I118-I161 HydrophobicContact CG2-CG2 4.23Å; L120-I161 HydrophobicContact CD2-CD1 3.7Å; P139-I161 HydrophobicContact CB-CG2 4.33Å; P139-I161 HydrophobicContact CG-CG2 4.25Å; F152-I161 HydrophobicContact CE2-CD1 4.4Å; I155-I161 HydrophobicContact CG2-CD1 3.74Å; D156-I161 WeakPolarHBondContact OD1-CB 3.21Å; D156-I161 PolarHBondContact OD1-N 3.14Å; D156-I161 VanDerWaalsContact OD1-N 3.08Å; E159-I161 VanDerWaalsContact C-N 3.33Å; E159-I161 HydrophobicContact CB-CD1 4.26Å; E159-I161 HydrophobicContact CB-CG1 3.95Å; E159-I161 PolarHBondContact O-N 3.22Å; I161-K164 PolarHBondContact O-N 3.15Å; I161-F165 WeakPolarHBondContact O-CB 3.43Å; I161-F165 PolarHBondContact O-N 3.38Å
162R97.7Very high97.8Very high10 Ų1067.5 Ų67.54%0.03832%0.316CS..Hα-helixtrans-66.4-40.3179.5-68.4-176.6-66.8180-12.4112.1P139 F152 D156 F165 V166 K182 G184 L185 S187 F188P139-R162 HydrophobicContact CG-CG 4.38Å; F152-R162 HydrophobicContact CE1-CG 4.4Å; F152-R162 HydrophobicContact CZ-CG 4.32Å; D156-R162 PolarHBondContact OD1-N 2.76Å; D156-R162 IonicContact OD1-NE 2.82Å; D156-R162 IonicContact OD2-CZ 3.06Å; D156-R162 IonicContact OD2-NE 3.61Å; D156-R162 PolarHBondContact OD2-NE 2.75Å; D156-R162 IonicContact OD2-NH2 2.82Å; D156-R162 PolarHBondContact OD2-NH2 3.32Å; R162-F165 PolarHBondContact O-N 2.89Å; R162-V166 WeakPolarHBondContact O-CB 2.93Å; R162-V166 VanDerWaalsContact O-CG2 3.32Å; R162-V166 WeakPolarHBondContact O-CG2 3.24Å; R162-V166 PolarHBondContact O-N 2.77Å; R162-K182 VanDerWaalsContact NH2-CE 3.34Å; R162-G184 PolarHBondContact NH1-O 2.92Å; R162-L185 VanDerWaalsContact NH1-C 3.34Å; R162-L185 PolarHBondContact NH1-O 3.23Å; R162-L185 PolarHBondContact NH2-O 2.82Å; R162-S187 WeakPolarHBondContact CD-O 3.21Å; R162-S187 PolarHBondContact NH1-O 3.46Å; R162-F188 HydrophobicContact CB-CD1 4.09Å; R162-F188 HydrophobicContact CG-CD1 4.02Å; R162-F188 HydrophobicContact CG-CE1 4.46Å
163E96.2Very high97.8Very high111 Ų11167.8 Ų67.852%0.51932%0.317SS..Hα-helixtrans-59.9-48.5177.2-176.5-173136.100111K160 F165 V166 A167K160-E163 HydrophobicContact CB-CB 4.16Å; K160-E163 WeakPolarHBondContact CD-OE2 3.48Å; K160-E163 WeakPolarHBondContact CE-OE2 3.36Å; K160-E163 IonicContact NZ-OE1 3.38Å; K160-E163 PolarHBondContact NZ-OE1 2.95Å; K160-E163 IonicContact NZ-OE2 2.61Å; K160-E163 PolarHBondContact NZ-OE2 2.91Å; K160-E163 PolarHBondContact O-N 3.07Å; E163-F165 VanDerWaalsContact C-N 3.35Å; E163-F165 PolarHBondContact O-N 2.83Å; E163-V166 PolarHBondContact O-N 2.77Å; E163-A167 WeakPolarHBondContact O-CB 3.43Å; E163-A167 PolarHBondContact O-N 2.75Å
164K98.2Very high97.8Very high119 Ų11970.7 Ų70.752%0.51734%0.342SS..Hα-helixtrans-62.7-40.9176.2-72168.7-179.9166.50112.1E159 K160 I161 A167 A168E159-K164 WeakPolarHBondContact O-CE 3.21Å; E159-K164 PolarHBondContact O-NZ 2.94Å; K160-K164 WeakPolarHBondContact O-CB 3.39Å; K160-K164 VanDerWaalsContact O-CG 3.24Å; K160-K164 WeakPolarHBondContact O-CG 3.39Å; K160-K164 PolarHBondContact O-N 3.47Å; I161-K164 PolarHBondContact O-N 3.15Å; K164-A167 PolarHBondContact O-N 2.92Å; K164-A168 PolarHBondContact O-N 2.84Å
165F98.3Very high97.7Very high0 Ų069.3 Ų69.30%036%0.359CS..Hα-helixtrans-65.6-47.3178.5-166.5177.9000111.4F110 C111 Y114 M115 I118 I137 P139 I161 R162 E163 A167 A168 L169 F188F110-F165 HydrophobicContact CD1-CE2 4.43Å; F110-F165 HydrophobicContact CE1-CE2 4.24Å; C111-F165 HydrophobicContact CB-CZ 4.11Å; Y114-F165 HydrophobicContact CD1-CB 4.19Å; Y114-F165 AromaticContact CD1-CD1 3.8Å; Y114-F165 HydrophobicContact CD1-CD1 3.8Å; Y114-F165 AromaticContact CD1-CD2 3.25Å; Y114-F165 HydrophobicContact CD1-CD2 3.25Å; Y114-F165 AromaticContact CD1-CE1 3.97Å; Y114-F165 HydrophobicContact CD1-CE1 3.97Å; Y114-F165 AromaticContact CD1-CE2 3.44Å; Y114-F165 HydrophobicContact CD1-CE2 3.44Å; Y114-F165 VanDerWaalsContact CD1-CE2 3.44Å; Y114-F165 AromaticContact CD1-CG 3.47Å; Y114-F165 HydrophobicContact CD1-CG 3.47Å; Y114-F165 VanDerWaalsContact CD1-CG 3.47Å; Y114-F165 AromaticContact CD1-CZ 3.8Å; Y114-F165 HydrophobicContact CD1-CZ 3.8Å; Y114-F165 HydrophobicContact CD2-CD2 4.08Å; Y114-F165 HydrophobicContact CD2-CE2 4.24Å; Y114-F165 HydrophobicContact CE1-CB 3.61Å; Y114-F165 HydrophobicContact CE1-CD1 4.01Å; Y114-F165 AromaticContact CE1-CD2 3.51Å; Y114-F165 HydrophobicContact CE1-CD2 3.51Å; Y114-F165 HydrophobicContact CE1-CE2 4.19Å; Y114-F165 AromaticContact CE1-CG 3.43Å; Y114-F165 HydrophobicContact CE1-CG 3.43Å; Y114-F165 VanDerWaalsContact CE1-CG 3.43Å; Y114-F165 HydrophobicContact CE2-CD2 4.29Å; Y114-F165 AromaticContact CG-CD2 3.57Å; Y114-F165 HydrophobicContact CG-CD2 3.57Å; Y114-F165 AromaticContact CG-CE2 3.48Å; Y114-F165 HydrophobicContact CG-CE2 3.48Å; Y114-F165 VanDerWaalsContact CG-CE2 3.48Å; Y114-F165 HydrophobicContact CG-CG 4.27Å; Y114-F165 HydrophobicContact CG-CZ 4.08Å; M115-F165 HydrophobicContact CG-CD1 4.43Å; M115-F165 HydrophobicContact CG-CE1 3.39Å; M115-F165 HydrophobicContact CG-CZ 3.8Å; M115-F165 HydrophobicContact SD-CE1 4.02Å; I118-F165 HydrophobicContact CD1-CD1 4.32Å; I137-F165 HydrophobicContact CG2-CE1 3.7Å; I137-F165 HydrophobicContact CG2-CZ 4.06Å; P139-F165 HydrophobicContact CG-CD1 4.23Å; I161-F165 WeakPolarHBondContact O-CB 3.43Å; I161-F165 PolarHBondContact O-N 3.38Å; R162-F165 PolarHBondContact O-N 2.89Å; E163-F165 VanDerWaalsContact C-N 3.35Å; E163-F165 PolarHBondContact O-N 2.83Å; F165-A167 VanDerWaalsContact C-N 3.3Å; F165-A167 PolarHBondContact O-N 3.15Å; F165-A168 WeakPolarHBondContact O-CB 3.43Å; F165-A168 PolarHBondContact O-N 2.79Å; F165-L169 HydrophobicContact CD2-CD1 3.83Å; F165-L169 HydrophobicContact CD2-CG 4.03Å; F165-L169 HydrophobicContact CE2-CD1 3.78Å; F165-L169 HydrophobicContact CE2-CD2 4.45Å; F165-L169 HydrophobicContact CE2-CG 3.98Å; F165-L169 HydrophobicContact CZ-CD1 4.49Å; F165-L169 PolarHBondContact O-N 3.15Å; F165-F188 HydrophobicContact CB-CE1 4.29Å; F165-F188 HydrophobicContact CB-CZ 4.4Å; F165-F188 AromaticContact CD1-CE1 3.64Å; F165-F188 HydrophobicContact CD1-CE1 3.64Å; F165-F188 AromaticContact CD1-CZ 3.65Å; F165-F188 HydrophobicContact CD1-CZ 3.65Å; F165-F188 HydrophobicContact CD2-CZ 4.33Å; F165-F188 HydrophobicContact CE1-CE1 4.15Å; F165-F188 AromaticContact CE1-CZ 3.88Å; F165-F188 HydrophobicContact CE1-CZ 3.88Å; F165-F188 HydrophobicContact CG-CE1 4.08Å; F165-F188 AromaticContact CG-CZ 3.88Å; F165-F188 HydrophobicContact CG-CZ 3.88Å; F165-F188 HydrophobicContact CZ-CZ 4.31Å
166V97.4Very high97.6Very high21 Ų2172.7 Ų72.713%0.12737%0.373CS..Hα-helixtrans-60.8-39.8174.4169.70000111.1R162 E163 A168 L169 K170 F180 F188R162-V166 WeakPolarHBondContact O-CB 2.93Å; R162-V166 VanDerWaalsContact O-CG2 3.32Å; R162-V166 WeakPolarHBondContact O-CG2 3.24Å; R162-V166 PolarHBondContact O-N 2.77Å; E163-V166 PolarHBondContact O-N 2.77Å; V166-A168 PolarHBondContact O-N 2.97Å; V166-L169 PolarHBondContact O-N 3.17Å; V166-K170 HydrophobicContact CG1-CD 4.07Å; V166-K170 HydrophobicContact CG1-CG 4.29Å; V166-K170 WeakPolarHBondContact O-CB 3.49Å; V166-K170 WeakPolarHBondContact O-CG 3.46Å; V166-K170 PolarHBondContact O-N 2.98Å; V166-F180 HydrophobicContact CG1-CB 3.65Å; V166-F180 HydrophobicContact CG1-CD1 4.39Å; V166-F180 HydrophobicContact CG1-CD2 4.49Å; V166-F180 HydrophobicContact CG1-CG 3.94Å; V166-F180 HydrophobicContact CG2-CB 4.42Å; V166-F188 HydrophobicContact CG2-CB 4.23Å; V166-F188 HydrophobicContact CG2-CD1 3.96Å; V166-F188 HydrophobicContact CG2-CD2 3.64Å; V166-F188 HydrophobicContact CG2-CE1 4.19Å; V166-F188 HydrophobicContact CG2-CE2 3.89Å; V166-F188 HydrophobicContact CG2-CG 3.67Å; V166-F188 HydrophobicContact CG2-CZ 4.15Å
167A97.9Very high97.5Very high57 Ų5773.3 Ų73.347%0.47138%0.383SS..Hα-helixtrans-62.4-41.3175.500000112.3E163 K164 F165 K170 K171E163-A167 WeakPolarHBondContact O-CB 3.43Å; E163-A167 PolarHBondContact O-N 2.75Å; K164-A167 PolarHBondContact O-N 2.92Å; F165-A167 VanDerWaalsContact C-N 3.3Å; F165-A167 PolarHBondContact O-N 3.15Å; A167-K170 PolarHBondContact O-N 3.39Å; A167-K171 PolarHBondContact O-N 3.29Å; A167-K171 VanDerWaalsContact O-N 3.09Å
168A98.4Very high97.5Very high27 Ų2766.6 Ų66.622%0.22335%0.354CS..Hα-helixtrans-64.2-43.7174.900000111.9F110 Y114 K164 F165 V166 K171 E172F110-A168 HydrophobicContact CZ-CB 4.21Å; Y114-A168 HydrophobicContact CD2-CB 4.26Å; Y114-A168 HydrophobicContact CE2-CB 3.6Å; K164-A168 PolarHBondContact O-N 2.84Å; F165-A168 WeakPolarHBondContact O-CB 3.43Å; F165-A168 PolarHBondContact O-N 2.79Å; V166-A168 PolarHBondContact O-N 2.97Å; A168-K171 PolarHBondContact O-N 3.49Å; A168-E172 WeakPolarHBondContact O-CB 3.32Å; A168-E172 PolarHBondContact O-N 2.82Å
169L98.3Very high97.3Very high0 Ų064 Ų640%034%0.344CS..Hα-helixtrans-62-45.9175.3-77.3164.8000112.2L107 F110 F165 V166 K171 E172 F173 F180 F188L107-L169 HydrophobicContact CD1-CD2 3.71Å; F110-L169 HydrophobicContact CD1-CD2 3.41Å; F110-L169 VanDerWaalsContact CD1-CD2 3.41Å; F110-L169 HydrophobicContact CD1-CG 4.18Å; F110-L169 HydrophobicContact CE1-CD2 3.68Å; F110-L169 HydrophobicContact CE1-CG 3.95Å; F110-L169 HydrophobicContact CG-CD2 4.38Å; F165-L169 HydrophobicContact CD2-CD1 3.83Å; F165-L169 HydrophobicContact CD2-CG 4.03Å; F165-L169 HydrophobicContact CE2-CD1 3.78Å; F165-L169 HydrophobicContact CE2-CD2 4.45Å; F165-L169 HydrophobicContact CE2-CG 3.98Å; F165-L169 HydrophobicContact CZ-CD1 4.49Å; F165-L169 PolarHBondContact O-N 3.15Å; V166-L169 PolarHBondContact O-N 3.17Å; L169-K171 PolarHBondContact O-N 2.95Å; L169-E172 PolarHBondContact O-N 2.85Å; L169-F173 HydrophobicContact CD2-CD2 3.97Å; L169-F173 HydrophobicContact CD2-CE2 3.81Å; L169-F173 WeakPolarHBondContact O-CD2 3.48Å; L169-F173 PolarHBondContact O-N 2.85Å; L169-F180 HydrophobicContact CB-CD1 4.38Å; L169-F180 HydrophobicContact CB-CE1 3.57Å; L169-F180 HydrophobicContact CB-CZ 3.72Å; L169-F180 HydrophobicContact CD1-CD1 4.33Å; L169-F180 HydrophobicContact CD1-CE1 3.87Å; L169-F180 HydrophobicContact CG-CE1 4.21Å; L169-F188 HydrophobicContact CD1-CE2 3.53Å; L169-F188 HydrophobicContact CD1-CZ 3.72Å
170K97.6Very high96.9Very high119 Ų11961.4 Ų61.452%0.51733%0.332SS..Hα-helixtrans-58.8-37.5176.5-77.4179.4176.5-175.90112.1V166 A167 A174 F180V166-K170 HydrophobicContact CG1-CD 4.07Å; V166-K170 HydrophobicContact CG1-CG 4.29Å; V166-K170 WeakPolarHBondContact O-CB 3.49Å; V166-K170 WeakPolarHBondContact O-CG 3.46Å; V166-K170 PolarHBondContact O-N 2.98Å; A167-K170 PolarHBondContact O-N 3.39Å; K170-A174 WeakPolarHBondContact O-CA 3.06Å; K170-A174 WeakPolarHBondContact O-CB 3.27Å; K170-A174 PolarHBondContact O-N 2.69Å; K170-F180 HydrophobicContact CD-CD2 4.33Å; K170-F180 HydrophobicContact CG-CD2 3.55Å; K170-F180 HydrophobicContact CG-CE2 3.62Å; K170-F180 HydrophobicContact CG-CG 4.43Å
171K98.3Very high96.3Very high180 Ų18059.8 Ų59.878%0.78333%0.33SS*.Hα-helixtrans-70.4-47.4176.4-176-178.9176.8-176.60111.8A167 A168 L169A167-K171 PolarHBondContact O-N 3.29Å; A167-K171 VanDerWaalsContact O-N 3.09Å; A168-K171 PolarHBondContact O-N 3.49Å; L169-K171 PolarHBondContact O-N 2.95Å
172E98.2Very high95.6Very high107 Ų10766 Ų6650%0.536%0.357SS..Hα-helixtrans-65.1-42.9-177.8-177.269.2-169.300112.3F110 A168 L169F110-E172 HydrophobicContact CD2-CB 4.25Å; F110-E172 HydrophobicContact CD2-CG 3.6Å; F110-E172 HydrophobicContact CE2-CB 3.79Å; F110-E172 HydrophobicContact CE2-CG 3.58Å; F110-E172 HydrophobicContact CG-CG 4.36Å; F110-E172 HydrophobicContact CZ-CB 4.09Å; F110-E172 HydrophobicContact CZ-CG 4.34Å; A168-E172 WeakPolarHBondContact O-CB 3.32Å; A168-E172 PolarHBondContact O-N 2.82Å; L169-E172 PolarHBondContact O-N 2.85Å
173F97.8Very high94.6Very high8 Ų866.1 Ų66.14%0.03536%0.361CS..THydrogen-bonded Turntrans-102.424.7-175.8-62.3-89.1000112.4L103 D106 L107 F110 L169 G175 K176 L178L103-F173 HydrophobicContact CD1-CD1 3.76Å; L103-F173 HydrophobicContact CD1-CE1 3.99Å; D106-F173 HydrophobicContact CB-CE1 3.94Å; D106-F173 HydrophobicContact CB-CZ 4.32Å; L107-F173 VanDerWaalsContact CA-CZ 3.42Å; L107-F173 HydrophobicContact CB-CE1 4.14Å; L107-F173 HydrophobicContact CB-CZ 4.12Å; L107-F173 HydrophobicContact CD1-CD2 4.4Å; L107-F173 HydrophobicContact CD1-CE2 4.13Å; L107-F173 HydrophobicContact CD1-CZ 4.36Å; F110-F173 HydrophobicContact CB-CE2 3.93Å; F110-F173 HydrophobicContact CB-CZ 3.96Å; F110-F173 HydrophobicContact CD1-CE2 4.23Å; F110-F173 HydrophobicContact CD2-CE2 4.35Å; F110-F173 AromaticContact CG-CE2 3.92Å; F110-F173 HydrophobicContact CG-CE2 3.92Å; F110-F173 HydrophobicContact CG-CZ 4.4Å; L169-F173 HydrophobicContact CD2-CD2 3.97Å; L169-F173 HydrophobicContact CD2-CE2 3.81Å; L169-F173 WeakPolarHBondContact O-CD2 3.48Å; L169-F173 PolarHBondContact O-N 2.85Å; F173-G175 PolarHBondContact O-N 2.9Å; F173-K176 HydrophobicContact CB-CB 4.43Å; F173-K176 HydrophobicContact CB-CD 4.45Å; F173-K176 HydrophobicContact CD1-CD 3.89Å; F173-K176 WeakPolarHBondContact O-CB 3.24Å; F173-K176 PolarHBondContact O-N 2.8Å; F173-L178 HydrophobicContact CB-CD1 3.82Å; F173-L178 HydrophobicContact CD1-CD1 4.01Å; F173-L178 HydrophobicContact CG-CD1 3.91Å
174A97.6Very high93.9Very high71 Ų7163.6 Ų63.659%0.58736%0.364SS*.THydrogen-bonded Turntrans-56.1131177.900000110.8K170 K176K170-A174 WeakPolarHBondContact O-CA 3.06Å; K170-A174 WeakPolarHBondContact O-CB 3.27Å; K170-A174 PolarHBondContact O-N 2.69Å; A174-K176 PolarHBondContact O-N 2.83Å
175G96.4Very high93.4Very high89 Ų8961.9 Ų61.992%0.91836%0.36SS*.THydrogen-bonded Turntrans76.1-0.9-178.900000115.4F173 G177F173-G175 PolarHBondContact O-N 2.9Å; G175-G177 VanDerWaalsContact C-N 3.32Å; G175-G177 PolarHBondContact O-N 3.01Å
176K96.4Very high93.3Very high87 Ų8762.1 Ų62.138%0.37836%0.361SS..SBendtrans-91.717.2179.7-57.8-168.6176.5-178.40114.2L103 D106 F173 A174 L178L103-K176 HydrophobicContact CD1-CB 4.24Å; L103-K176 HydrophobicContact CD1-CD 3.52Å; L103-K176 HydrophobicContact CD2-CB 4.28Å; D106-K176 IonicContact OD2-NZ 3.33Å; F173-K176 HydrophobicContact CB-CB 4.43Å; F173-K176 HydrophobicContact CB-CD 4.45Å; F173-K176 HydrophobicContact CD1-CD 3.89Å; F173-K176 WeakPolarHBondContact O-CB 3.24Å; F173-K176 PolarHBondContact O-N 2.8Å; A174-K176 PolarHBondContact O-N 2.83Å; K176-L178 PolarHBondContact O-N 3.44Å
177G95.3Very high93.2Very high27 Ų2761.6 Ų61.628%0.27836%0.359SS..  trans64.433.9174.400000114.9G175 P192 E193G175-G177 VanDerWaalsContact C-N 3.32Å; G175-G177 PolarHBondContact O-N 3.01Å; G177-P192 CarbonylContact O-C 3.54Å; G177-P192 WeakPolarHBondContact O-CA 3.4Å; G177-E193 PolarHBondContact O-N 3.03Å
178L95.7Very high93Very high10 Ų1058.9 Ų58.95%0.05234%0.336CS..EExtended strand (participates in β ladder)trans-102.5141.5175.4-62-177.7000111.9L99 L107 F173 K176 F180 V190L99-L178 HydrophobicContact CD1-CD2 3.77Å; L99-L178 HydrophobicContact CD2-CD2 3.86Å; L107-L178 HydrophobicContact CD1-CD1 4.26Å; L107-L178 HydrophobicContact CD2-CD1 4.19Å; F173-L178 HydrophobicContact CB-CD1 3.82Å; F173-L178 HydrophobicContact CD1-CD1 4.01Å; F173-L178 HydrophobicContact CG-CD1 3.91Å; K176-L178 PolarHBondContact O-N 3.44Å; L178-F180 HydrophobicContact CB-CE2 4.05Å; L178-F180 HydrophobicContact CB-CZ 3.98Å; L178-V190 HydrophobicContact CB-CG1 4.42Å; L178-V190 HydrophobicContact CD1-CG1 4.23Å; L178-V190 HydrophobicContact CD2-CG1 4.44Å
179R93.1Very high92.7Very high108 Ų10858.8 Ų58.841%0.40833%0.332SS..EExtended strand (participates in β ladder)trans-119155.8173.6-65.2-67177.9-130.810.9110.2V190 F191 E193R179-V190 WeakPolarHBondContact O-CA 3.36Å; R179-F191 HydrophobicContact CB-CD2 3.94Å; R179-F191 HydrophobicContact CB-CE1 4.28Å; R179-F191 HydrophobicContact CB-CE2 3.5Å; R179-F191 VanDerWaalsContact CB-CE2 3.5Å; R179-F191 HydrophobicContact CB-CG 4.49Å; R179-F191 HydrophobicContact CB-CZ 3.69Å; R179-F191 HydrophobicContact CG-CE2 4.29Å; R179-F191 PolarHBondContact N-O 3.17Å; R179-F191 PolarHBondContact O-N 3.08Å; R179-F191 VanDerWaalsContact O-N 3.14Å; R179-E193 HydrophobicContact CG-CB 4.04Å; R179-E193 HydrophobicContact CG-CG 4.35Å; R179-E193 IonicContact CZ-OE1 3.01Å; R179-E193 IonicContact CZ-OE2 2.71Å; R179-E193 IonicContact NE-OE1 3Å; R179-E193 IonicContact NE-OE2 2.72Å; R179-E193 IonicContact NH2-OE1 2.91Å; R179-E193 PolarHBondContact NH2-OE1 2.8Å; R179-E193 IonicContact NH2-OE2 3.14Å; R179-E193 PolarHBondContact NH2-OE2 3.49Å; R179-E193 VanDerWaalsContact NH2-OE2 3.17Å
180F91.3Very high92.5Very high28 Ų2858.8 Ų58.812%0.12333%0.332CS..EExtended strand (participates in β ladder)trans-139.2123.4-171.9-55.5-91.4000109.7V166 L169 K170 L178 D189 V190V166-F180 HydrophobicContact CG1-CB 3.65Å; V166-F180 HydrophobicContact CG1-CD1 4.39Å; V166-F180 HydrophobicContact CG1-CD2 4.49Å; V166-F180 HydrophobicContact CG1-CG 3.94Å; V166-F180 HydrophobicContact CG2-CB 4.42Å; L169-F180 HydrophobicContact CB-CD1 4.38Å; L169-F180 HydrophobicContact CB-CE1 3.57Å; L169-F180 HydrophobicContact CB-CZ 3.72Å; L169-F180 HydrophobicContact CD1-CD1 4.33Å; L169-F180 HydrophobicContact CD1-CE1 3.87Å; L169-F180 HydrophobicContact CG-CE1 4.21Å; K170-F180 HydrophobicContact CD-CD2 4.33Å; K170-F180 HydrophobicContact CG-CD2 3.55Å; K170-F180 HydrophobicContact CG-CE2 3.62Å; K170-F180 HydrophobicContact CG-CG 4.43Å; L178-F180 HydrophobicContact CB-CE2 4.05Å; L178-F180 HydrophobicContact CB-CZ 3.98Å; F180-D189 VanDerWaalsContact CA-O 3.29Å; F180-D189 WeakPolarHBondContact CA-O 3.34Å; F180-V190 HydrophobicContact CD1-CB 4.34Å; F180-V190 HydrophobicContact CD1-CG1 4.06Å; F180-V190 HydrophobicContact CD1-CG2 3.75Å; F180-V190 HydrophobicContact CE1-CB 4.25Å; F180-V190 HydrophobicContact CE1-CG1 3.6Å; F180-V190 HydrophobicContact CE1-CG2 3.75Å; F180-V190 HydrophobicContact CZ-CG1 4.18Å
181T85.2Confident92.3Very high61 Ų6153.8 Ų53.837%0.37431%0.311SS..EExtended strand (participates in β ladder)trans-127.5144178.7-57.90000110.3G183 F188 D189 F191T181-G183 PolarHBondContact O-N 2.78Å; T181-F188 CarbonylContact O-C 3.57Å; T181-F188 WeakPolarHBondContact O-CA 3.32Å; T181-F188 VanDerWaalsContact O-CB 3.25Å; T181-F188 WeakPolarHBondContact O-CB 3.13Å; T181-D189 PolarHBondContact N-O 3.47Å; T181-D189 VanDerWaalsContact N-O 3.07Å; T181-D189 PolarHBondContact O-N 3.36Å; T181-F191 VanDerWaalsContact OG1-CE1 3.31Å; T181-F191 WeakPolarHBondContact OG1-CE1 3.49Å; T181-F191 WeakPolarHBondContact OG1-CZ 3.36Å
182K82.9Confident92.1Very high147 Ų14745.2 Ų45.264%0.63927%0.273SS*.EExtended strand (participates in β ladder)trans-69.4125.7178.6-174.2178.9177.9-179.90110.2R162R162-K182 VanDerWaalsContact NH2-CE 3.34Å
183G75.9Confident91.8Very high12 Ų1244.9 Ų44.912%0.12427%0.272CS..EExtended strand (participates in β ladder)trans-102.890.6-179.600000111.3T181 L185 S187T181-G183 PolarHBondContact O-N 2.78Å; G183-L185 PolarHBondContact O-N 2.72Å; G183-S187 CarbonylContact C-O 3.51Å; G183-S187 WeakPolarHBondContact CA-O 3.4Å; G183-S187 PolarHBondContact N-O 3.11Å; G183-S187 CarbonylContact O-C 3.59Å; G183-S187 PolarHBondContact O-N 2.8Å; G183-S187 VanDerWaalsContact O-N 3.14Å; G183-S187 PolarHBondContact O-OG 2.91Å; G183-S187 VanDerWaalsContact O-OG 3.11Å
184G81.9Confident91.5Very high58 Ų5845.6 Ų45.660%0.59828%0.281SS*.THydrogen-bonded Turntrans52.4-136.4176.700000114.2R162R162-G184 PolarHBondContact NH1-O 2.92Å
185L88.2Confident91.3Very high83 Ų8342.8 Ų42.844%0.43526%0.255SS..THydrogen-bonded Turntrans-82.3-32.2-173.2-63.5-178000114.4R162 G183R162-L185 VanDerWaalsContact NH1-C 3.34Å; R162-L185 PolarHBondContact NH1-O 3.23Å; R162-L185 PolarHBondContact NH2-O 2.82Å; G183-L185 PolarHBondContact O-N 2.72Å
186I94.9Very high91.1Very high4 Ų439 Ų392%0.02121%0.214CC..THydrogen-bonded Turntrans-120.3-16-164.963.5168.3000115.7S138 P139 I140 R142 R149 F152S138-I186 PolarHBondContact OG-O 3.14Å; P139-I186 WeakPolarHBondContact CD-O 3.41Å; I140-I186 HydrophobicContact CG2-CB 3.83Å; I140-I186 HydrophobicContact CG2-CD1 4.41Å; I140-I186 HydrophobicContact CG2-CG2 3.99Å; R142-I186 HydrophobicContact CG-CD1 4.48Å; R149-I186 HydrophobicContact CB-CG2 3.75Å; R149-I186 HydrophobicContact CG-CD1 4.23Å; R149-I186 HydrophobicContact CG-CG2 3.66Å; F152-I186 HydrophobicContact CB-CG2 4.39Å; F152-I186 HydrophobicContact CD1-CB 4Å; F152-I186 HydrophobicContact CD1-CG2 3.84Å; F152-I186 HydrophobicContact CE1-CB 4.32Å; F152-I186 WeakPolarHBondContact CE1-O 3.25Å; F152-I186 HydrophobicContact CG-CG2 4.43Å
187S95.3Very high91Very high10 Ų1035 Ų357%0.0720%0.197CC..EExtended strand (participates in β ladder)trans-131.4177.3-169.458.50000112.7N136 I137 R162 G183N136-S187 WeakPolarHBondContact ND2-CB 3.37Å; N136-S187 PolarHBondContact ND2-OG 3.26Å; N136-S187 VanDerWaalsContact OD1-CB 3.24Å; N136-S187 WeakPolarHBondContact OD1-CB 3.45Å; N136-S187 PolarHBondContact OD1-OG 3.12Å; I137-S187 CarbonylContact O-C 3.54Å; I137-S187 WeakPolarHBondContact O-CA 3.32Å; I137-S187 WeakPolarHBondContact O-CB 3.41Å; R162-S187 WeakPolarHBondContact CD-O 3.21Å; R162-S187 PolarHBondContact NH1-O 3.46Å; G183-S187 CarbonylContact C-O 3.51Å; G183-S187 WeakPolarHBondContact CA-O 3.4Å; G183-S187 PolarHBondContact N-O 3.11Å; G183-S187 CarbonylContact O-C 3.59Å; G183-S187 PolarHBondContact O-N 2.8Å; G183-S187 VanDerWaalsContact O-N 3.14Å; G183-S187 PolarHBondContact O-OG 2.91Å; G183-S187 VanDerWaalsContact O-OG 3.11Å
188F94.3Very high91.1Very high1 Ų137.1 Ų37.10%0.00420%0.196CC..EExtended strand (participates in β ladder)trans-141.9152.3164.259.1-91.6000108.5I137 R162 F165 V166 L169 T181 V190I137-F188 HydrophobicContact CB-CD2 4.21Å; I137-F188 HydrophobicContact CB-CE1 4.1Å; I137-F188 HydrophobicContact CB-CE2 3.69Å; I137-F188 HydrophobicContact CB-CZ 3.64Å; I137-F188 HydrophobicContact CG1-CE2 3.92Å; I137-F188 HydrophobicContact CG1-CZ 4.25Å; I137-F188 HydrophobicContact CG2-CE1 4.01Å; I137-F188 HydrophobicContact CG2-CE2 4.15Å; I137-F188 HydrophobicContact CG2-CZ 3.59Å; I137-F188 PolarHBondContact N-O 2.83Å; I137-F188 PolarHBondContact O-N 3.27Å; R162-F188 HydrophobicContact CB-CD1 4.09Å; R162-F188 HydrophobicContact CG-CD1 4.02Å; R162-F188 HydrophobicContact CG-CE1 4.46Å; F165-F188 HydrophobicContact CB-CE1 4.29Å; F165-F188 HydrophobicContact CB-CZ 4.4Å; F165-F188 AromaticContact CD1-CE1 3.64Å; F165-F188 HydrophobicContact CD1-CE1 3.64Å; F165-F188 AromaticContact CD1-CZ 3.65Å; F165-F188 HydrophobicContact CD1-CZ 3.65Å; F165-F188 HydrophobicContact CD2-CZ 4.33Å; F165-F188 HydrophobicContact CE1-CE1 4.15Å; F165-F188 AromaticContact CE1-CZ 3.88Å; F165-F188 HydrophobicContact CE1-CZ 3.88Å; F165-F188 HydrophobicContact CG-CE1 4.08Å; F165-F188 AromaticContact CG-CZ 3.88Å; F165-F188 HydrophobicContact CG-CZ 3.88Å; F165-F188 HydrophobicContact CZ-CZ 4.31Å; V166-F188 HydrophobicContact CG2-CB 4.23Å; V166-F188 HydrophobicContact CG2-CD1 3.96Å; V166-F188 HydrophobicContact CG2-CD2 3.64Å; V166-F188 HydrophobicContact CG2-CE1 4.19Å; V166-F188 HydrophobicContact CG2-CE2 3.89Å; V166-F188 HydrophobicContact CG2-CG 3.67Å; V166-F188 HydrophobicContact CG2-CZ 4.15Å; L169-F188 HydrophobicContact CD1-CE2 3.53Å; L169-F188 HydrophobicContact CD1-CZ 3.72Å; T181-F188 CarbonylContact O-C 3.57Å; T181-F188 WeakPolarHBondContact O-CA 3.32Å; T181-F188 VanDerWaalsContact O-CB 3.25Å; T181-F188 WeakPolarHBondContact O-CB 3.13Å; F188-V190 HydrophobicContact CD2-CG2 4.15Å; F188-V190 HydrophobicContact CE2-CG2 3.97Å
189D91.9Very high91Very high24 Ų2437.3 Ų37.313%0.12820%0.197CC..EExtended strand (participates in β ladder)trans-99.7140.3179.8-64.4-54.9000109.9M134 N136 F180 T181 F191M134-D189 HydrophobicContact SD-CB 4Å; N136-D189 WeakPolarHBondContact CB-OD1 3.43Å; N136-D189 PolarHBondContact ND2-OD1 3.15Å; F180-D189 VanDerWaalsContact CA-O 3.29Å; F180-D189 WeakPolarHBondContact CA-O 3.34Å; T181-D189 PolarHBondContact N-O 3.47Å; T181-D189 VanDerWaalsContact N-O 3.07Å; T181-D189 PolarHBondContact O-N 3.36Å; D189-F191 HydrophobicContact CB-CD1 4.3Å
190V94.7Very high91.1Very high1 Ų132.1 Ų32.11%0.00618%0.178CC..EExtended strand (participates in β ladder)trans-115.4125.9170.9-168.60000108.1L107 M134 I135 I137 L178 R179 F180 F188L107-V190 HydrophobicContact CD1-CG1 4.25Å; L107-V190 HydrophobicContact CD2-CB 4.3Å; L107-V190 HydrophobicContact CD2-CG1 3.73Å; M134-V190 CarbonylContact C-O 3.3Å; M134-V190 WeakPolarHBondContact CA-O 3.45Å; M134-V190 WeakPolarHBondContact CB-O 3.39Å; I135-V190 PolarHBondContact N-O 3.35Å; I135-V190 PolarHBondContact O-N 2.72Å; I137-V190 HydrophobicContact CG1-CG2 3.97Å; L178-V190 HydrophobicContact CB-CG1 4.42Å; L178-V190 HydrophobicContact CD1-CG1 4.23Å; L178-V190 HydrophobicContact CD2-CG1 4.44Å; R179-V190 WeakPolarHBondContact O-CA 3.36Å; F180-V190 HydrophobicContact CD1-CB 4.34Å; F180-V190 HydrophobicContact CD1-CG1 4.06Å; F180-V190 HydrophobicContact CD1-CG2 3.75Å; F180-V190 HydrophobicContact CE1-CB 4.25Å; F180-V190 HydrophobicContact CE1-CG1 3.6Å; F180-V190 HydrophobicContact CE1-CG2 3.75Å; F180-V190 HydrophobicContact CZ-CG1 4.18Å; F188-V190 HydrophobicContact CD2-CG2 4.15Å; F188-V190 HydrophobicContact CE2-CG2 3.97Å
191F93.2Very high91.3Very high14 Ų1430.9 Ų30.96%0.06117%0.172CC..EExtended strand (participates in β ladder)trans-146.8159.7-177.653.1-82.9000110.3M134 R179 T181 D189 W195 D196M134-F191 HydrophobicContact CB-CB 3.97Å; R179-F191 HydrophobicContact CB-CD2 3.94Å; R179-F191 HydrophobicContact CB-CE1 4.28Å; R179-F191 HydrophobicContact CB-CE2 3.5Å; R179-F191 VanDerWaalsContact CB-CE2 3.5Å; R179-F191 HydrophobicContact CB-CG 4.49Å; R179-F191 HydrophobicContact CB-CZ 3.69Å; R179-F191 HydrophobicContact CG-CE2 4.29Å; R179-F191 PolarHBondContact N-O 3.17Å; R179-F191 PolarHBondContact O-N 3.08Å; R179-F191 VanDerWaalsContact O-N 3.14Å; T181-F191 VanDerWaalsContact OG1-CE1 3.31Å; T181-F191 WeakPolarHBondContact OG1-CE1 3.49Å; T181-F191 WeakPolarHBondContact OG1-CZ 3.36Å; D189-F191 HydrophobicContact CB-CD1 4.3Å; F191-W195 HydrophobicContact CB-CB 4.38Å; F191-W195 HydrophobicContact CD2-CB 4.1Å; F191-D196 HydrophobicContact CE2-CB 4.34Å
192P94.9Very high91.7Very high0 Ų032 Ų320%018%0.176CC..EExtended strand (participates in β ladder)trans-62.5150.8174.7-18.632000111.6I95 H98 L99 G177 G194 W195I95-P192 HydrophobicContact CD1-CG 4.27Å; I95-P192 HydrophobicContact CG1-CG 3.93Å; H98-P192 WeakPolarHBondContact CD2-CB 3.35Å; L99-P192 HydrophobicContact CD1-CG 4.38Å; L99-P192 HydrophobicContact CD2-CB 4.08Å; L99-P192 HydrophobicContact CD2-CG 3.9Å; L99-P192 HydrophobicContact CG-CG 4.03Å; G177-P192 CarbonylContact O-C 3.54Å; G177-P192 WeakPolarHBondContact O-CA 3.4Å; P192-G194 PolarHBondContact O-N 3.1Å; P192-W195 HydrophobicContact CB-CB 4.5Å; P192-W195 HydrophobicContact CB-CD2 4.06Å; P192-W195 HydrophobicContact CB-CG 3.87Å; P192-W195 HydrophobicContact CG-CD2 3.61Å; P192-W195 HydrophobicContact CG-CE3 3.91Å; P192-W195 HydrophobicContact CG-CG 3.91Å; P192-W195 HydrophobicContact CG-CZ2 4.27Å; P192-W195 HydrophobicContact CG-CZ3 4.33Å; P192-W195 WeakPolarHBondContact O-CB 3.25Å; P192-W195 PolarHBondContact O-N 3.39Å; P192-W195 VanDerWaalsContact O-N 3.08Å
193E91.5Very high92Very high99 Ų9926.4 Ų26.446%0.46315%0.153SC..THydrogen-bonded Turntrans-56.2133.8171.4-179.4163.7-166.900111.2G177 R179 W195G177-E193 PolarHBondContact O-N 3.03Å; R179-E193 HydrophobicContact CG-CB 4.04Å; R179-E193 HydrophobicContact CG-CG 4.35Å; R179-E193 IonicContact CZ-OE1 3.01Å; R179-E193 IonicContact CZ-OE2 2.71Å; R179-E193 IonicContact NE-OE1 3Å; R179-E193 IonicContact NE-OE2 2.72Å; R179-E193 IonicContact NH2-OE1 2.91Å; R179-E193 PolarHBondContact NH2-OE1 2.8Å; R179-E193 IonicContact NH2-OE2 3.14Å; R179-E193 PolarHBondContact NH2-OE2 3.49Å; R179-E193 VanDerWaalsContact NH2-OE2 3.17Å; E193-W195 VanDerWaalsContact C-N 3.32Å
194G90.6Very high92.9Very high23 Ų2326 Ų2624%0.23715%0.148CC..THydrogen-bonded Turntrans84.9-6.4-175.600000115P192 D196 L199P192-G194 PolarHBondContact O-N 3.1Å; G194-D196 PolarHBondContact O-N 2.98Å; G194-L199 PolarHBondContact O-N 3.25Å
195W93.6Very high93.3Very high12 Ų1229.4 Ų29.45%0.04515%0.148CC..  trans-86.617.5176.3-69.935.4000113.6N79 T81 H93 I95 H98 G133 F191 P192 E193 L199N79-W195 PolarHBondContact ND2-O 3.48Å; T81-W195 HydrophobicContact CG2-CD2 4.17Å; T81-W195 HydrophobicContact CG2-CE3 3.51Å; T81-W195 HydrophobicContact CG2-CZ3 3.81Å; H93-W195 HydrophobicContact CB-CH2 3.84Å; H93-W195 HydrophobicContact CB-CZ2 4.25Å; H93-W195 HydrophobicContact CB-CZ3 4.34Å; I95-W195 HydrophobicContact CB-CH2 4.44Å; I95-W195 HydrophobicContact CB-CZ3 3.98Å; I95-W195 HydrophobicContact CG1-CZ3 4.4Å; H98-W195 HydrophobicContact CB-CH2 3.83Å; H98-W195 HydrophobicContact CB-CZ2 3.41Å; H98-W195 VanDerWaalsContact CB-CZ2 3.41Å; H98-W195 AromaticContact CD2-NE1 3.96Å; H98-W195 AromaticContact CE1-NE1 3.89Å; H98-W195 AromaticContact CG-CE2 3.96Å; H98-W195 AromaticContact CG-CZ2 3.5Å; H98-W195 VanDerWaalsContact CG-CZ2 3.5Å; H98-W195 AromaticContact ND1-CZ2 3.93Å; H98-W195 AromaticContact ND1-NE1 3.99Å; H98-W195 AromaticContact NE2-NE1 3.86Å; G133-W195 VanDerWaalsContact O-CE3 3.24Å; F191-W195 HydrophobicContact CB-CB 4.38Å; F191-W195 HydrophobicContact CD2-CB 4.1Å; P192-W195 HydrophobicContact CB-CB 4.5Å; P192-W195 HydrophobicContact CB-CD2 4.06Å; P192-W195 HydrophobicContact CB-CG 3.87Å; P192-W195 HydrophobicContact CG-CD2 3.61Å; P192-W195 HydrophobicContact CG-CE3 3.91Å; P192-W195 HydrophobicContact CG-CG 3.91Å; P192-W195 HydrophobicContact CG-CZ2 4.27Å; P192-W195 HydrophobicContact CG-CZ3 4.33Å; P192-W195 WeakPolarHBondContact O-CB 3.25Å; P192-W195 PolarHBondContact O-N 3.39Å; P192-W195 VanDerWaalsContact O-N 3.08Å; E193-W195 VanDerWaalsContact C-N 3.32Å; W195-L199 HydrophobicContact CD2-CD2 4.25Å; W195-L199 HydrophobicContact CG-CD2 4.19Å
196D92.3Very high93.2Very high10 Ų1032.1 Ų32.15%0.05316%0.163CC..SBendtrans-70.6-172.4155.856.767.8000110.3F191 G194 R198 L199F191-D196 HydrophobicContact CE2-CB 4.34Å; G194-D196 PolarHBondContact O-N 2.98Å; D196-R198 PolarHBondContact O-N 3.3Å; D196-R198 WeakPolarHBondContact OD1-CB 3.41Å; D196-R198 VanDerWaalsContact OD1-CG 3.22Å; D196-R198 WeakPolarHBondContact OD1-CG 3.41Å; D196-R198 IonicContact OD1-CZ 3.93Å; D196-R198 PolarHBondContact OD1-N 2.71Å; D196-R198 IonicContact OD1-NE 3.74Å; D196-R198 PolarHBondContact OD1-NE 3.37Å; D196-R198 IonicContact OD1-NH2 3.52Å; D196-R198 IonicContact OD2-CZ 2.76Å; D196-R198 IonicContact OD2-NE 3.79Å; D196-R198 PolarHBondContact OD2-NE 3.46Å; D196-R198 IonicContact OD2-NH2 2.93Å; D196-R198 PolarHBondContact OD2-NH2 2.95Å; D196-L199 PolarHBondContact O-N 3.43Å
197K95.3Very high93Very high3 Ų334.1 Ų34.11%0.01317%0.173CC..THydrogen-bonded Turntrans-57.3-19.1-175.4-72.8-178.4165161.80113.6D18 V50 L199 C200 N224 D225 I228D18-K197 VanDerWaalsContact CG-NZ 3.33Å; D18-K197 IonicContact OD1-NZ 3.7Å; D18-K197 PolarHBondContact OD1-NZ 2.84Å; V50-K197 HydrophobicContact CG1-CD 4.22Å; V50-K197 HydrophobicContact CG2-CB 4.12Å; V50-K197 HydrophobicContact CG2-CD 4.41Å; V50-K197 HydrophobicContact CG2-CG 3.93Å; K197-L199 PolarHBondContact O-N 3.38Å; K197-C200 PolarHBondContact O-N 3.38Å; K197-C200 PolarHBondContact O-SG 2.99Å; K197-N224 PolarHBondContact NZ-OD1 3.17Å; K197-D225 WeakPolarHBondContact CD-OD1 3.4Å; K197-D225 IonicContact NZ-OD1 3.04Å; K197-D225 PolarHBondContact NZ-OD1 3.01Å; K197-I228 HydrophobicContact CB-CB 3.81Å; K197-I228 HydrophobicContact CB-CD1 3.99Å; K197-I228 HydrophobicContact CB-CG2 3.61Å; K197-I228 HydrophobicContact CD-CG2 4.07Å; K197-I228 HydrophobicContact CG-CG2 4.46Å
198R95.8Very high92.8Very high71 Ų7136.4 Ų36.427%0.26820%0.197SC..THydrogen-bonded Turntrans-62.1-21.5175.8-67.4177.1-65.5-176.7-5.7114D196 C200 L201 E227 I228 D231D196-R198 PolarHBondContact O-N 3.3Å; D196-R198 WeakPolarHBondContact OD1-CB 3.41Å; D196-R198 VanDerWaalsContact OD1-CG 3.22Å; D196-R198 WeakPolarHBondContact OD1-CG 3.41Å; D196-R198 IonicContact OD1-CZ 3.93Å; D196-R198 PolarHBondContact OD1-N 2.71Å; D196-R198 IonicContact OD1-NE 3.74Å; D196-R198 PolarHBondContact OD1-NE 3.37Å; D196-R198 IonicContact OD1-NH2 3.52Å; D196-R198 IonicContact OD2-CZ 2.76Å; D196-R198 IonicContact OD2-NE 3.79Å; D196-R198 PolarHBondContact OD2-NE 3.46Å; D196-R198 IonicContact OD2-NH2 2.93Å; D196-R198 PolarHBondContact OD2-NH2 2.95Å; R198-C200 PolarHBondContact O-N 2.9Å; R198-C200 VanDerWaalsContact O-N 3.16Å; R198-L201 HydrophobicContact CB-CD1 4.33Å; R198-L201 HydrophobicContact CG-CD1 4.3Å; R198-L201 VanDerWaalsContact O-CB 3.24Å; R198-L201 WeakPolarHBondContact O-CB 3.47Å; R198-L201 PolarHBondContact O-N 3.21Å; R198-E227 WeakPolarHBondContact CD-O 3.49Å; R198-E227 HydrophobicContact CG-CB 4.17Å; R198-I228 HydrophobicContact CG-CB 4.24Å; R198-D231 WeakPolarHBondContact CD-OD2 3.26Å; R198-D231 HydrophobicContact CG-CB 4.18Å
199L94.4Very high92.8Very high14 Ų1437.9 Ų37.97%0.07321%0.205CC..Hα-helixtrans-56.3-33.3178.7-179.166.4000112.5T81 G194 W195 D196 K197 L201 D202T81-L199 HydrophobicContact CG2-CD2 3.29Å; G194-L199 PolarHBondContact O-N 3.25Å; W195-L199 HydrophobicContact CD2-CD2 4.25Å; W195-L199 HydrophobicContact CG-CD2 4.19Å; D196-L199 PolarHBondContact O-N 3.43Å; K197-L199 PolarHBondContact O-N 3.38Å; L199-L201 PolarHBondContact O-N 3.03Å; L199-D202 PolarHBondContact O-N 3.19Å
200C94.9Very high92.9Very high0 Ų042.5 Ų42.50%023%0.23CC..Hα-helixtrans-67.9-24177.975.20000113.1V50 F76 K197 R198 D202 L203 L204V50-C200 HydrophobicContact CG2-CB 4.42Å; F76-C200 HydrophobicContact CB-CB 4.02Å; F76-C200 HydrophobicContact CD1-CB 3.6Å; F76-C200 HydrophobicContact CD2-CB 3.66Å; F76-C200 HydrophobicContact CE1-CB 3.86Å; F76-C200 HydrophobicContact CE2-CB 3.91Å; F76-C200 HydrophobicContact CG-CB 3.48Å; F76-C200 VanDerWaalsContact CG-CB 3.48Å; F76-C200 HydrophobicContact CZ-CB 4Å; K197-C200 PolarHBondContact O-N 3.38Å; K197-C200 PolarHBondContact O-SG 2.99Å; R198-C200 PolarHBondContact O-N 2.9Å; R198-C200 VanDerWaalsContact O-N 3.16Å; C200-D202 VanDerWaalsContact C-N 3.28Å; C200-D202 PolarHBondContact O-N 3.41Å; C200-L203 PolarHBondContact O-N 3.12Å; C200-L204 WeakPolarHBondContact O-CG 3.46Å; C200-L204 PolarHBondContact O-N 2.82Å
201L96.2Very high93Very high1 Ų143.5 Ų43.51%0.00524%0.238CC..Hα-helixtrans-68.8-27.7-178-58.3179.7000112.1L16 R198 L199 L203 L204 E205 I212 I228 D231 R233 T234L16-L201 HydrophobicContact CD2-CD2 4.37Å; R198-L201 HydrophobicContact CB-CD1 4.33Å; R198-L201 HydrophobicContact CG-CD1 4.3Å; R198-L201 VanDerWaalsContact O-CB 3.24Å; R198-L201 WeakPolarHBondContact O-CB 3.47Å; R198-L201 PolarHBondContact O-N 3.21Å; L199-L201 PolarHBondContact O-N 3.03Å; L201-L203 PolarHBondContact O-N 3.22Å; L201-L204 HydrophobicContact CD2-CD1 4.12Å; L201-L204 PolarHBondContact O-N 3.29Å; L201-E205 PolarHBondContact O-N 3.3Å; L201-I212 HydrophobicContact CD2-CD1 4.31Å; L201-I228 HydrophobicContact CD1-CG1 4.2Å; L201-I228 HydrophobicContact CD2-CD1 4.16Å; L201-I228 HydrophobicContact CD2-CG1 4.4Å; L201-I228 HydrophobicContact CG-CD1 4.38Å; L201-I228 HydrophobicContact CG-CG1 4.45Å; L201-D231 HydrophobicContact CD1-CB 3.75Å; L201-R233 VanDerWaalsContact CB-CZ 3.45Å; L201-R233 HydrophobicContact CD1-CB 4.41Å; L201-T234 HydrophobicContact CD1-CG2 3.9Å; L201-T234 HydrophobicContact CD2-CG2 3.79Å
202D92.4Very high93.2Very high85 Ų8543.4 Ų43.446%0.45524%0.238SC..Hα-helixtrans-63.7-33.1178.6-63-9.8000111.7L199 C200 R233L199-D202 PolarHBondContact O-N 3.19Å; C200-D202 VanDerWaalsContact C-N 3.28Å; C200-D202 PolarHBondContact O-N 3.41Å; D202-R233 IonicContact OD1-CZ 3.71Å; D202-R233 IonicContact OD1-NH1 2.75Å; D202-R233 PolarHBondContact OD1-NH1 2.91Å; D202-R233 IonicContact OD1-NH2 2.77Å
203L90.7Very high93.4Very high30 Ų3044.4 Ų44.416%0.15724%0.242CC..Hα-helixtrans-71.2-42.9170.9-178.3136.7000111.2Y74 F76 L90 C200 L201 E205 N206 E207Y74-L203 HydrophobicContact CD1-CD2 4.01Å; Y74-L203 HydrophobicContact CE1-CD2 3.88Å; F76-L203 HydrophobicContact CE1-CD2 4.26Å; F76-L203 HydrophobicContact CZ-CD2 4.13Å; L90-L203 HydrophobicContact CD1-CD1 3.51Å; C200-L203 PolarHBondContact O-N 3.12Å; L201-L203 PolarHBondContact O-N 3.22Å; L203-E205 VanDerWaalsContact C-N 3.32Å; L203-E205 PolarHBondContact O-N 3.35Å; L203-N206 PolarHBondContact O-N 3.45Å; L203-E207 HydrophobicContact CD2-CG 4.25Å
204L94.1Very high93.8Very high2 Ų239.7 Ų39.71%0.0122%0.22CC..Hα-helixtrans-70.3-25.7-173.5-64.5173.5000113.5L14 L16 Y74 F76 C200 L201 N206 E207 L209 I212L14-L204 HydrophobicContact CD2-CD1 3.59Å; L14-L204 HydrophobicContact CD2-CD2 3.55Å; L14-L204 HydrophobicContact CD2-CG 4.18Å; L16-L204 HydrophobicContact CD2-CD1 4.17Å; Y74-L204 HydrophobicContact CD1-CD2 3.97Å; Y74-L204 HydrophobicContact CD2-CD2 4.33Å; Y74-L204 HydrophobicContact CE1-CD2 3.87Å; Y74-L204 HydrophobicContact CE2-CD2 4.25Å; Y74-L204 HydrophobicContact CG-CD2 4.21Å; F76-L204 HydrophobicContact CE2-CD1 4.11Å; F76-L204 HydrophobicContact CE2-CD2 4.29Å; F76-L204 HydrophobicContact CE2-CG 4.35Å; F76-L204 HydrophobicContact CZ-CD1 4.29Å; F76-L204 HydrophobicContact CZ-CD2 3.96Å; F76-L204 HydrophobicContact CZ-CG 4.05Å; C200-L204 WeakPolarHBondContact O-CG 3.46Å; C200-L204 PolarHBondContact O-N 2.82Å; L201-L204 HydrophobicContact CD2-CD1 4.12Å; L201-L204 PolarHBondContact O-N 3.29Å; L204-N206 PolarHBondContact O-N 2.99Å; L204-E207 HydrophobicContact CD2-CG 4.49Å; L204-E207 WeakPolarHBondContact O-CB 3.41Å; L204-E207 PolarHBondContact O-N 3.34Å; L204-E207 VanDerWaalsContact O-N 3.13Å; L204-L209 HydrophobicContact CB-CD1 4.3Å; L204-L209 HydrophobicContact CD2-CD1 4.11Å; L204-I212 HydrophobicContact CB-CD1 3.82Å; L204-I212 HydrophobicContact CD1-CD1 4.14Å
205E89.3Confident94.1Very high130 Ų13038.6 Ų38.661%0.60721%0.209SC*.THydrogen-bonded Turntrans-59.4-31.6179-171.2164.7-157.400112.8L201 L203 R233L201-E205 PolarHBondContact O-N 3.3Å; L203-E205 VanDerWaalsContact C-N 3.32Å; L203-E205 PolarHBondContact O-N 3.35Å; E205-R233 IonicContact OE2-NH1 3.93Å
206N86.8Confident94.4Very high140 Ų14038 Ų3875%0.74921%0.207SC*.THydrogen-bonded Turntrans-93.44.6-178.7-63.4-64.2000113.7L203 L204L203-N206 PolarHBondContact O-N 3.45Å; L204-N206 PolarHBondContact O-N 2.99Å
207E90.4Very high94.6Very high47 Ų4739.8 Ų39.822%0.2222%0.216CC..THydrogen-bonded Turntrans-88.5-1.7-173.8-70.8-73.213700114Y74 K85 L203 L204 L209Y74-E207 HydrophobicContact CE1-CG 4.23Å; Y74-E207 PolarHBondContact OH-OE2 2.86Å; K85-E207 WeakPolarHBondContact CE-OE2 3.36Å; K85-E207 IonicContact NZ-OE1 2.81Å; K85-E207 PolarHBondContact NZ-OE1 3.39Å; K85-E207 IonicContact NZ-OE2 3.73Å; K85-E207 PolarHBondContact NZ-OE2 3.43Å; L203-E207 HydrophobicContact CD2-CG 4.25Å; L204-E207 HydrophobicContact CD2-CG 4.49Å; L204-E207 WeakPolarHBondContact O-CB 3.41Å; L204-E207 PolarHBondContact O-N 3.34Å; L204-E207 VanDerWaalsContact O-N 3.13Å; E207-L209 VanDerWaalsContact C-N 3.31Å; E207-L209 HydrophobicContact CB-CD1 4.17Å; E207-L209 HydrophobicContact CB-CG 3.97Å; E207-L209 PolarHBondContact O-N 3.14Å
208G90.9Very high94.5Very high57 Ų5744 Ų4459%0.58824%0.236SC*.THydrogen-bonded Turntrans65.334.5-178.700000113
209L94.5Very high94.6Very high32 Ų3241 Ų4117%0.16823%0.226CC..  trans-80.2136.8176.9-62.2170.6000110.4N12 L14 K46 L204 E207 I212N12-L209 CarbonylContact O-C 3.53Å; N12-L209 WeakPolarHBondContact O-CA 3.49Å; N12-L209 WeakPolarHBondContact O-CB 3.49Å; N12-L209 WeakPolarHBondContact O-CD2 3.17Å; L14-L209 HydrophobicContact CB-CD1 3.8Å; L14-L209 HydrophobicContact CB-CD2 4.23Å; L14-L209 HydrophobicContact CD2-CD1 3.88Å; K46-L209 HydrophobicContact CD-CD2 4.05Å; L204-L209 HydrophobicContact CB-CD1 4.3Å; L204-L209 HydrophobicContact CD2-CD1 4.11Å; E207-L209 VanDerWaalsContact C-N 3.31Å; E207-L209 HydrophobicContact CB-CD1 4.17Å; E207-L209 HydrophobicContact CB-CG 3.97Å; E207-L209 PolarHBondContact O-N 3.14Å; L209-I212 HydrophobicContact CD1-CD1 4.37Å; L209-I212 HydrophobicContact CD1-CG1 4.04Å
210D94.9Very high94.5Very high121 Ų12144.8 Ų44.865%0.64725%0.253SS*.SBendtrans-75.5-32.1175.9-65.1-29.5000111.2N12N12-D210 HydrophobicContact CB-CB 4.23Å; N12-D210 WeakPolarHBondContact CB-OD2 3.46Å; N12-D210 PolarHBondContact ND2-OD2 3.45Å; N12-D210 PolarHBondContact O-N 3.38Å
211A96.1Very high94.2Very high22 Ų2252.9 Ų52.918%0.18229%0.291CS..EExtended strand (participates in β ladder)trans-159.4147.2179.100000112.3L14 Y213 I235L14-A211 PolarHBondContact N-O 3.39Å; A211-Y213 HydrophobicContact CB-CD2 4.16Å; A211-Y213 HydrophobicContact CB-CE2 3.68Å; A211-I235 HydrophobicContact CB-CD1 4.18Å
212I98.4Very high93.4Very high13 Ų1356.1 Ų56.17%0.06733%0.325CS..EExtended strand (participates in β ladder)trans-116111.2172.1-56.2170000108.1L14 L16 L201 L204 L209 T234 I235L14-I212 HydrophobicContact CD2-CG2 4.36Å; L14-I212 CarbonylContact O-C 3.48Å; L14-I212 WeakPolarHBondContact O-CA 3.28Å; L16-I212 HydrophobicContact CB-CG2 4.21Å; L201-I212 HydrophobicContact CD2-CD1 4.31Å; L204-I212 HydrophobicContact CB-CD1 3.82Å; L204-I212 HydrophobicContact CD1-CD1 4.14Å; L209-I212 HydrophobicContact CD1-CD1 4.37Å; L209-I212 HydrophobicContact CD1-CG1 4.04Å; I212-T234 HydrophobicContact CG2-CG2 4.29Å; I212-T234 CarbonylContact O-C 3.48Å; I212-T234 WeakPolarHBondContact O-CA 3.41Å; I212-I235 PolarHBondContact O-N 3.32Å
213Y98.5Very high93.2Very high20 Ų2052.8 Ų52.88%0.07831%0.31CS..EExtended strand (participates in β ladder)trans-91.1115.8173.7-72-112000107.7I13 L14 C15 L16 A211 I235 F237 L252 F253I13-Y213 HydrophobicContact CG2-CD2 3.59Å; I13-Y213 HydrophobicContact CG2-CE2 3.7Å; L14-Y213 PolarHBondContact O-N 2.89Å; C15-Y213 CarbonylContact C-O 3.45Å; C15-Y213 WeakPolarHBondContact CA-O 3.25Å; L16-Y213 PolarHBondContact N-O 2.96Å; A211-Y213 HydrophobicContact CB-CD2 4.16Å; A211-Y213 HydrophobicContact CB-CE2 3.68Å; Y213-I235 WeakPolarHBondContact CA-O 3.3Å; Y213-I235 HydrophobicContact CE1-CD1 4.33Å; Y213-I235 HydrophobicContact CE1-CG2 4.45Å; Y213-I235 HydrophobicContact CE2-CD1 4.01Å; Y213-F237 HydrophobicContact CD1-CD2 4.24Å; Y213-F237 AromaticContact CD1-CE2 3.36Å; Y213-F237 HydrophobicContact CD1-CE2 3.36Å; Y213-F237 AromaticContact CD1-CZ 3.93Å; Y213-F237 HydrophobicContact CD1-CZ 3.93Å; Y213-F237 AromaticContact CE1-CE2 3.93Å; Y213-F237 HydrophobicContact CE1-CE2 3.93Å; Y213-F237 HydrophobicContact CE1-CZ 4.08Å; Y213-F237 HydrophobicContact CG-CE2 4.33Å; Y213-L252 HydrophobicContact CD1-CD1 4.17Å; Y213-L252 HydrophobicContact CE1-CD1 4.37Å; Y213-L252 HydrophobicContact CE1-CD2 4.47Å; Y213-F253 HydrophobicContact CD1-CZ 4.03Å; Y213-F253 HydrophobicContact CD2-CZ 4.22Å; Y213-F253 HydrophobicContact CE1-CZ 4.23Å; Y213-F253 HydrophobicContact CE2-CZ 4.38Å; Y213-F253 HydrophobicContact CG-CZ 4.07Å
214F98.8Very high93.1Very high0 Ų054.7 Ų54.70%032%0.321CS..EExtended strand (participates in β ladder)trans-101.9131.5178.5176.3-99.8000110.6L16 D18 V50 D225 I228 F229 T234 I235 G236 F237L16-F214 HydrophobicContact CB-CD2 4.37Å; L16-F214 HydrophobicContact CD2-CD2 4.21Å; L16-F214 HydrophobicContact CG-CD2 4.15Å; L16-F214 CarbonylContact O-C 3.57Å; L16-F214 WeakPolarHBondContact O-CA 3.32Å; D18-F214 HydrophobicContact CB-CZ 4.4Å; V50-F214 HydrophobicContact CG1-CE2 3.9Å; F214-D225 HydrophobicContact CE1-CB 3.9Å; F214-D225 HydrophobicContact CZ-CB 4.01Å; F214-D225 WeakPolarHBondContact CZ-OD1 3.3Å; F214-I228 HydrophobicContact CD1-CG2 4.12Å; F214-I228 HydrophobicContact CD2-CD1 3.73Å; F214-I228 HydrophobicContact CD2-CG1 4.01Å; F214-I228 HydrophobicContact CD2-CG2 4.26Å; F214-I228 HydrophobicContact CE1-CG2 3.63Å; F214-I228 HydrophobicContact CE2-CD1 3.87Å; F214-I228 HydrophobicContact CE2-CG1 4.27Å; F214-I228 HydrophobicContact CE2-CG2 3.78Å; F214-I228 HydrophobicContact CG-CD1 4.38Å; F214-I228 HydrophobicContact CG-CG1 4.17Å; F214-I228 HydrophobicContact CG-CG2 4.42Å; F214-I228 HydrophobicContact CZ-CG2 3.44Å; F214-I228 VanDerWaalsContact CZ-CG2 3.44Å; F214-F229 HydrophobicContact CD1-CB 4.08Å; F214-F229 HydrophobicContact CD1-CD2 4.43Å; F214-F229 HydrophobicContact CE1-CB 4.15Å; F214-T234 HydrophobicContact CB-CG2 4.31Å; F214-I235 PolarHBondContact N-O 3.03Å; F214-G236 CarbonylContact O-C 3.54Å; F214-G236 WeakPolarHBondContact O-CA 3.34Å; F214-F237 PolarHBondContact O-N 3.43Å
215F98.8Very high93.1Very high0 Ų054.6 Ų54.60%032%0.32CS..EExtended strand (participates in β ladder)trans-119126.1176.4-59.4-97.4000109.4C15 L16 F17 D18 T22 F237 V239 T245 L248 L252C15-F215 HydrophobicContact CB-CE2 3.98Å; L16-F215 PolarHBondContact O-N 3.13Å; F17-F215 HydrophobicContact CD1-CB 3.69Å; F17-F215 AromaticContact CD1-CD2 3.68Å; F17-F215 HydrophobicContact CD1-CD2 3.68Å; F17-F215 AromaticContact CD1-CG 3.85Å; F17-F215 HydrophobicContact CD1-CG 3.85Å; F17-F215 HydrophobicContact CE1-CB 4.14Å; F17-F215 HydrophobicContact CE1-CD1 4.5Å; F17-F215 AromaticContact CE1-CD2 3.38Å; F17-F215 HydrophobicContact CE1-CD2 3.38Å; F17-F215 AromaticContact CE1-CE2 3.87Å; F17-F215 HydrophobicContact CE1-CE2 3.87Å; F17-F215 AromaticContact CE1-CG 3.76Å; F17-F215 HydrophobicContact CE1-CG 3.76Å; F17-F215 HydrophobicContact CZ-CD2 4.1Å; F17-F215 HydrophobicContact CZ-CE2 4.25Å; D18-F215 PolarHBondContact N-O 3.49Å; T22-F215 HydrophobicContact CG2-CB 4.21Å; T22-F215 WeakPolarHBondContact CG2-O 3.43Å; F215-F237 WeakPolarHBondContact CA-O 3.37Å; F215-F237 HydrophobicContact CD1-CB 3.6Å; F215-F237 HydrophobicContact CD1-CD2 4.47Å; F215-F237 HydrophobicContact CD1-CG 4.15Å; F215-F237 HydrophobicContact CE1-CB 3.81Å; F215-F237 HydrophobicContact CE1-CD1 4.45Å; F215-F237 HydrophobicContact CE1-CD2 4.03Å; F215-F237 AromaticContact CE1-CG 3.83Å; F215-F237 HydrophobicContact CE1-CG 3.83Å; F215-F237 HydrophobicContact CG-CB 4.32Å; F215-F237 HydrophobicContact CZ-CD2 4.16Å; F215-F237 HydrophobicContact CZ-CG 4.41Å; F215-V239 HydrophobicContact CB-CG1 4.49Å; F215-V239 HydrophobicContact CD1-CG1 4.17Å; F215-T245 HydrophobicContact CB-CG2 4.41Å; F215-T245 HydrophobicContact CD1-CG2 4.42Å; F215-T245 HydrophobicContact CG-CG2 4.48Å; F215-L248 HydrophobicContact CE1-CB 4.18Å; F215-L252 HydrophobicContact CE1-CD1 4.26Å; F215-L252 HydrophobicContact CZ-CD1 3.96Å
216G98.3Very high93.4Very high0 Ų052.1 Ų52.10%031%0.306CS..EExtended strand (participates in β ladder)trans-155157.3179.600000112.9T219 D225 F237 T238 V239G216-T219 WeakPolarHBondContact O-CG2 2.95Å; G216-D225 WeakPolarHBondContact CA-OD2 3.28Å; G216-F237 PolarHBondContact N-O 3.08Å; G216-T238 WeakPolarHBondContact O-CA 3.36Å; G216-V239 PolarHBondContact O-N 3.36Å
217N97.3Very high93.8Very high47 Ų4748.4 Ų48.425%0.25128%0.284SS..SBendtrans-100.4-22.9-176.866.6-26000113.5D18 D20 T22 D225 V239D18-N217 PolarHBondContact OD2-OD1 3.31Å; D20-N217 PolarHBondContact O-ND2 3.5Å; D20-N217 PolarHBondContact O-OD1 3.42Å; T22-N217 PolarHBondContact OG1-N 2.94Å; N217-D225 PolarHBondContact N-OD2 3.36Å; N217-D225 PolarHBondContact OD1-OD2 2.9Å; N217-V239 VanDerWaalsContact CA-O 3.29Å; N217-V239 WeakPolarHBondContact CA-O 3.36Å; N217-V239 HydrophobicContact CB-CG2 4.41Å; N217-V239 WeakPolarHBondContact CB-O 3.35Å
218E94Very high94.1Very high91 Ų9146.2 Ų46.243%0.42527%0.274SS..  trans-106.152.2-178.8-70.2-168.9-16500112.3G223 N224 D225 Y226E218-G223 CarbonylContact O-C 3.45Å; E218-G223 VanDerWaalsContact O-C 3.22Å; E218-G223 VanDerWaalsContact O-CA 3.26Å; E218-G223 WeakPolarHBondContact O-CA 3.45Å; E218-N224 PolarHBondContact OE2-N 3.48Å; E218-N224 PolarHBondContact OE2-ND2 2.94Å; E218-D225 PolarHBondContact N-OD2 2.88Å; E218-D225 WeakPolarHBondContact O-CB 3.12Å; E218-D225 PolarHBondContact O-N 2.85Å; E218-D225 VanDerWaalsContact O-N 3.15Å; E218-Y226 PolarHBondContact O-N 2.92Å
219T96.8Very high94.5Very high10 Ų1045.8 Ų45.86%0.06126%0.256CS..  trans-89.7-0.1-170.4540000114.9G216 D225 Y226 F229 T238G216-T219 WeakPolarHBondContact O-CG2 2.95Å; T219-D225 HydrophobicContact CG2-CB 3.85Å; T219-Y226 WeakPolarHBondContact O-CD2 3.37Å; T219-F229 HydrophobicContact CG2-CB 3.9Å; T219-F229 HydrophobicContact CG2-CD2 3.38Å; T219-F229 HydrophobicContact CG2-CE2 4.02Å; T219-F229 HydrophobicContact CG2-CG 3.7Å; T219-T238 WeakPolarHBondContact OG1-CB 3.33Å; T219-T238 WeakPolarHBondContact OG1-CG2 3.17Å; T219-T238 PolarHBondContact OG1-OG1 2.98Å
220S93.4Very high94.6Very high92 Ų9248.5 Ų48.564%0.64327%0.27SS*.SBendtrans-84.5160.2174.6-64.50000111.6G222 G223 Y226S220-G222 PolarHBondContact O-N 3.46Å; S220-G223 WeakPolarHBondContact O-CA 3.35Å; S220-G223 PolarHBondContact O-N 3.24Å; S220-Y226 VanDerWaalsContact C-CD2 3.43Å; S220-Y226 WeakPolarHBondContact O-CB 3.44Å
221E87.5Confident94.8Very high171 Ų17143.4 Ų43.480%0.79924%0.243SC*.THydrogen-bonded Turntrans-51.6126.3-178.6-170.7179.2-178.900112G223 Y226E221-G223 VanDerWaalsContact C-N 3.32Å; E221-Y226 HydrophobicContact CB-CD2 4.36Å; E221-Y226 HydrophobicContact CB-CE2 4.07Å
222G80.2Confident94.8Very high69 Ų6948.4 Ų48.471%0.71127%0.274SS*.THydrogen-bonded Turntrans86-6.6-176.500000115.3S220S220-G222 PolarHBondContact O-N 3.46Å
223G86.6Confident94.8Very high15 Ų1551.4 Ų51.416%0.15528%0.284CS..SBendtrans-77.9153.6167.900000111.8E218 S220 E221 D225 Y226E218-G223 CarbonylContact O-C 3.45Å; E218-G223 VanDerWaalsContact O-C 3.22Å; E218-G223 VanDerWaalsContact O-CA 3.26Å; E218-G223 WeakPolarHBondContact O-CA 3.45Å; S220-G223 WeakPolarHBondContact O-CA 3.35Å; S220-G223 PolarHBondContact O-N 3.24Å; E221-G223 VanDerWaalsContact C-N 3.32Å; G223-D225 PolarHBondContact O-N 2.71Å; G223-Y226 VanDerWaalsContact O-CB 3.28Å; G223-Y226 WeakPolarHBondContact O-CB 3.49Å; G223-Y226 PolarHBondContact O-N 2.81Å
224N88.9Confident94.7Very high69 Ų6951.2 Ų51.237%0.36929%0.285SS..THydrogen-bonded Turntrans-73.9-10.4-171.674.961.9000114.8K197 E218K197-N224 PolarHBondContact NZ-OD1 3.17Å; E218-N224 PolarHBondContact OE2-N 3.48Å; E218-N224 PolarHBondContact OE2-ND2 2.94Å
225D95.4Very high94.7Very high0 Ų054.5 Ų54.50%030%0.302CS..THydrogen-bonded Turntrans-96.4-9.2174.7-64.8-46.9000112.9K197 F214 G216 N217 E218 T219 G223 E227 I228 F229K197-D225 WeakPolarHBondContact CD-OD1 3.4Å; K197-D225 IonicContact NZ-OD1 3.04Å; K197-D225 PolarHBondContact NZ-OD1 3.01Å; F214-D225 HydrophobicContact CE1-CB 3.9Å; F214-D225 HydrophobicContact CZ-CB 4.01Å; F214-D225 WeakPolarHBondContact CZ-OD1 3.3Å; G216-D225 WeakPolarHBondContact CA-OD2 3.28Å; N217-D225 PolarHBondContact N-OD2 3.36Å; N217-D225 PolarHBondContact OD1-OD2 2.9Å; E218-D225 PolarHBondContact N-OD2 2.88Å; E218-D225 WeakPolarHBondContact O-CB 3.12Å; E218-D225 PolarHBondContact O-N 2.85Å; E218-D225 VanDerWaalsContact O-N 3.15Å; T219-D225 HydrophobicContact CG2-CB 3.85Å; G223-D225 PolarHBondContact O-N 2.71Å; D225-E227 PolarHBondContact O-N 3.25Å; D225-I228 VanDerWaalsContact O-CG2 3.24Å; D225-I228 WeakPolarHBondContact O-CG2 3.14Å; D225-I228 PolarHBondContact O-N 3.41Å; D225-F229 WeakPolarHBondContact O-CB 3.38Å; D225-F229 PolarHBondContact O-N 2.61Å
226Y95.1Very high94.7Very high79 Ų7955.7 Ų55.731%0.3132%0.315SS..Hα-helixtrans-55.6-48.7-169.5177-102.2000112.5E218 T219 S220 E221 G223 N230E218-Y226 PolarHBondContact O-N 2.92Å; T219-Y226 WeakPolarHBondContact O-CD2 3.37Å; S220-Y226 VanDerWaalsContact C-CD2 3.43Å; S220-Y226 WeakPolarHBondContact O-CB 3.44Å; E221-Y226 HydrophobicContact CB-CD2 4.36Å; E221-Y226 HydrophobicContact CB-CE2 4.07Å; G223-Y226 VanDerWaalsContact O-CB 3.28Å; G223-Y226 WeakPolarHBondContact O-CB 3.49Å; G223-Y226 PolarHBondContact O-N 2.81Å; Y226-N230 VanDerWaalsContact CD2-ND2 3.27Å; Y226-N230 WeakPolarHBondContact CD2-ND2 3.43Å; Y226-N230 WeakPolarHBondContact CE2-ND2 3.24Å; Y226-N230 PolarHBondContact O-N 3.48Å; Y226-N230 VanDerWaalsContact O-N 3.1Å; Y226-N230 PolarHBondContact O-ND2 2.98Å
227E95.4Very high94.7Very high62 Ų6258.1 Ų58.129%0.2933%0.325SS..Hα-helixtrans-68.7-42.8-174.4-68.780.4-175.900112.5R198 D225 D231R198-E227 WeakPolarHBondContact CD-O 3.49Å; R198-E227 HydrophobicContact CG-CB 4.17Å; D225-E227 PolarHBondContact O-N 3.25Å; E227-D231 PolarHBondContact O-N 3.2Å; E227-D231 VanDerWaalsContact O-N 3.11Å
228I97.5Very high94.8Very high0 Ų058 Ų580%033%0.327CS..Hα-helixtrans-70.5-38.4177.8-175.5167.5000111.3L16 V50 K197 R198 L201 F214 D225 N230 D231 T234L16-I228 HydrophobicContact CD2-CD1 3.76Å; V50-I228 HydrophobicContact CG1-CD1 4.23Å; K197-I228 HydrophobicContact CB-CB 3.81Å; K197-I228 HydrophobicContact CB-CD1 3.99Å; K197-I228 HydrophobicContact CB-CG2 3.61Å; K197-I228 HydrophobicContact CD-CG2 4.07Å; K197-I228 HydrophobicContact CG-CG2 4.46Å; R198-I228 HydrophobicContact CG-CB 4.24Å; L201-I228 HydrophobicContact CD1-CG1 4.2Å; L201-I228 HydrophobicContact CD2-CD1 4.16Å; L201-I228 HydrophobicContact CD2-CG1 4.4Å; L201-I228 HydrophobicContact CG-CD1 4.38Å; L201-I228 HydrophobicContact CG-CG1 4.45Å; F214-I228 HydrophobicContact CD1-CG2 4.12Å; F214-I228 HydrophobicContact CD2-CD1 3.73Å; F214-I228 HydrophobicContact CD2-CG1 4.01Å; F214-I228 HydrophobicContact CD2-CG2 4.26Å; F214-I228 HydrophobicContact CE1-CG2 3.63Å; F214-I228 HydrophobicContact CE2-CD1 3.87Å; F214-I228 HydrophobicContact CE2-CG1 4.27Å; F214-I228 HydrophobicContact CE2-CG2 3.78Å; F214-I228 HydrophobicContact CG-CD1 4.38Å; F214-I228 HydrophobicContact CG-CG1 4.17Å; F214-I228 HydrophobicContact CG-CG2 4.42Å; F214-I228 HydrophobicContact CZ-CG2 3.44Å; F214-I228 VanDerWaalsContact CZ-CG2 3.44Å; D225-I228 VanDerWaalsContact O-CG2 3.24Å; D225-I228 WeakPolarHBondContact O-CG2 3.14Å; D225-I228 PolarHBondContact O-N 3.41Å; I228-N230 VanDerWaalsContact C-N 3.31Å; I228-N230 PolarHBondContact O-N 3.22Å; I228-D231 WeakPolarHBondContact O-CB 3.35Å; I228-D231 PolarHBondContact O-N 3.38Å; I228-T234 HydrophobicContact CG1-CG2 4.17Å; I228-T234 PolarHBondContact O-OG1 3.33Å
229F98.1Very high95Very high48 Ų4853.7 Ų53.721%0.21131%0.306CS..Hα-helixtrans-62.3-36.6177.5174.3-87.8000112.8F214 T219 D225F214-F229 HydrophobicContact CD1-CB 4.08Å; F214-F229 HydrophobicContact CD1-CD2 4.43Å; F214-F229 HydrophobicContact CE1-CB 4.15Å; T219-F229 HydrophobicContact CG2-CB 3.9Å; T219-F229 HydrophobicContact CG2-CD2 3.38Å; T219-F229 HydrophobicContact CG2-CE2 4.02Å; T219-F229 HydrophobicContact CG2-CG 3.7Å; D225-F229 WeakPolarHBondContact O-CB 3.38Å; D225-F229 PolarHBondContact O-N 2.61Å
230N97.4Very high94.9Very high89 Ų8962 Ų6248%0.47634%0.338SS..THydrogen-bonded Turntrans-92-1.7178.6-69.4-75.6000113.4Y226 I228Y226-N230 VanDerWaalsContact CD2-ND2 3.27Å; Y226-N230 WeakPolarHBondContact CD2-ND2 3.43Å; Y226-N230 WeakPolarHBondContact CE2-ND2 3.24Å; Y226-N230 PolarHBondContact O-N 3.48Å; Y226-N230 VanDerWaalsContact O-N 3.1Å; Y226-N230 PolarHBondContact O-ND2 2.98Å; I228-N230 VanDerWaalsContact C-N 3.31Å; I228-N230 PolarHBondContact O-N 3.22Å
231D97.7Very high95.1Very high15 Ų1559.3 Ų59.38%0.0832%0.319CS..  trans-67.6129.2177.3-168.3-64.2000109.5R198 L201 E227 I228 R233 T234R198-D231 WeakPolarHBondContact CD-OD2 3.26Å; R198-D231 HydrophobicContact CG-CB 4.18Å; L201-D231 HydrophobicContact CD1-CB 3.75Å; E227-D231 PolarHBondContact O-N 3.2Å; E227-D231 VanDerWaalsContact O-N 3.11Å; I228-D231 WeakPolarHBondContact O-CB 3.35Å; I228-D231 PolarHBondContact O-N 3.38Å; D231-R233 PolarHBondContact O-N 3.02Å; D231-R233 VanDerWaalsContact OD1-CB 3.27Å; D231-R233 WeakPolarHBondContact OD1-CB 3.17Å; D231-R233 WeakPolarHBondContact OD1-CG 3.22Å; D231-R233 IonicContact OD1-CZ 3.47Å; D231-R233 PolarHBondContact OD1-N 2.78Å; D231-R233 IonicContact OD1-NE 3.75Å; D231-R233 PolarHBondContact OD1-NE 3.41Å; D231-R233 IonicContact OD1-NH2 3.06Å; D231-R233 IonicContact OD2-CZ 3.72Å; D231-R233 IonicContact OD2-NE 3.58Å; D231-R233 IonicContact OD2-NH2 3.46Å; D231-R233 PolarHBondContact OD2-NH2 3.27Å; D231-T234 PolarHBondContact O-N 2.93Å; D231-T234 PolarHBondContact O-OG1 3.1Å; D231-T234 VanDerWaalsContact O-OG1 3.06Å
232P97.1Very high95.6Very high127 Ų12751.6 Ų51.683%0.82528%0.283SS*.THydrogen-bonded Turntrans-62.5-15.2-17626.4-36.7000114.1T234P232-T234 PolarHBondContact O-N 3.06Å
233R97.4Very high96.4Very high75 Ų7553.8 Ų53.828%0.28328%0.275SS..THydrogen-bonded Turntrans-75.7-9.4174.1-63.5172-72.5-179.31.1112.8L201 D202 E205 D231L201-R233 VanDerWaalsContact CB-CZ 3.45Å; L201-R233 HydrophobicContact CD1-CB 4.41Å; D202-R233 IonicContact OD1-CZ 3.71Å; D202-R233 IonicContact OD1-NH1 2.75Å; D202-R233 PolarHBondContact OD1-NH1 2.91Å; D202-R233 IonicContact OD1-NH2 2.77Å; E205-R233 IonicContact OE2-NH1 3.93Å; D231-R233 PolarHBondContact O-N 3.02Å; D231-R233 VanDerWaalsContact OD1-CB 3.27Å; D231-R233 WeakPolarHBondContact OD1-CB 3.17Å; D231-R233 WeakPolarHBondContact OD1-CG 3.22Å; D231-R233 IonicContact OD1-CZ 3.47Å; D231-R233 PolarHBondContact OD1-N 2.78Å; D231-R233 IonicContact OD1-NE 3.75Å; D231-R233 PolarHBondContact OD1-NE 3.41Å; D231-R233 IonicContact OD1-NH2 3.06Å; D231-R233 IonicContact OD2-CZ 3.72Å; D231-R233 IonicContact OD2-NE 3.58Å; D231-R233 IonicContact OD2-NH2 3.46Å; D231-R233 PolarHBondContact OD2-NH2 3.27Å
234T98.1Very high97Very high16 Ų1654.3 Ų54.310%0.09828%0.275CS..  trans-117.8152.8-176.775.90000113.2L201 I212 F214 I228 D231 P232L201-T234 HydrophobicContact CD1-CG2 3.9Å; L201-T234 HydrophobicContact CD2-CG2 3.79Å; I212-T234 HydrophobicContact CG2-CG2 4.29Å; I212-T234 CarbonylContact O-C 3.48Å; I212-T234 WeakPolarHBondContact O-CA 3.41Å; F214-T234 HydrophobicContact CB-CG2 4.31Å; I228-T234 HydrophobicContact CG1-CG2 4.17Å; I228-T234 PolarHBondContact O-OG1 3.33Å; D231-T234 PolarHBondContact O-N 2.93Å; D231-T234 PolarHBondContact O-OG1 3.1Å; D231-T234 VanDerWaalsContact O-OG1 3.06Å; P232-T234 PolarHBondContact O-N 3.06Å
235I98.4Very high97.4Very high69 Ų6951 Ų5135%0.35426%0.257SS..EExtended strand (participates in β ladder)trans-104.999.2165.5-52.7173.2000106.3A211 I212 Y213 F214 F237A211-I235 HydrophobicContact CB-CD1 4.18Å; I212-I235 PolarHBondContact O-N 3.32Å; Y213-I235 WeakPolarHBondContact CA-O 3.3Å; Y213-I235 HydrophobicContact CE1-CD1 4.33Å; Y213-I235 HydrophobicContact CE1-CG2 4.45Å; Y213-I235 HydrophobicContact CE2-CD1 4.01Å; F214-I235 PolarHBondContact N-O 3.03Å; I235-F237 HydrophobicContact CB-CE2 4.34Å; I235-F237 HydrophobicContact CG2-CE2 3.64Å; I235-F237 HydrophobicContact CG2-CZ 4.1Å; I235-F237 WeakPolarHBondContact O-CD2 3.37Å; I235-F237 WeakPolarHBondContact O-CE2 3.35Å
236G98Very high97.5Very high26 Ų2652 Ų5227%0.26826%0.263SS..EExtended strand (participates in β ladder)trans-81.1137.3-172.300000114.5F214F214-G236 CarbonylContact O-C 3.54Å; F214-G236 WeakPolarHBondContact O-CA 3.34Å
237F98.5Very high97.7Very high50 Ų5054 Ų5422%0.21927%0.27CS..EExtended strand (participates in β ladder)trans-126.6116.1173.4-67.4-95000110.2Y213 F214 F215 G216 I235 L248 L252Y213-F237 HydrophobicContact CD1-CD2 4.24Å; Y213-F237 AromaticContact CD1-CE2 3.36Å; Y213-F237 HydrophobicContact CD1-CE2 3.36Å; Y213-F237 AromaticContact CD1-CZ 3.93Å; Y213-F237 HydrophobicContact CD1-CZ 3.93Å; Y213-F237 AromaticContact CE1-CE2 3.93Å; Y213-F237 HydrophobicContact CE1-CE2 3.93Å; Y213-F237 HydrophobicContact CE1-CZ 4.08Å; Y213-F237 HydrophobicContact CG-CE2 4.33Å; F214-F237 PolarHBondContact O-N 3.43Å; F215-F237 WeakPolarHBondContact CA-O 3.37Å; F215-F237 HydrophobicContact CD1-CB 3.6Å; F215-F237 HydrophobicContact CD1-CD2 4.47Å; F215-F237 HydrophobicContact CD1-CG 4.15Å; F215-F237 HydrophobicContact CE1-CB 3.81Å; F215-F237 HydrophobicContact CE1-CD1 4.45Å; F215-F237 HydrophobicContact CE1-CD2 4.03Å; F215-F237 AromaticContact CE1-CG 3.83Å; F215-F237 HydrophobicContact CE1-CG 3.83Å; F215-F237 HydrophobicContact CG-CB 4.32Å; F215-F237 HydrophobicContact CZ-CD2 4.16Å; F215-F237 HydrophobicContact CZ-CG 4.41Å; G216-F237 PolarHBondContact N-O 3.08Å; I235-F237 HydrophobicContact CB-CE2 4.34Å; I235-F237 HydrophobicContact CG2-CE2 3.64Å; I235-F237 HydrophobicContact CG2-CZ 4.1Å; I235-F237 WeakPolarHBondContact O-CD2 3.37Å; I235-F237 WeakPolarHBondContact O-CE2 3.35Å; F237-L248 HydrophobicContact CB-CD1 4.33Å; F237-L248 HydrophobicContact CD1-CD1 4.32Å; F237-L252 HydrophobicContact CD1-CD1 4.46Å; F237-L252 HydrophobicContact CE1-CD1 3.9Å; F237-L252 HydrophobicContact CE1-CD2 4.39Å; F237-L252 HydrophobicContact CE2-CD1 4.27Å; F237-L252 HydrophobicContact CZ-CD1 3.79Å; F237-L252 HydrophobicContact CZ-CD2 4.22Å
238T98.5Very high97.8Very high46 Ų4652.3 Ų52.328%0.28226%0.262SS..EExtended strand (participates in β ladder)trans-74.6125.7170.7-52.30000109.4G216 T219 Y240G216-T238 WeakPolarHBondContact O-CA 3.36Å; T219-T238 WeakPolarHBondContact OG1-CB 3.33Å; T219-T238 WeakPolarHBondContact OG1-CG2 3.17Å; T219-T238 PolarHBondContact OG1-OG1 2.98Å; T238-Y240 HydrophobicContact CG2-CE1 4.01Å
239V98.1Very high97.8Very high0 Ų052.3 Ų52.30%026%0.262CS..  trans-117.4159.2174.7-640000111.3T22 F215 G216 N217 N244 L248T22-V239 HydrophobicContact CG2-CG2 3.91Å; F215-V239 HydrophobicContact CB-CG1 4.49Å; F215-V239 HydrophobicContact CD1-CG1 4.17Å; G216-V239 PolarHBondContact O-N 3.36Å; N217-V239 VanDerWaalsContact CA-O 3.29Å; N217-V239 WeakPolarHBondContact CA-O 3.36Å; N217-V239 HydrophobicContact CB-CG2 4.41Å; N217-V239 WeakPolarHBondContact CB-O 3.35Å; V239-N244 WeakPolarHBondContact CA-OD1 3.48Å; V239-L248 HydrophobicContact CG1-CD1 3.83Å
240Y95.9Very high97.7Very high185 Ų18556 Ų5673%0.72528%0.275SS*.SBendtrans-120.5-11.9-177-52.7-77.1000113.5T238 N244T238-Y240 HydrophobicContact CG2-CE1 4.01Å; Y240-N244 PolarHBondContact N-OD1 3.39Å
241S97.3Very high97.6Very high35 Ų3555.9 Ų55.925%0.24527%0.271CS..SBendtrans-164.9164.6176.482.50000110.4E243 N244 T245S241-E243 VanDerWaalsContact C-N 3.26Å; S241-E243 VanDerWaalsContact CB-OE2 3.24Å; S241-E243 WeakPolarHBondContact CB-OE2 3.38Å; S241-E243 PolarHBondContact O-N 3.26Å; S241-E243 PolarHBondContact OG-N 2.93Å; S241-E243 PolarHBondContact OG-OE2 2.96Å; S241-N244 WeakPolarHBondContact O-CB 3.1Å; S241-N244 PolarHBondContact O-N 3.49Å; S241-N244 VanDerWaalsContact O-N 3.09Å; S241-N244 PolarHBondContact OG-N 3.07Å; S241-T245 PolarHBondContact O-N 3.19Å; S241-T245 PolarHBondContact O-OG1 2.95Å
242P97.8Very high97.4Very high8 Ų856.8 Ų56.85%0.05228%0.276CS..Hα-helixtrans-56.9-36.5173.4-25.936.3000114.3T22 L23 L34 N244 T245 V246T22-P242 WeakPolarHBondContact O-CA 3.38Å; L23-P242 WeakPolarHBondContact O-CB 3.41Å; L34-P242 HydrophobicContact CD1-CB 3.44Å; L34-P242 VanDerWaalsContact CD1-CB 3.44Å; L34-P242 HydrophobicContact CD1-CG 4.41Å; P242-N244 VanDerWaalsContact C-N 3.33Å; P242-N244 PolarHBondContact O-N 3.04Å; P242-T245 WeakPolarHBondContact O-CB 3.49Å; P242-T245 PolarHBondContact O-N 3.11Å; P242-V246 WeakPolarHBondContact O-CG2 3.43Å; P242-V246 PolarHBondContact O-N 3.49Å
243E97.9Very high97.2Very high115 Ų11552 Ų5254%0.53724%0.243SC..Hα-helixtrans-67.6-36.8177-56.871.2-153.600111.4S241 V246 R247S241-E243 VanDerWaalsContact C-N 3.26Å; S241-E243 VanDerWaalsContact CB-OE2 3.24Å; S241-E243 WeakPolarHBondContact CB-OE2 3.38Å; S241-E243 PolarHBondContact O-N 3.26Å; S241-E243 PolarHBondContact OG-N 2.93Å; S241-E243 PolarHBondContact OG-OE2 2.96Å; E243-V246 PolarHBondContact O-N 3.44Å; E243-R247 WeakPolarHBondContact O-CB 3.36Å; E243-R247 PolarHBondContact O-N 2.92Å
244N97.8Very high96.8Very high27 Ų2751.6 Ų51.614%0.14424%0.243CC..Hα-helixtrans-65.7-40.4174.6-176.2-120000111.3V239 Y240 S241 P242 R247 L248V239-N244 WeakPolarHBondContact CA-OD1 3.48Å; Y240-N244 PolarHBondContact N-OD1 3.39Å; S241-N244 WeakPolarHBondContact O-CB 3.1Å; S241-N244 PolarHBondContact O-N 3.49Å; S241-N244 VanDerWaalsContact O-N 3.09Å; S241-N244 PolarHBondContact OG-N 3.07Å; P242-N244 VanDerWaalsContact C-N 3.33Å; P242-N244 PolarHBondContact O-N 3.04Å; N244-R247 PolarHBondContact ND2-NH2 3.36Å; N244-R247 PolarHBondContact O-N 2.9Å; N244-L248 PolarHBondContact O-N 2.74Å
245T98.4Very high96.3Very high0 Ų055.7 Ų55.70%026%0.264CS..Hα-helixtrans-57.1-50.9171.8-51.80000111.2F17 T22 F38 F215 S241 P242 R247 L248 C249F17-T245 HydrophobicContact CD1-CG2 3.78Å; F17-T245 HydrophobicContact CE1-CG2 3.72Å; T22-T245 HydrophobicContact CG2-CG2 4.49Å; T22-T245 WeakPolarHBondContact O-CB 3.44Å; T22-T245 PolarHBondContact O-OG1 3.21Å; F38-T245 HydrophobicContact CE1-CG2 4.19Å; F38-T245 HydrophobicContact CZ-CG2 4.15Å; F215-T245 HydrophobicContact CB-CG2 4.41Å; F215-T245 HydrophobicContact CD1-CG2 4.42Å; F215-T245 HydrophobicContact CG-CG2 4.48Å; S241-T245 PolarHBondContact O-N 3.19Å; S241-T245 PolarHBondContact O-OG1 2.95Å; P242-T245 WeakPolarHBondContact O-CB 3.49Å; P242-T245 PolarHBondContact O-N 3.11Å; T245-R247 VanDerWaalsContact C-N 3.32Å; T245-R247 PolarHBondContact O-N 3.5Å; T245-L248 PolarHBondContact O-N 3.34Å; T245-C249 PolarHBondContact O-N 3.31Å; T245-C249 PolarHBondContact O-SG 3.33Å; T245-C249 VanDerWaalsContact O-SG 3.37Å
246V97.9Very high94.4Very high19 Ų1955.4 Ų55.412%0.11527%0.268CS..Hα-helixtrans-58.4-43.5177.8167.60000111.8L34 F37 F38 P242 E243 C249 R250L34-V246 HydrophobicContact CD2-CG2 3.57Å; F37-V246 HydrophobicContact CD1-CB 4.11Å; F37-V246 HydrophobicContact CD1-CG1 3.84Å; F37-V246 HydrophobicContact CD1-CG2 3.56Å; F37-V246 HydrophobicContact CD2-CG1 3.83Å; F37-V246 HydrophobicContact CE1-CB 4.09Å; F37-V246 HydrophobicContact CE1-CG1 3.89Å; F37-V246 HydrophobicContact CE1-CG2 3.95Å; F37-V246 HydrophobicContact CE2-CG1 3.88Å; F37-V246 HydrophobicContact CG-CG1 3.8Å; F37-V246 HydrophobicContact CG-CG2 4.08Å; F37-V246 HydrophobicContact CZ-CB 4.48Å; F37-V246 HydrophobicContact CZ-CG1 3.9Å; F37-V246 WeakPolarHBondContact CZ-O 3.48Å; F38-V246 HydrophobicContact CE2-CG2 4.29Å; F38-V246 HydrophobicContact CZ-CG2 3.91Å; P242-V246 WeakPolarHBondContact O-CG2 3.43Å; P242-V246 PolarHBondContact O-N 3.49Å; E243-V246 PolarHBondContact O-N 3.44Å; V246-C249 PolarHBondContact O-N 2.74Å; V246-R250 WeakPolarHBondContact O-CB 3.43Å; V246-R250 PolarHBondContact O-N 3.02Å
247R97.9Very high91.9Very high123 Ų12359.1 Ų59.146%0.46429%0.29SS..Hα-helixtrans-58.8-49.7177.8-173.7-172.967.5101-3.8111.4E243 N244 T245 R250 E251E243-R247 WeakPolarHBondContact O-CB 3.36Å; E243-R247 PolarHBondContact O-N 2.92Å; N244-R247 PolarHBondContact ND2-NH2 3.36Å; N244-R247 PolarHBondContact O-N 2.9Å; T245-R247 VanDerWaalsContact C-N 3.32Å; T245-R247 PolarHBondContact O-N 3.5Å; R247-R250 WeakPolarHBondContact O-CB 3.06Å; R247-R250 PolarHBondContact O-N 3.32Å; R247-E251 WeakPolarHBondContact CG-OE1 3.41Å; R247-E251 IonicContact CZ-OE1 2.56Å; R247-E251 IonicContact NE-OE1 3.37Å; R247-E251 IonicContact NH1-OE1 2.69Å; R247-E251 PolarHBondContact NH1-OE1 3.19Å; R247-E251 IonicContact NH1-OE2 2.68Å; R247-E251 WeakPolarHBondContact O-CG 3.49Å; R247-E251 PolarHBondContact O-N 3.32Å
248L97.5Very high89.2Confident25 Ų2562.8 Ų62.813%0.13132%0.319CS..Hα-helixtrans-63.8-43.5179.1-68.4179.4000111.9F215 F237 V239 N244 T245 R250 E251 L252F215-L248 HydrophobicContact CE1-CB 4.18Å; F237-L248 HydrophobicContact CB-CD1 4.33Å; F237-L248 HydrophobicContact CD1-CD1 4.32Å; V239-L248 HydrophobicContact CG1-CD1 3.83Å; N244-L248 PolarHBondContact O-N 2.74Å; T245-L248 PolarHBondContact O-N 3.34Å; L248-R250 VanDerWaalsContact C-N 3.26Å; L248-R250 PolarHBondContact O-N 2.9Å; L248-E251 PolarHBondContact O-N 3.4Å; L248-L252 WeakPolarHBondContact O-CB 3.26Å; L248-L252 VanDerWaalsContact O-CG 3.26Å; L248-L252 WeakPolarHBondContact O-CG 3.2Å; L248-L252 PolarHBondContact O-N 3.02Å
249C97.5Very high86.4Confident0 Ų071.2 Ų71.20%035%0.345CS..Hα-helixtrans-61.1-36.2175.2-68.40000112.2F37 L41 T245 V246 F253F37-C249 HydrophobicContact CE1-CB 3.69Å; F37-C249 HydrophobicContact CZ-CB 3.7Å; L41-C249 HydrophobicContact CD2-CB 4.03Å; T245-C249 PolarHBondContact O-N 3.31Å; T245-C249 PolarHBondContact O-SG 3.33Å; T245-C249 VanDerWaalsContact O-SG 3.37Å; V246-C249 PolarHBondContact O-N 2.74Å; C249-F253 HydrophobicContact CB-CD2 4.47Å; C249-F253 WeakPolarHBondContact O-CB 3.42Å; C249-F253 WeakPolarHBondContact O-CD2 3.5Å; C249-F253 PolarHBondContact O-N 3.07Å
250R96.2Very high83.6Confident127 Ų12779.7 Ų79.748%0.47939%0.39SS..Hα-helixtrans-64.7-49.4176-169.8-176.6-69.7-113.6-2.3111.4F37 V246 R247 L248 L252 F253 F254 D255F37-R250 HydrophobicContact CE2-CB 4.37Å; F37-R250 HydrophobicContact CZ-CB 4.41Å; V246-R250 WeakPolarHBondContact O-CB 3.43Å; V246-R250 PolarHBondContact O-N 3.02Å; R247-R250 WeakPolarHBondContact O-CB 3.06Å; R247-R250 PolarHBondContact O-N 3.32Å; L248-R250 VanDerWaalsContact C-N 3.26Å; L248-R250 PolarHBondContact O-N 2.9Å; R250-L252 VanDerWaalsContact C-N 3.28Å; R250-L252 PolarHBondContact O-N 2.82Å; R250-F253 PolarHBondContact O-N 3.15Å; R250-F254 HydrophobicContact CG-CB 4.02Å; R250-F254 WeakPolarHBondContact O-CA 3.4Å; R250-F254 WeakPolarHBondContact O-CB 3.3Å; R250-F254 PolarHBondContact O-N 2.65Å; R250-D255 PolarHBondContact O-N 3.46Å
251E95.2Very high81.4Confident85 Ų8575.7 Ų75.740%0.39738%0.38SS..Hα-helixtrans-57.6-42178.2-71.4170.4-168.800111.5R247 L248 S256R247-E251 WeakPolarHBondContact CG-OE1 3.41Å; R247-E251 IonicContact CZ-OE1 2.56Å; R247-E251 IonicContact NE-OE1 3.37Å; R247-E251 IonicContact NH1-OE1 2.69Å; R247-E251 PolarHBondContact NH1-OE1 3.19Å; R247-E251 IonicContact NH1-OE2 2.68Å; R247-E251 WeakPolarHBondContact O-CG 3.49Å; R247-E251 PolarHBondContact O-N 3.32Å; L248-E251 PolarHBondContact O-N 3.4Å; E251-S256 PolarHBondContact O-OG 3.16Å; E251-S256 VanDerWaalsContact O-OG 3.13Å
252L93.5Very high78.7Confident35 Ų3578.2 Ų78.218%0.18340%0.403CS..Hα-helixtrans-77.5-36.6-176.8-70.3169.7000114.6Y213 F215 F237 L248 R250 S256 I261Y213-L252 HydrophobicContact CD1-CD1 4.17Å; Y213-L252 HydrophobicContact CE1-CD1 4.37Å; Y213-L252 HydrophobicContact CE1-CD2 4.47Å; F215-L252 HydrophobicContact CE1-CD1 4.26Å; F215-L252 HydrophobicContact CZ-CD1 3.96Å; F237-L252 HydrophobicContact CD1-CD1 4.46Å; F237-L252 HydrophobicContact CE1-CD1 3.9Å; F237-L252 HydrophobicContact CE1-CD2 4.39Å; F237-L252 HydrophobicContact CE2-CD1 4.27Å; F237-L252 HydrophobicContact CZ-CD1 3.79Å; F237-L252 HydrophobicContact CZ-CD2 4.22Å; L248-L252 WeakPolarHBondContact O-CB 3.26Å; L248-L252 VanDerWaalsContact O-CG 3.26Å; L248-L252 WeakPolarHBondContact O-CG 3.2Å; L248-L252 PolarHBondContact O-N 3.02Å; R250-L252 VanDerWaalsContact C-N 3.28Å; R250-L252 PolarHBondContact O-N 2.82Å; L252-S256 PolarHBondContact O-OG 3.22Å; L252-I261 HydrophobicContact CD2-CD1 4.46Å
253F93.5Very high76Confident27 Ų2784.8 Ų84.812%0.11844%0.436CS..Hα-helixtrans-123.2-8.8-166.4-57.1-69.8000114.4I13 C15 L41 K44 V45 Y213 C249 R250I13-F253 HydrophobicContact CG2-CE1 4.14Å; I13-F253 HydrophobicContact CG2-CZ 4.39Å; C15-F253 WeakPolarHBondContact SG-CE2 3.37Å; C15-F253 WeakPolarHBondContact SG-CZ 3.17Å; L41-F253 HydrophobicContact CD1-CB 3.84Å; L41-F253 HydrophobicContact CD1-CD2 3.66Å; L41-F253 HydrophobicContact CD1-CG 3.9Å; K44-F253 WeakPolarHBondContact CD-O 3.41Å; K44-F253 WeakPolarHBondContact CE-O 3.07Å; K44-F253 PolarHBondContact NZ-O 2.97Å; V45-F253 HydrophobicContact CG1-CD1 3.79Å; V45-F253 HydrophobicContact CG1-CE1 3.87Å; V45-F253 HydrophobicContact CG1-CG 4.46Å; Y213-F253 HydrophobicContact CD1-CZ 4.03Å; Y213-F253 HydrophobicContact CD2-CZ 4.22Å; Y213-F253 HydrophobicContact CE1-CZ 4.23Å; Y213-F253 HydrophobicContact CE2-CZ 4.38Å; Y213-F253 HydrophobicContact CG-CZ 4.07Å; C249-F253 HydrophobicContact CB-CD2 4.47Å; C249-F253 WeakPolarHBondContact O-CB 3.42Å; C249-F253 WeakPolarHBondContact O-CD2 3.5Å; C249-F253 PolarHBondContact O-N 3.07Å; R250-F253 PolarHBondContact O-N 3.15Å
254F89.8Confident73.2Confident66 Ų6684.9 Ų84.929%0.28945%0.447SS..THydrogen-bonded Turntrans-122.4-38.5-177.9-66.1-95.8000113.7F37 L41 K44 R250F37-F254 HydrophobicContact CE2-CD2 4.39Å; F37-F254 HydrophobicContact CE2-CE2 4.01Å; F37-F254 HydrophobicContact CZ-CD2 4.44Å; F37-F254 HydrophobicContact CZ-CE2 4.01Å; L41-F254 HydrophobicContact CB-CE2 4.24Å; L41-F254 HydrophobicContact CB-CZ 4.36Å; L41-F254 HydrophobicContact CD1-CE2 3.8Å; L41-F254 HydrophobicContact CD1-CZ 4.49Å; K44-F254 HydrophobicContact CD-CD1 4.15Å; K44-F254 HydrophobicContact CD-CE1 3.92Å; K44-F254 HydrophobicContact CD-CE2 4.48Å; K44-F254 HydrophobicContact CD-CZ 4.11Å; K44-F254 VanDerWaalsContact CE-CD1 3.49Å; K44-F254 VanDerWaalsContact CE-CE1 3.49Å; R250-F254 HydrophobicContact CG-CB 4.02Å; R250-F254 WeakPolarHBondContact O-CA 3.4Å; R250-F254 WeakPolarHBondContact O-CB 3.3Å; R250-F254 PolarHBondContact O-N 2.65Å
255D85.9Confident70.3Confident102 Ų10288.8 Ų88.855%0.54548%0.476SS..SBendtrans-89-10.7-174.4-61.1-19.6000112.8R250 S257R250-D255 PolarHBondContact O-N 3.46Å; D255-S257 PolarHBondContact O-N 2.98Å; D255-S257 VanDerWaalsContact O-N 3.15Å
256S59.8Low67.4Low63 Ų6392.8 Ų92.844%0.44151%0.51SS..  trans-75.2105179.5-34.20000111.6E251 L252E251-S256 PolarHBondContact O-OG 3.16Å; E251-S256 VanDerWaalsContact O-OG 3.13Å; L252-S256 PolarHBondContact O-OG 3.22Å
257S45.5Very low64.4Low104 Ų104101.8 Ų101.873%0.72755%0.547SS*.  trans-59150.7151.7-149.10000108.9D255 R259D255-S257 PolarHBondContact O-N 2.98Å; D255-S257 VanDerWaalsContact O-N 3.15Å; S257-R259 PolarHBondContact O-N 3.42Å
258P41.8Very low61.4Low126 Ų126101.9 Ų101.982%0.81856%0.562SS**SBendtrans-68.795.3-160.529.1-33.3000111.5
259R39.8Very low58.3Low223 Ų223106 Ų10684%0.84259%0.59SS**  trans-127.3115.8155.7-71.5-171.4-175.9-166.91.9106.2S257 I261S257-R259 PolarHBondContact O-N 3.42Å; R259-I261 PolarHBondContact O-N 3.35Å
260L39.5Very low55.3Low179 Ų179111.8 Ų111.894%0.93763%0.627SS**  trans-43.8117.6166.9-81.1113.5000108.4A262L260-A262 PolarHBondContact O-N 3.35Å
261I48.1Very low52.2Low100 Ų100114.6 Ų114.651%0.51365%0.646SS.*  trans-64.8107.4168.8-61.8172000105.1L252 R259 I263L252-I261 HydrophobicContact CD2-CD1 4.46Å; R259-I261 PolarHBondContact O-N 3.35Å; I261-I263 PolarHBondContact O-N 3.46Å
262A40.3Very low49.3Very low88 Ų88118.8 Ų118.873%0.72767%0.67SS**  trans-64.3122.4174.200000108.5L260L260-A262 PolarHBondContact O-N 3.35Å
263I42.3Very low46.3Very low146 Ų146123.4 Ų123.475%0.74970%0.695SS**  trans-59.9127.6171.8-57.6168.4000107.6I261 S265I261-I263 PolarHBondContact O-N 3.46Å; I263-S265 PolarHBondContact O-N 3.23Å; I263-S265 VanDerWaalsContact O-N 3.12Å
264P38.3Very low43.5Very low117 Ų117127.2 Ų127.276%0.7673%0.725SS**  trans-64.5115.8171.1-13.827.5000108.7A266P264-A266 PolarHBondContact O-N 3.22Å
265S36.6Very low40.8Very low109 Ų109127.8 Ų127.876%0.76274%0.737SS**  trans-50.4137.5171.5169.10000110.7I263 K267I263-S265 PolarHBondContact O-N 3.23Å; I263-S265 VanDerWaalsContact O-N 3.12Å; S265-K267 PolarHBondContact O-N 3.32Å
266A38.2Very low38.2Very low85 Ų85134.6 Ų134.670%0.70276%0.755SS**  trans-44.2133.6171.500000111.3P264 T268P264-A266 PolarHBondContact O-N 3.22Å; A266-T268 PolarHBondContact O-N 2.91Å; A266-T268 VanDerWaalsContact O-N 3.09Å
267K35.6Very low36.8Very low207 Ų207139.1 Ų139.190%0.977%0.774SS**  trans-59.6110.1174.4-71.8175.8177.3173.50109.3S265S265-K267 PolarHBondContact O-N 3.32Å
268T34.7Very low36.1Very low126 Ų126141.8 Ų141.877%0.77378%0.779SS**PPolyproline II helixtrans-69.4143.3155.8200000109.1A266A266-T268 PolarHBondContact O-N 2.91Å; A266-T268 VanDerWaalsContact O-N 3.09Å
269P32.6Very low35.5Very low111 Ų111144.2 Ų144.272%0.72178%0.779SS**PPolyproline II helixtrans-68145.9176.8-6.121.7000109.9E271P269-E271 PolarHBondContact O-N 2.6Å
270P34.4Very low34.9Very low121 Ų121140.2 Ų140.279%0.78678%0.784SS**PPolyproline II helixtrans-69122.3176.826.6-30.2000110.2
271E31.4Very low34.6Very low187 Ų187142.8 Ų142.887%0.87478%0.781SS**PPolyproline II helixtrans-62.3132161.5-76.2-178.215300109.1P269 D273P269-E271 PolarHBondContact O-N 2.6Å; E271-D273 PolarHBondContact O-N 3Å; E271-D273 VanDerWaalsContact O-N 3.15Å
272L34Very low33.7Very low172 Ų172144.7 Ų144.790%0.90179%0.792SS**  trans-65.7105.8167.1-98.781000108.5
273D30Very low33.2Very low132 Ų132146.7 Ų146.771%0.70679%0.789SS**  trans-100.199.2157.2-169.1-5.5000109.5E271 S275E271-D273 PolarHBondContact O-N 3Å; E271-D273 VanDerWaalsContact O-N 3.15Å; D273-S275 VanDerWaalsContact C-N 3.27Å; D273-S275 PolarHBondContact O-N 3.03Å; D273-S275 VanDerWaalsContact O-N 3.15Å; D273-S275 PolarHBondContact OD1-N 2.94Å; D273-S275 PolarHBondContact OD1-OG 2.76Å
274S34.3Very low32.7Very low108 Ų108147.8 Ų147.876%0.75579%0.793SS**  trans-80.964173.358.60000110.9
275S32.8Very low32.5Very low77 Ų77149.1 Ų149.154%0.53879%0.794SS.*  trans-170.996.7166.1230000113.7D273D273-S275 VanDerWaalsContact C-N 3.27Å; D273-S275 PolarHBondContact O-N 3.03Å; D273-S275 VanDerWaalsContact O-N 3.15Å; D273-S275 PolarHBondContact OD1-N 2.94Å; D273-S275 PolarHBondContact OD1-OG 2.76Å
276R31.1Very low32.8Very low246 Ų246154 Ų15493%0.92883%0.826SS**  trans179.996.7132.7-95.1155.7-158.5-153.87.2110.2
277N30.8Very low32.5Very low158 Ų158157.5 Ų157.585%0.84583%0.832SS**  trans-51.8137.1147.4-78.4-42.8000109.1
278I31.1Very low32.4Very low159 Ų159154.8 Ų154.882%0.81583%0.828SS**  trans-165.2122.7130.6-88.2142.2000108.2
279E30.1Very low32.3Very low177 Ų177156.4 Ų156.483%0.82783%0.832SS**  trans-4.9133.6160.7-70.3169.7130.900119.9
280C27.4Very low32.2Very low139 Ų139159.1 Ų159.194%0.93984%0.838SS**  -160105.2113.7-112.90000110.8
281R31.6Very low32.1Very low233 Ų233161.5 Ų161.588%0.87984%0.841SS**  trans-97.6133.4167.1-139.1-178.4-166.8-1703.4106.4
282L30.1Very low32.1Very low141 Ų141159.8 Ų159.874%0.73884%0.839SS**  trans142.9120.8137.6-76.9152.7000113.8
283L30.5Very low32Very low129 Ų129158.9 Ų158.968%0.67584%0.835SS**  trans68.2135.6135.6-56.9170000117.6
284M30.2Very low32.2Very low169 Ų169161 Ų16183%0.83385%0.845SS**  cis-153132.839.7-75.7-170.4-170.200110.7
285N35.1Very low32Very low146 Ų146165.4 Ų165.478%0.78185%0.852SS**  55.697.995.3-77.2-0.6000116.3
286C43.1Very low31.9Very low211 Ų211173.5 Ų173.5100%1.42688%0.881SS**  -164.20115.9-100.50000108.9

Retrieved 286 of 286 residues in 764.1 ms (Link to these results)

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