A0A087X9H3_POEFO Loading...

Exonuclease 1

5'->3' double-stranded DNA exonuclease which may also contain a cryptic 3'->5' double-stranded DNA exonuclease activity. Also exhibits endonuclease activity against 5'-overhanging flap structures similar to those generated by displacement synthesis when DNA polymerase encounters the 5'-end of a downstream Okazaki fragment. Required for DNA mismatch repair (MMR). 5'->3' double-stranded DNA exonuclease which may also possess a cryptic 3'->5' double-stranded DNA exonuclease activity. Functions in DNA mismatch repair.

AlphaFold DB , UniProt , Accession A0A087X9H3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 769 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
1M49.8Very low85.5Confident119 Ų11955.8 Ų55.859%0.58631%0.314SS*.  0-132.60-72.9162.6-7500105.7D171M1-D171 PolarHBondContact N-OD1 3.32Å; M1-D171 PolarHBondContact N-OD2 3.46Å
2G75.8Confident86Confident11 Ų1156.8 Ų56.811%0.11332%0.318CS..  trans63.9-144.816000000117.7S4 D173 D225G2-S4 PolarHBondContact O-N 3.18Å; G2-D173 WeakPolarHBondContact CA-OD1 3.24Å; G2-D173 WeakPolarHBondContact CA-OD2 3.38Å; G2-D225 PolarHBondContact N-OD1 2.97Å
3I87.7Confident86.4Confident2 Ų252.5 Ų52.51%0.0129%0.294CS..SBendtrans-68.299.6-164.4-56.2143.8000111.2G5 L6 D173 A176 C219 A222 C224 L235I3-G5 PolarHBondContact O-N 3.49Å; I3-G5 VanDerWaalsContact O-N 3.15Å; I3-L6 HydrophobicContact CB-CB 4.23Å; I3-L6 HydrophobicContact CB-CD2 4.1Å; I3-L6 HydrophobicContact CD1-CD2 3.85Å; I3-L6 HydrophobicContact CG2-CB 4.03Å; I3-L6 HydrophobicContact CG2-CD2 4.15Å; I3-L6 WeakPolarHBondContact O-CB 3.4Å; I3-L6 PolarHBondContact O-N 2.8Å; I3-D173 HydrophobicContact CD1-CB 4.03Å; I3-D173 VanDerWaalsContact CD1-CG 3.44Å; I3-D173 WeakPolarHBondContact CD1-OD1 3.42Å; I3-D173 WeakPolarHBondContact CG1-OD2 3.43Å; I3-D173 PolarHBondContact N-OD1 2.97Å; I3-D173 PolarHBondContact N-OD2 2.65Å; I3-A176 HydrophobicContact CD1-CB 4.12Å; I3-C219 HydrophobicContact CD1-CB 3.56Å; I3-C219 HydrophobicContact CG1-CB 4.12Å; I3-A222 HydrophobicContact CG2-CB 4.42Å; I3-C224 HydrophobicContact CG1-CB 4.15Å; I3-L235 HydrophobicContact CG2-CD2 3.96Å; I3-L235 HydrophobicContact CG2-CG 4.49Å
4S88.3Confident86.9Confident106 Ų10650.1 Ų50.174%0.74128%0.284SS*.THydrogen-bonded Turntrans-62.7116.1-168.1-73.90000113.2G2G2-S4 PolarHBondContact O-N 3.18Å
5G90.4Very high87.5Confident48 Ų4851.4 Ų51.450%0.49529%0.287SS..THydrogen-bonded Turntrans89.63.2176.800000115.8I3 L7 Q8 F9I3-G5 PolarHBondContact O-N 3.49Å; I3-G5 VanDerWaalsContact O-N 3.15Å; G5-L7 PolarHBondContact O-N 3.3Å; G5-Q8 WeakPolarHBondContact O-CB 3.48Å; G5-Q8 PolarHBondContact O-N 3.43Å; G5-F9 PolarHBondContact O-N 3.13Å; G5-F9 VanDerWaalsContact O-N 3.09Å
6L92.2Very high88Confident1 Ų156 Ų561%0.00532%0.32CS..Hα-helixtrans-56.4-47.1-173.6-174.356.4000113.5I3 Q8 F9 L10 F215 M218 L235I3-L6 HydrophobicContact CB-CB 4.23Å; I3-L6 HydrophobicContact CB-CD2 4.1Å; I3-L6 HydrophobicContact CD1-CD2 3.85Å; I3-L6 HydrophobicContact CG2-CB 4.03Å; I3-L6 HydrophobicContact CG2-CD2 4.15Å; I3-L6 WeakPolarHBondContact O-CB 3.4Å; I3-L6 PolarHBondContact O-N 2.8Å; L6-Q8 VanDerWaalsContact C-N 3.27Å; L6-Q8 PolarHBondContact O-N 3.21Å; L6-F9 WeakPolarHBondContact O-CA 3.49Å; L6-F9 WeakPolarHBondContact O-CB 3.4Å; L6-F9 PolarHBondContact O-N 3.32Å; L6-L10 HydrophobicContact CD1-CD1 3.76Å; L6-L10 HydrophobicContact CD1-CG 3.97Å; L6-L10 HydrophobicContact CG-CD1 3.88Å; L6-L10 HydrophobicContact CG-CG 4.4Å; L6-L10 WeakPolarHBondContact O-CG 3.34Å; L6-L10 PolarHBondContact O-N 3.43Å; L6-F215 HydrophobicContact CD1-CE2 4.37Å; L6-F215 HydrophobicContact CD1-CZ 4.09Å; L6-F215 HydrophobicContact CD2-CZ 4.18Å; L6-M218 HydrophobicContact CD1-CE 4.19Å; L6-L235 HydrophobicContact CB-CD1 4.24Å; L6-L235 HydrophobicContact CD1-CD1 4.27Å; L6-L235 HydrophobicContact CD1-CD2 3.91Å
7L91.1Very high88.6Confident37 Ų3754.1 Ų54.119%0.19431%0.309CS..Hα-helixtrans-57.3-37175.9176.358.1000113.1G5 F9 L10 K11 L184 K185 I195G5-L7 PolarHBondContact O-N 3.3Å; L7-F9 VanDerWaalsContact C-N 3.34Å; L7-L10 PolarHBondContact O-N 2.93Å; L7-K11 PolarHBondContact O-N 3.07Å; L7-L184 HydrophobicContact CD1-CD1 3.87Å; L7-L184 HydrophobicContact CD2-CD1 4.3Å; L7-K185 HydrophobicContact CD2-CD 4.14Å; L7-K185 VanDerWaalsContact CD2-CE 3.48Å; L7-I195 HydrophobicContact CD1-CD1 3.84Å
8Q91.9Very high89.1Confident140 Ų14053.2 Ų53.265%0.65430%0.303SS*.Hα-helixtrans-74.1-27.3178.3-173.558.647.600112.2G5 L6G5-Q8 WeakPolarHBondContact O-CB 3.48Å; G5-Q8 PolarHBondContact O-N 3.43Å; L6-Q8 VanDerWaalsContact C-N 3.27Å; L6-Q8 PolarHBondContact O-N 3.21Å
9F91.6Very high89.5Confident42 Ų4250.4 Ų50.418%0.18429%0.287CS..Hα-helixtrans-77.3-27.6174.2-169.1-100.7000112.7G5 L6 L7 S205 L206 M218 L235 C239G5-F9 PolarHBondContact O-N 3.13Å; G5-F9 VanDerWaalsContact O-N 3.09Å; L6-F9 WeakPolarHBondContact O-CA 3.49Å; L6-F9 WeakPolarHBondContact O-CB 3.4Å; L6-F9 PolarHBondContact O-N 3.32Å; L7-F9 VanDerWaalsContact C-N 3.34Å; F9-S205 PolarHBondContact O-OG 3.02Å; F9-L206 HydrophobicContact CE1-CD2 3.88Å; F9-L206 HydrophobicContact CE1-CG 4.3Å; F9-M218 HydrophobicContact CE1-CE 4.44Å; F9-M218 HydrophobicContact CE1-SD 3.9Å; F9-L235 HydrophobicContact CB-CD1 3.97Å; F9-L235 HydrophobicContact CD2-CB 4.17Å; F9-L235 HydrophobicContact CE2-CB 4.37Å; F9-L235 HydrophobicContact CG-CB 4.28Å; F9-L235 HydrophobicContact CG-CD1 4.31Å; F9-C239 HydrophobicContact CZ-CB 3.96Å
10L90.6Very high89.8Confident0 Ų053.7 Ų53.70%030%0.298CS..SBendtrans-99.88.9-178.6-61.6-178000115.1L6 L7 D12 A13 A14 L175 I195 L200 C203 L206 F215L6-L10 HydrophobicContact CD1-CD1 3.76Å; L6-L10 HydrophobicContact CD1-CG 3.97Å; L6-L10 HydrophobicContact CG-CD1 3.88Å; L6-L10 HydrophobicContact CG-CG 4.4Å; L6-L10 WeakPolarHBondContact O-CG 3.34Å; L6-L10 PolarHBondContact O-N 3.43Å; L7-L10 PolarHBondContact O-N 2.93Å; L10-D12 PolarHBondContact O-N 3.43Å; L10-A13 PolarHBondContact O-N 3Å; L10-A14 PolarHBondContact O-N 3.4Å; L10-L175 HydrophobicContact CD1-CD1 3.78Å; L10-I195 HydrophobicContact CB-CD1 4.37Å; L10-L200 HydrophobicContact CD1-CD2 3.92Å; L10-L200 HydrophobicContact CD2-CD2 4.07Å; L10-L200 HydrophobicContact CG-CD2 4.5Å; L10-C203 PolarHBondContact O-SG 2.88Å; L10-L206 HydrophobicContact CD2-CD1 3.85Å; L10-L206 HydrophobicContact CD2-CG 4.32Å; L10-F215 HydrophobicContact CD1-CE2 3.98Å; L10-F215 HydrophobicContact CD1-CZ 3.89Å; L10-F215 HydrophobicContact CD2-CE2 4.18Å
11K91.3Very high90.1Very high108 Ų10856.3 Ų56.347%0.4731%0.307SS..THydrogen-bonded Turntrans-49.5-25.1-176.361.9164.9-176.760.80116.4L7L7-K11 PolarHBondContact O-N 3.07Å
12D91.1Very high92.3Very high68 Ų6851.1 Ų51.136%0.36428%0.281SS..THydrogen-bonded Turntrans-87.5-14.7-175.9-57.5-44.8000112.9L10 R202L10-D12 PolarHBondContact O-N 3.43Å; D12-R202 WeakPolarHBondContact O-CB 3.44Å; D12-R202 PolarHBondContact O-NE 2.75Å
13A91.5Very high93.3Very high0 Ų057.5 Ų57.50%031%0.305CS..THydrogen-bonded Turntrans-97.7-4.817000000112.8L10 N199 L200 C203L10-A13 PolarHBondContact O-N 3Å; A13-N199 HydrophobicContact CB-CB 4.31Å; A13-N199 WeakPolarHBondContact CB-O 3.28Å; A13-L200 HydrophobicContact CB-CD2 4.4Å; A13-C203 VanDerWaalsContact CB-SG 3.52Å; A13-C203 PolarHBondContact N-SG 3.16Å; A13-C203 VanDerWaalsContact N-SG 3.4Å
14A94Very high93.6Very high19 Ų1960.8 Ų60.816%0.15734%0.34CS..EExtended strand (participates in β ladder)trans-92.8133.1-175.400000111.5L10 I193 E194 I195L10-A14 PolarHBondContact O-N 3.4Å; A14-I193 HydrophobicContact CB-CG2 3.72Å; A14-E194 CarbonylContact C-O 3.58Å; A14-E194 WeakPolarHBondContact CA-O 3.45Å; A14-I195 HydrophobicContact CB-CD1 4.3Å; A14-I195 HydrophobicContact CB-CG1 3.91Å
15E95.1Very high93.9Very high70 Ų7059.1 Ų59.133%0.32732%0.32SS..EExtended strand (participates in β ladder)trans-127.2128.1-172-54-155.3115.300111.7V17 E194 N199 R202E15-V17 PolarHBondContact O-N 3.43Å; E15-E194 PolarHBondContact N-O 3.07Å; E15-E194 PolarHBondContact O-N 3Å; E15-N199 PolarHBondContact OE2-ND2 3.35Å; E15-R202 IonicContact OE1-CZ 2.63Å; E15-R202 IonicContact OE1-NH1 3.8Å; E15-R202 PolarHBondContact OE1-NH1 3.09Å; E15-R202 IonicContact OE1-NH2 3.44Å; E15-R202 PolarHBondContact OE1-NH2 3.41Å; E15-R202 IonicContact OE2-NH1 3.92Å
16P96.6Very high94.2Very high125 Ų12557.7 Ų57.781%0.81230%0.302SS*.EExtended strand (participates in β ladder)trans-62.7127173-21.633.6000111.2
17V97.1Very high94.4Very high23 Ų2357.7 Ų57.714%0.13930%0.302CS..EExtended strand (participates in β ladder)trans-133.3159.3-175.977.30000111.2E15 K21 I183 N191 G192 E194E15-V17 PolarHBondContact O-N 3.43Å; V17-K21 HydrophobicContact CG2-CB 4.14Å; V17-K21 HydrophobicContact CG2-CD 3.65Å; V17-I183 HydrophobicContact CG1-CG2 4.25Å; V17-N191 CarbonylContact O-C 3.5Å; V17-N191 WeakPolarHBondContact O-CA 3.4Å; V17-G192 PolarHBondContact N-O 3.19Å; V17-G192 PolarHBondContact O-N 2.99Å; V17-E194 HydrophobicContact CB-CB 4.17Å; V17-E194 HydrophobicContact CG1-CB 3.93Å
18N97.4Very high94.8Very high38 Ų3856 Ų5620%0.20329%0.293CS..EExtended strand (participates in β ladder)trans-118.2136159.5-176-77.2000109.6K20 K21 Q189 G190 N191N18-K20 PolarHBondContact O-N 2.89Å; N18-K20 WeakPolarHBondContact OD1-CB 3.19Å; N18-K20 WeakPolarHBondContact OD1-CD 3.37Å; N18-K20 WeakPolarHBondContact OD1-CG 3.42Å; N18-K20 PolarHBondContact OD1-N 2.83Å; N18-K20 VanDerWaalsContact OD1-N 3.12Å; N18-K21 WeakPolarHBondContact O-CB 3.27Å; N18-K21 PolarHBondContact O-N 3.04Å; N18-Q189 PolarHBondContact ND2-O 3.35Å; N18-G190 CarbonylContact C-O 3.58Å; N18-G190 VanDerWaalsContact CA-O 3.24Å; N18-G190 WeakPolarHBondContact CA-O 3.34Å; N18-G190 VanDerWaalsContact ND2-C 3.32Å; N18-G190 PolarHBondContact ND2-O 2.98Å; N18-N191 PolarHBondContact ND2-OD1 3.04Å
19V96.4Very high95.1Very high1 Ų149.3 Ų49.31%0.00626%0.262CS..G310 helixtrans-60.9-11.4-173.5-61.10000114.9K21 Y22 M65 L66 F69 I183 M186 G190V19-K21 PolarHBondContact O-N 2.91Å; V19-K21 VanDerWaalsContact O-N 3.07Å; V19-Y22 WeakPolarHBondContact O-CB 3.47Å; V19-Y22 PolarHBondContact O-N 2.93Å; V19-M65 HydrophobicContact CG2-CE 4.35Å; V19-M65 HydrophobicContact CG2-SD 3.82Å; V19-L66 HydrophobicContact CB-CD2 4.14Å; V19-L66 HydrophobicContact CG1-CD2 4.45Å; V19-L66 HydrophobicContact CG2-CD2 3.72Å; V19-F69 HydrophobicContact CG2-CD2 3.89Å; V19-F69 HydrophobicContact CG2-CE2 4.4Å; V19-I183 HydrophobicContact CG1-CD1 4.26Å; V19-M186 HydrophobicContact CG1-CG 4.32Å; V19-M186 HydrophobicContact CG1-SD 3.5Å; V19-M186 WeakPolarHBondContact CG1-SD 3.43Å; V19-G190 PolarHBondContact N-O 2.79Å
20K95.9Very high95.4Very high116 Ų11647.6 Ų47.650%0.50426%0.255SS..G310 helixtrans-52.3-22.7164.2-71.5167.7-172.1171.90113.8N18 Y22 K23 F69N18-K20 PolarHBondContact O-N 2.89Å; N18-K20 WeakPolarHBondContact OD1-CB 3.19Å; N18-K20 WeakPolarHBondContact OD1-CD 3.37Å; N18-K20 WeakPolarHBondContact OD1-CG 3.42Å; N18-K20 PolarHBondContact OD1-N 2.83Å; N18-K20 VanDerWaalsContact OD1-N 3.12Å; K20-Y22 PolarHBondContact O-N 3.01Å; K20-K23 WeakPolarHBondContact O-CB 3.29Å; K20-K23 PolarHBondContact O-N 2.88Å; K20-K23 VanDerWaalsContact O-N 3.13Å; K20-F69 HydrophobicContact CD-CD1 4.41Å; K20-F69 HydrophobicContact CD-CE1 4.46Å; K20-F69 HydrophobicContact CG-CB 4.07Å; K20-F69 HydrophobicContact CG-CD1 4.01Å; K20-F69 HydrophobicContact CG-CD2 3.87Å; K20-F69 HydrophobicContact CG-CE1 4.46Å; K20-F69 HydrophobicContact CG-CE2 4.3Å; K20-F69 HydrophobicContact CG-CG 3.71Å
21K96.7Very high95.8Very high109 Ų10947.6 Ų47.647%0.47426%0.255SS..G310 helixtrans-51.6-32.9168177.1178.3172-179.40112.7V17 N18 V19 E194V17-K21 HydrophobicContact CG2-CB 4.14Å; V17-K21 HydrophobicContact CG2-CD 3.65Å; N18-K21 WeakPolarHBondContact O-CB 3.27Å; N18-K21 PolarHBondContact O-N 3.04Å; V19-K21 PolarHBondContact O-N 2.91Å; V19-K21 VanDerWaalsContact O-N 3.07Å; K21-E194 IonicContact NZ-OE1 2.77Å; K21-E194 PolarHBondContact NZ-OE1 3.18Å; K21-E194 IonicContact NZ-OE2 2.62Å; K21-E194 PolarHBondContact NZ-OE2 3.36Å
22Y96.4Very high96Very high10 Ų1043.8 Ų43.84%0.03924%0.238CC..G310 helixtrans-97.921.3-177.4-59.5-84.7000112.8V19 K20 G24 Q25 V27 Q165 A166 T181 I183 E194V19-Y22 WeakPolarHBondContact O-CB 3.47Å; V19-Y22 PolarHBondContact O-N 2.93Å; K20-Y22 PolarHBondContact O-N 3.01Å; Y22-G24 PolarHBondContact O-N 2.98Å; Y22-Q25 WeakPolarHBondContact O-CB 3.46Å; Y22-Q25 PolarHBondContact O-N 3.04Å; Y22-V27 HydrophobicContact CD1-CG2 4.09Å; Y22-V27 HydrophobicContact CG-CG2 3.85Å; Y22-Q165 HydrophobicContact CD1-CB 4.38Å; Y22-A166 HydrophobicContact CD1-CB 4.24Å; Y22-A166 HydrophobicContact CE1-CB 3.62Å; Y22-A166 HydrophobicContact CE2-CB 4.5Å; Y22-T181 WeakPolarHBondContact OH-CG2 3.24Å; Y22-I183 HydrophobicContact CD2-CD1 3.98Å; Y22-I183 HydrophobicContact CE2-CD1 3.56Å; Y22-I183 HydrophobicContact CE2-CG1 4.5Å; Y22-E194 PolarHBondContact OH-OE1 3.3Å; Y22-E194 PolarHBondContact OH-OE2 3.49Å
23K96.6Very high96.2Very high144 Ų14441.4 Ų41.463%0.62623%0.226SC*.THydrogen-bonded Turntrans-57127.4174.9-179.6177.8-178.6-173.20110.4K20 Q25 F69K20-K23 WeakPolarHBondContact O-CB 3.29Å; K20-K23 PolarHBondContact O-N 2.88Å; K20-K23 VanDerWaalsContact O-N 3.13Å; K23-Q25 PolarHBondContact O-N 2.81Å; K23-F69 WeakPolarHBondContact CG-O 3.35Å
24G93.2Very high96.4Very high72 Ų7241.6 Ų41.674%0.74223%0.226SC*.THydrogen-bonded Turntrans76.61.7-17600000114.6Y22 S70Y22-G24 PolarHBondContact O-N 2.98Å; G24-S70 PolarHBondContact N-O 3.2Å
25Q95.1Very high96.5Very high71 Ų7140.7 Ų40.733%0.33222%0.219SC..SBendtrans-107.5166.6178.6-58.3177.333.300110.9Y22 K23 K72 Q165Y22-Q25 WeakPolarHBondContact O-CB 3.46Å; Y22-Q25 PolarHBondContact O-N 3.04Å; K23-Q25 PolarHBondContact O-N 2.81Å; Q25-K72 PolarHBondContact O-N 2.95Å; Q25-Q165 HydrophobicContact CB-CB 4.48Å; Q25-Q165 HydrophobicContact CB-CG 4.32Å
26T96.3Very high96.5Very high18 Ų1840.2 Ų40.211%0.1122%0.217CC..EExtended strand (participates in β ladder)trans-102.4130.6179-56.10000110.1K72 I74 F163 A164 Q165T26-K72 CarbonylContact C-O 3.53Å; T26-K72 WeakPolarHBondContact CA-O 3.34Å; T26-K72 HydrophobicContact CG2-CB 4.44Å; T26-K72 HydrophobicContact CG2-CD 4.42Å; T26-K72 HydrophobicContact CG2-CG 4.25Å; T26-I74 HydrophobicContact CG2-CD1 3.45Å; T26-I74 VanDerWaalsContact CG2-CD1 3.45Å; T26-I74 HydrophobicContact CG2-CG1 3.66Å; T26-F163 WeakPolarHBondContact CB-O 3.04Å; T26-F163 VanDerWaalsContact CG2-O 3.29Å; T26-F163 WeakPolarHBondContact CG2-O 3.41Å; T26-A164 CarbonylContact O-C 3.51Å; T26-A164 WeakPolarHBondContact O-CA 3.37Å; T26-Q165 PolarHBondContact O-N 2.96Å; T26-Q165 PolarHBondContact O-OE1 2.86Å
27V97.6Very high96.4Very high1 Ų137 Ų371%0.00619%0.19CC..EExtended strand (participates in β ladder)trans-125.7126.2-178.3176.30000108.4Y22 V71 K72 P73 I74 A166 I168Y22-V27 HydrophobicContact CD1-CG2 4.09Å; Y22-V27 HydrophobicContact CG-CG2 3.85Å; V27-V71 HydrophobicContact CB-CG1 3.93Å; V27-V71 HydrophobicContact CG2-CG1 3.54Å; V27-K72 PolarHBondContact N-O 3.29Å; V27-P73 CarbonylContact O-C 3.57Å; V27-P73 WeakPolarHBondContact O-CA 3.45Å; V27-I74 PolarHBondContact O-N 2.94Å; V27-A166 WeakPolarHBondContact CA-O 3.46Å; V27-A166 WeakPolarHBondContact CG1-O 3.23Å; V27-I168 HydrophobicContact CG1-CD1 3.57Å; V27-I168 HydrophobicContact CG1-CG1 3.72Å
28A98.2Very high96.3Very high0 Ų035.9 Ų35.90%018%0.183CC..EExtended strand (participates in β ladder)trans-85.3149176.800000110.4I74 L155 L158 A164 A166 V167 I168A28-I74 CarbonylContact C-O 3.55Å; A28-I74 WeakPolarHBondContact CA-O 3.42Å; A28-I74 HydrophobicContact CB-CB 4.47Å; A28-L155 HydrophobicContact CB-CD2 3.5Å; A28-L155 VanDerWaalsContact CB-CD2 3.5Å; A28-L158 HydrophobicContact CB-CD1 4.33Å; A28-A164 HydrophobicContact CB-CB 3.76Å; A28-A166 PolarHBondContact N-O 3.11Å; A28-V167 CarbonylContact O-C 3.56Å; A28-V167 VanDerWaalsContact O-CA 3.31Å; A28-V167 WeakPolarHBondContact O-CA 3.43Å; A28-I168 PolarHBondContact O-N 3.05Å
29V98.4Very high96.2Very high0 Ų034.1 Ų34.10%017%0.174CC..EExtended strand (participates in β ladder)trans-128.7123.8-172.3178.70000109.7T31 W34 L66 P73 I74 L75 V76 I168V29-T31 PolarHBondContact O-N 3.03Å; V29-T31 VanDerWaalsContact O-N 3.15Å; V29-T31 PolarHBondContact O-OG1 3.38Å; V29-W34 HydrophobicContact CB-CH2 4.39Å; V29-W34 HydrophobicContact CG1-CD2 3.99Å; V29-W34 HydrophobicContact CG1-CE3 3.99Å; V29-W34 HydrophobicContact CG1-CH2 3.53Å; V29-W34 HydrophobicContact CG1-CZ2 3.51Å; V29-W34 HydrophobicContact CG1-CZ3 3.77Å; V29-W34 HydrophobicContact CG2-CH2 3.95Å; V29-W34 HydrophobicContact CG2-CZ2 4.29Å; V29-L66 HydrophobicContact CG2-CD1 4.25Å; V29-P73 HydrophobicContact CG2-CB 4.41Å; V29-I74 PolarHBondContact N-O 3.4Å; V29-L75 HydrophobicContact CB-CD2 3.82Å; V29-L75 HydrophobicContact CG1-CD2 3.98Å; V29-L75 HydrophobicContact CG2-CD2 4.11Å; V29-V76 WeakPolarHBondContact O-CB 3.5Å; V29-V76 PolarHBondContact O-N 3.45Å; V29-I168 HydrophobicContact CG2-CB 4.47Å; V29-I168 HydrophobicContact CG2-CD1 4.3Å
30D98Very high96.1Very high7 Ų739.6 Ų39.64%0.03720%0.198CC..EExtended strand (participates in β ladder)trans-65.9103.9157166.7-0.1000108.5Y32 C33 L155 I168 T169D30-Y32 WeakPolarHBondContact OD1-CA 3.32Å; D30-Y32 PolarHBondContact OD1-N 3.41Å; D30-C33 HydrophobicContact CB-CB 4.48Å; D30-C33 PolarHBondContact OD1-N 2.82Å; D30-C33 WeakPolarHBondContact OD2-CB 3.29Å; D30-C33 PolarHBondContact OD2-SG 2.94Å; D30-L155 HydrophobicContact CB-CD1 3.73Å; D30-I168 PolarHBondContact N-O 2.85Å; D30-T169 PolarHBondContact OD2-OG1 3.35Å
31T98Very high95.9Very high0 Ų037.6 Ų37.60%020%0.198CC..Hα-helixtrans-81.6-20.2-176.9-41.60000111.8V29 W34 L35 L75 V76 F77 L133V29-T31 PolarHBondContact O-N 3.03Å; V29-T31 VanDerWaalsContact O-N 3.15Å; V29-T31 PolarHBondContact O-OG1 3.38Å; T31-W34 PolarHBondContact O-N 3.29Å; T31-W34 VanDerWaalsContact O-N 3.17Å; T31-L35 HydrophobicContact CG2-CD1 4.44Å; T31-L35 HydrophobicContact CG2-CG 4.47Å; T31-L35 WeakPolarHBondContact O-CB 3.35Å; T31-L35 WeakPolarHBondContact O-CG 3.44Å; T31-L35 PolarHBondContact O-N 3.3Å; T31-L75 WeakPolarHBondContact OG1-CB 3.45Å; T31-V76 WeakPolarHBondContact CB-O 3.5Å; T31-V76 PolarHBondContact N-O 3.31Å; T31-V76 PolarHBondContact OG1-N 2.74Å; T31-V76 PolarHBondContact OG1-O 3.06Å; T31-F77 HydrophobicContact CG2-CD1 4.19Å; T31-F77 HydrophobicContact CG2-CE1 3.55Å; T31-F77 HydrophobicContact CG2-CE2 4.45Å; T31-F77 HydrophobicContact CG2-CZ 3.7Å; T31-L133 HydrophobicContact CG2-CD2 3.41Å; T31-L133 VanDerWaalsContact CG2-CD2 3.41Å; T31-L133 HydrophobicContact CG2-CG 4.46Å
32Y95.9Very high95.7Very high28 Ų2832.5 Ų32.511%0.1118%0.177CC..Hα-helixtrans-70.2-36.7178.1-95.1-117000111.3D30 W34 L35 H36 F77 D78 I125 A130D30-Y32 WeakPolarHBondContact OD1-CA 3.32Å; D30-Y32 PolarHBondContact OD1-N 3.41Å; Y32-W34 PolarHBondContact O-N 2.84Å; Y32-L35 HydrophobicContact CD2-CD1 4.08Å; Y32-L35 HydrophobicContact CE2-CD1 4.16Å; Y32-L35 PolarHBondContact O-N 2.95Å; Y32-H36 WeakPolarHBondContact O-CB 3.44Å; Y32-H36 PolarHBondContact O-CD2 3.42Å; Y32-H36 PolarHBondContact O-N 3.11Å; Y32-F77 HydrophobicContact CE2-CB 4.18Å; Y32-F77 HydrophobicContact CE2-CD1 4.25Å; Y32-D78 HydrophobicContact CD1-CB 4.4Å; Y32-D78 WeakPolarHBondContact CD1-OD2 3.36Å; Y32-D78 HydrophobicContact CD2-CB 4.22Å; Y32-D78 HydrophobicContact CE1-CB 4.16Å; Y32-D78 HydrophobicContact CE2-CB 3.98Å; Y32-D78 HydrophobicContact CG-CB 4.43Å; Y32-I125 HydrophobicContact CD1-CB 4.41Å; Y32-I125 HydrophobicContact CD1-CG2 4.21Å; Y32-I125 HydrophobicContact CE1-CB 4.04Å; Y32-I125 HydrophobicContact CE1-CG2 3.74Å; Y32-A130 HydrophobicContact CE2-CB 4.25Å
33C95Very high95.6Very high17 Ų1732.5 Ų32.512%0.11518%0.178CC..Hα-helixtrans-55.1-35.9168.1-94.80000113.3D30 K37 E170D30-C33 HydrophobicContact CB-CB 4.48Å; D30-C33 PolarHBondContact OD1-N 2.82Å; D30-C33 WeakPolarHBondContact OD2-CB 3.29Å; D30-C33 PolarHBondContact OD2-SG 2.94Å; C33-K37 WeakPolarHBondContact O-CD 3.22Å; C33-K37 VanDerWaalsContact O-CG 3.25Å; C33-K37 WeakPolarHBondContact O-CG 3.36Å; C33-E170 HydrophobicContact CB-CG 4.49Å; C33-E170 PolarHBondContact SG-N 3.09Å; C33-E170 VanDerWaalsContact SG-N 3.36Å
34W96.6Very high95.4Very high4 Ų428.1 Ų28.12%0.01516%0.16CC..Hα-helixtrans-81.9-39.9176.6-65.21.9000112.4V29 T31 Y32 K37 G38 C59 F62 V63 L66 L75 I168 M186V29-W34 HydrophobicContact CB-CH2 4.39Å; V29-W34 HydrophobicContact CG1-CD2 3.99Å; V29-W34 HydrophobicContact CG1-CE3 3.99Å; V29-W34 HydrophobicContact CG1-CH2 3.53Å; V29-W34 HydrophobicContact CG1-CZ2 3.51Å; V29-W34 HydrophobicContact CG1-CZ3 3.77Å; V29-W34 HydrophobicContact CG2-CH2 3.95Å; V29-W34 HydrophobicContact CG2-CZ2 4.29Å; T31-W34 PolarHBondContact O-N 3.29Å; T31-W34 VanDerWaalsContact O-N 3.17Å; Y32-W34 PolarHBondContact O-N 2.84Å; W34-K37 PolarHBondContact O-N 3.13Å; W34-G38 PolarHBondContact O-N 3.22Å; W34-C59 VanDerWaalsContact C-SG 3.55Å; W34-C59 HydrophobicContact CB-CB 4.45Å; W34-C59 HydrophobicContact CE3-CB 4.46Å; W34-F62 HydrophobicContact CD2-CB 3.98Å; W34-F62 HydrophobicContact CD2-CD2 4.48Å; W34-F62 HydrophobicContact CD2-CG 4.24Å; W34-F62 HydrophobicContact CE3-CB 3.68Å; W34-F62 HydrophobicContact CE3-CG 4.38Å; W34-F62 HydrophobicContact CH2-CB 3.44Å; W34-F62 VanDerWaalsContact CH2-CB 3.44Å; W34-F62 HydrophobicContact CH2-CG 4.43Å; W34-F62 HydrophobicContact CZ2-CB 3.74Å; W34-F62 HydrophobicContact CZ2-CD1 4.39Å; W34-F62 HydrophobicContact CZ2-CG 4.27Å; W34-F62 HydrophobicContact CZ3-CB 3.4Å; W34-F62 VanDerWaalsContact CZ3-CB 3.4Å; W34-F62 HydrophobicContact CZ3-CG 4.48Å; W34-V63 HydrophobicContact CZ3-CG2 4.06Å; W34-L66 HydrophobicContact CH2-CD1 3.89Å; W34-L75 HydrophobicContact CZ3-CD2 4.16Å; W34-I168 HydrophobicContact CZ2-CG2 4.07Å; W34-M186 HydrophobicContact CZ2-CE 3.72Å
35L96.9Very high95.5Very high0 Ų028.3 Ų28.30%014%0.14CC..Hα-helixtrans-60.3-45.5177-77.6167.1000111.6T31 Y32 G38 A39 Y55 F77 I125 A130 L133T31-L35 HydrophobicContact CG2-CD1 4.44Å; T31-L35 HydrophobicContact CG2-CG 4.47Å; T31-L35 WeakPolarHBondContact O-CB 3.35Å; T31-L35 WeakPolarHBondContact O-CG 3.44Å; T31-L35 PolarHBondContact O-N 3.3Å; Y32-L35 HydrophobicContact CD2-CD1 4.08Å; Y32-L35 HydrophobicContact CE2-CD1 4.16Å; Y32-L35 PolarHBondContact O-N 2.95Å; L35-G38 PolarHBondContact O-N 3.26Å; L35-A39 VanDerWaalsContact O-CB 3.23Å; L35-A39 WeakPolarHBondContact O-CB 3.32Å; L35-A39 PolarHBondContact O-N 2.92Å; L35-Y55 HydrophobicContact CD2-CD2 3.81Å; L35-F77 HydrophobicContact CD1-CD1 4.21Å; L35-F77 HydrophobicContact CD1-CE1 4.16Å; L35-I125 HydrophobicContact CB-CD1 4.18Å; L35-I125 HydrophobicContact CB-CG1 4.33Å; L35-I125 HydrophobicContact CB-CG2 4.03Å; L35-I125 HydrophobicContact CD1-CG2 3.95Å; L35-A130 HydrophobicContact CD1-CB 4.23Å; L35-L133 HydrophobicContact CD1-CD2 4.38Å; L35-L133 HydrophobicContact CD2-CB 4.4Å; L35-L133 HydrophobicContact CD2-CD2 3.69Å; L35-L133 HydrophobicContact CG-CD2 3.95Å
36H94.8Very high95.4Very high60 Ų6027.1 Ų27.128%0.27814%0.136SC..Hα-helixtrans-59.6-48.5174.4-86.7-75.1000112.1Y32 G38 A39 F40Y32-H36 WeakPolarHBondContact O-CB 3.44Å; Y32-H36 PolarHBondContact O-CD2 3.42Å; Y32-H36 PolarHBondContact O-N 3.11Å; H36-G38 VanDerWaalsContact C-N 3.31Å; H36-G38 PolarHBondContact O-N 3.38Å; H36-A39 PolarHBondContact O-N 3.19Å; H36-F40 VanDerWaalsContact O-CD2 3.24Å; H36-F40 WeakPolarHBondContact O-CD2 3.5Å; H36-F40 PolarHBondContact O-N 3.33Å
37K94.4Very high95.2Very high58 Ų5826.7 Ų26.725%0.25214%0.135SC..Hα-helixtrans-61.1-38.7177.2-73173.6-178.7177.60112.6C33 W34 Y58 E170C33-K37 WeakPolarHBondContact O-CD 3.22Å; C33-K37 VanDerWaalsContact O-CG 3.25Å; C33-K37 WeakPolarHBondContact O-CG 3.36Å; W34-K37 PolarHBondContact O-N 3.13Å; K37-Y58 HydrophobicContact CB-CE1 3.67Å; K37-Y58 WeakPolarHBondContact CB-OH 3.5Å; K37-E170 IonicContact NZ-OE1 2.74Å; K37-E170 PolarHBondContact NZ-OE1 3.45Å
38G95.2Very high94.8Very high0 Ų031 Ų310%015%0.153CC..Hα-helixtrans-69.8-43.4177.200000112.7W34 L35 H36 F40 S41 Y58W34-G38 PolarHBondContact O-N 3.22Å; L35-G38 PolarHBondContact O-N 3.26Å; H36-G38 VanDerWaalsContact C-N 3.31Å; H36-G38 PolarHBondContact O-N 3.38Å; G38-F40 VanDerWaalsContact C-N 3.27Å; G38-F40 PolarHBondContact O-N 3.06Å; G38-S41 WeakPolarHBondContact O-CB 3.25Å; G38-S41 PolarHBondContact O-N 2.94Å; G38-S41 PolarHBondContact O-OG 2.75Å; G38-Y58 VanDerWaalsContact CA-CG 3.41Å
39A95.5Very high94.5Very high0 Ų034.1 Ų34.10%019%0.186CC..Hα-helixtrans-62.9-28.9-17800000113.4L35 H36 S41 C42 A43 L46 V123 I125 M129L35-A39 VanDerWaalsContact O-CB 3.23Å; L35-A39 WeakPolarHBondContact O-CB 3.32Å; L35-A39 PolarHBondContact O-N 2.92Å; H36-A39 PolarHBondContact O-N 3.19Å; A39-S41 PolarHBondContact O-N 3.43Å; A39-C42 CarbonylContact O-C 3.52Å; A39-C42 PolarHBondContact O-N 2.65Å; A39-C42 VanDerWaalsContact O-N 3.07Å; A39-C42 PolarHBondContact O-SG 3.03Å; A39-A43 PolarHBondContact O-N 3.25Å; A39-L46 HydrophobicContact CB-CD1 3.81Å; A39-V123 HydrophobicContact CB-CG1 3.6Å; A39-I125 HydrophobicContact CB-CD1 3.57Å; A39-M129 HydrophobicContact CB-CE 4.16Å
40F93.4Very high94.3Very high116 Ų11637.3 Ų37.351%0.50920%0.201SC..G310 helixtrans-56.7-33.5171.7-65.5-51.3000113.1H36 G38 C42 A43 G120 V123H36-F40 VanDerWaalsContact O-CD2 3.24Å; H36-F40 WeakPolarHBondContact O-CD2 3.5Å; H36-F40 PolarHBondContact O-N 3.33Å; G38-F40 VanDerWaalsContact C-N 3.27Å; G38-F40 PolarHBondContact O-N 3.06Å; F40-C42 PolarHBondContact O-N 3.34Å; F40-A43 PolarHBondContact O-N 3.06Å; F40-G120 WeakPolarHBondContact CE1-O 3.24Å; F40-V123 HydrophobicContact CD1-CG2 4.11Å; F40-V123 HydrophobicContact CE1-CG2 4.4Å
41S90.8Very high94Very high74 Ų7442.9 Ų42.952%0.51724%0.237SC..G310 helixtrans-66.8-21.4178.870.40000113.7G38 A39G38-S41 WeakPolarHBondContact O-CB 3.25Å; G38-S41 PolarHBondContact O-N 2.94Å; G38-S41 PolarHBondContact O-OG 2.75Å; A39-S41 PolarHBondContact O-N 3.43Å
42C93.8Very high93.9Very high3 Ų343.8 Ų43.82%0.0224%0.243CC..G310 helixtrans-123.420.8178.758.30000113.4A39 F40 E44 K45 L46 T52 Q54A39-C42 CarbonylContact O-C 3.52Å; A39-C42 PolarHBondContact O-N 2.65Å; A39-C42 VanDerWaalsContact O-N 3.07Å; A39-C42 PolarHBondContact O-SG 3.03Å; F40-C42 PolarHBondContact O-N 3.34Å; C42-E44 VanDerWaalsContact C-N 3.33Å; C42-E44 PolarHBondContact O-N 2.86Å; C42-K45 WeakPolarHBondContact O-CB 3.48Å; C42-K45 PolarHBondContact O-N 3.01Å; C42-L46 PolarHBondContact O-N 2.92Å; C42-T52 HydrophobicContact CB-CG2 3.95Å; C42-Q54 HydrophobicContact CB-CB 4.11Å
43A94.3Very high93.8Very high9 Ų947.6 Ų47.67%0.07427%0.265CS..Hα-helixtrans-57.8-40.7-171.800000113.5A39 F40 K45 L46 A47 V123A39-A43 PolarHBondContact O-N 3.25Å; F40-A43 PolarHBondContact O-N 3.06Å; A43-K45 VanDerWaalsContact C-N 3.29Å; A43-K45 PolarHBondContact O-N 2.95Å; A43-L46 PolarHBondContact O-N 2.87Å; A43-A47 WeakPolarHBondContact O-CB 3.49Å; A43-A47 PolarHBondContact O-N 2.88Å; A43-V123 HydrophobicContact CB-CG2 3.65Å
44E92.6Very high93.8Very high53 Ų5351 Ų5125%0.24828%0.279CS..Hα-helixtrans-62-35.4176.6-167.1-172.3137.600112.1C42 K48 R116 F119C42-E44 VanDerWaalsContact C-N 3.33Å; C42-E44 PolarHBondContact O-N 2.86Å; E44-K48 WeakPolarHBondContact O-CD 3.33Å; E44-K48 VanDerWaalsContact O-CG 3.31Å; E44-K48 WeakPolarHBondContact O-CG 3.34Å; E44-K48 PolarHBondContact O-N 2.81Å; E44-K48 WeakPolarHBondContact OE1-CE 3.25Å; E44-K48 IonicContact OE1-NZ 3.76Å; E44-K48 PolarHBondContact OE1-NZ 3.09Å; E44-R116 WeakPolarHBondContact OE2-CG 3.38Å; E44-R116 IonicContact OE2-CZ 2.71Å; E44-R116 IonicContact OE2-NE 3.5Å; E44-R116 PolarHBondContact OE2-NE 2.72Å; E44-R116 IonicContact OE2-NH2 3.62Å; E44-R116 PolarHBondContact OE2-NH2 2.72Å; E44-F119 HydrophobicContact CB-CD2 4.33Å; E44-F119 HydrophobicContact CG-CD2 3.93Å; E44-F119 HydrophobicContact CG-CE2 4.2Å
45K93.9Very high93.8Very high75 Ų7551.2 Ų51.233%0.32628%0.28SS..Hα-helixtrans-70.9-48.9176.6-67.7-173.9163.6-78.10111.2C42 A43 A47 K48 G49 E50 T52C42-K45 WeakPolarHBondContact O-CB 3.48Å; C42-K45 PolarHBondContact O-N 3.01Å; A43-K45 VanDerWaalsContact C-N 3.29Å; A43-K45 PolarHBondContact O-N 2.95Å; K45-A47 VanDerWaalsContact C-N 3.32Å; K45-A47 PolarHBondContact O-N 3.12Å; K45-K48 PolarHBondContact O-N 3.19Å; K45-K48 VanDerWaalsContact O-N 3.12Å; K45-G49 PolarHBondContact O-N 3.17Å; K45-G49 VanDerWaalsContact O-N 3.09Å; K45-E50 HydrophobicContact CB-CB 3.92Å; K45-E50 HydrophobicContact CG-CB 4.31Å; K45-E50 WeakPolarHBondContact CG-OE2 3.44Å; K45-E50 IonicContact NZ-OE2 2.65Å; K45-E50 PolarHBondContact NZ-OE2 3.33Å; K45-E50 PolarHBondContact O-N 3.06Å; K45-T52 HydrophobicContact CB-CG2 4.22Å
46L94Very high93.8Very high46 Ų4652 Ų5224%0.24129%0.285CS..Hα-helixtrans-58.9-41.9178.4-66172.5000111.8A39 C42 A43 K48 G49 T52 Y55 M129A39-L46 HydrophobicContact CB-CD1 3.81Å; C42-L46 PolarHBondContact O-N 2.92Å; A43-L46 PolarHBondContact O-N 2.87Å; L46-K48 VanDerWaalsContact C-N 3.25Å; L46-K48 PolarHBondContact O-N 2.61Å; L46-G49 PolarHBondContact O-N 3.41Å; L46-G49 VanDerWaalsContact O-N 3.14Å; L46-T52 HydrophobicContact CD2-CG2 3.65Å; L46-T52 HydrophobicContact CG-CG2 4.07Å; L46-Y55 HydrophobicContact CD2-CE1 4.46Å; L46-M129 HydrophobicContact CD1-CE 3.9Å; L46-M129 HydrophobicContact CD2-CE 4.17Å; L46-M129 HydrophobicContact CD2-SD 4.27Å
47A92Very high93.9Very high10 Ų1057.3 Ų57.38%0.08330%0.302CS..Hα-helixtrans-66.5-22.6178.300000114.6A43 K45 L100 R104 F119A43-A47 WeakPolarHBondContact O-CB 3.49Å; A43-A47 PolarHBondContact O-N 2.88Å; K45-A47 VanDerWaalsContact C-N 3.32Å; K45-A47 PolarHBondContact O-N 3.12Å; A47-L100 HydrophobicContact CB-CD1 3.79Å; A47-R104 PolarHBondContact O-NH2 2.93Å; A47-F119 HydrophobicContact CB-CB 4.02Å; A47-F119 HydrophobicContact CB-CD1 3.36Å; A47-F119 HydrophobicContact CB-CE1 3.94Å; A47-F119 HydrophobicContact CB-CG 3.77Å
48K90.2Very high94Very high91 Ų9156.8 Ų56.840%0.39630%0.299SS..Hα-helixtrans-92.9-11.2174.3-68.1170-173.7173.10113.6E44 K45 L46 E50E44-K48 WeakPolarHBondContact O-CD 3.33Å; E44-K48 VanDerWaalsContact O-CG 3.31Å; E44-K48 WeakPolarHBondContact O-CG 3.34Å; E44-K48 PolarHBondContact O-N 2.81Å; E44-K48 WeakPolarHBondContact OE1-CE 3.25Å; E44-K48 IonicContact OE1-NZ 3.76Å; E44-K48 PolarHBondContact OE1-NZ 3.09Å; K45-K48 PolarHBondContact O-N 3.19Å; K45-K48 VanDerWaalsContact O-N 3.12Å; L46-K48 VanDerWaalsContact C-N 3.25Å; L46-K48 PolarHBondContact O-N 2.61Å; K48-E50 VanDerWaalsContact C-N 3.33Å; K48-E50 HydrophobicContact CB-CG 4.13Å; K48-E50 HydrophobicContact CD-CG 4.49Å; K48-E50 WeakPolarHBondContact CD-OE1 3.4Å; K48-E50 IonicContact NZ-OE1 3.69Å; K48-E50 PolarHBondContact NZ-OE1 2.9Å
49G90.8Very high94.1Very high66 Ų6656.8 Ų56.868%0.6830%0.299SS*.THydrogen-bonded Turntrans76.716-170.700000114.2K45 L46K45-G49 PolarHBondContact O-N 3.17Å; K45-G49 VanDerWaalsContact O-N 3.09Å; L46-G49 PolarHBondContact O-N 3.41Å; L46-G49 VanDerWaalsContact O-N 3.14Å
50E93.6Very high94.2Very high67 Ų6757.5 Ų57.531%0.31330%0.303SS..  trans-70.9133.1175.1-71.3178.7-142.800110.5K45 K48K45-E50 HydrophobicContact CB-CB 3.92Å; K45-E50 HydrophobicContact CG-CB 4.31Å; K45-E50 WeakPolarHBondContact CG-OE2 3.44Å; K45-E50 IonicContact NZ-OE2 2.65Å; K45-E50 PolarHBondContact NZ-OE2 3.33Å; K45-E50 PolarHBondContact O-N 3.06Å; K48-E50 VanDerWaalsContact C-N 3.33Å; K48-E50 HydrophobicContact CB-CG 4.13Å; K48-E50 HydrophobicContact CD-CG 4.49Å; K48-E50 WeakPolarHBondContact CD-OE1 3.4Å; K48-E50 IonicContact NZ-OE1 3.69Å; K48-E50 PolarHBondContact NZ-OE1 2.9Å
51P92.9Very high94.4Very high124 Ų12456.5 Ų56.581%0.80530%0.298SS*.  trans-64.2137.6178.626.4-34.3000111.7
52T94.8Very high94.7Very high18 Ų1853.2 Ų53.211%0.1128%0.275CS..  trans-160.5140.4-177.4179.80000111.2C42 K45 L46 Q54 Y55C42-T52 HydrophobicContact CB-CG2 3.95Å; K45-T52 HydrophobicContact CB-CG2 4.22Å; L46-T52 HydrophobicContact CD2-CG2 3.65Å; L46-T52 HydrophobicContact CG-CG2 4.07Å; T52-Q54 PolarHBondContact OG1-N 3.23Å; T52-Y55 HydrophobicContact CG2-CE1 4.36Å; T52-Y55 WeakPolarHBondContact O-CE1 3.34Å
53D93.8Very high94.9Very high109 Ų10953.1 Ų53.158%0.58327%0.274SS*.  trans-115.312.6175.9-54.9-53000112.3Y55 V56 W57D53-Y55 PolarHBondContact O-N 3.21Å; D53-V56 HydrophobicContact CB-CG2 4.41Å; D53-V56 WeakPolarHBondContact O-CA 3.33Å; D53-V56 WeakPolarHBondContact O-CB 3.38Å; D53-V56 PolarHBondContact O-N 2.87Å; D53-W57 PolarHBondContact O-N 3Å; D53-W57 VanDerWaalsContact O-N 3.14Å
54Q95.4Very high95.1Very high87 Ų8754.7 Ų54.741%0.40728%0.281SS..Hα-helixtrans-62-31.3-173.7-68.3-177.4-11.800112.9C42 T52 Y58C42-Q54 HydrophobicContact CB-CB 4.11Å; T52-Q54 PolarHBondContact OG1-N 3.23Å; Q54-Y58 WeakPolarHBondContact O-CB 3.29Å; Q54-Y58 PolarHBondContact O-N 3.21Å
55Y96.4Very high95.3Very high9 Ų953 Ų534%0.03527%0.273CS..Hα-helixtrans-67.5-35.3172.358.8-92.4000112.5L35 L46 T52 D53 Y58 C59 M129 N132L35-Y55 HydrophobicContact CD2-CD2 3.81Å; L46-Y55 HydrophobicContact CD2-CE1 4.46Å; T52-Y55 HydrophobicContact CG2-CE1 4.36Å; T52-Y55 WeakPolarHBondContact O-CE1 3.34Å; D53-Y55 PolarHBondContact O-N 3.21Å; Y55-Y58 PolarHBondContact O-N 2.92Å; Y55-C59 PolarHBondContact O-N 3.02Å; Y55-C59 VanDerWaalsContact O-N 3.07Å; Y55-C59 PolarHBondContact O-SG 3.36Å; Y55-M129 HydrophobicContact CD1-CE 3.71Å; Y55-M129 HydrophobicContact CD2-CB 4.41Å; Y55-M129 HydrophobicContact CD2-CE 4.17Å; Y55-M129 HydrophobicContact CE1-CE 3.84Å; Y55-M129 HydrophobicContact CE1-CG 4.19Å; Y55-M129 HydrophobicContact CE2-CB 3.76Å; Y55-M129 HydrophobicContact CE2-CE 4.3Å; Y55-M129 HydrophobicContact CE2-CG 4.1Å; Y55-M129 WeakPolarHBondContact CE2-O 3.4Å; Y55-M129 HydrophobicContact CG-CE 3.91Å; Y55-N132 PolarHBondContact OH-ND2 3.16Å
56V97.3Very high95.5Very high16 Ų1649.4 Ų49.410%0.09726%0.258CS..Hα-helixtrans-63.9-50.8174.9-174.10000109.5D53 Y58 C59 M60 N132 L133 A136D53-V56 HydrophobicContact CB-CG2 4.41Å; D53-V56 WeakPolarHBondContact O-CA 3.33Å; D53-V56 WeakPolarHBondContact O-CB 3.38Å; D53-V56 PolarHBondContact O-N 2.87Å; V56-Y58 VanDerWaalsContact C-N 3.29Å; V56-Y58 PolarHBondContact O-N 2.87Å; V56-C59 PolarHBondContact O-N 3.07Å; V56-M60 HydrophobicContact CG1-CG 4.17Å; V56-M60 WeakPolarHBondContact O-CB 3.38Å; V56-M60 VanDerWaalsContact O-CG 3.31Å; V56-M60 WeakPolarHBondContact O-CG 3.4Å; V56-M60 PolarHBondContact O-N 3.33Å; V56-N132 HydrophobicContact CG2-CB 4.16Å; V56-L133 HydrophobicContact CG1-CD1 4.04Å; V56-A136 HydrophobicContact CG1-CB 3.52Å
57W96.5Very high95.6Very high173 Ų17348.6 Ų48.666%0.65525%0.253SS*.Hα-helixtrans-62.8-34.1178.2-174.579000113D53 K61D53-W57 PolarHBondContact O-N 3Å; D53-W57 VanDerWaalsContact O-N 3.14Å; W57-K61 VanDerWaalsContact CH2-CE 3.49Å; W57-K61 VanDerWaalsContact CZ2-NZ 3.26Å; W57-K61 VanDerWaalsContact CZ3-NZ 3.33Å; W57-K61 WeakPolarHBondContact O-CG 3.49Å; W57-K61 PolarHBondContact O-N 3Å
58Y97.1Very high95.8Very high46 Ų4653.8 Ų53.818%0.1828%0.28CS..Hα-helixtrans-60.4-50.8172.3-178.8-84.3000111.5K37 G38 Q54 Y55 V56 K61 F62K37-Y58 HydrophobicContact CB-CE1 3.67Å; K37-Y58 WeakPolarHBondContact CB-OH 3.5Å; G38-Y58 VanDerWaalsContact CA-CG 3.41Å; Q54-Y58 WeakPolarHBondContact O-CB 3.29Å; Q54-Y58 PolarHBondContact O-N 3.21Å; Y55-Y58 PolarHBondContact O-N 2.92Å; V56-Y58 VanDerWaalsContact C-N 3.29Å; V56-Y58 PolarHBondContact O-N 2.87Å; Y58-K61 PolarHBondContact O-N 3.18Å; Y58-F62 HydrophobicContact CD1-CD2 4.45Å; Y58-F62 HydrophobicContact CD1-CE2 4.13Å; Y58-F62 HydrophobicContact CE1-CD2 4.15Å; Y58-F62 AromaticContact CE1-CE2 3.49Å; Y58-F62 HydrophobicContact CE1-CE2 3.49Å; Y58-F62 VanDerWaalsContact CE1-CE2 3.49Å; Y58-F62 HydrophobicContact CE1-CZ 4.39Å; Y58-F62 HydrophobicContact CE2-CE2 4.43Å; Y58-F62 AromaticContact CZ-CE2 3.66Å; Y58-F62 WeakPolarHBondContact O-CD2 3.46Å
59C97.8Very high96.1Very high1 Ų151.9 Ų51.91%0.00727%0.272CS..Hα-helixtrans-68.3-42.4-178.1-59.90000111.8W34 Y55 V56 K61 F62 V63 L133W34-C59 VanDerWaalsContact C-SG 3.55Å; W34-C59 HydrophobicContact CB-CB 4.45Å; W34-C59 HydrophobicContact CE3-CB 4.46Å; Y55-C59 PolarHBondContact O-N 3.02Å; Y55-C59 VanDerWaalsContact O-N 3.07Å; Y55-C59 PolarHBondContact O-SG 3.36Å; V56-C59 PolarHBondContact O-N 3.07Å; C59-K61 PolarHBondContact O-N 2.86Å; C59-K61 VanDerWaalsContact O-N 3.14Å; C59-F62 PolarHBondContact O-N 3.47Å; C59-V63 PolarHBondContact O-N 2.79Å; C59-L133 HydrophobicContact CB-CD1 3.72Å; C59-L133 HydrophobicContact CB-CD2 3.48Å; C59-L133 VanDerWaalsContact CB-CD2 3.48Å; C59-L133 HydrophobicContact CB-CG 4.28Å
60M97.6Very high96.3Very high14 Ų1451.6 Ų51.67%0.06926%0.259CS..Hα-helixtrans-61-23.9179.2-69.8-52.5-57.400113.4V56 V63 D64 L133 A136 A137 R140V56-M60 HydrophobicContact CG1-CG 4.17Å; V56-M60 WeakPolarHBondContact O-CB 3.38Å; V56-M60 VanDerWaalsContact O-CG 3.31Å; V56-M60 WeakPolarHBondContact O-CG 3.4Å; V56-M60 PolarHBondContact O-N 3.33Å; M60-V63 HydrophobicContact CE-CB 4.14Å; M60-V63 HydrophobicContact CE-CG1 3.97Å; M60-V63 PolarHBondContact O-N 3.01Å; M60-V63 HydrophobicContact SD-CB 4.44Å; M60-V63 HydrophobicContact SD-CG2 4.21Å; M60-D64 WeakPolarHBondContact O-CB 3.43Å; M60-D64 PolarHBondContact O-N 2.98Å; M60-L133 HydrophobicContact CG-CD1 4.05Å; M60-L133 HydrophobicContact SD-CD1 3.74Å; M60-A136 HydrophobicContact CG-CB 4.22Å; M60-A136 HydrophobicContact SD-CB 4.1Å; M60-A137 HydrophobicContact SD-CB 4.21Å; M60-R140 HydrophobicContact CE-CB 4.27Å; M60-R140 HydrophobicContact CE-CG 3.44Å; M60-R140 VanDerWaalsContact CE-CG 3.44Å
61K96.8Very high96.5Very high96 Ų9648.5 Ų48.542%0.41725%0.245SC..Hα-helixtrans-66.1-35.5171.3-78.1-177.8173.1-171.60113.9W57 Y58 C59 M65W57-K61 VanDerWaalsContact CH2-CE 3.49Å; W57-K61 VanDerWaalsContact CZ2-NZ 3.26Å; W57-K61 VanDerWaalsContact CZ3-NZ 3.33Å; W57-K61 WeakPolarHBondContact O-CG 3.49Å; W57-K61 PolarHBondContact O-N 3Å; Y58-K61 PolarHBondContact O-N 3.18Å; C59-K61 PolarHBondContact O-N 2.86Å; C59-K61 VanDerWaalsContact O-N 3.14Å; K61-M65 WeakPolarHBondContact O-CB 3.48Å; K61-M65 PolarHBondContact O-N 2.85Å
62F97.9Very high96.6Very high5 Ų543.5 Ų43.52%0.02221%0.211CC..Hα-helixtrans-75.3-37.6176.5-72.1-89.1000111W34 Y58 C59 M65 L66 M186 D187 K188W34-F62 HydrophobicContact CD2-CB 3.98Å; W34-F62 HydrophobicContact CD2-CD2 4.48Å; W34-F62 HydrophobicContact CD2-CG 4.24Å; W34-F62 HydrophobicContact CE3-CB 3.68Å; W34-F62 HydrophobicContact CE3-CG 4.38Å; W34-F62 HydrophobicContact CH2-CB 3.44Å; W34-F62 VanDerWaalsContact CH2-CB 3.44Å; W34-F62 HydrophobicContact CH2-CG 4.43Å; W34-F62 HydrophobicContact CZ2-CB 3.74Å; W34-F62 HydrophobicContact CZ2-CD1 4.39Å; W34-F62 HydrophobicContact CZ2-CG 4.27Å; W34-F62 HydrophobicContact CZ3-CB 3.4Å; W34-F62 VanDerWaalsContact CZ3-CB 3.4Å; W34-F62 HydrophobicContact CZ3-CG 4.48Å; Y58-F62 HydrophobicContact CD1-CD2 4.45Å; Y58-F62 HydrophobicContact CD1-CE2 4.13Å; Y58-F62 HydrophobicContact CE1-CD2 4.15Å; Y58-F62 AromaticContact CE1-CE2 3.49Å; Y58-F62 HydrophobicContact CE1-CE2 3.49Å; Y58-F62 VanDerWaalsContact CE1-CE2 3.49Å; Y58-F62 HydrophobicContact CE1-CZ 4.39Å; Y58-F62 HydrophobicContact CE2-CE2 4.43Å; Y58-F62 AromaticContact CZ-CE2 3.66Å; Y58-F62 WeakPolarHBondContact O-CD2 3.46Å; C59-F62 PolarHBondContact O-N 3.47Å; F62-M65 HydrophobicContact CD1-CE 4.29Å; F62-M65 PolarHBondContact O-N 2.83Å; F62-L66 WeakPolarHBondContact O-CG 3.33Å; F62-L66 PolarHBondContact O-N 2.78Å; F62-M186 HydrophobicContact CD1-CE 3.63Å; F62-M186 HydrophobicContact CE1-CE 4.19Å; F62-D187 WeakPolarHBondContact CE1-O 3.35Å; F62-K188 HydrophobicContact CE1-CG 4Å; F62-K188 HydrophobicContact CE2-CG 4.14Å; F62-K188 HydrophobicContact CZ-CG 3.59Å
63V97.8Very high96.7Very high0 Ų042.7 Ų42.70%021%0.206CC..Hα-helixtrans-56.6-52.2169.2178.10000110.8W34 C59 M60 M65 L66 L67 P73 L75 V142W34-V63 HydrophobicContact CZ3-CG2 4.06Å; C59-V63 PolarHBondContact O-N 2.79Å; M60-V63 HydrophobicContact CE-CB 4.14Å; M60-V63 HydrophobicContact CE-CG1 3.97Å; M60-V63 PolarHBondContact O-N 3.01Å; M60-V63 HydrophobicContact SD-CB 4.44Å; M60-V63 HydrophobicContact SD-CG2 4.21Å; V63-M65 VanDerWaalsContact C-N 3.3Å; V63-M65 PolarHBondContact O-N 3.07Å; V63-L66 PolarHBondContact O-N 3.31Å; V63-L67 HydrophobicContact CG1-CD1 3.93Å; V63-L67 HydrophobicContact CG1-CG 4.44Å; V63-L67 WeakPolarHBondContact O-CG 3.45Å; V63-L67 PolarHBondContact O-N 2.68Å; V63-P73 HydrophobicContact CG1-CG 4.44Å; V63-L75 HydrophobicContact CG2-CD1 4.04Å; V63-L75 HydrophobicContact CG2-CD2 4.24Å; V63-V142 HydrophobicContact CG1-CG2 3.72Å
64D97.2Very high96.9Very high43 Ų4337.5 Ų37.523%0.2318%0.178CC..Hα-helixtrans-62-36.6179.4-72.3-9.6000112.1M60 N68 R140M60-D64 WeakPolarHBondContact O-CB 3.43Å; M60-D64 PolarHBondContact O-N 2.98Å; D64-N68 VanDerWaalsContact O-CB 3.25Å; D64-N68 WeakPolarHBondContact O-CB 3.35Å; D64-N68 PolarHBondContact O-N 2.67Å; D64-N68 PolarHBondContact O-ND2 3.12Å; D64-R140 IonicContact OD1-CZ 2.81Å; D64-R140 VanDerWaalsContact OD1-CZ 3.24Å; D64-R140 IonicContact OD1-NH1 3.21Å; D64-R140 PolarHBondContact OD1-NH1 3.39Å; D64-R140 IonicContact OD1-NH2 2.63Å; D64-R140 PolarHBondContact OD1-NH2 2.95Å; D64-R140 IonicContact OD2-CZ 2.75Å; D64-R140 IonicContact OD2-NH1 2.8Å; D64-R140 IonicContact OD2-NH2 3.62Å; D64-R140 PolarHBondContact OD2-NH2 2.95Å
65M97.4Very high97.1Very high16 Ų1633.4 Ų33.48%0.07916%0.159CC..Hα-helixtrans-63-46.2174.2177.5-81.6-67.100112.3V19 K61 F62 V63 N68 F69 M186V19-M65 HydrophobicContact CG2-CE 4.35Å; V19-M65 HydrophobicContact CG2-SD 3.82Å; K61-M65 WeakPolarHBondContact O-CB 3.48Å; K61-M65 PolarHBondContact O-N 2.85Å; F62-M65 HydrophobicContact CD1-CE 4.29Å; F62-M65 PolarHBondContact O-N 2.83Å; V63-M65 VanDerWaalsContact C-N 3.3Å; V63-M65 PolarHBondContact O-N 3.07Å; M65-N68 PolarHBondContact O-N 3.42Å; M65-F69 HydrophobicContact CG-CD2 4.32Å; M65-F69 HydrophobicContact CG-CE2 3.85Å; M65-F69 HydrophobicContact CG-CZ 4.41Å; M65-F69 PolarHBondContact O-N 3.35Å; M65-F69 HydrophobicContact SD-CD2 3.6Å; M65-F69 HydrophobicContact SD-CE2 3.49Å; M65-F69 WeakPolarHBondContact SD-CE2 3.42Å; M65-M186 HydrophobicContact CE-CE 3.49Å; M65-M186 VanDerWaalsContact CE-CE 3.49Å; M65-M186 HydrophobicContact CE-SD 3.93Å
66L97.6Very high97.2Very high0 Ų033 Ų330%016%0.157CC..Hα-helixtrans-63.8-46.1177.9-69.6174.8000111.6V19 V29 W34 F62 V63 N68 F69 S70 V71 P73 I168V19-L66 HydrophobicContact CB-CD2 4.14Å; V19-L66 HydrophobicContact CG1-CD2 4.45Å; V19-L66 HydrophobicContact CG2-CD2 3.72Å; V29-L66 HydrophobicContact CG2-CD1 4.25Å; W34-L66 HydrophobicContact CH2-CD1 3.89Å; F62-L66 WeakPolarHBondContact O-CG 3.33Å; F62-L66 PolarHBondContact O-N 2.78Å; V63-L66 PolarHBondContact O-N 3.31Å; L66-N68 VanDerWaalsContact C-N 3.34Å; L66-N68 PolarHBondContact O-N 2.77Å; L66-F69 CarbonylContact O-C 3.52Å; L66-F69 PolarHBondContact O-N 3.43Å; L66-F69 VanDerWaalsContact O-N 3.11Å; L66-S70 PolarHBondContact O-N 2.89Å; L66-V71 CarbonylContact C-O 3.59Å; L66-V71 HydrophobicContact CB-CB 4.27Å; L66-V71 HydrophobicContact CD2-CB 4.29Å; L66-V71 HydrophobicContact CD2-CG1 4.34Å; L66-V71 PolarHBondContact O-N 2.87Å; L66-P73 HydrophobicContact CD1-CB 4.02Å; L66-I168 HydrophobicContact CD1-CD1 3.97Å; L66-I168 HydrophobicContact CD2-CD1 4.05Å
67L96Very high97.2Very high29 Ų2932.2 Ų32.215%0.15215%0.153CC..Hα-helixtrans-61.1-40.4176.7-67.5175.1000112.2V63 F69 S70 P73 V142 V364V63-L67 HydrophobicContact CG1-CD1 3.93Å; V63-L67 HydrophobicContact CG1-CG 4.44Å; V63-L67 WeakPolarHBondContact O-CG 3.45Å; V63-L67 PolarHBondContact O-N 2.68Å; L67-F69 VanDerWaalsContact C-N 3.25Å; L67-F69 PolarHBondContact O-N 3.46Å; L67-S70 WeakPolarHBondContact O-CA 3.47Å; L67-S70 PolarHBondContact O-N 2.97Å; L67-P73 HydrophobicContact CD2-CG 4.28Å; L67-P73 HydrophobicContact CG-CG 4.5Å; L67-V142 HydrophobicContact CD1-CG2 3.99Å; L67-V142 HydrophobicContact CD2-CG2 4.4Å; L67-V364 HydrophobicContact CD2-CG2 3.93Å
68N96.4Very high97.2Very high120 Ų12026 Ų2664%0.64213%0.132SC*.Hα-helixtrans-65.1-25.7175.9-75.7-28.3000113.4D64 M65 L66 S70D64-N68 VanDerWaalsContact O-CB 3.25Å; D64-N68 WeakPolarHBondContact O-CB 3.35Å; D64-N68 PolarHBondContact O-N 2.67Å; D64-N68 PolarHBondContact O-ND2 3.12Å; M65-N68 PolarHBondContact O-N 3.42Å; L66-N68 VanDerWaalsContact C-N 3.34Å; L66-N68 PolarHBondContact O-N 2.77Å; N68-S70 VanDerWaalsContact C-N 3.29Å
69F96.4Very high97.2Very high50 Ų5024.3 Ų24.322%0.21913%0.129CC..THydrogen-bonded Turntrans-90.69.2170.8-60.9-26.5000113.3V19 K20 K23 M65 L66 L67 V71 Q189V19-F69 HydrophobicContact CG2-CD2 3.89Å; V19-F69 HydrophobicContact CG2-CE2 4.4Å; K20-F69 HydrophobicContact CD-CD1 4.41Å; K20-F69 HydrophobicContact CD-CE1 4.46Å; K20-F69 HydrophobicContact CG-CB 4.07Å; K20-F69 HydrophobicContact CG-CD1 4.01Å; K20-F69 HydrophobicContact CG-CD2 3.87Å; K20-F69 HydrophobicContact CG-CE1 4.46Å; K20-F69 HydrophobicContact CG-CE2 4.3Å; K20-F69 HydrophobicContact CG-CG 3.71Å; K23-F69 WeakPolarHBondContact CG-O 3.35Å; M65-F69 HydrophobicContact CG-CD2 4.32Å; M65-F69 HydrophobicContact CG-CE2 3.85Å; M65-F69 HydrophobicContact CG-CZ 4.41Å; M65-F69 PolarHBondContact O-N 3.35Å; M65-F69 HydrophobicContact SD-CD2 3.6Å; M65-F69 HydrophobicContact SD-CE2 3.49Å; M65-F69 WeakPolarHBondContact SD-CE2 3.42Å; L66-F69 CarbonylContact O-C 3.52Å; L66-F69 PolarHBondContact O-N 3.43Å; L66-F69 VanDerWaalsContact O-N 3.11Å; L67-F69 VanDerWaalsContact C-N 3.25Å; L67-F69 PolarHBondContact O-N 3.46Å; F69-V71 HydrophobicContact CB-CG2 4.18Å; F69-V71 PolarHBondContact O-N 2.73Å; F69-Q189 WeakPolarHBondContact CE2-O 3.31Å
70S96Very high97Very high60 Ų6027.8 Ų27.842%0.4214%0.142SC..THydrogen-bonded Turntrans56.230.8-176.2-34.40000113.5G24 L66 L67 N68G24-S70 PolarHBondContact N-O 3.2Å; L66-S70 PolarHBondContact O-N 2.89Å; L67-S70 WeakPolarHBondContact O-CA 3.47Å; L67-S70 PolarHBondContact O-N 2.97Å; N68-S70 VanDerWaalsContact C-N 3.29Å
71V96.5Very high96.8Very high3 Ų331.3 Ų31.32%0.01816%0.161CC..  trans-87.8136.8167.4-172.20000107.4V27 L66 F69 P73V27-V71 HydrophobicContact CB-CG1 3.93Å; V27-V71 HydrophobicContact CG2-CG1 3.54Å; L66-V71 CarbonylContact C-O 3.59Å; L66-V71 HydrophobicContact CB-CB 4.27Å; L66-V71 HydrophobicContact CD2-CB 4.29Å; L66-V71 HydrophobicContact CD2-CG1 4.34Å; L66-V71 PolarHBondContact O-N 2.87Å; F69-V71 HydrophobicContact CB-CG2 4.18Å; F69-V71 PolarHBondContact O-N 2.73Å; V71-P73 VanDerWaalsContact O-CD 3.22Å; V71-P73 WeakPolarHBondContact O-CD 3.5Å
72K95.8Very high96.6Very high18 Ų1827 Ų278%0.07814%0.142CC..EExtended strand (participates in β ladder)trans-90.2110.7174.4178172.9178.6165.80110.3Q25 T26 V27 D143 V364 G366 L367Q25-K72 PolarHBondContact O-N 2.95Å; T26-K72 CarbonylContact C-O 3.53Å; T26-K72 WeakPolarHBondContact CA-O 3.34Å; T26-K72 HydrophobicContact CG2-CB 4.44Å; T26-K72 HydrophobicContact CG2-CD 4.42Å; T26-K72 HydrophobicContact CG2-CG 4.25Å; V27-K72 PolarHBondContact N-O 3.29Å; K72-D143 WeakPolarHBondContact CE-OD2 3.29Å; K72-D143 IonicContact NZ-OD2 3.64Å; K72-D143 PolarHBondContact NZ-OD2 3.07Å; K72-V364 HydrophobicContact CB-CG1 4.25Å; K72-V364 HydrophobicContact CD-CG1 3.75Å; K72-V364 HydrophobicContact CG-CG1 3.78Å; K72-G366 PolarHBondContact NZ-O 2.91Å; K72-L367 PolarHBondContact NZ-O 2.92Å
73P97.6Very high96.3Very high2 Ų229.3 Ų29.31%0.01316%0.158CC..EExtended strand (participates in β ladder)trans-76141171.428.9-31.6000111.8V27 V29 V63 L66 L67 V71 L75 V142V27-P73 CarbonylContact O-C 3.57Å; V27-P73 WeakPolarHBondContact O-CA 3.45Å; V29-P73 HydrophobicContact CG2-CB 4.41Å; V63-P73 HydrophobicContact CG1-CG 4.44Å; L66-P73 HydrophobicContact CD1-CB 4.02Å; L67-P73 HydrophobicContact CD2-CG 4.28Å; L67-P73 HydrophobicContact CG-CG 4.5Å; V71-P73 VanDerWaalsContact O-CD 3.22Å; V71-P73 WeakPolarHBondContact O-CD 3.5Å; P73-L75 HydrophobicContact CB-CD2 4.48Å; P73-V142 HydrophobicContact CB-CG1 4.38Å; P73-V142 HydrophobicContact CG-CG1 3.88Å; P73-V142 HydrophobicContact CG-CG2 4.05Å
74I98Very high95.8Very high0 Ų030.7 Ų30.70%017%0.167CC..EExtended strand (participates in β ladder)trans-108.1119.4153.9-59.3163000106.7T26 V27 A28 V29 V76 I145 L158 I369T26-I74 HydrophobicContact CG2-CD1 3.45Å; T26-I74 VanDerWaalsContact CG2-CD1 3.45Å; T26-I74 HydrophobicContact CG2-CG1 3.66Å; V27-I74 PolarHBondContact O-N 2.94Å; A28-I74 CarbonylContact C-O 3.55Å; A28-I74 WeakPolarHBondContact CA-O 3.42Å; A28-I74 HydrophobicContact CB-CB 4.47Å; V29-I74 PolarHBondContact N-O 3.4Å; I74-V76 HydrophobicContact CG2-CG2 4.27Å; I74-I145 HydrophobicContact CG2-CG2 3.86Å; I74-L158 HydrophobicContact CG2-CD1 4.43Å; I74-I369 HydrophobicContact CD1-CG2 3.62Å; I74-I369 HydrophobicContact CG1-CG2 3.87Å; I74-I369 HydrophobicContact CG2-CD1 3.94Å
75L98.5Very high95.5Very high0 Ų029.7 Ų29.70%016%0.161CC..EExtended strand (participates in β ladder)trans-86.6117.7175.2-61.8-171.1000110.2V29 T31 W34 V63 P73 F77 A137 V142 D143 C144 I145V29-L75 HydrophobicContact CB-CD2 3.82Å; V29-L75 HydrophobicContact CG1-CD2 3.98Å; V29-L75 HydrophobicContact CG2-CD2 4.11Å; T31-L75 WeakPolarHBondContact OG1-CB 3.45Å; W34-L75 HydrophobicContact CZ3-CD2 4.16Å; V63-L75 HydrophobicContact CG2-CD1 4.04Å; V63-L75 HydrophobicContact CG2-CD2 4.24Å; P73-L75 HydrophobicContact CB-CD2 4.48Å; L75-F77 HydrophobicContact CB-CD2 4.5Å; L75-F77 HydrophobicContact CB-CE2 3.62Å; L75-F77 HydrophobicContact CB-CZ 4.13Å; L75-F77 HydrophobicContact CD1-CZ 4.38Å; L75-A137 HydrophobicContact CD1-CB 3.6Å; L75-V142 HydrophobicContact CD1-CG1 4.27Å; L75-V142 HydrophobicContact CG-CG1 3.95Å; L75-D143 PolarHBondContact N-O 3.18Å; L75-C144 WeakPolarHBondContact O-CA 3.38Å; L75-I145 PolarHBondContact O-N 3.48Å
76V98.5Very high95.1Very high0 Ų035.4 Ų35.40%019%0.188CC..EExtended strand (participates in β ladder)trans-103.5137.2175.4-170.70000109.8V29 T31 I74 I145 A151 Q154 L155 L158V29-V76 WeakPolarHBondContact O-CB 3.5Å; V29-V76 PolarHBondContact O-N 3.45Å; T31-V76 WeakPolarHBondContact CB-O 3.5Å; T31-V76 PolarHBondContact N-O 3.31Å; T31-V76 PolarHBondContact OG1-N 2.74Å; T31-V76 PolarHBondContact OG1-O 3.06Å; I74-V76 HydrophobicContact CG2-CG2 4.27Å; V76-I145 WeakPolarHBondContact CA-O 3.42Å; V76-I145 HydrophobicContact CB-CG2 4.4Å; V76-I145 HydrophobicContact CG1-CG2 4.44Å; V76-I145 HydrophobicContact CG2-CG2 3.82Å; V76-A151 HydrophobicContact CG1-CB 3.9Å; V76-Q154 HydrophobicContact CG1-CB 3.94Å; V76-Q154 HydrophobicContact CG1-CG 3.73Å; V76-L155 HydrophobicContact CB-CD2 3.8Å; V76-L155 HydrophobicContact CB-CG 4.07Å; V76-L155 HydrophobicContact CG1-CD2 4.43Å; V76-L155 HydrophobicContact CG1-CG 4.21Å; V76-L155 HydrophobicContact CG2-CD2 3.41Å; V76-L155 VanDerWaalsContact CG2-CD2 3.41Å; V76-L155 HydrophobicContact CG2-CG 4.07Å; V76-L158 HydrophobicContact CG2-CD1 3.89Å
77F98.3Very high94.6Very high1 Ų143 Ų430%0.00422%0.223CC..EExtended strand (participates in β ladder)trans-124.7148.5-178.7-61.7-99.7000110.4T31 Y32 L35 L75 A130 L133 I134 C144 I145 V146 A147T31-F77 HydrophobicContact CG2-CD1 4.19Å; T31-F77 HydrophobicContact CG2-CE1 3.55Å; T31-F77 HydrophobicContact CG2-CE2 4.45Å; T31-F77 HydrophobicContact CG2-CZ 3.7Å; Y32-F77 HydrophobicContact CE2-CB 4.18Å; Y32-F77 HydrophobicContact CE2-CD1 4.25Å; L35-F77 HydrophobicContact CD1-CD1 4.21Å; L35-F77 HydrophobicContact CD1-CE1 4.16Å; L75-F77 HydrophobicContact CB-CD2 4.5Å; L75-F77 HydrophobicContact CB-CE2 3.62Å; L75-F77 HydrophobicContact CB-CZ 4.13Å; L75-F77 HydrophobicContact CD1-CZ 4.38Å; F77-A130 HydrophobicContact CD1-CB 3.72Å; F77-A130 HydrophobicContact CE1-CB 4.16Å; F77-L133 HydrophobicContact CE1-CB 4.38Å; F77-L133 HydrophobicContact CE1-CD2 4.12Å; F77-L133 HydrophobicContact CE1-CG 4.32Å; F77-L133 HydrophobicContact CZ-CD2 4.34Å; F77-L133 HydrophobicContact CZ-CG 4.24Å; F77-I134 HydrophobicContact CD1-CD1 4.49Å; F77-I134 HydrophobicContact CD1-CG1 4.38Å; F77-I134 HydrophobicContact CD2-CD1 4.05Å; F77-I134 HydrophobicContact CD2-CG1 3.92Å; F77-I134 HydrophobicContact CE1-CG1 3.93Å; F77-I134 HydrophobicContact CE2-CD1 4.12Å; F77-I134 HydrophobicContact CE2-CG1 3.45Å; F77-I134 VanDerWaalsContact CE2-CG1 3.45Å; F77-I134 HydrophobicContact CG-CD1 4.26Å; F77-I134 HydrophobicContact CG-CG1 4.37Å; F77-I134 HydrophobicContact CZ-CD1 4.34Å; F77-I134 HydrophobicContact CZ-CG1 3.44Å; F77-I134 VanDerWaalsContact CZ-CG1 3.44Å; F77-C144 HydrophobicContact CE2-CB 4.09Å; F77-I145 PolarHBondContact N-O 3.01Å; F77-I145 VanDerWaalsContact N-O 3.07Å; F77-V146 HydrophobicContact CB-CG1 4.29Å; F77-V146 HydrophobicContact CB-CG2 4.48Å; F77-A147 PolarHBondContact O-N 2.91Å
78D96.8Very high94.2Very high43 Ų4343.8 Ų43.823%0.2323%0.229CC..  trans-65.7143.9170.5-73.3-46.8000111.6Y32 V146 E150 A151 I332Y32-D78 HydrophobicContact CD1-CB 4.4Å; Y32-D78 WeakPolarHBondContact CD1-OD2 3.36Å; Y32-D78 HydrophobicContact CD2-CB 4.22Å; Y32-D78 HydrophobicContact CE1-CB 4.16Å; Y32-D78 HydrophobicContact CE2-CB 3.98Å; Y32-D78 HydrophobicContact CG-CB 4.43Å; D78-V146 WeakPolarHBondContact O-CG1 3.48Å; D78-E150 WeakPolarHBondContact OD1-CA 3.18Å; D78-A151 WeakPolarHBondContact OD1-CB 3.44Å; D78-A151 PolarHBondContact OD1-N 2.83Å; D78-I332 WeakPolarHBondContact O-CD1 3.48Å
79G95.6Very high93.9Very high10 Ų1039.9 Ų39.910%0.10321%0.207CC..  trans-104.8-127.4172.100000112.1A147 Y149 I332G79-A147 VanDerWaalsContact CA-O 3.23Å; G79-A147 WeakPolarHBondContact CA-O 3.43Å; G79-Y149 WeakPolarHBondContact CA-O 3.45Å; G79-Y149 PolarHBondContact N-O 2.93Å; G79-I332 WeakPolarHBondContact O-CG2 3.42Å
80R94.4Very high93.6Very high73 Ų7343.2 Ų43.228%0.27522%0.221SC..SBendtrans-71.3145.9-174.7-57.7178.479.1-156.56.1111.9L82 P148 Y149 M325 I332 M335R80-L82 PolarHBondContact O-N 2.8Å; R80-P148 WeakPolarHBondContact CB-O 3.47Å; R80-P148 WeakPolarHBondContact CG-O 3.47Å; R80-P148 PolarHBondContact N-O 3.37Å; R80-Y149 HydrophobicContact CB-CD1 3.92Å; R80-Y149 HydrophobicContact CB-CE1 3.78Å; R80-Y149 PolarHBondContact NH1-OH 2.9Å; R80-Y149 WeakPolarHBondContact O-CA 3.47Å; R80-Y149 VanDerWaalsContact O-CD1 3.31Å; R80-Y149 WeakPolarHBondContact O-CD1 3.44Å; R80-M325 HydrophobicContact CG-CE 3.7Å; R80-I332 HydrophobicContact CG-CG2 4.2Å; R80-M335 HydrophobicContact CG-CE 3.92Å
81N92.8Very high93.4Very high88 Ų8844.5 Ų44.547%0.47123%0.227SC..PPolyproline II helixtrans-56.5127.7167.3-68.679.4000111
82L93.4Very high93.1Very high5 Ų546.1 Ų46.13%0.02623%0.233CC..PPolyproline II helixtrans-79.1135.2175.4-169.676.1000111.3R80 S84 K85 Q86 Y149 E150 Y226 T281 Q285 Y312 A313R80-L82 PolarHBondContact O-N 2.8Å; L82-S84 VanDerWaalsContact C-N 3.33Å; L82-S84 PolarHBondContact O-N 2.84Å; L82-K85 HydrophobicContact CB-CB 4.41Å; L82-K85 PolarHBondContact O-N 3.16Å; L82-Q86 PolarHBondContact O-N 3.22Å; L82-Y149 HydrophobicContact CB-CD1 4.26Å; L82-Y149 HydrophobicContact CD1-CD1 3.72Å; L82-Y149 HydrophobicContact CD1-CE1 4.32Å; L82-Y149 HydrophobicContact CD1-CG 3.99Å; L82-E150 WeakPolarHBondContact CD2-OE2 3.45Å; L82-Y226 HydrophobicContact CD2-CD1 4.33Å; L82-Y226 HydrophobicContact CD2-CE1 3.75Å; L82-T281 HydrophobicContact CD2-CG2 3.49Å; L82-T281 VanDerWaalsContact CD2-CG2 3.49Å; L82-Q285 HydrophobicContact CD1-CG 4.42Å; L82-Y312 WeakPolarHBondContact CD1-O 3.26Å; L82-Y312 WeakPolarHBondContact CG-O 3.16Å; L82-A313 WeakPolarHBondContact CD1-O 3.47Å
83P91.8Very high93Very high55 Ų5552.6 Ų52.636%0.35726%0.256SS..G310 helixtrans-58.7-39.2177.1-23.433000113.5K85 Q86P83-K85 PolarHBondContact O-N 2.93Å; P83-Q86 VanDerWaalsContact O-CB 3.23Å; P83-Q86 WeakPolarHBondContact O-CB 3.07Å; P83-Q86 PolarHBondContact O-N 3.11Å; P83-Q86 VanDerWaalsContact O-N 3.07Å
84S87.1Confident92.9Very high28 Ų2857.2 Ų57.220%0.19628%0.278CS..G310 helixtrans-60.2-13.9176.2-58.40000114.7L82 T281 Y312L82-S84 VanDerWaalsContact C-N 3.33Å; L82-S84 PolarHBondContact O-N 2.84Å; S84-T281 PolarHBondContact OG-OG1 3.28Å; S84-T281 VanDerWaalsContact OG-OG1 3.08Å; S84-Y312 PolarHBondContact N-O 3.24Å; S84-Y312 WeakPolarHBondContact OG-CD2 3.29Å; S84-Y312 PolarHBondContact OG-O 2.96Å
85K89.7Confident92.8Very high22 Ų2264.9 Ų64.910%0.09631%0.307CS..G310 helixtrans-116.37.6-178.7-164163.9168.2160.50112.4L82 P83 E87 V88 E89 E150 D225 Y226L82-K85 HydrophobicContact CB-CB 4.41Å; L82-K85 PolarHBondContact O-N 3.16Å; P83-K85 PolarHBondContact O-N 2.93Å; K85-E87 PolarHBondContact O-N 2.94Å; K85-V88 HydrophobicContact CG-CB 4.16Å; K85-V88 HydrophobicContact CG-CG1 4.4Å; K85-V88 PolarHBondContact O-N 3.49Å; K85-E89 HydrophobicContact CG-CG 4.43Å; K85-E89 PolarHBondContact O-N 2.93Å; K85-E150 WeakPolarHBondContact CD-OE1 3.35Å; K85-E150 VanDerWaalsContact CE-OE1 3.26Å; K85-E150 WeakPolarHBondContact CE-OE1 3.46Å; K85-E150 IonicContact NZ-OE1 3.06Å; K85-E150 PolarHBondContact NZ-OE1 3.46Å; K85-D225 HydrophobicContact CD-CB 4.12Å; K85-D225 WeakPolarHBondContact CE-OD2 3.4Å; K85-D225 HydrophobicContact CG-CB 4.45Å; K85-D225 IonicContact NZ-OD2 2.8Å; K85-D225 PolarHBondContact NZ-OD2 3.12Å; K85-Y226 HydrophobicContact CB-CD1 4.25Å; K85-Y226 HydrophobicContact CB-CE1 4.22Å; K85-Y226 HydrophobicContact CD-CE1 4.07Å
86Q89.4Confident92.6Very high137 Ų13766.9 Ų66.964%0.6431%0.314SS*.Hα-helixtrans-60.2-39.9-173.3-177.9175.4-4.100113.2L82 P83 K90L82-Q86 PolarHBondContact O-N 3.22Å; P83-Q86 VanDerWaalsContact O-CB 3.23Å; P83-Q86 WeakPolarHBondContact O-CB 3.07Å; P83-Q86 PolarHBondContact O-N 3.11Å; P83-Q86 VanDerWaalsContact O-N 3.07Å; Q86-K90 VanDerWaalsContact O-CB 3.29Å; Q86-K90 WeakPolarHBondContact O-CB 3.49Å; Q86-K90 PolarHBondContact O-N 2.93Å
87E88.1Confident92.4Very high159 Ų15970.8 Ų70.874%0.74333%0.333SS*.Hα-helixtrans-65.5-46.9177-64.1-176.9178.700111.6K85 E89 K90 T91K85-E87 PolarHBondContact O-N 2.94Å; E87-E89 PolarHBondContact O-N 2.61Å; E87-K90 WeakPolarHBondContact O-CB 3.46Å; E87-K90 PolarHBondContact O-N 3.4Å; E87-T91 PolarHBondContact O-N 3.39Å; E87-T91 PolarHBondContact O-OG1 2.99Å
88V87.8Confident92.3Very high46 Ų4673.4 Ų73.428%0.27935%0.354SS..Hα-helixtrans-61.6-43178.5171.20000111K85 T91 R92 D225K85-V88 HydrophobicContact CG-CB 4.16Å; K85-V88 HydrophobicContact CG-CG1 4.4Å; K85-V88 PolarHBondContact O-N 3.49Å; V88-T91 PolarHBondContact O-N 2.83Å; V88-R92 VanDerWaalsContact CG1-CZ 3.48Å; V88-R92 VanDerWaalsContact CG1-NE 3.27Å; V88-R92 WeakPolarHBondContact O-CB 3.33Å; V88-R92 WeakPolarHBondContact O-CD 3.36Å; V88-R92 WeakPolarHBondContact O-CG 3.38Å; V88-R92 PolarHBondContact O-N 2.85Å; V88-D225 WeakPolarHBondContact CG2-O 3.42Å
89E88.7Confident92.2Very high37 Ų3772.8 Ų72.817%0.17335%0.351CS..Hα-helixtrans-70.8-31.7175.3-76.2-53.6134.300113.8K85 E87 R92 R93 R96K85-E89 HydrophobicContact CG-CG 4.43Å; K85-E89 PolarHBondContact O-N 2.93Å; E87-E89 PolarHBondContact O-N 2.61Å; E89-R92 PolarHBondContact O-N 2.82Å; E89-R92 WeakPolarHBondContact OE1-CD 3.27Å; E89-R92 IonicContact OE1-CZ 2.67Å; E89-R92 IonicContact OE1-NE 3.82Å; E89-R92 IonicContact OE1-NH1 3.53Å; E89-R92 PolarHBondContact OE1-NH1 3.35Å; E89-R93 WeakPolarHBondContact O-CB 3.19Å; E89-R93 PolarHBondContact O-N 3.39Å; E89-R96 IonicContact OE2-NH2 2.63Å
90K91.4Very high92.2Very high120 Ų12073.6 Ų73.652%0.52235%0.353SS..Hα-helixtrans-61-52.9170.2175.3178.9170.3-177.50110.5Q86 E87 R92 R93 E94Q86-K90 VanDerWaalsContact O-CB 3.29Å; Q86-K90 WeakPolarHBondContact O-CB 3.49Å; Q86-K90 PolarHBondContact O-N 2.93Å; E87-K90 WeakPolarHBondContact O-CB 3.46Å; E87-K90 PolarHBondContact O-N 3.4Å; K90-R92 VanDerWaalsContact C-N 3.33Å; K90-R92 PolarHBondContact O-N 2.63Å; K90-R93 WeakPolarHBondContact O-CA 3.47Å; K90-R93 WeakPolarHBondContact O-CB 3.44Å; K90-R93 PolarHBondContact O-N 3.19Å; K90-E94 WeakPolarHBondContact CE-OE1 3.41Å; K90-E94 HydrophobicContact CG-CG 4.47Å; K90-E94 WeakPolarHBondContact CG-OE1 3.43Å; K90-E94 IonicContact NZ-OE1 3.44Å; K90-E94 WeakPolarHBondContact O-CG 3.41Å; K90-E94 PolarHBondContact O-N 2.97Å
91T91Very high92.3Very high87 Ų8775.5 Ų75.553%0.53437%0.365SS..Hα-helixtrans-63.9-36.1177.8-57.60000112.4E87 V88 R93 E94 R95E87-T91 PolarHBondContact O-N 3.39Å; E87-T91 PolarHBondContact O-OG1 2.99Å; V88-T91 PolarHBondContact O-N 2.83Å; T91-R93 VanDerWaalsContact C-N 3.32Å; T91-R93 PolarHBondContact O-N 3.14Å; T91-E94 WeakPolarHBondContact CA-OE2 2.99Å; T91-R95 VanDerWaalsContact O-CB 3.28Å; T91-R95 WeakPolarHBondContact O-CB 3.48Å; T91-R95 PolarHBondContact O-N 3.14Å
92R91.4Very high92.5Very high38 Ų3876.9 Ų76.914%0.14337%0.367CS..Hα-helixtrans-63.5-35.4171.8-73.9165.8-177.8-1714.9112V88 E89 K90 R96 D225V88-R92 VanDerWaalsContact CG1-CZ 3.48Å; V88-R92 VanDerWaalsContact CG1-NE 3.27Å; V88-R92 WeakPolarHBondContact O-CB 3.33Å; V88-R92 WeakPolarHBondContact O-CD 3.36Å; V88-R92 WeakPolarHBondContact O-CG 3.38Å; V88-R92 PolarHBondContact O-N 2.85Å; E89-R92 PolarHBondContact O-N 2.82Å; E89-R92 WeakPolarHBondContact OE1-CD 3.27Å; E89-R92 IonicContact OE1-CZ 2.67Å; E89-R92 IonicContact OE1-NE 3.82Å; E89-R92 IonicContact OE1-NH1 3.53Å; E89-R92 PolarHBondContact OE1-NH1 3.35Å; K90-R92 VanDerWaalsContact C-N 3.33Å; K90-R92 PolarHBondContact O-N 2.63Å; R92-R96 VanDerWaalsContact O-CG 3.27Å; R92-R96 WeakPolarHBondContact O-CG 3.28Å; R92-R96 PolarHBondContact O-N 3.42Å; R92-R96 PolarHBondContact O-NE 3.29Å; R92-D225 IonicContact CZ-OD2 3.63Å; R92-D225 IonicContact NH1-OD2 3.25Å; R92-D225 IonicContact NH2-OD1 3.43Å; R92-D225 PolarHBondContact NH2-OD1 2.88Å; R92-D225 IonicContact NH2-OD2 3.7Å; R92-D225 PolarHBondContact NH2-OD2 3.46Å
93R93Very high92.6Very high154 Ų15476.7 Ų76.758%0.58137%0.365SS*.Hα-helixtrans-69.9-52.3175.3-171-174.1-59.8152.72.3111.4E89 K90 T91 R95 R96 E97E89-R93 WeakPolarHBondContact O-CB 3.19Å; E89-R93 PolarHBondContact O-N 3.39Å; K90-R93 WeakPolarHBondContact O-CA 3.47Å; K90-R93 WeakPolarHBondContact O-CB 3.44Å; K90-R93 PolarHBondContact O-N 3.19Å; T91-R93 VanDerWaalsContact C-N 3.32Å; T91-R93 PolarHBondContact O-N 3.14Å; R93-R95 PolarHBondContact O-N 3.18Å; R93-R96 PolarHBondContact O-N 3.37Å; R93-E97 PolarHBondContact O-N 2.96Å
94E95.4Very high92.7Very high98 Ų9880 Ų8046%0.45837%0.371SS..Hα-helixtrans-56.7-46.4179.5-69.3162.9163.200111.8K90 T91 R96 E97 A98K90-E94 WeakPolarHBondContact CE-OE1 3.41Å; K90-E94 HydrophobicContact CG-CG 4.47Å; K90-E94 WeakPolarHBondContact CG-OE1 3.43Å; K90-E94 IonicContact NZ-OE1 3.44Å; K90-E94 WeakPolarHBondContact O-CG 3.41Å; K90-E94 PolarHBondContact O-N 2.97Å; T91-E94 WeakPolarHBondContact CA-OE2 2.99Å; E94-R96 VanDerWaalsContact C-N 3.29Å; E94-R96 PolarHBondContact O-N 2.88Å; E94-E97 PolarHBondContact O-N 2.92Å; E94-A98 WeakPolarHBondContact O-CB 3.42Å; E94-A98 PolarHBondContact O-N 3.34Å
95R94.9Very high93.2Very high161 Ų16183.2 Ų83.261%0.60838%0.383SS*.Hα-helixtrans-62.1-35.6176.8-167.6-174.674.9-172.20.6112.6T91 R93 N99T91-R95 VanDerWaalsContact O-CB 3.28Å; T91-R95 WeakPolarHBondContact O-CB 3.48Å; T91-R95 PolarHBondContact O-N 3.14Å; R93-R95 PolarHBondContact O-N 3.18Å; R95-N99 PolarHBondContact O-N 3.19Å; R95-N99 PolarHBondContact O-ND2 2.83Å
96R94.3Very high93.5Very high43 Ų4382.6 Ų82.616%0.16238%0.381CS..Hα-helixtrans-70.6-45.5177.9-77.7178.6-73.2-179.80.4111E89 R92 R93 E94 A98 N99 L100 C122 V123 N124E89-R96 IonicContact OE2-NH2 2.63Å; R92-R96 VanDerWaalsContact O-CG 3.27Å; R92-R96 WeakPolarHBondContact O-CG 3.28Å; R92-R96 PolarHBondContact O-N 3.42Å; R92-R96 PolarHBondContact O-NE 3.29Å; R93-R96 PolarHBondContact O-N 3.37Å; E94-R96 VanDerWaalsContact C-N 3.29Å; E94-R96 PolarHBondContact O-N 2.88Å; R96-A98 PolarHBondContact O-N 3.27Å; R96-N99 PolarHBondContact O-N 2.86Å; R96-N99 VanDerWaalsContact O-N 3.16Å; R96-L100 PolarHBondContact O-N 2.84Å; R96-C122 VanDerWaalsContact O-CB 3.25Å; R96-C122 WeakPolarHBondContact O-CB 3.33Å; R96-V123 WeakPolarHBondContact CD-O 3.27Å; R96-N124 PolarHBondContact NH1-OD1 3.41Å
97E94.9Very high93.8Very high82 Ų8279 Ų7938%0.38337%0.365SS..Hα-helixtrans-60.8-46.2177.4-175.753.2-146.200111.8R93 E94 N99 L100 Q101R93-E97 PolarHBondContact O-N 2.96Å; E94-E97 PolarHBondContact O-N 2.92Å; E97-N99 VanDerWaalsContact C-N 3.28Å; E97-N99 PolarHBondContact O-N 2.81Å; E97-L100 WeakPolarHBondContact O-CB 3.44Å; E97-L100 PolarHBondContact O-N 2.82Å; E97-Q101 WeakPolarHBondContact O-CG 3.04Å; E97-Q101 PolarHBondContact O-N 3.32Å; E97-Q101 WeakPolarHBondContact OE1-CG 3.19Å; E97-Q101 PolarHBondContact OE1-NE2 2.76Å
98A96.3Very high94.1Very high56 Ų5681.2 Ų81.246%0.46337%0.367SS..Hα-helixtrans-59.4-36.4175.100000113.1E94 R96 K102E94-A98 WeakPolarHBondContact O-CB 3.42Å; E94-A98 PolarHBondContact O-N 3.34Å; R96-A98 PolarHBondContact O-N 3.27Å; A98-K102 VanDerWaalsContact O-CB 3.32Å; A98-K102 WeakPolarHBondContact O-CB 3.37Å; A98-K102 PolarHBondContact O-N 3.41Å; A98-K102 VanDerWaalsContact O-N 3.08Å
99N95.9Very high94.5Very high30 Ų3083.1 Ų83.116%0.1637%0.373CS..Hα-helixtrans-73.7-33.6174.4-83.3-92.2000112.6R95 R96 E97 G103 C118 R121 C122R95-N99 PolarHBondContact O-N 3.19Å; R95-N99 PolarHBondContact O-ND2 2.83Å; R96-N99 PolarHBondContact O-N 2.86Å; R96-N99 VanDerWaalsContact O-N 3.16Å; E97-N99 VanDerWaalsContact C-N 3.28Å; E97-N99 PolarHBondContact O-N 2.81Å; N99-G103 PolarHBondContact O-N 3.39Å; N99-C118 WeakPolarHBondContact O-CB 3.16Å; N99-R121 HydrophobicContact CB-CB 4.08Å; N99-R121 WeakPolarHBondContact OD1-CB 3.35Å; N99-R121 WeakPolarHBondContact OD1-CD 3.45Å; N99-C122 HydrophobicContact CB-CB 3.95Å
100L94.8Very high94.9Very high26 Ų2683.8 Ų83.814%0.13639%0.39CS..Hα-helixtrans-64.8-47.3175.1178.659.4000111.1A47 R96 E97 G103 R104 F119 C122A47-L100 HydrophobicContact CB-CD1 3.79Å; R96-L100 PolarHBondContact O-N 2.84Å; E97-L100 WeakPolarHBondContact O-CB 3.44Å; E97-L100 PolarHBondContact O-N 2.82Å; L100-G103 PolarHBondContact O-N 2.99Å; L100-R104 WeakPolarHBondContact O-CG 3.45Å; L100-R104 PolarHBondContact O-N 3.36Å; L100-F119 HydrophobicContact CD1-CD1 4.4Å; L100-F119 HydrophobicContact CD1-CE1 4.39Å; L100-C122 HydrophobicContact CB-CB 3.89Å
101Q95.9Very high95.1Very high113 Ų11382.4 Ų82.453%0.52838%0.383SS..Hα-helixtrans-61.5-47.3176.3-66.9177.19.400111.3E97 G103 R104 Q105E97-Q101 WeakPolarHBondContact O-CG 3.04Å; E97-Q101 PolarHBondContact O-N 3.32Å; E97-Q101 WeakPolarHBondContact OE1-CG 3.19Å; E97-Q101 PolarHBondContact OE1-NE2 2.76Å; Q101-G103 PolarHBondContact O-N 2.81Å; Q101-R104 PolarHBondContact O-N 3.45Å; Q101-Q105 PolarHBondContact O-N 3.17Å
102K96.3Very high95.3Very high118 Ų11882.6 Ų82.651%0.51338%0.381SS..Hα-helixtrans-60.9-41.9175.3-174.7169.2179.5169.90112.4A98 R104 Q105 L106A98-K102 VanDerWaalsContact O-CB 3.32Å; A98-K102 WeakPolarHBondContact O-CB 3.37Å; A98-K102 PolarHBondContact O-N 3.41Å; A98-K102 VanDerWaalsContact O-N 3.08Å; K102-R104 PolarHBondContact O-N 2.69Å; K102-Q105 PolarHBondContact O-N 3.27Å; K102-L106 HydrophobicContact CG-CD1 3.82Å; K102-L106 HydrophobicContact CG-CG 4.35Å; K102-L106 WeakPolarHBondContact O-CB 3.34Å; K102-L106 VanDerWaalsContact O-CG 3.29Å; K102-L106 WeakPolarHBondContact O-CG 3.47Å; K102-L106 PolarHBondContact O-N 3.4Å
103G95.8Very high95.4Very high0 Ų085.1 Ų85.10%040%0.404CS..Hα-helixtrans-61.8-42.117500000112.7N99 L100 Q101 Q105 L106 L107 F119N99-G103 PolarHBondContact O-N 3.39Å; L100-G103 PolarHBondContact O-N 2.99Å; Q101-G103 PolarHBondContact O-N 2.81Å; G103-Q105 PolarHBondContact O-N 2.86Å; G103-L106 PolarHBondContact O-N 2.9Å; G103-L107 VanDerWaalsContact O-CB 3.3Å; G103-L107 WeakPolarHBondContact O-CB 3.23Å; G103-L107 PolarHBondContact O-N 3.13Å; G103-F119 VanDerWaalsContact C-CE1 3.47Å; G103-F119 VanDerWaalsContact C-CZ 3.44Å; G103-F119 WeakPolarHBondContact O-CZ 3.49Å
104R95.1Very high95.6Very high124 Ų12482.6 Ų82.647%0.46840%0.399SS..Hα-helixtrans-66.4-32174.8-72.4172.1177.3173.4-0.5113.1A47 L100 Q101 K102 R108 F119A47-R104 PolarHBondContact O-NH2 2.93Å; L100-R104 WeakPolarHBondContact O-CG 3.45Å; L100-R104 PolarHBondContact O-N 3.36Å; Q101-R104 PolarHBondContact O-N 3.45Å; K102-R104 PolarHBondContact O-N 2.69Å; R104-R108 WeakPolarHBondContact O-CG 3.35Å; R104-R108 PolarHBondContact O-N 2.92Å; R104-R108 PolarHBondContact O-NE 2.81Å; R104-F119 HydrophobicContact CG-CE1 4.28Å
105Q96.6Very high95.5Very high96 Ų9678 Ų7845%0.44938%0.378SS..Hα-helixtrans-68.4-54.6170.6176.2176.6-1100111.3Q101 K102 G103 L107 R108 E109Q101-Q105 PolarHBondContact O-N 3.17Å; K102-Q105 PolarHBondContact O-N 3.27Å; G103-Q105 PolarHBondContact O-N 2.86Å; Q105-L107 PolarHBondContact O-N 3.28Å; Q105-R108 WeakPolarHBondContact O-CA 3.44Å; Q105-R108 WeakPolarHBondContact O-CB 3.43Å; Q105-R108 PolarHBondContact O-N 2.77Å; Q105-E109 WeakPolarHBondContact CG-OE1 3.47Å; Q105-E109 PolarHBondContact NE2-OE1 2.68Å; Q105-E109 PolarHBondContact O-N 3.15Å
106L96.8Very high95.5Very high10 Ų1076.8 Ų76.85%0.05237%0.373CS..Hα-helixtrans-59.4-32.2-178.6-68.5165.3000112.7K102 G103 E109 G110 K111 E114 A115K102-L106 HydrophobicContact CG-CD1 3.82Å; K102-L106 HydrophobicContact CG-CG 4.35Å; K102-L106 WeakPolarHBondContact O-CB 3.34Å; K102-L106 VanDerWaalsContact O-CG 3.29Å; K102-L106 WeakPolarHBondContact O-CG 3.47Å; K102-L106 PolarHBondContact O-N 3.4Å; G103-L106 PolarHBondContact O-N 2.9Å; L106-E109 CarbonylContact O-C 3.55Å; L106-E109 PolarHBondContact O-N 3.43Å; L106-G110 PolarHBondContact O-N 3.12Å; L106-K111 HydrophobicContact CB-CB 4.3Å; L106-K111 HydrophobicContact CD2-CB 4.21Å; L106-K111 HydrophobicContact CD2-CD 3.62Å; L106-K111 PolarHBondContact O-N 3Å; L106-E114 HydrophobicContact CD1-CB 3.78Å; L106-E114 HydrophobicContact CD2-CB 4.28Å; L106-E114 HydrophobicContact CG-CB 4.47Å; L106-A115 HydrophobicContact CB-CB 3.91Å
107L94.8Very high95.5Very high60 Ų6078.8 Ų78.831%0.31439%0.387SS..Hα-helixtrans-66.1-37.8173.4-173.462.8000112.6G103 Q105 G110 L112 A115 F119G103-L107 VanDerWaalsContact O-CB 3.3Å; G103-L107 WeakPolarHBondContact O-CB 3.23Å; G103-L107 PolarHBondContact O-N 3.13Å; Q105-L107 PolarHBondContact O-N 3.28Å; L107-G110 PolarHBondContact O-N 3.23Å; L107-L112 HydrophobicContact CD1-CD2 3.71Å; L107-A115 HydrophobicContact CB-CB 4.13Å; L107-F119 HydrophobicContact CB-CZ 4.33Å; L107-F119 HydrophobicContact CD2-CE2 4.23Å; L107-F119 HydrophobicContact CD2-CZ 4.08Å
108R95.1Very high95.5Very high207 Ų20775.1 Ų75.178%0.78137%0.37SS*.Hα-helixtrans-70.5-31.8172.9-70.2-177.9-67.5158.61.1112.3R104 Q105 G110R104-R108 WeakPolarHBondContact O-CG 3.35Å; R104-R108 PolarHBondContact O-N 2.92Å; R104-R108 PolarHBondContact O-NE 2.81Å; Q105-R108 WeakPolarHBondContact O-CA 3.44Å; Q105-R108 WeakPolarHBondContact O-CB 3.43Å; Q105-R108 PolarHBondContact O-N 2.77Å; R108-G110 PolarHBondContact O-N 3.2Å
109E96.8Very high95.4Very high86 Ų8672.5 Ų72.540%0.40235%0.349SS..THydrogen-bonded Turntrans-76.21.6172.4-64.9176.4-159.600113.5Q105 L106 K111Q105-E109 WeakPolarHBondContact CG-OE1 3.47Å; Q105-E109 PolarHBondContact NE2-OE1 2.68Å; Q105-E109 PolarHBondContact O-N 3.15Å; L106-E109 CarbonylContact O-C 3.55Å; L106-E109 PolarHBondContact O-N 3.43Å; E109-K111 HydrophobicContact CB-CD 4.18Å; E109-K111 HydrophobicContact CB-CG 4.31Å; E109-K111 PolarHBondContact O-N 2.92Å; E109-K111 WeakPolarHBondContact OE2-CD 3.31Å; E109-K111 WeakPolarHBondContact OE2-CE 3.49Å; E109-K111 IonicContact OE2-NZ 3.96Å; E109-K111 PolarHBondContact OE2-NZ 3.06Å
110G95.4Very high95.3Very high51 Ų5172 Ų7253%0.52635%0.35SS..THydrogen-bonded Turntrans72.83.8-178.600000115.3L106 L107 R108 L112L106-G110 PolarHBondContact O-N 3.12Å; L107-G110 PolarHBondContact O-N 3.23Å; R108-G110 PolarHBondContact O-N 3.2Å; G110-L112 PolarHBondContact O-N 2.82Å
111K96.9Very high95.3Very high90 Ų9077 Ų7739%0.39137%0.368SS..  trans-79.864.1-177.8-66.8170.2-179.51670111.6L106 E109 S113 E114 A115L106-K111 HydrophobicContact CB-CB 4.3Å; L106-K111 HydrophobicContact CD2-CB 4.21Å; L106-K111 HydrophobicContact CD2-CD 3.62Å; L106-K111 PolarHBondContact O-N 3Å; E109-K111 HydrophobicContact CB-CD 4.18Å; E109-K111 HydrophobicContact CB-CG 4.31Å; E109-K111 PolarHBondContact O-N 2.92Å; E109-K111 WeakPolarHBondContact OE2-CD 3.31Å; E109-K111 WeakPolarHBondContact OE2-CE 3.49Å; E109-K111 IonicContact OE2-NZ 3.96Å; E109-K111 PolarHBondContact OE2-NZ 3.06Å; K111-S113 VanDerWaalsContact C-N 3.26Å; K111-S113 PolarHBondContact O-N 3.36Å; K111-S113 VanDerWaalsContact O-N 3.12Å; K111-E114 HydrophobicContact CB-CB 4.4Å; K111-E114 PolarHBondContact O-N 3.23Å; K111-A115 WeakPolarHBondContact O-CB 3.17Å; K111-A115 PolarHBondContact O-N 3.49Å
112L94.6Very high95.2Very high91 Ų9172.3 Ų72.348%0.47635%0.347SS..Hα-helixtrans-54.9-35.2-169.6-57.3-174.3000114.4L107 G110 R116L107-L112 HydrophobicContact CD1-CD2 3.71Å; G110-L112 PolarHBondContact O-N 2.82Å; L112-R116 VanDerWaalsContact O-CG 3.32Å; L112-R116 WeakPolarHBondContact O-CG 3.27Å; L112-R116 PolarHBondContact O-N 2.84Å; L112-R116 VanDerWaalsContact O-N 3.15Å
113S94.7Very high95.1Very high91 Ų9167.2 Ų67.264%0.63633%0.326SS*.Hα-helixtrans-71.7-48.6-179.9-158.80000112K111 A115 R116 D117K111-S113 VanDerWaalsContact C-N 3.26Å; K111-S113 PolarHBondContact O-N 3.36Å; K111-S113 VanDerWaalsContact O-N 3.12Å; S113-A115 VanDerWaalsContact C-N 3.3Å; S113-A115 PolarHBondContact O-N 3.44Å; S113-R116 PolarHBondContact O-N 2.81Å; S113-D117 PolarHBondContact O-N 2.81Å; S113-D117 VanDerWaalsContact O-N 3.08Å
114E95.5Very high95Very high102 Ų10271.2 Ų71.248%0.47735%0.347SS..Hα-helixtrans-65.1-36.4178-59.5175.6-127.500111.5L106 K111 D117 C118L106-E114 HydrophobicContact CD1-CB 3.78Å; L106-E114 HydrophobicContact CD2-CB 4.28Å; L106-E114 HydrophobicContact CG-CB 4.47Å; K111-E114 HydrophobicContact CB-CB 4.4Å; K111-E114 PolarHBondContact O-N 3.23Å; E114-D117 WeakPolarHBondContact O-CB 3.46Å; E114-D117 PolarHBondContact O-N 2.79Å; E114-C118 PolarHBondContact O-N 3.28Å
115A95.1Very high95Very high1 Ų165.8 Ų65.81%0.00833%0.327CS..Hα-helixtrans-60.1-46.5174.100000111.8L106 L107 K111 S113 D117 C118 F119L106-A115 HydrophobicContact CB-CB 3.91Å; L107-A115 HydrophobicContact CB-CB 4.13Å; K111-A115 WeakPolarHBondContact O-CB 3.17Å; K111-A115 PolarHBondContact O-N 3.49Å; S113-A115 VanDerWaalsContact C-N 3.3Å; S113-A115 PolarHBondContact O-N 3.44Å; A115-D117 PolarHBondContact O-N 2.7Å; A115-C118 PolarHBondContact O-N 3.07Å; A115-F119 HydrophobicContact CB-CE2 4.02Å; A115-F119 WeakPolarHBondContact O-CD2 3.47Å; A115-F119 VanDerWaalsContact O-CG 3.23Å; A115-F119 WeakPolarHBondContact O-CG 3.36Å; A115-F119 PolarHBondContact O-N 2.87Å
116R93.5Very high94.8Very high135 Ų13563.6 Ų63.651%0.50932%0.32SS..Hα-helixtrans-61.5-41.6175.8-77.2172.3-179.7148.97.5112.9E44 L112 S113 C118 F119 G120E44-R116 WeakPolarHBondContact OE2-CG 3.38Å; E44-R116 IonicContact OE2-CZ 2.71Å; E44-R116 IonicContact OE2-NE 3.5Å; E44-R116 PolarHBondContact OE2-NE 2.72Å; E44-R116 IonicContact OE2-NH2 3.62Å; E44-R116 PolarHBondContact OE2-NH2 2.72Å; L112-R116 VanDerWaalsContact O-CG 3.32Å; L112-R116 WeakPolarHBondContact O-CG 3.27Å; L112-R116 PolarHBondContact O-N 2.84Å; L112-R116 VanDerWaalsContact O-N 3.15Å; S113-R116 PolarHBondContact O-N 2.81Å; R116-C118 VanDerWaalsContact C-N 3.32Å; R116-C118 PolarHBondContact O-N 3.33Å; R116-F119 PolarHBondContact O-N 3.23Å; R116-G120 PolarHBondContact O-N 3.37Å
117D94.3Very high94.7Very high86 Ų8664.3 Ų64.346%0.4633%0.326SS..Hα-helixtrans-58.5-43.8174.3-107.635.9000111.9S113 E114 A115 G120 R121S113-D117 PolarHBondContact O-N 2.81Å; S113-D117 VanDerWaalsContact O-N 3.08Å; E114-D117 WeakPolarHBondContact O-CB 3.46Å; E114-D117 PolarHBondContact O-N 2.79Å; A115-D117 PolarHBondContact O-N 2.7Å; D117-G120 PolarHBondContact O-N 3.16Å; D117-R121 WeakPolarHBondContact O-CG 3.02Å; D117-R121 PolarHBondContact O-N 3.43Å; D117-R121 VanDerWaalsContact O-N 3.16Å; D117-R121 IonicContact OD2-CZ 2.68Å; D117-R121 IonicContact OD2-NH1 3.28Å; D117-R121 IonicContact OD2-NH2 2.76Å; D117-R121 PolarHBondContact OD2-NH2 2.72Å
118C95.4Very high94.7Very high4 Ų464.2 Ų64.23%0.02733%0.334CS..Hα-helixtrans-67.3-40.6173.9-77.30000112.6N99 E114 A115 R116 G120 R121 C122N99-C118 WeakPolarHBondContact O-CB 3.16Å; E114-C118 PolarHBondContact O-N 3.28Å; A115-C118 PolarHBondContact O-N 3.07Å; R116-C118 VanDerWaalsContact C-N 3.32Å; R116-C118 PolarHBondContact O-N 3.33Å; C118-G120 VanDerWaalsContact C-N 3.35Å; C118-G120 PolarHBondContact O-N 3.04Å; C118-R121 CarbonylContact O-C 3.54Å; C118-R121 PolarHBondContact O-N 3.01Å; C118-R121 VanDerWaalsContact O-N 3.12Å; C118-C122 PolarHBondContact O-N 3.22Å
119F94.6Very high94.7Very high2 Ų255 Ų551%0.00930%0.3CS..Hα-helixtrans-64.6-37.3174.6-61.6-41.1000112.5E44 A47 L100 G103 R104 L107 A115 R116 R121 C122 V123E44-F119 HydrophobicContact CB-CD2 4.33Å; E44-F119 HydrophobicContact CG-CD2 3.93Å; E44-F119 HydrophobicContact CG-CE2 4.2Å; A47-F119 HydrophobicContact CB-CB 4.02Å; A47-F119 HydrophobicContact CB-CD1 3.36Å; A47-F119 HydrophobicContact CB-CE1 3.94Å; A47-F119 HydrophobicContact CB-CG 3.77Å; L100-F119 HydrophobicContact CD1-CD1 4.4Å; L100-F119 HydrophobicContact CD1-CE1 4.39Å; G103-F119 VanDerWaalsContact C-CE1 3.47Å; G103-F119 VanDerWaalsContact C-CZ 3.44Å; G103-F119 WeakPolarHBondContact O-CZ 3.49Å; R104-F119 HydrophobicContact CG-CE1 4.28Å; L107-F119 HydrophobicContact CB-CZ 4.33Å; L107-F119 HydrophobicContact CD2-CE2 4.23Å; L107-F119 HydrophobicContact CD2-CZ 4.08Å; A115-F119 HydrophobicContact CB-CE2 4.02Å; A115-F119 WeakPolarHBondContact O-CD2 3.47Å; A115-F119 VanDerWaalsContact O-CG 3.23Å; A115-F119 WeakPolarHBondContact O-CG 3.36Å; A115-F119 PolarHBondContact O-N 2.87Å; R116-F119 PolarHBondContact O-N 3.23Å; F119-R121 VanDerWaalsContact C-N 3.29Å; F119-R121 PolarHBondContact O-N 2.88Å; F119-C122 PolarHBondContact O-N 3.5Å; F119-C122 PolarHBondContact O-SG 2.8Å; F119-V123 PolarHBondContact O-N 3.03Å
120G93.6Very high94.8Very high19 Ų1951.2 Ų51.220%0.19628%0.283CS..Hα-helixtrans-59.6-39.3170.500000112.4F40 R116 D117 C118 V123F40-G120 WeakPolarHBondContact CE1-O 3.24Å; R116-G120 PolarHBondContact O-N 3.37Å; D117-G120 PolarHBondContact O-N 3.16Å; C118-G120 VanDerWaalsContact C-N 3.35Å; C118-G120 PolarHBondContact O-N 3.04Å; G120-V123 WeakPolarHBondContact O-CG2 3.18Å
121R93.9Very high94.8Very high132 Ų13249.8 Ų49.850%0.49826%0.262SS..Hα-helixtrans-76.1-17.2177.4-67.2170.2-166.8123.213.4114.1N99 D117 C118 F119N99-R121 HydrophobicContact CB-CB 4.08Å; N99-R121 WeakPolarHBondContact OD1-CB 3.35Å; N99-R121 WeakPolarHBondContact OD1-CD 3.45Å; D117-R121 WeakPolarHBondContact O-CG 3.02Å; D117-R121 PolarHBondContact O-N 3.43Å; D117-R121 VanDerWaalsContact O-N 3.16Å; D117-R121 IonicContact OD2-CZ 2.68Å; D117-R121 IonicContact OD2-NH1 3.28Å; D117-R121 IonicContact OD2-NH2 2.76Å; D117-R121 PolarHBondContact OD2-NH2 2.72Å; C118-R121 CarbonylContact O-C 3.54Å; C118-R121 PolarHBondContact O-N 3.01Å; C118-R121 VanDerWaalsContact O-N 3.12Å; F119-R121 VanDerWaalsContact C-N 3.29Å; F119-R121 PolarHBondContact O-N 2.88Å
122C93.9Very high94.8Very high13 Ų1348.7 Ų48.79%0.08826%0.261CS..Hα-helixtrans-95.5-2.4-179.786.30000114.9R96 N99 L100 C118 F119 N124R96-C122 VanDerWaalsContact O-CB 3.25Å; R96-C122 WeakPolarHBondContact O-CB 3.33Å; N99-C122 HydrophobicContact CB-CB 3.95Å; L100-C122 HydrophobicContact CB-CB 3.89Å; C118-C122 PolarHBondContact O-N 3.22Å; F119-C122 PolarHBondContact O-N 3.5Å; F119-C122 PolarHBondContact O-SG 2.8Å; C122-N124 PolarHBondContact O-N 2.83Å
123V94.1Very high94.9Very high12 Ų1244.4 Ų44.47%0.07324%0.238CC..  trans-50.7126.7-176.5171.70000112.2A39 F40 A43 R96 F119 G120 I125A39-V123 HydrophobicContact CB-CG1 3.6Å; F40-V123 HydrophobicContact CD1-CG2 4.11Å; F40-V123 HydrophobicContact CE1-CG2 4.4Å; A43-V123 HydrophobicContact CB-CG2 3.65Å; R96-V123 WeakPolarHBondContact CD-O 3.27Å; F119-V123 PolarHBondContact O-N 3.03Å; G120-V123 WeakPolarHBondContact O-CG2 3.18Å; V123-I125 HydrophobicContact CG1-CD1 4.17Å
124N93.8Very high95.1Very high83 Ų8340.3 Ų40.344%0.44421%0.209SC..  trans-116.8138.5170.6-172.328.4000109.4R96 C122R96-N124 PolarHBondContact NH1-OD1 3.41Å; C122-N124 PolarHBondContact O-N 2.83Å
125I95.1Very high95.1Very high11 Ų1138.9 Ų38.96%0.05620%0.201CC..  trans-102.2120171.8-55.9-55.7000106.6Y32 L35 A39 V123 M129Y32-I125 HydrophobicContact CD1-CB 4.41Å; Y32-I125 HydrophobicContact CD1-CG2 4.21Å; Y32-I125 HydrophobicContact CE1-CB 4.04Å; Y32-I125 HydrophobicContact CE1-CG2 3.74Å; L35-I125 HydrophobicContact CB-CD1 4.18Å; L35-I125 HydrophobicContact CB-CG1 4.33Å; L35-I125 HydrophobicContact CB-CG2 4.03Å; L35-I125 HydrophobicContact CD1-CG2 3.95Å; A39-I125 HydrophobicContact CB-CD1 3.57Å; V123-I125 HydrophobicContact CG1-CD1 4.17Å; I125-M129 HydrophobicContact CD1-CE 3.7Å
126T93.9Very high95.2Very high49 Ų4939.9 Ų39.930%0.30121%0.21SC..  trans-100.2158.3-178.463.50000111.4A128 M129 A130T126-A128 PolarHBondContact O-N 3.15Å; T126-M129 WeakPolarHBondContact O-CB 3.25Å; T126-M129 PolarHBondContact O-N 3.17Å; T126-M129 WeakPolarHBondContact OG1-CG 3.42Å; T126-M129 PolarHBondContact OG1-N 3.45Å; T126-A130 PolarHBondContact O-N 2.91Å; T126-A130 VanDerWaalsContact O-N 3.11Å
127P94.4Very high95.4Very high26 Ų2633.4 Ų33.417%0.16919%0.185CC..Hα-helixtrans-51.7-38.1171.5-29.437000112.9M129 A130 H131 D331 I332P127-M129 PolarHBondContact O-N 2.75Å; P127-A130 WeakPolarHBondContact O-CB 3.46Å; P127-A130 PolarHBondContact O-N 2.9Å; P127-H131 VanDerWaalsContact O-CB 3.28Å; P127-H131 WeakPolarHBondContact O-CB 3.48Å; P127-H131 PolarHBondContact O-N 2.93Å; P127-D331 WeakPolarHBondContact CB-OD1 3.43Å; P127-I332 HydrophobicContact CB-CD1 4.16Å; P127-I332 HydrophobicContact CG-CB 4.13Å; P127-I332 HydrophobicContact CG-CD1 4.13Å
128A94.4Very high95.4Very high58 Ų5830.6 Ų30.648%0.47917%0.168SC..Hα-helixtrans-61.2-40.1174.900000113.5T126 H131 N132T126-A128 PolarHBondContact O-N 3.15Å; A128-H131 PolarHBondContact O-N 3.16Å; A128-N132 VanDerWaalsContact O-CG 3.26Å; A128-N132 PolarHBondContact O-N 2.83Å; A128-N132 PolarHBondContact O-ND2 3.41Å
129M95.9Very high95.3Very high14 Ų1436.8 Ų36.87%0.06920%0.197CC..Hα-helixtrans-66.7-39.9174.9-68.7171.366.600111.8A39 L46 Y55 I125 T126 P127 L133A39-M129 HydrophobicContact CB-CE 4.16Å; L46-M129 HydrophobicContact CD1-CE 3.9Å; L46-M129 HydrophobicContact CD2-CE 4.17Å; L46-M129 HydrophobicContact CD2-SD 4.27Å; Y55-M129 HydrophobicContact CD1-CE 3.71Å; Y55-M129 HydrophobicContact CD2-CB 4.41Å; Y55-M129 HydrophobicContact CD2-CE 4.17Å; Y55-M129 HydrophobicContact CE1-CE 3.84Å; Y55-M129 HydrophobicContact CE1-CG 4.19Å; Y55-M129 HydrophobicContact CE2-CB 3.76Å; Y55-M129 HydrophobicContact CE2-CE 4.3Å; Y55-M129 HydrophobicContact CE2-CG 4.1Å; Y55-M129 WeakPolarHBondContact CE2-O 3.4Å; Y55-M129 HydrophobicContact CG-CE 3.91Å; I125-M129 HydrophobicContact CD1-CE 3.7Å; T126-M129 WeakPolarHBondContact O-CB 3.25Å; T126-M129 PolarHBondContact O-N 3.17Å; T126-M129 WeakPolarHBondContact OG1-CG 3.42Å; T126-M129 PolarHBondContact OG1-N 3.45Å; P127-M129 PolarHBondContact O-N 2.75Å; M129-L133 PolarHBondContact O-N 3.07Å
130A97Very high95.2Very high6 Ų642.3 Ų42.35%0.0522%0.218CC..Hα-helixtrans-63.3-45.5173.500000111.3Y32 L35 F77 T126 P127 N132 L133 I134Y32-A130 HydrophobicContact CE2-CB 4.25Å; L35-A130 HydrophobicContact CD1-CB 4.23Å; F77-A130 HydrophobicContact CD1-CB 3.72Å; F77-A130 HydrophobicContact CE1-CB 4.16Å; T126-A130 PolarHBondContact O-N 2.91Å; T126-A130 VanDerWaalsContact O-N 3.11Å; P127-A130 WeakPolarHBondContact O-CB 3.46Å; P127-A130 PolarHBondContact O-N 2.9Å; A130-N132 PolarHBondContact O-N 2.81Å; A130-L133 CarbonylContact O-C 3.59Å; A130-L133 WeakPolarHBondContact O-CA 3.32Å; A130-L133 WeakPolarHBondContact O-CB 3.24Å; A130-L133 PolarHBondContact O-N 3.22Å; A130-I134 WeakPolarHBondContact O-CG1 3.47Å; A130-I134 PolarHBondContact O-N 2.96Å
131H96.5Very high95.1Very high20 Ų2043.7 Ų43.79%0.09323%0.232CC..Hα-helixtrans-62.8-39-179.6-169.561.3000113.1P127 A128 L133 I134 K135 G328 D339P127-H131 VanDerWaalsContact O-CB 3.28Å; P127-H131 WeakPolarHBondContact O-CB 3.48Å; P127-H131 PolarHBondContact O-N 2.93Å; A128-H131 PolarHBondContact O-N 3.16Å; H131-L133 VanDerWaalsContact C-N 3.27Å; H131-L133 PolarHBondContact O-N 2.74Å; H131-I134 PolarHBondContact O-N 3.41Å; H131-K135 WeakPolarHBondContact NE2-CE 3.26Å; H131-K135 PolarHBondContact NE2-NZ 3.07Å; H131-K135 PolarHBondContact O-N 3.42Å; H131-G328 PolarHBondContact CE1-O 3.48Å; H131-G328 VanDerWaalsContact CE1-O 3.23Å; H131-G328 PolarHBondContact ND1-O 2.99Å; H131-D339 IonicContact CE1-OD2 3.43Å; H131-D339 PolarHBondContact CE1-OD2 2.86Å; H131-D339 IonicContact NE2-OD2 2.76Å
132N96.6Very high95.2Very high68 Ų6837.8 Ų37.836%0.36421%0.211SC..Hα-helixtrans-58.4-39.1171.5-72.9-16000112Y55 V56 A128 A130 A136Y55-N132 PolarHBondContact OH-ND2 3.16Å; V56-N132 HydrophobicContact CG2-CB 4.16Å; A128-N132 VanDerWaalsContact O-CG 3.26Å; A128-N132 PolarHBondContact O-N 2.83Å; A128-N132 PolarHBondContact O-ND2 3.41Å; A130-N132 PolarHBondContact O-N 2.81Å; N132-A136 PolarHBondContact O-N 2.81Å; N132-A136 VanDerWaalsContact O-N 3.11Å
133L97.8Very high95.3Very high0 Ų037.8 Ų37.80%021%0.21CC..Hα-helixtrans-73.6-38.8175.2179.758.4000112.5T31 L35 V56 C59 M60 F77 M129 A130 H131 K135 A136 A137T31-L133 HydrophobicContact CG2-CD2 3.41Å; T31-L133 VanDerWaalsContact CG2-CD2 3.41Å; T31-L133 HydrophobicContact CG2-CG 4.46Å; L35-L133 HydrophobicContact CD1-CD2 4.38Å; L35-L133 HydrophobicContact CD2-CB 4.4Å; L35-L133 HydrophobicContact CD2-CD2 3.69Å; L35-L133 HydrophobicContact CG-CD2 3.95Å; V56-L133 HydrophobicContact CG1-CD1 4.04Å; C59-L133 HydrophobicContact CB-CD1 3.72Å; C59-L133 HydrophobicContact CB-CD2 3.48Å; C59-L133 VanDerWaalsContact CB-CD2 3.48Å; C59-L133 HydrophobicContact CB-CG 4.28Å; M60-L133 HydrophobicContact CG-CD1 4.05Å; M60-L133 HydrophobicContact SD-CD1 3.74Å; F77-L133 HydrophobicContact CE1-CB 4.38Å; F77-L133 HydrophobicContact CE1-CD2 4.12Å; F77-L133 HydrophobicContact CE1-CG 4.32Å; F77-L133 HydrophobicContact CZ-CD2 4.34Å; F77-L133 HydrophobicContact CZ-CG 4.24Å; M129-L133 PolarHBondContact O-N 3.07Å; A130-L133 CarbonylContact O-C 3.59Å; A130-L133 WeakPolarHBondContact O-CA 3.32Å; A130-L133 WeakPolarHBondContact O-CB 3.24Å; A130-L133 PolarHBondContact O-N 3.22Å; H131-L133 VanDerWaalsContact C-N 3.27Å; H131-L133 PolarHBondContact O-N 2.74Å; L133-K135 VanDerWaalsContact C-N 3.29Å; L133-K135 PolarHBondContact O-N 2.69Å; L133-A136 PolarHBondContact O-N 2.84Å; L133-A137 WeakPolarHBondContact O-CB 3.3Å; L133-A137 PolarHBondContact O-N 2.81Å
134I97.3Very high95.5Very high5 Ų537.3 Ų37.33%0.02621%0.207CC..Hα-helixtrans-55.5-46.6172.2-69170.4000110.1F77 A130 H131 A137 R138 C144 V146F77-I134 HydrophobicContact CD1-CD1 4.49Å; F77-I134 HydrophobicContact CD1-CG1 4.38Å; F77-I134 HydrophobicContact CD2-CD1 4.05Å; F77-I134 HydrophobicContact CD2-CG1 3.92Å; F77-I134 HydrophobicContact CE1-CG1 3.93Å; F77-I134 HydrophobicContact CE2-CD1 4.12Å; F77-I134 HydrophobicContact CE2-CG1 3.45Å; F77-I134 VanDerWaalsContact CE2-CG1 3.45Å; F77-I134 HydrophobicContact CG-CD1 4.26Å; F77-I134 HydrophobicContact CG-CG1 4.37Å; F77-I134 HydrophobicContact CZ-CD1 4.34Å; F77-I134 HydrophobicContact CZ-CG1 3.44Å; F77-I134 VanDerWaalsContact CZ-CG1 3.44Å; A130-I134 WeakPolarHBondContact O-CG1 3.47Å; A130-I134 PolarHBondContact O-N 2.96Å; H131-I134 PolarHBondContact O-N 3.41Å; I134-A137 PolarHBondContact O-N 3.23Å; I134-R138 HydrophobicContact CG2-CG 4.45Å; I134-R138 VanDerWaalsContact CG2-CZ 3.43Å; I134-R138 WeakPolarHBondContact O-CB 3.37Å; I134-R138 WeakPolarHBondContact O-CG 3.49Å; I134-R138 PolarHBondContact O-N 2.85Å; I134-C144 HydrophobicContact CG1-CB 4.33Å; I134-C144 HydrophobicContact CG2-CB 4.11Å; I134-V146 HydrophobicContact CD1-CG2 3.9Å
135K96.2Very high95.6Very high72 Ų7233.3 Ų33.331%0.31319%0.186SC..Hα-helixtrans-63.2-42.5177.3-78.2176.5165.31660112.4H131 L133 Q139 D339H131-K135 WeakPolarHBondContact NE2-CE 3.26Å; H131-K135 PolarHBondContact NE2-NZ 3.07Å; H131-K135 PolarHBondContact O-N 3.42Å; L133-K135 VanDerWaalsContact C-N 3.29Å; L133-K135 PolarHBondContact O-N 2.69Å; K135-Q139 VanDerWaalsContact O-CG 3.29Å; K135-Q139 WeakPolarHBondContact O-CG 3.45Å; K135-Q139 PolarHBondContact O-N 3.12Å; K135-D339 WeakPolarHBondContact CE-OD1 3.21Å; K135-D339 WeakPolarHBondContact CE-OD2 3.34Å; K135-D339 IonicContact NZ-OD1 3.58Å; K135-D339 PolarHBondContact NZ-OD1 2.86Å; K135-D339 IonicContact NZ-OD2 3.8Å; K135-D339 PolarHBondContact NZ-OD2 3.28Å
136A97.2Very high95.8Very high22 Ų2233.2 Ų33.218%0.18219%0.186CC..Hα-helixtrans-67-37.3176.300000113.6V56 M60 N132 L133V56-A136 HydrophobicContact CG1-CB 3.52Å; M60-A136 HydrophobicContact CG-CB 4.22Å; M60-A136 HydrophobicContact SD-CB 4.1Å; N132-A136 PolarHBondContact O-N 2.81Å; N132-A136 VanDerWaalsContact O-N 3.11Å; L133-A136 PolarHBondContact O-N 2.84Å
137A96.7Very high96Very high0 Ų031 Ų310%017%0.172CC..Hα-helixtrans-73.1-41.3178.700000112.2M60 L75 L133 I134 Q139 R140 G141 V142 C144M60-A137 HydrophobicContact SD-CB 4.21Å; L75-A137 HydrophobicContact CD1-CB 3.6Å; L133-A137 WeakPolarHBondContact O-CB 3.3Å; L133-A137 PolarHBondContact O-N 2.81Å; I134-A137 PolarHBondContact O-N 3.23Å; A137-Q139 VanDerWaalsContact C-N 3.26Å; A137-Q139 PolarHBondContact O-N 3.35Å; A137-R140 CarbonylContact O-C 3.55Å; A137-R140 WeakPolarHBondContact O-CA 3.36Å; A137-R140 PolarHBondContact O-N 2.8Å; A137-G141 PolarHBondContact O-N 2.8Å; A137-V142 HydrophobicContact CB-CB 4.25Å; A137-V142 HydrophobicContact CB-CG1 4.39Å; A137-V142 WeakPolarHBondContact O-CB 3.39Å; A137-V142 PolarHBondContact O-N 3.33Å; A137-C144 WeakPolarHBondContact CB-SG 3.34Å
138R94.6Very high96Very high27 Ų2730.2 Ų30.210%0.10217%0.167CC..Hα-helixtrans-60.9-33.1173-74.3177176.3162.34.3112.6I134 R140 G141 C144 L327I134-R138 HydrophobicContact CG2-CG 4.45Å; I134-R138 VanDerWaalsContact CG2-CZ 3.43Å; I134-R138 WeakPolarHBondContact O-CB 3.37Å; I134-R138 WeakPolarHBondContact O-CG 3.49Å; I134-R138 PolarHBondContact O-N 2.85Å; R138-R140 PolarHBondContact O-N 2.63Å; R138-G141 PolarHBondContact O-N 3.46Å; R138-C144 PolarHBondContact NH2-O 2.66Å; R138-L327 VanDerWaalsContact CZ-O 3.22Å; R138-L327 PolarHBondContact NH1-O 3.24Å; R138-L327 PolarHBondContact NH2-O 3.44Å
139Q93.1Very high96.1Very high133 Ų13327.8 Ų27.862%0.62115%0.145SC*.THydrogen-bonded Turntrans-66.2-12.8171.2-72.717122.700114.1K135 A137K135-Q139 VanDerWaalsContact O-CG 3.29Å; K135-Q139 WeakPolarHBondContact O-CG 3.45Å; K135-Q139 PolarHBondContact O-N 3.12Å; A137-Q139 VanDerWaalsContact C-N 3.26Å; A137-Q139 PolarHBondContact O-N 3.35Å
140R93.1Very high96.1Very high118 Ų11827.7 Ų27.745%0.44515%0.145SC..THydrogen-bonded Turntrans-103.87.1171.1-56.6-55-152.87220113.6M60 D64 A137 R138 V142M60-R140 HydrophobicContact CE-CB 4.27Å; M60-R140 HydrophobicContact CE-CG 3.44Å; M60-R140 VanDerWaalsContact CE-CG 3.44Å; D64-R140 IonicContact OD1-CZ 2.81Å; D64-R140 VanDerWaalsContact OD1-CZ 3.24Å; D64-R140 IonicContact OD1-NH1 3.21Å; D64-R140 PolarHBondContact OD1-NH1 3.39Å; D64-R140 IonicContact OD1-NH2 2.63Å; D64-R140 PolarHBondContact OD1-NH2 2.95Å; D64-R140 IonicContact OD2-CZ 2.75Å; D64-R140 IonicContact OD2-NH1 2.8Å; D64-R140 IonicContact OD2-NH2 3.62Å; D64-R140 PolarHBondContact OD2-NH2 2.95Å; A137-R140 CarbonylContact O-C 3.55Å; A137-R140 WeakPolarHBondContact O-CA 3.36Å; A137-R140 PolarHBondContact O-N 2.8Å; R138-R140 PolarHBondContact O-N 2.63Å; R140-V142 HydrophobicContact CB-CG2 4.38Å
141G91.7Very high96.2Very high49 Ų4927.4 Ų27.451%0.50514%0.142SC..THydrogen-bonded Turntrans73.225-177.400000114.2A137 R138A137-G141 PolarHBondContact O-N 2.8Å; R138-G141 PolarHBondContact O-N 3.46Å
142V95.6Very high96.2Very high7 Ų727.2 Ų27.24%0.04214%0.142CC..  trans-92.9133.2179.11720000111V63 L67 P73 L75 A137 R140 C144V63-V142 HydrophobicContact CG1-CG2 3.72Å; L67-V142 HydrophobicContact CD1-CG2 3.99Å; L67-V142 HydrophobicContact CD2-CG2 4.4Å; P73-V142 HydrophobicContact CB-CG1 4.38Å; P73-V142 HydrophobicContact CG-CG1 3.88Å; P73-V142 HydrophobicContact CG-CG2 4.05Å; L75-V142 HydrophobicContact CD1-CG1 4.27Å; L75-V142 HydrophobicContact CG-CG1 3.95Å; A137-V142 HydrophobicContact CB-CB 4.25Å; A137-V142 HydrophobicContact CB-CG1 4.39Å; A137-V142 WeakPolarHBondContact O-CB 3.39Å; A137-V142 PolarHBondContact O-N 3.33Å; R140-V142 HydrophobicContact CB-CG2 4.38Å; V142-C144 PolarHBondContact O-N 3.47Å
143D96.1Very high96.2Very high14 Ų1424 Ų248%0.07513%0.125CC..EExtended strand (participates in β ladder)trans-69.8127.3175.2-73.4-42.5000110.1K72 L75 S368 I369K72-D143 WeakPolarHBondContact CE-OD2 3.29Å; K72-D143 IonicContact NZ-OD2 3.64Å; K72-D143 PolarHBondContact NZ-OD2 3.07Å; L75-D143 PolarHBondContact N-O 3.18Å; D143-S368 WeakPolarHBondContact OD1-CB 3.4Å; D143-S368 PolarHBondContact OD1-OG 3.48Å; D143-S368 WeakPolarHBondContact OD2-CA 3.31Å; D143-I369 HydrophobicContact CB-CD1 3.98Å; D143-I369 HydrophobicContact CB-CG1 3.96Å; D143-I369 HydrophobicContact CB-CG2 4.45Å; D143-I369 PolarHBondContact OD2-N 3.39Å; D143-I369 VanDerWaalsContact OD2-N 3.09Å
144C97.7Very high96.2Very high1 Ų124 Ų241%0.00713%0.125CC..EExtended strand (participates in β ladder)trans-128.6130.1179.2-57.20000109.9L75 F77 I134 A137 R138 V142 W370L75-C144 WeakPolarHBondContact O-CA 3.38Å; F77-C144 HydrophobicContact CE2-CB 4.09Å; I134-C144 HydrophobicContact CG1-CB 4.33Å; I134-C144 HydrophobicContact CG2-CB 4.11Å; A137-C144 WeakPolarHBondContact CB-SG 3.34Å; R138-C144 PolarHBondContact NH2-O 2.66Å; V142-C144 PolarHBondContact O-N 3.47Å; C144-W370 WeakPolarHBondContact O-CZ2 3.49Å
145I97.7Very high96.2Very high0 Ų023.8 Ų23.80%012%0.124CC..EExtended strand (participates in β ladder)trans-130.9134.9179.8-177.8170.3000110.4I74 L75 V76 F77 F288 P290 A326 I369 W370I74-I145 HydrophobicContact CG2-CG2 3.86Å; L75-I145 PolarHBondContact O-N 3.48Å; V76-I145 WeakPolarHBondContact CA-O 3.42Å; V76-I145 HydrophobicContact CB-CG2 4.4Å; V76-I145 HydrophobicContact CG1-CG2 4.44Å; V76-I145 HydrophobicContact CG2-CG2 3.82Å; F77-I145 PolarHBondContact N-O 3.01Å; F77-I145 VanDerWaalsContact N-O 3.07Å; I145-F288 HydrophobicContact CD1-CD1 4.1Å; I145-P290 HydrophobicContact CD1-CB 4.48Å; I145-A326 WeakPolarHBondContact CA-O 3.43Å; I145-A326 HydrophobicContact CG1-CB 4.24Å; I145-I369 HydrophobicContact CB-CD1 4.5Å; I145-W370 HydrophobicContact CB-CH2 4.32Å; I145-W370 HydrophobicContact CB-CZ2 3.99Å; I145-W370 HydrophobicContact CD1-CH2 4.21Å; I145-W370 HydrophobicContact CG1-CH2 4.06Å; I145-W370 HydrophobicContact CG1-CZ2 4.24Å
146V98.1Very high96.3Very high9 Ų920.3 Ų20.36%0.05511%0.109CC..EExtended strand (participates in β ladder)trans-93.7133.4168.8-163.90000108.3F77 D78 I134 M325 A326 I332F77-V146 HydrophobicContact CB-CG1 4.29Å; F77-V146 HydrophobicContact CB-CG2 4.48Å; D78-V146 WeakPolarHBondContact O-CG1 3.48Å; I134-V146 HydrophobicContact CD1-CG2 3.9Å; V146-M325 WeakPolarHBondContact CB-O 3.47Å; V146-M325 WeakPolarHBondContact CG2-O 3.4Å; V146-A326 PolarHBondContact N-O 2.95Å; V146-A326 WeakPolarHBondContact O-CA 3.5Å; V146-I332 HydrophobicContact CG1-CD1 4.24Å
147A97.6Very high96.3Very high1 Ų120.6 Ų20.61%0.00811%0.105CC..  trans-66.8153.6169.900000109.9F77 G79 Y149 E150 Q154F77-A147 PolarHBondContact O-N 2.91Å; G79-A147 VanDerWaalsContact CA-O 3.23Å; G79-A147 WeakPolarHBondContact CA-O 3.43Å; A147-Y149 VanDerWaalsContact C-N 3.26Å; A147-E150 WeakPolarHBondContact CB-O 3.39Å; A147-Q154 HydrophobicContact CB-CB 3.76Å; A147-Q154 HydrophobicContact CB-CG 4.18Å
148P96.1Very high96.3Very high10 Ų1020.6 Ų20.67%0.06511%0.105CC..SBendtrans-68.5-31.4170.128.7-33.9000111.5R80 L286R80-P148 WeakPolarHBondContact CB-O 3.47Å; R80-P148 WeakPolarHBondContact CG-O 3.47Å; R80-P148 PolarHBondContact N-O 3.37Å; P148-L286 WeakPolarHBondContact CG-O 3.34Å
149Y96.2Very high96.4Very high7 Ų719.4 Ų19.43%0.02710%0.101CC..SBendtrans-127.6-109.8175.4-72.6-85.5000110.5G79 R80 L82 A147 L286 T315G79-Y149 WeakPolarHBondContact CA-O 3.45Å; G79-Y149 PolarHBondContact N-O 2.93Å; R80-Y149 HydrophobicContact CB-CD1 3.92Å; R80-Y149 HydrophobicContact CB-CE1 3.78Å; R80-Y149 PolarHBondContact NH1-OH 2.9Å; R80-Y149 WeakPolarHBondContact O-CA 3.47Å; R80-Y149 VanDerWaalsContact O-CD1 3.31Å; R80-Y149 WeakPolarHBondContact O-CD1 3.44Å; L82-Y149 HydrophobicContact CB-CD1 4.26Å; L82-Y149 HydrophobicContact CD1-CD1 3.72Å; L82-Y149 HydrophobicContact CD1-CE1 4.32Å; L82-Y149 HydrophobicContact CD1-CG 3.99Å; A147-Y149 VanDerWaalsContact C-N 3.26Å; Y149-L286 HydrophobicContact CD2-CB 4.19Å; Y149-L286 HydrophobicContact CE2-CB 4.49Å; Y149-L286 HydrophobicContact CE2-CD1 4.42Å; Y149-T315 PolarHBondContact OH-N 3Å; Y149-T315 PolarHBondContact OH-O 2.98Å
150E96.2Very high96.4Very high12 Ų1215.3 Ų15.36%0.0568%0.081CC..  trans-91143.7-175.9-63.1174.296.800112.4D78 L82 K85 A147 D152 Y226 Q285D78-E150 WeakPolarHBondContact OD1-CA 3.18Å; L82-E150 WeakPolarHBondContact CD2-OE2 3.45Å; K85-E150 WeakPolarHBondContact CD-OE1 3.35Å; K85-E150 VanDerWaalsContact CE-OE1 3.26Å; K85-E150 WeakPolarHBondContact CE-OE1 3.46Å; K85-E150 IonicContact NZ-OE1 3.06Å; K85-E150 PolarHBondContact NZ-OE1 3.46Å; A147-E150 WeakPolarHBondContact CB-O 3.39Å; E150-D152 PolarHBondContact O-N 3.33Å; E150-Y226 WeakPolarHBondContact OE2-CE1 3.35Å; E150-Y226 PolarHBondContact OE2-OH 3.43Å; E150-Q285 PolarHBondContact OE2-NE2 3.45Å
151A97.3Very high96.5Very high0 Ų012.3 Ų12.30%08%0.076CC..Hα-helixtrans-59.9-35.3175.400000112V76 D78 A153 Q154 L155V76-A151 HydrophobicContact CG1-CB 3.9Å; D78-A151 WeakPolarHBondContact OD1-CB 3.44Å; D78-A151 PolarHBondContact OD1-N 2.83Å; A151-A153 PolarHBondContact O-N 2.85Å; A151-Q154 CarbonylContact O-C 3.58Å; A151-Q154 WeakPolarHBondContact O-CB 3.48Å; A151-Q154 PolarHBondContact O-N 2.77Å; A151-Q154 VanDerWaalsContact O-N 3.09Å; A151-L155 HydrophobicContact CB-CD1 4.21Å; A151-L155 WeakPolarHBondContact O-CB 3.24Å; A151-L155 WeakPolarHBondContact O-CD1 3.28Å; A151-L155 WeakPolarHBondContact O-CG 3.5Å; A151-L155 PolarHBondContact O-N 2.86Å
152D96.7Very high96.5Very high17 Ų1710.3 Ų10.39%0.0916%0.055CC..Hα-helixtrans-53.4-49.7-177.8-61.5-1.6000112.8E150 L155 A156 L174 F177E150-D152 PolarHBondContact O-N 3.33Å; D152-L155 PolarHBondContact O-N 3.5Å; D152-A156 WeakPolarHBondContact O-CB 3.47Å; D152-A156 PolarHBondContact O-N 3.39Å; D152-L174 HydrophobicContact CB-CD1 3.84Å; D152-L174 HydrophobicContact CB-CG 4.26Å; D152-L174 WeakPolarHBondContact OD1-CD1 3.49Å; D152-F177 HydrophobicContact CB-CD2 3.88Å; D152-F177 HydrophobicContact CB-CE2 3.4Å; D152-F177 HydrophobicContact CB-CZ 4.05Å
153A97.1Very high96.4Very high0 Ų010.4 Ų10.40%06%0.055CC..Hα-helixtrans-67.4-41177.100000111.5A151 L155 A156 Y157 F177 Q285 V287 L298A151-A153 PolarHBondContact O-N 2.85Å; A153-L155 VanDerWaalsContact C-N 3.33Å; A153-L155 PolarHBondContact O-N 2.91Å; A153-A156 PolarHBondContact O-N 2.86Å; A153-Y157 PolarHBondContact O-N 3.42Å; A153-F177 HydrophobicContact CB-CD1 4.29Å; A153-F177 HydrophobicContact CB-CE1 3.83Å; A153-F177 HydrophobicContact CB-CZ 4.28Å; A153-Q285 HydrophobicContact CB-CB 4.16Å; A153-Q285 HydrophobicContact CB-CG 3.96Å; A153-V287 HydrophobicContact CB-CG1 3.65Å; A153-L298 HydrophobicContact CB-CD2 4.31Å; A153-L298 WeakPolarHBondContact O-CD1 3.49Å
154Q98.2Very high96.4Very high0 Ų09.8 Ų9.80%05%0.052CC..Hα-helixtrans-62.7-39.1177.6-174.164.964.100112.1V76 A147 A151 Y157 L158 F288V76-Q154 HydrophobicContact CG1-CB 3.94Å; V76-Q154 HydrophobicContact CG1-CG 3.73Å; A147-Q154 HydrophobicContact CB-CB 3.76Å; A147-Q154 HydrophobicContact CB-CG 4.18Å; A151-Q154 CarbonylContact O-C 3.58Å; A151-Q154 WeakPolarHBondContact O-CB 3.48Å; A151-Q154 PolarHBondContact O-N 2.77Å; A151-Q154 VanDerWaalsContact O-N 3.09Å; Q154-Y157 PolarHBondContact O-N 3.29Å; Q154-L158 HydrophobicContact CG-CD1 4.48Å; Q154-L158 VanDerWaalsContact O-CG 3.28Å; Q154-L158 WeakPolarHBondContact O-CG 3.44Å; Q154-L158 PolarHBondContact O-N 3.46Å; Q154-F288 PolarHBondContact NE2-O 3.5Å; Q154-F288 PolarHBondContact OE1-O 2.9Å
155L98.1Very high96.3Very high0 Ų012.5 Ų12.50%07%0.065CC..Hα-helixtrans-68.1-40.7176.1-71.3164.7000111.6A28 D30 V76 A151 D152 A153 T159 V167 L174A28-L155 HydrophobicContact CB-CD2 3.5Å; A28-L155 VanDerWaalsContact CB-CD2 3.5Å; D30-L155 HydrophobicContact CB-CD1 3.73Å; V76-L155 HydrophobicContact CB-CD2 3.8Å; V76-L155 HydrophobicContact CB-CG 4.07Å; V76-L155 HydrophobicContact CG1-CD2 4.43Å; V76-L155 HydrophobicContact CG1-CG 4.21Å; V76-L155 HydrophobicContact CG2-CD2 3.41Å; V76-L155 VanDerWaalsContact CG2-CD2 3.41Å; V76-L155 HydrophobicContact CG2-CG 4.07Å; A151-L155 HydrophobicContact CB-CD1 4.21Å; A151-L155 WeakPolarHBondContact O-CB 3.24Å; A151-L155 WeakPolarHBondContact O-CD1 3.28Å; A151-L155 WeakPolarHBondContact O-CG 3.5Å; A151-L155 PolarHBondContact O-N 2.86Å; D152-L155 PolarHBondContact O-N 3.5Å; A153-L155 VanDerWaalsContact C-N 3.33Å; A153-L155 PolarHBondContact O-N 2.91Å; L155-T159 WeakPolarHBondContact O-CB 3.32Å; L155-T159 PolarHBondContact O-N 2.8Å; L155-T159 VanDerWaalsContact O-N 3.16Å; L155-T159 PolarHBondContact O-OG1 3.36Å; L155-V167 HydrophobicContact CB-CG1 4.13Å; L155-V167 HydrophobicContact CB-CG2 4.07Å; L155-V167 HydrophobicContact CD1-CG1 4.02Å; L155-V167 HydrophobicContact CD2-CG1 3.86Å; L155-V167 HydrophobicContact CD2-CG2 4.43Å; L155-V167 HydrophobicContact CG-CG1 4.23Å; L155-L174 HydrophobicContact CB-CD2 3.81Å; L155-L174 HydrophobicContact CD1-CD2 3.9Å; L155-L174 HydrophobicContact CG-CD2 4.47Å
156A97.3Very high96.3Very high0 Ų012.5 Ų12.50%07%0.065CC..Hα-helixtrans-62.2-44.2171.800000111.9D152 A153 T159 K160 F177 C179 L298D152-A156 WeakPolarHBondContact O-CB 3.47Å; D152-A156 PolarHBondContact O-N 3.39Å; A153-A156 PolarHBondContact O-N 2.86Å; A156-T159 PolarHBondContact O-N 3.09Å; A156-K160 WeakPolarHBondContact O-CB 3.38Å; A156-K160 WeakPolarHBondContact O-CG 3.36Å; A156-K160 PolarHBondContact O-N 2.8Å; A156-F177 HydrophobicContact CB-CB 3.61Å; A156-F177 HydrophobicContact CB-CG 4.42Å; A156-C179 WeakPolarHBondContact CA-SG 3.4Å; A156-L298 HydrophobicContact CB-CD1 3.97Å; A156-L298 HydrophobicContact CB-CD2 4.26Å
157Y97.6Very high96.3Very high27 Ų2712 Ų1211%0.1066%0.062CC..Hα-helixtrans-59.1-51.9177.3-178.7-94000111.8A153 Q154 T159 K160 T161 V287 D289 V296 L298A153-Y157 PolarHBondContact O-N 3.42Å; Q154-Y157 PolarHBondContact O-N 3.29Å; Y157-T159 PolarHBondContact O-N 3Å; Y157-K160 PolarHBondContact O-N 3.43Å; Y157-T161 HydrophobicContact CD1-CG2 4.37Å; Y157-T161 HydrophobicContact CD2-CG2 4.25Å; Y157-T161 HydrophobicContact CE1-CG2 3.92Å; Y157-T161 HydrophobicContact CE2-CG2 3.83Å; Y157-T161 WeakPolarHBondContact O-CB 3.45Å; Y157-T161 PolarHBondContact O-N 3.24Å; Y157-T161 PolarHBondContact O-OG1 3.44Å; Y157-V287 HydrophobicContact CD1-CG2 4.46Å; Y157-V287 HydrophobicContact CD2-CG2 3.62Å; Y157-V287 HydrophobicContact CE2-CG2 4.23Å; Y157-V287 HydrophobicContact CG-CB 4.46Å; Y157-V287 HydrophobicContact CG-CG2 3.74Å; Y157-D289 HydrophobicContact CE1-CB 4.15Å; Y157-D289 WeakPolarHBondContact OH-CB 3.46Å; Y157-D289 PolarHBondContact OH-OD2 2.66Å; Y157-V296 HydrophobicContact CE2-CG2 3.99Å; Y157-L298 HydrophobicContact CD2-CD1 4.42Å
158L96.9Very high96.3Very high0 Ų012.1 Ų12.10%06%0.062CC..Hα-helixtrans-59.1-32.8179.5-68.4168.2000112.5A28 I74 V76 Q154 G162 F163 A164 P290A28-L158 HydrophobicContact CB-CD1 4.33Å; I74-L158 HydrophobicContact CG2-CD1 4.43Å; V76-L158 HydrophobicContact CG2-CD1 3.89Å; Q154-L158 HydrophobicContact CG-CD1 4.48Å; Q154-L158 VanDerWaalsContact O-CG 3.28Å; Q154-L158 WeakPolarHBondContact O-CG 3.44Å; Q154-L158 PolarHBondContact O-N 3.46Å; L158-G162 PolarHBondContact O-N 3.48Å; L158-F163 HydrophobicContact CB-CB 4.24Å; L158-F163 HydrophobicContact CD2-CB 3.61Å; L158-F163 HydrophobicContact CD2-CD1 4.44Å; L158-F163 HydrophobicContact CD2-CD2 4.3Å; L158-F163 HydrophobicContact CD2-CG 3.89Å; L158-F163 PolarHBondContact O-N 3.29Å; L158-A164 PolarHBondContact O-N 3.01Å; L158-A164 VanDerWaalsContact O-N 3.16Å; L158-P290 HydrophobicContact CD2-CG 4.07Å
159T95.6Very high96.4Very high2 Ų211.7 Ų11.71%0.0126%0.06CC..Hα-helixtrans-82-36178.8-52.60000112.4L155 A156 Y157 V167 K180L155-T159 WeakPolarHBondContact O-CB 3.32Å; L155-T159 PolarHBondContact O-N 2.8Å; L155-T159 VanDerWaalsContact O-N 3.16Å; L155-T159 PolarHBondContact O-OG1 3.36Å; A156-T159 PolarHBondContact O-N 3.09Å; Y157-T159 PolarHBondContact O-N 3Å; T159-V167 WeakPolarHBondContact OG1-CG2 3.37Å; T159-K180 HydrophobicContact CG2-CB 3.99Å; T159-K180 HydrophobicContact CG2-CD 4.49Å; T159-K180 HydrophobicContact CG2-CG 4.33Å; T159-K180 WeakPolarHBondContact O-CE 3.22Å; T159-K180 PolarHBondContact O-NZ 3.1Å
160K93.9Very high96.3Very high47 Ų4714 Ų1420%0.2047%0.071CC..Hα-helixtrans-66.2-44.6174.3-83.5-179.1152.3172.30111.3A156 Y157 F177 G178 K180 E212 N299A156-K160 WeakPolarHBondContact O-CB 3.38Å; A156-K160 WeakPolarHBondContact O-CG 3.36Å; A156-K160 PolarHBondContact O-N 2.8Å; Y157-K160 PolarHBondContact O-N 3.43Å; K160-F177 PolarHBondContact NZ-O 3.27Å; K160-F177 VanDerWaalsContact NZ-O 3.12Å; K160-G178 WeakPolarHBondContact CE-O 3.3Å; K160-K180 PolarHBondContact O-NZ 3.41Å; K160-E212 IonicContact NZ-OE1 2.7Å; K160-E212 PolarHBondContact NZ-OE1 3.36Å; K160-E212 IonicContact NZ-OE2 2.81Å; K160-N299 PolarHBondContact NZ-OD1 2.8Å
161T93.8Very high96.1Very high55 Ų5514.4 Ų14.434%0.3377%0.073SC..Hα-helixtrans-81.6-19.1179.953.10000115.2Y157 F163 P376Y157-T161 HydrophobicContact CD1-CG2 4.37Å; Y157-T161 HydrophobicContact CD2-CG2 4.25Å; Y157-T161 HydrophobicContact CE1-CG2 3.92Å; Y157-T161 HydrophobicContact CE2-CG2 3.83Å; Y157-T161 WeakPolarHBondContact O-CB 3.45Å; Y157-T161 PolarHBondContact O-N 3.24Å; Y157-T161 PolarHBondContact O-OG1 3.44Å; T161-F163 WeakPolarHBondContact OG1-CD2 3.25Å; T161-P376 WeakPolarHBondContact O-CB 3.36Å
162G92.8Very high95.8Very high7 Ų715.1 Ų15.17%0.0728%0.078CC..THydrogen-bonded Turntrans94.413.2173.700000115.8L158 A164 Q165 G377L158-G162 PolarHBondContact O-N 3.48Å; G162-A164 PolarHBondContact O-N 3.2Å; G162-Q165 PolarHBondContact O-NE2 2.99Å; G162-G377 PolarHBondContact O-N 3.26Å
163F93.9Very high95.5Very high9 Ų914.6 Ų14.64%0.0398%0.075CC..SBendtrans-64-29166.8-74.9-101.1000111.9T26 L158 T161 P290 I369 F374 P376T26-F163 WeakPolarHBondContact CB-O 3.04Å; T26-F163 VanDerWaalsContact CG2-O 3.29Å; T26-F163 WeakPolarHBondContact CG2-O 3.41Å; L158-F163 HydrophobicContact CB-CB 4.24Å; L158-F163 HydrophobicContact CD2-CB 3.61Å; L158-F163 HydrophobicContact CD2-CD1 4.44Å; L158-F163 HydrophobicContact CD2-CD2 4.3Å; L158-F163 HydrophobicContact CD2-CG 3.89Å; L158-F163 PolarHBondContact O-N 3.29Å; T161-F163 WeakPolarHBondContact OG1-CD2 3.25Å; F163-P290 HydrophobicContact CD1-CG 3.91Å; F163-P290 HydrophobicContact CE1-CB 4.49Å; F163-P290 HydrophobicContact CE1-CG 3.6Å; F163-P290 HydrophobicContact CE2-CG 4.43Å; F163-P290 HydrophobicContact CG-CG 4.48Å; F163-P290 HydrophobicContact CZ-CG 3.88Å; F163-I369 HydrophobicContact CD1-CB 4.37Å; F163-I369 HydrophobicContact CD1-CG2 4.42Å; F163-F374 HydrophobicContact CB-CE1 4.24Å; F163-F374 AromaticContact CD1-CD1 3.56Å; F163-F374 HydrophobicContact CD1-CD1 3.56Å; F163-F374 AromaticContact CD1-CE1 3.13Å; F163-F374 HydrophobicContact CD1-CE1 3.13Å; F163-F374 AromaticContact CD1-CZ 3.92Å; F163-F374 HydrophobicContact CD1-CZ 3.92Å; F163-F374 AromaticContact CE1-CD1 3.41Å; F163-F374 HydrophobicContact CE1-CD1 3.41Å; F163-F374 VanDerWaalsContact CE1-CD1 3.41Å; F163-F374 AromaticContact CE1-CE1 3.53Å; F163-F374 HydrophobicContact CE1-CE1 3.53Å; F163-F374 HydrophobicContact CE1-CG 4.44Å; F163-F374 AromaticContact CG-CE1 3.78Å; F163-F374 HydrophobicContact CG-CE1 3.78Å; F163-F374 HydrophobicContact CZ-CD1 4.32Å; F163-F374 HydrophobicContact CZ-CE1 4.46Å; F163-P376 HydrophobicContact CD2-CB 4.31Å; F163-P376 HydrophobicContact CD2-CG 4.08Å; F163-P376 HydrophobicContact CE2-CB 4.4Å; F163-P376 HydrophobicContact CE2-CG 3.69Å; F163-P376 HydrophobicContact CZ-CG 3.92Å
164A96.1Very high95.3Very high2 Ų214.6 Ų14.62%0.0178%0.075CC..  trans-129.6149.1172.100000111.6T26 A28 L158 G162T26-A164 CarbonylContact O-C 3.51Å; T26-A164 WeakPolarHBondContact O-CA 3.37Å; A28-A164 HydrophobicContact CB-CB 3.76Å; L158-A164 PolarHBondContact O-N 3.01Å; L158-A164 VanDerWaalsContact O-N 3.16Å; G162-A164 PolarHBondContact O-N 3.2Å
165Q95.8Very high95.1Very high57 Ų5715 Ų1527%0.2668%0.077SC..SBendtrans-91.2-23.4178.7-73.968.364.100112.6Y22 Q25 T26 G162Y22-Q165 HydrophobicContact CD1-CB 4.38Å; Q25-Q165 HydrophobicContact CB-CB 4.48Å; Q25-Q165 HydrophobicContact CB-CG 4.32Å; T26-Q165 PolarHBondContact O-N 2.96Å; T26-Q165 PolarHBondContact O-OE1 2.86Å; G162-Q165 PolarHBondContact O-NE2 2.99Å
166A97.1Very high95Very high0 Ų015 Ų150%08%0.077CC..EExtended strand (participates in β ladder)trans-152.9166172.900000111.2Y22 V27 A28 T181 I183Y22-A166 HydrophobicContact CD1-CB 4.24Å; Y22-A166 HydrophobicContact CE1-CB 3.62Å; Y22-A166 HydrophobicContact CE2-CB 4.5Å; V27-A166 WeakPolarHBondContact CA-O 3.46Å; V27-A166 WeakPolarHBondContact CG1-O 3.23Å; A28-A166 PolarHBondContact N-O 3.11Å; A166-T181 WeakPolarHBondContact CA-O 3.5Å; A166-T181 HydrophobicContact CB-CG2 4.03Å; A166-I183 HydrophobicContact CB-CD1 4.03Å; A166-I183 HydrophobicContact CB-CG1 4.29Å
167V98.1Very high94.9Very high0 Ų015 Ų150%08%0.077CC..EExtended strand (participates in β ladder)trans-112.7139.5172.3-179.20000111.1A28 L155 T159 T169 L174 T181 V182 I183A28-V167 CarbonylContact O-C 3.56Å; A28-V167 VanDerWaalsContact O-CA 3.31Å; A28-V167 WeakPolarHBondContact O-CA 3.43Å; L155-V167 HydrophobicContact CB-CG1 4.13Å; L155-V167 HydrophobicContact CB-CG2 4.07Å; L155-V167 HydrophobicContact CD1-CG1 4.02Å; L155-V167 HydrophobicContact CD2-CG1 3.86Å; L155-V167 HydrophobicContact CD2-CG2 4.43Å; L155-V167 HydrophobicContact CG-CG1 4.23Å; T159-V167 WeakPolarHBondContact OG1-CG2 3.37Å; V167-T169 HydrophobicContact CG1-CG2 4.41Å; V167-L174 HydrophobicContact CB-CD2 4.2Å; V167-L174 HydrophobicContact CG1-CD2 3.51Å; V167-L174 HydrophobicContact CG2-CD2 4.37Å; V167-T181 PolarHBondContact N-O 3Å; V167-V182 CarbonylContact O-C 3.59Å; V167-I183 PolarHBondContact O-N 3.44Å
168I98.1Very high94.6Very high2 Ų213.7 Ų13.71%0.017%0.072CC..EExtended strand (participates in β ladder)trans-101.6125.6164.2-63.4159.2000109.4V27 A28 V29 D30 W34 L66 I183 M186V27-I168 HydrophobicContact CG1-CD1 3.57Å; V27-I168 HydrophobicContact CG1-CG1 3.72Å; A28-I168 PolarHBondContact O-N 3.05Å; V29-I168 HydrophobicContact CG2-CB 4.47Å; V29-I168 HydrophobicContact CG2-CD1 4.3Å; D30-I168 PolarHBondContact N-O 2.85Å; W34-I168 HydrophobicContact CZ2-CG2 4.07Å; L66-I168 HydrophobicContact CD1-CD1 3.97Å; L66-I168 HydrophobicContact CD2-CD1 4.05Å; I168-I183 WeakPolarHBondContact CA-O 3.45Å; I168-I183 HydrophobicContact CG1-CB 4.11Å; I168-I183 HydrophobicContact CG1-CD1 4.19Å; I168-I183 HydrophobicContact CG1-CG2 4.48Å; I168-M186 HydrophobicContact CD1-CE 4.13Å; I168-M186 HydrophobicContact CD1-SD 3.65Å; I168-M186 HydrophobicContact CG1-SD 4.09Å; I168-M186 HydrophobicContact CG2-CB 4.25Å; I168-M186 HydrophobicContact CG2-CE 4.05Å; I168-M186 HydrophobicContact CG2-SD 4.1Å
169T97Very high94.5Very high2 Ų213.7 Ų13.71%0.0127%0.072CC..  trans-155.6-178.9175.2179.40000109.7D30 V167 D171 L174 V182 I183 L184D30-T169 PolarHBondContact OD2-OG1 3.35Å; V167-T169 HydrophobicContact CG1-CG2 4.41Å; T169-D171 WeakPolarHBondContact CG2-O 3.47Å; T169-D171 PolarHBondContact OG1-N 2.98Å; T169-L174 HydrophobicContact CG2-CD1 4.27Å; T169-L174 HydrophobicContact CG2-CD2 4Å; T169-V182 HydrophobicContact CG2-CG1 3.65Å; T169-I183 PolarHBondContact N-O 2.92Å; T169-I183 VanDerWaalsContact N-O 3.16Å; T169-L184 HydrophobicContact CG2-CD2 3.86Å; T169-L184 WeakPolarHBondContact O-CA 3.27Å
170E93.9Very high94.3Very high55 Ų5517.3 Ų17.326%0.2579%0.088SC..SBendtrans-110.1-9.5158.9-61.8-64.2168.200112.8C33 K37 K185C33-E170 HydrophobicContact CB-CG 4.49Å; C33-E170 PolarHBondContact SG-N 3.09Å; C33-E170 VanDerWaalsContact SG-N 3.36Å; K37-E170 IonicContact NZ-OE1 2.74Å; K37-E170 PolarHBondContact NZ-OE1 3.45Å; E170-K185 VanDerWaalsContact OE1-CA 3.25Å; E170-K185 WeakPolarHBondContact OE1-CA 3.46Å; E170-K185 PolarHBondContact OE1-N 3.38Å; E170-K185 WeakPolarHBondContact OE2-CA 3.43Å; E170-K185 VanDerWaalsContact OE2-CG 3.29Å; E170-K185 WeakPolarHBondContact OE2-CG 3.2Å; E170-K185 PolarHBondContact OE2-N 2.62Å
171D92.8Very high94.3Very high21 Ų2115.6 Ų15.611%0.1128%0.081CC..  trans-94.1122.8-171.5-80.617.3000110.7M1 T169 D173M1-D171 PolarHBondContact N-OD1 3.32Å; M1-D171 PolarHBondContact N-OD2 3.46Å; T169-D171 WeakPolarHBondContact CG2-O 3.47Å; T169-D171 PolarHBondContact OG1-N 2.98Å; D171-D173 VanDerWaalsContact C-N 3.25Å; D171-D173 PolarHBondContact O-N 3.36Å
172S90.8Very high94.5Very high14 Ų1413 Ų1310%0.0987%0.065CC..G310 helixtrans-77.7-9-172.250.40000114.3L174 L175S172-L174 PolarHBondContact O-N 2.98Å; S172-L175 WeakPolarHBondContact O-CB 3.41Å; S172-L175 PolarHBondContact O-N 2.9Å; S172-L175 VanDerWaalsContact O-N 3.15Å
173D90.3Very high94.7Very high7 Ų712.7 Ų12.74%0.0376%0.062CC..G310 helixtrans-73.1-20.3-170.4-67.334.9000112.1G2 I3 D171 L175 A176 F177G2-D173 WeakPolarHBondContact CA-OD1 3.24Å; G2-D173 WeakPolarHBondContact CA-OD2 3.38Å; I3-D173 HydrophobicContact CD1-CB 4.03Å; I3-D173 VanDerWaalsContact CD1-CG 3.44Å; I3-D173 WeakPolarHBondContact CD1-OD1 3.42Å; I3-D173 WeakPolarHBondContact CG1-OD2 3.43Å; I3-D173 PolarHBondContact N-OD1 2.97Å; I3-D173 PolarHBondContact N-OD2 2.65Å; D171-D173 VanDerWaalsContact C-N 3.25Å; D171-D173 PolarHBondContact O-N 3.36Å; D173-L175 PolarHBondContact O-N 3.27Å; D173-L175 VanDerWaalsContact O-N 3.13Å; D173-A176 WeakPolarHBondContact O-CA 3.4Å; D173-A176 WeakPolarHBondContact O-CB 3.29Å; D173-A176 PolarHBondContact O-N 2.86Å; D173-F177 WeakPolarHBondContact O-CD2 3.36Å; D173-F177 PolarHBondContact O-N 2.85Å
174L94.1Very high94.8Very high0 Ų012.3 Ų12.30%06%0.06CC..G310 helixtrans-54.7-27.1168.2-82.479.4000113.4D152 L155 V167 T169 S172 A176 F177 G178 C179 V182D152-L174 HydrophobicContact CB-CD1 3.84Å; D152-L174 HydrophobicContact CB-CG 4.26Å; D152-L174 WeakPolarHBondContact OD1-CD1 3.49Å; L155-L174 HydrophobicContact CB-CD2 3.81Å; L155-L174 HydrophobicContact CD1-CD2 3.9Å; L155-L174 HydrophobicContact CG-CD2 4.47Å; V167-L174 HydrophobicContact CB-CD2 4.2Å; V167-L174 HydrophobicContact CG1-CD2 3.51Å; V167-L174 HydrophobicContact CG2-CD2 4.37Å; T169-L174 HydrophobicContact CG2-CD1 4.27Å; T169-L174 HydrophobicContact CG2-CD2 4Å; S172-L174 PolarHBondContact O-N 2.98Å; L174-A176 VanDerWaalsContact C-N 3.34Å; L174-F177 PolarHBondContact O-N 3.3Å; L174-G178 PolarHBondContact O-N 3.17Å; L174-C179 HydrophobicContact CB-CB 4.29Å; L174-C179 VanDerWaalsContact O-CB 3.24Å; L174-C179 WeakPolarHBondContact O-CB 3.4Å; L174-C179 PolarHBondContact O-N 3.48Å; L174-C179 PolarHBondContact O-SG 3.04Å; L174-V182 HydrophobicContact CB-CG2 4.34Å
175L93.8Very high94.8Very high7 Ų718.1 Ų18.14%0.0379%0.085CC..G310 helixtrans-69-31.2172.6-63.9171.6000112.2L10 S172 D173 G178 V182 I195 F215L10-L175 HydrophobicContact CD1-CD1 3.78Å; S172-L175 WeakPolarHBondContact O-CB 3.41Å; S172-L175 PolarHBondContact O-N 2.9Å; S172-L175 VanDerWaalsContact O-N 3.15Å; D173-L175 PolarHBondContact O-N 3.27Å; D173-L175 VanDerWaalsContact O-N 3.13Å; L175-G178 PolarHBondContact O-N 3.35Å; L175-V182 HydrophobicContact CD2-CB 4.24Å; L175-V182 HydrophobicContact CD2-CG2 3.7Å; L175-V182 HydrophobicContact CG-CG2 4.27Å; L175-I195 HydrophobicContact CD1-CD1 4.09Å; L175-I195 HydrophobicContact CD1-CG2 4.09Å; L175-I195 HydrophobicContact CD2-CB 4.44Å; L175-I195 HydrophobicContact CD2-CG2 4Å; L175-F215 HydrophobicContact CB-CE1 3.72Å; L175-F215 HydrophobicContact CB-CZ 4.02Å
176A94.6Very high94.8Very high0 Ų015.7 Ų15.70%07%0.074CC..THydrogen-bonded Turntrans-78.3-25.6177.400000112.9I3 D173 L174 G178 C219 F282I3-A176 HydrophobicContact CD1-CB 4.12Å; D173-A176 WeakPolarHBondContact O-CA 3.4Å; D173-A176 WeakPolarHBondContact O-CB 3.29Å; D173-A176 PolarHBondContact O-N 2.86Å; L174-A176 VanDerWaalsContact C-N 3.34Å; A176-G178 PolarHBondContact O-N 2.83Å; A176-C219 HydrophobicContact CB-CB 3.94Å; A176-F282 HydrophobicContact CB-CD1 4.11Å; A176-F282 HydrophobicContact CB-CE1 3.74Å; A176-F282 HydrophobicContact CB-CZ 4.11Å
177F95.4Very high94.7Very high1 Ų118.2 Ų18.20%0.0049%0.087CC..THydrogen-bonded Turntrans-72.3-11.4166.3-75.2-76.5000113.9D152 A153 A156 K160 D173 L174 Y226 F282 L298D152-F177 HydrophobicContact CB-CD2 3.88Å; D152-F177 HydrophobicContact CB-CE2 3.4Å; D152-F177 HydrophobicContact CB-CZ 4.05Å; A153-F177 HydrophobicContact CB-CD1 4.29Å; A153-F177 HydrophobicContact CB-CE1 3.83Å; A153-F177 HydrophobicContact CB-CZ 4.28Å; A156-F177 HydrophobicContact CB-CB 3.61Å; A156-F177 HydrophobicContact CB-CG 4.42Å; K160-F177 PolarHBondContact NZ-O 3.27Å; K160-F177 VanDerWaalsContact NZ-O 3.12Å; D173-F177 WeakPolarHBondContact O-CD2 3.36Å; D173-F177 PolarHBondContact O-N 2.85Å; L174-F177 PolarHBondContact O-N 3.3Å; F177-Y226 HydrophobicContact CZ-CE2 4.33Å; F177-Y226 WeakPolarHBondContact CZ-OH 3.47Å; F177-F282 AromaticContact CD1-CD1 3.75Å; F177-F282 HydrophobicContact CD1-CD1 3.75Å; F177-F282 WeakPolarHBondContact CD1-O 3.49Å; F177-F282 AromaticContact CD2-CD1 3.73Å; F177-F282 HydrophobicContact CD2-CD1 3.73Å; F177-F282 AromaticContact CD2-CE1 3.75Å; F177-F282 HydrophobicContact CD2-CE1 3.75Å; F177-F282 AromaticContact CE1-CD1 3.78Å; F177-F282 HydrophobicContact CE1-CD1 3.78Å; F177-F282 HydrophobicContact CE1-CE1 4.47Å; F177-F282 AromaticContact CE2-CD1 3.73Å; F177-F282 HydrophobicContact CE2-CD1 3.73Å; F177-F282 AromaticContact CE2-CE1 3.61Å; F177-F282 HydrophobicContact CE2-CE1 3.61Å; F177-F282 AromaticContact CG-CD1 3.76Å; F177-F282 HydrophobicContact CG-CD1 3.76Å; F177-F282 HydrophobicContact CG-CE1 4.26Å; F177-F282 AromaticContact CZ-CD1 3.78Å; F177-F282 HydrophobicContact CZ-CD1 3.78Å; F177-F282 HydrophobicContact CZ-CE1 4.02Å; F177-L298 HydrophobicContact CB-CD2 4.31Å; F177-L298 HydrophobicContact CD1-CD2 3.49Å; F177-L298 VanDerWaalsContact CD1-CD2 3.49Å; F177-L298 HydrophobicContact CE1-CD2 4.23Å; F177-L298 HydrophobicContact CG-CD2 4.36Å
178G92.4Very high94.5Very high0 Ų024.1 Ų24.10%011%0.113CC..THydrogen-bonded Turntrans85.535.4-178.500000114.4K160 L174 L175 A176 K180K160-G178 WeakPolarHBondContact CE-O 3.3Å; L174-G178 PolarHBondContact O-N 3.17Å; L175-G178 PolarHBondContact O-N 3.35Å; A176-G178 PolarHBondContact O-N 2.83Å; G178-K180 PolarHBondContact O-N 3.32Å
179C94.4Very high94.3Very high0 Ų029.7 Ų29.70%014%0.139CC..  trans-63.7125.5165.9-72.70000110.7A156 L174 T181 V182A156-C179 WeakPolarHBondContact CA-SG 3.4Å; L174-C179 HydrophobicContact CB-CB 4.29Å; L174-C179 VanDerWaalsContact O-CB 3.24Å; L174-C179 WeakPolarHBondContact O-CB 3.4Å; L174-C179 PolarHBondContact O-N 3.48Å; L174-C179 PolarHBondContact O-SG 3.04Å; C179-T181 PolarHBondContact O-N 3.43Å; C179-V182 HydrophobicContact CB-CG2 3.49Å; C179-V182 VanDerWaalsContact CB-CG2 3.49Å
180K90.8Very high94.2Very high78 Ų7829.6 Ų29.634%0.33914%0.138SC..SBendtrans-63.3-42-180-61.5170.6-172.6153.10112.5T159 K160 G178 D196 Q197T159-K180 HydrophobicContact CG2-CB 3.99Å; T159-K180 HydrophobicContact CG2-CD 4.49Å; T159-K180 HydrophobicContact CG2-CG 4.33Å; T159-K180 WeakPolarHBondContact O-CE 3.22Å; T159-K180 PolarHBondContact O-NZ 3.1Å; K160-K180 PolarHBondContact O-NZ 3.41Å; G178-K180 PolarHBondContact O-N 3.32Å; K180-D196 CarbonylContact O-C 3.58Å; K180-D196 WeakPolarHBondContact O-CA 3.33Å; K180-Q197 PolarHBondContact O-N 2.95Å
181T95.4Very high94.4Very high11 Ų1130.4 Ų30.47%0.06714%0.144CC..EExtended strand (participates in β ladder)trans-145.2122.8-176.1-50.50000110.6Y22 A166 V167 C179 E194 I195Y22-T181 WeakPolarHBondContact OH-CG2 3.24Å; A166-T181 WeakPolarHBondContact CA-O 3.5Å; A166-T181 HydrophobicContact CB-CG2 4.03Å; V167-T181 PolarHBondContact N-O 3Å; C179-T181 PolarHBondContact O-N 3.43Å; T181-E194 HydrophobicContact CG2-CG 3.58Å; T181-I195 WeakPolarHBondContact CA-O 3.47Å
182V97Very high94.6Very high0 Ų029.8 Ų29.80%014%0.144CC..EExtended strand (participates in β ladder)trans-125.2131.6-177.1-173.10000110.1V167 T169 L174 L175 C179 L184 E194 I195V167-V182 CarbonylContact O-C 3.59Å; T169-V182 HydrophobicContact CG2-CG1 3.65Å; L174-V182 HydrophobicContact CB-CG2 4.34Å; L175-V182 HydrophobicContact CD2-CB 4.24Å; L175-V182 HydrophobicContact CD2-CG2 3.7Å; L175-V182 HydrophobicContact CG-CG2 4.27Å; C179-V182 HydrophobicContact CB-CG2 3.49Å; C179-V182 VanDerWaalsContact CB-CG2 3.49Å; V182-L184 HydrophobicContact CG1-CD2 3.84Å; V182-L184 HydrophobicContact CG1-CG 4.09Å; V182-E194 CarbonylContact O-C 3.56Å; V182-E194 WeakPolarHBondContact O-CA 3.36Å; V182-I195 PolarHBondContact N-O 2.84Å; V182-I195 PolarHBondContact O-N 3.4Å
183I97.4Very high94.9Very high0 Ų031.5 Ų31.50%015%0.151CC..EExtended strand (participates in β ladder)trans-108.8111179.4-52174.5000108V17 V19 Y22 A166 V167 I168 T169 E194V17-I183 HydrophobicContact CG1-CG2 4.25Å; V19-I183 HydrophobicContact CG1-CD1 4.26Å; Y22-I183 HydrophobicContact CD2-CD1 3.98Å; Y22-I183 HydrophobicContact CE2-CD1 3.56Å; Y22-I183 HydrophobicContact CE2-CG1 4.5Å; A166-I183 HydrophobicContact CB-CD1 4.03Å; A166-I183 HydrophobicContact CB-CG1 4.29Å; V167-I183 PolarHBondContact O-N 3.44Å; I168-I183 WeakPolarHBondContact CA-O 3.45Å; I168-I183 HydrophobicContact CG1-CB 4.11Å; I168-I183 HydrophobicContact CG1-CD1 4.19Å; I168-I183 HydrophobicContact CG1-CG2 4.48Å; T169-I183 PolarHBondContact N-O 2.92Å; T169-I183 VanDerWaalsContact N-O 3.16Å; I183-E194 HydrophobicContact CG1-CG 4.48Å
184L96.2Very high95.1Very high1 Ų131.5 Ų31.51%0.00515%0.151CC..EExtended strand (participates in β ladder)trans-104.9159-177-60.3170.9000111L7 T169 V182 M186 I193 I195L7-L184 HydrophobicContact CD1-CD1 3.87Å; L7-L184 HydrophobicContact CD2-CD1 4.3Å; T169-L184 HydrophobicContact CG2-CD2 3.86Å; T169-L184 WeakPolarHBondContact O-CA 3.27Å; V182-L184 HydrophobicContact CG1-CD2 3.84Å; V182-L184 HydrophobicContact CG1-CG 4.09Å; L184-M186 VanDerWaalsContact C-N 3.28Å; L184-M186 PolarHBondContact O-N 2.91Å; L184-I193 PolarHBondContact N-O 2.77Å; L184-I193 PolarHBondContact O-N 3.27Å; L184-I195 HydrophobicContact CD1-CD1 4.03Å
185K94.8Very high95.2Very high124 Ų12431.5 Ų31.554%0.53915%0.151SC..SBendtrans5536.8172.8-63.2-177.7177.8174.50114.9L7 E170 I193L7-K185 HydrophobicContact CD2-CD 4.14Å; L7-K185 VanDerWaalsContact CD2-CE 3.48Å; E170-K185 VanDerWaalsContact OE1-CA 3.25Å; E170-K185 WeakPolarHBondContact OE1-CA 3.46Å; E170-K185 PolarHBondContact OE1-N 3.38Å; E170-K185 WeakPolarHBondContact OE2-CA 3.43Å; E170-K185 VanDerWaalsContact OE2-CG 3.29Å; E170-K185 WeakPolarHBondContact OE2-CG 3.2Å; E170-K185 PolarHBondContact OE2-N 2.62Å; K185-I193 HydrophobicContact CD-CD1 4.17Å
186M96.7Very high95.2Very high7 Ų732.3 Ų32.33%0.03416%0.155CC..  trans-72.3129.2-175.4-163.7-170.570.100112.4V19 W34 F62 M65 I168 L184 N191V19-M186 HydrophobicContact CG1-CG 4.32Å; V19-M186 HydrophobicContact CG1-SD 3.5Å; V19-M186 WeakPolarHBondContact CG1-SD 3.43Å; W34-M186 HydrophobicContact CZ2-CE 3.72Å; F62-M186 HydrophobicContact CD1-CE 3.63Å; F62-M186 HydrophobicContact CE1-CE 4.19Å; M65-M186 HydrophobicContact CE-CE 3.49Å; M65-M186 VanDerWaalsContact CE-CE 3.49Å; M65-M186 HydrophobicContact CE-SD 3.93Å; I168-M186 HydrophobicContact CD1-CE 4.13Å; I168-M186 HydrophobicContact CD1-SD 3.65Å; I168-M186 HydrophobicContact CG1-SD 4.09Å; I168-M186 HydrophobicContact CG2-CB 4.25Å; I168-M186 HydrophobicContact CG2-CE 4.05Å; I168-M186 HydrophobicContact CG2-SD 4.1Å; L184-M186 VanDerWaalsContact C-N 3.28Å; L184-M186 PolarHBondContact O-N 2.91Å; M186-N191 CarbonylContact C-O 3.39Å; M186-N191 VanDerWaalsContact CA-O 3.27Å; M186-N191 WeakPolarHBondContact CA-O 3.23Å
187D95.4Very high94.9Very high53 Ų5334.9 Ų34.928%0.28317%0.167SC..  trans-89.1178.8177.178.311.9000113.5F62 Q189 G190 N191F62-D187 WeakPolarHBondContact CE1-O 3.35Å; D187-Q189 PolarHBondContact O-N 3.4Å; D187-Q189 VanDerWaalsContact OD1-C 3.24Å; D187-Q189 VanDerWaalsContact OD1-CA 3.25Å; D187-Q189 WeakPolarHBondContact OD1-CA 3.39Å; D187-Q189 WeakPolarHBondContact OD1-CB 3.34Å; D187-Q189 PolarHBondContact OD1-N 3.34Å; D187-G190 PolarHBondContact O-N 3.28Å; D187-G190 PolarHBondContact OD1-N 3.24Å; D187-N191 PolarHBondContact N-O 3.07Å; D187-N191 PolarHBondContact OD1-N 3.46Å; D187-N191 PolarHBondContact OD1-ND2 3.03Å; D187-N191 WeakPolarHBondContact OD2-CB 3.32Å; D187-N191 PolarHBondContact OD2-ND2 3.26Å
188K93.1Very high94.5Very high124 Ų12442.5 Ų42.554%0.53920%0.2SC..THydrogen-bonded Turntrans-76-4.6-178.3-65.6170.1-177.6165.70113.3F62F62-K188 HydrophobicContact CE1-CG 4Å; F62-K188 HydrophobicContact CE2-CG 4.14Å; F62-K188 HydrophobicContact CZ-CG 3.59Å
189Q94.6Very high94.3Very high118 Ų11844.3 Ų44.355%0.55121%0.21SC*.THydrogen-bonded Turntrans-106.1-0.4178.9-66.481.8-11.600110.8N18 F69 D187N18-Q189 PolarHBondContact ND2-O 3.35Å; F69-Q189 WeakPolarHBondContact CE2-O 3.31Å; D187-Q189 PolarHBondContact O-N 3.4Å; D187-Q189 VanDerWaalsContact OD1-C 3.24Å; D187-Q189 VanDerWaalsContact OD1-CA 3.25Å; D187-Q189 WeakPolarHBondContact OD1-CA 3.39Å; D187-Q189 WeakPolarHBondContact OD1-CB 3.34Å; D187-Q189 PolarHBondContact OD1-N 3.34Å
190G94.9Very high93.9Very high0 Ų044.5 Ų44.50%021%0.211CC..SBendtrans82.111.3178.900000114.3N18 V19 D187N18-G190 CarbonylContact C-O 3.58Å; N18-G190 VanDerWaalsContact CA-O 3.24Å; N18-G190 WeakPolarHBondContact CA-O 3.34Å; N18-G190 VanDerWaalsContact ND2-C 3.32Å; N18-G190 PolarHBondContact ND2-O 2.98Å; V19-G190 PolarHBondContact N-O 2.79Å; D187-G190 PolarHBondContact O-N 3.28Å; D187-G190 PolarHBondContact OD1-N 3.24Å
191N97.6Very high93.6Very high72 Ų7243.4 Ų43.439%0.38522%0.222SC..EExtended strand (participates in β ladder)trans-81.8140.8173-45.4-61.3000109.6V17 N18 M186 D187V17-N191 CarbonylContact O-C 3.5Å; V17-N191 WeakPolarHBondContact O-CA 3.4Å; N18-N191 PolarHBondContact ND2-OD1 3.04Å; M186-N191 CarbonylContact C-O 3.39Å; M186-N191 VanDerWaalsContact CA-O 3.27Å; M186-N191 WeakPolarHBondContact CA-O 3.23Å; D187-N191 PolarHBondContact N-O 3.07Å; D187-N191 PolarHBondContact OD1-N 3.46Å; D187-N191 PolarHBondContact OD1-ND2 3.03Å; D187-N191 WeakPolarHBondContact OD2-CB 3.32Å; D187-N191 PolarHBondContact OD2-ND2 3.26Å
192G96.8Very high93.1Very high9 Ų948.1 Ų48.19%0.09324%0.238CC..EExtended strand (participates in β ladder)trans-160.7-167.3178.900000112.1V17V17-G192 PolarHBondContact N-O 3.19Å; V17-G192 PolarHBondContact O-N 2.99Å
193I96.4Very high92.6Very high50 Ų5048.2 Ų48.226%0.25624%0.239SC..EExtended strand (participates in β ladder)trans-121115.8178.8-56.3-179.1000108.4A14 L184 K185A14-I193 HydrophobicContact CB-CG2 3.72Å; L184-I193 PolarHBondContact N-O 2.77Å; L184-I193 PolarHBondContact O-N 3.27Å; K185-I193 HydrophobicContact CD-CD1 4.17Å
194E96.4Very high91.8Very high6 Ų659.3 Ų59.33%0.02828%0.281CS..EExtended strand (participates in β ladder)trans-88.1142.4176.3-162.9177.6116.800111.5A14 E15 V17 K21 Y22 T181 V182 I183A14-E194 CarbonylContact C-O 3.58Å; A14-E194 WeakPolarHBondContact CA-O 3.45Å; E15-E194 PolarHBondContact N-O 3.07Å; E15-E194 PolarHBondContact O-N 3Å; V17-E194 HydrophobicContact CB-CB 4.17Å; V17-E194 HydrophobicContact CG1-CB 3.93Å; K21-E194 IonicContact NZ-OE1 2.77Å; K21-E194 PolarHBondContact NZ-OE1 3.18Å; K21-E194 IonicContact NZ-OE2 2.62Å; K21-E194 PolarHBondContact NZ-OE2 3.36Å; Y22-E194 PolarHBondContact OH-OE1 3.3Å; Y22-E194 PolarHBondContact OH-OE2 3.49Å; T181-E194 HydrophobicContact CG2-CG 3.58Å; V182-E194 CarbonylContact O-C 3.56Å; V182-E194 WeakPolarHBondContact O-CA 3.36Å; I183-E194 HydrophobicContact CG1-CG 4.48Å
195I95.1Very high91Very high1 Ų161 Ų611%0.00529%0.293CS..EExtended strand (participates in β ladder)trans-126.8117.5163-61.2177.2000107.4L7 L10 A14 L175 T181 V182 L184 L200L7-I195 HydrophobicContact CD1-CD1 3.84Å; L10-I195 HydrophobicContact CB-CD1 4.37Å; A14-I195 HydrophobicContact CB-CD1 4.3Å; A14-I195 HydrophobicContact CB-CG1 3.91Å; L175-I195 HydrophobicContact CD1-CD1 4.09Å; L175-I195 HydrophobicContact CD1-CG2 4.09Å; L175-I195 HydrophobicContact CD2-CB 4.44Å; L175-I195 HydrophobicContact CD2-CG2 4Å; T181-I195 WeakPolarHBondContact CA-O 3.47Å; V182-I195 PolarHBondContact N-O 2.84Å; V182-I195 PolarHBondContact O-N 3.4Å; L184-I195 HydrophobicContact CD1-CD1 4.03Å; I195-L200 HydrophobicContact CG2-CD2 3.96Å
196D93Very high90.3Very high24 Ų2455.1 Ų55.113%0.12827%0.267CS..EExtended strand (participates in β ladder)trans-93.1134.9167.3-173.2-35.4000108.7K180 K198 N199 L200K180-D196 CarbonylContact O-C 3.58Å; K180-D196 WeakPolarHBondContact O-CA 3.33Å; D196-K198 PolarHBondContact O-N 2.85Å; D196-K198 VanDerWaalsContact OD1-CB 3.27Å; D196-K198 WeakPolarHBondContact OD1-CB 3.45Å; D196-K198 VanDerWaalsContact OD1-CG 3.23Å; D196-K198 WeakPolarHBondContact OD1-CG 3.43Å; D196-K198 PolarHBondContact OD1-N 2.81Å; D196-K198 IonicContact OD1-NZ 2.82Å; D196-K198 PolarHBondContact OD1-NZ 3.39Å; D196-K198 IonicContact OD2-NZ 2.73Å; D196-K198 PolarHBondContact OD2-NZ 2.99Å; D196-N199 HydrophobicContact CB-CB 4.26Å; D196-N199 WeakPolarHBondContact O-CA 3.48Å; D196-N199 WeakPolarHBondContact O-CB 3.41Å; D196-N199 PolarHBondContact O-N 3.29Å; D196-L200 PolarHBondContact O-N 2.98Å
197Q88.9Confident89.5Confident53 Ų5356.6 Ų56.625%0.24828%0.284CS..G310 helixtrans-53.6-35.7175.3-168.2-176.419.900111.6K180 N199 L200 E212K180-Q197 PolarHBondContact O-N 2.95Å; Q197-N199 VanDerWaalsContact C-N 3.31Å; Q197-N199 PolarHBondContact O-N 2.82Å; Q197-L200 HydrophobicContact CG-CD1 4.16Å; Q197-L200 WeakPolarHBondContact O-CB 3.45Å; Q197-L200 VanDerWaalsContact O-CG 3.32Å; Q197-L200 WeakPolarHBondContact O-CG 3.37Å; Q197-L200 PolarHBondContact O-N 3.35Å; Q197-E212 PolarHBondContact NE2-OE2 2.8Å
198K86.8Confident88.7Confident162 Ų16257.1 Ų57.170%0.70429%0.287SS*.G310 helixtrans-64.8-33.7174.9-56.9179.9-144.385.30112.4D196 L200D196-K198 PolarHBondContact O-N 2.85Å; D196-K198 VanDerWaalsContact OD1-CB 3.27Å; D196-K198 WeakPolarHBondContact OD1-CB 3.45Å; D196-K198 VanDerWaalsContact OD1-CG 3.23Å; D196-K198 WeakPolarHBondContact OD1-CG 3.43Å; D196-K198 PolarHBondContact OD1-N 2.81Å; D196-K198 IonicContact OD1-NZ 2.82Å; D196-K198 PolarHBondContact OD1-NZ 3.39Å; D196-K198 IonicContact OD2-NZ 2.73Å; D196-K198 PolarHBondContact OD2-NZ 2.99Å; K198-L200 VanDerWaalsContact C-N 3.29Å; K198-L200 PolarHBondContact O-N 2.95Å
199N87.8Confident87.8Confident38 Ų3851.2 Ų51.220%0.20326%0.261CS..G310 helixtrans-76.5-13-179.5-87.1-21000113A13 E15 D196 Q197 G201 R202A13-N199 HydrophobicContact CB-CB 4.31Å; A13-N199 WeakPolarHBondContact CB-O 3.28Å; E15-N199 PolarHBondContact OE2-ND2 3.35Å; D196-N199 HydrophobicContact CB-CB 4.26Å; D196-N199 WeakPolarHBondContact O-CA 3.48Å; D196-N199 WeakPolarHBondContact O-CB 3.41Å; D196-N199 PolarHBondContact O-N 3.29Å; Q197-N199 VanDerWaalsContact C-N 3.31Å; Q197-N199 PolarHBondContact O-N 2.82Å; N199-G201 PolarHBondContact O-N 3.24Å; N199-G201 VanDerWaalsContact O-N 3.09Å; N199-R202 VanDerWaalsContact O-CB 3.27Å; N199-R202 WeakPolarHBondContact O-CB 3.32Å; N199-R202 WeakPolarHBondContact O-CD 3.4Å; N199-R202 WeakPolarHBondContact O-CG 3.42Å; N199-R202 PolarHBondContact O-N 3.32Å
200L86.6Confident87.1Confident4 Ų451 Ų512%0.02126%0.259CS..G310 helixtrans-55.1-30.5-179.6-66.1175000113.3L10 A13 I195 D196 Q197 K198 R202 C203 L206 F215L10-L200 HydrophobicContact CD1-CD2 3.92Å; L10-L200 HydrophobicContact CD2-CD2 4.07Å; L10-L200 HydrophobicContact CG-CD2 4.5Å; A13-L200 HydrophobicContact CB-CD2 4.4Å; I195-L200 HydrophobicContact CG2-CD2 3.96Å; D196-L200 PolarHBondContact O-N 2.98Å; Q197-L200 HydrophobicContact CG-CD1 4.16Å; Q197-L200 WeakPolarHBondContact O-CB 3.45Å; Q197-L200 VanDerWaalsContact O-CG 3.32Å; Q197-L200 WeakPolarHBondContact O-CG 3.37Å; Q197-L200 PolarHBondContact O-N 3.35Å; K198-L200 VanDerWaalsContact C-N 3.29Å; K198-L200 PolarHBondContact O-N 2.95Å; L200-R202 PolarHBondContact O-N 2.84Å; L200-R202 VanDerWaalsContact O-N 3.1Å; L200-C203 WeakPolarHBondContact O-CB 3.49Å; L200-C203 PolarHBondContact O-N 3.24Å; L200-L206 HydrophobicContact CB-CD1 4.2Å; L200-F215 HydrophobicContact CD1-CD2 4.4Å; L200-F215 HydrophobicContact CD1-CE2 4.42Å
201G83.9Confident86.8Confident55 Ų5554 Ų5457%0.56728%0.277SS*.G310 helixtrans-60.4-16.4174.800000115.2N199 C203N199-G201 PolarHBondContact O-N 3.24Å; N199-G201 VanDerWaalsContact O-N 3.09Å; G201-C203 VanDerWaalsContact C-N 3.28Å; G201-C203 PolarHBondContact O-N 3.05Å
202R86Confident86.4Confident110 Ų11053.3 Ų53.342%0.41527%0.272SS..G310 helixtrans-69.3-25.9173.1-68.4157.557.3150.9-8.2112.6D12 E15 N199 L200 R204D12-R202 WeakPolarHBondContact O-CB 3.44Å; D12-R202 PolarHBondContact O-NE 2.75Å; E15-R202 IonicContact OE1-CZ 2.63Å; E15-R202 IonicContact OE1-NH1 3.8Å; E15-R202 PolarHBondContact OE1-NH1 3.09Å; E15-R202 IonicContact OE1-NH2 3.44Å; E15-R202 PolarHBondContact OE1-NH2 3.41Å; E15-R202 IonicContact OE2-NH1 3.92Å; N199-R202 VanDerWaalsContact O-CB 3.27Å; N199-R202 WeakPolarHBondContact O-CB 3.32Å; N199-R202 WeakPolarHBondContact O-CD 3.4Å; N199-R202 WeakPolarHBondContact O-CG 3.42Å; N199-R202 PolarHBondContact O-N 3.32Å; L200-R202 PolarHBondContact O-N 2.84Å; L200-R202 VanDerWaalsContact O-N 3.1Å; R202-R204 PolarHBondContact O-N 2.94Å
203C85.2Confident86.2Confident2 Ų257.6 Ų57.61%0.01429%0.289CS..  trans-73.792.3179.1-71.80000111.1L10 A13 L200 G201 S205 L206L10-C203 PolarHBondContact O-SG 2.88Å; A13-C203 VanDerWaalsContact CB-SG 3.52Å; A13-C203 PolarHBondContact N-SG 3.16Å; A13-C203 VanDerWaalsContact N-SG 3.4Å; L200-C203 WeakPolarHBondContact O-CB 3.49Å; L200-C203 PolarHBondContact O-N 3.24Å; G201-C203 VanDerWaalsContact C-N 3.28Å; G201-C203 PolarHBondContact O-N 3.05Å; C203-S205 PolarHBondContact O-N 2.79Å; C203-L206 HydrophobicContact CB-CB 4.5Å; C203-L206 HydrophobicContact CB-CD1 4.02Å; C203-L206 HydrophobicContact CB-CG 4.17Å; C203-L206 WeakPolarHBondContact O-CB 3.36Å; C203-L206 PolarHBondContact O-N 2.9Å
204R81.1Confident86Confident232 Ų23257.9 Ų57.988%0.87529%0.289SS*.THydrogen-bonded Turntrans-54.1-18.6174.2-61.1-175.7-178.6-1690.1113.8R202R202-R204 PolarHBondContact O-N 2.94Å
205S79.9Confident85.9Confident37 Ų3757.8 Ų57.826%0.25929%0.288SS..THydrogen-bonded Turntrans-63.8-39.9170.646.90000113.3F9 C203 C239 R243F9-S205 PolarHBondContact O-OG 3.02Å; C203-S205 PolarHBondContact O-N 2.79Å; S205-C239 PolarHBondContact O-SG 3.26Å; S205-R243 PolarHBondContact O-NH1 3.06Å
206L80.4Confident85.9Confident1 Ų158.4 Ų58.41%0.00529%0.29CS..THydrogen-bonded Turntrans-72-36.2-179.2-74.7173.3000113F9 L10 L200 C203 D208 V209 F215 M218 R243F9-L206 HydrophobicContact CE1-CD2 3.88Å; F9-L206 HydrophobicContact CE1-CG 4.3Å; L10-L206 HydrophobicContact CD2-CD1 3.85Å; L10-L206 HydrophobicContact CD2-CG 4.32Å; L200-L206 HydrophobicContact CB-CD1 4.2Å; C203-L206 HydrophobicContact CB-CB 4.5Å; C203-L206 HydrophobicContact CB-CD1 4.02Å; C203-L206 HydrophobicContact CB-CG 4.17Å; C203-L206 WeakPolarHBondContact O-CB 3.36Å; C203-L206 PolarHBondContact O-N 2.9Å; L206-D208 PolarHBondContact O-N 2.76Å; L206-V209 HydrophobicContact CB-CB 4.44Å; L206-V209 HydrophobicContact CD2-CB 4.13Å; L206-V209 HydrophobicContact CD2-CG1 4.07Å; L206-V209 WeakPolarHBondContact O-CB 3.5Å; L206-V209 WeakPolarHBondContact O-CG2 3.46Å; L206-V209 PolarHBondContact O-N 3.48Å; L206-V209 VanDerWaalsContact O-N 3.14Å; L206-F215 HydrophobicContact CD2-CD2 4.31Å; L206-M218 HydrophobicContact CD2-CE 3.84Å; L206-M218 HydrophobicContact CD2-SD 3.59Å; L206-M218 VanDerWaalsContact CD2-SD 3.59Å; L206-R243 WeakPolarHBondContact O-CD 3.4Å
207G80.4Confident86.1Confident37 Ų3757.6 Ų57.638%0.38129%0.286SS..THydrogen-bonded Turntrans63-117.4-172.400000110.7F210G207-F210 WeakPolarHBondContact O-CD1 3.37Å
208D77.6Confident86.4Confident65 Ų6555.1 Ų55.135%0.34827%0.274SS..THydrogen-bonded Turntrans-89.71.9177.264-65.7000114.5L206 F210 K214 R243L206-D208 PolarHBondContact O-N 2.76Å; D208-F210 PolarHBondContact O-N 3.28Å; D208-K214 IonicContact OD2-NZ 3.41Å; D208-K214 PolarHBondContact OD2-NZ 3.29Å; D208-R243 WeakPolarHBondContact OD1-CG 3.41Å
209V74.8Confident86.8Confident0 Ų047.4 Ų47.40%024%0.241CC..THydrogen-bonded Turntrans-7923-178.1-1770000112.3L206 K214 M218 L242 R243L206-V209 HydrophobicContact CB-CB 4.44Å; L206-V209 HydrophobicContact CD2-CB 4.13Å; L206-V209 HydrophobicContact CD2-CG1 4.07Å; L206-V209 WeakPolarHBondContact O-CB 3.5Å; L206-V209 WeakPolarHBondContact O-CG2 3.46Å; L206-V209 PolarHBondContact O-N 3.48Å; L206-V209 VanDerWaalsContact O-N 3.14Å; V209-K214 HydrophobicContact CB-CB 4.49Å; V209-K214 HydrophobicContact CG1-CB 4.11Å; V209-M218 HydrophobicContact CG1-CB 3.93Å; V209-M218 HydrophobicContact CG1-CG 4.35Å; V209-M218 HydrophobicContact CG1-SD 4.04Å; V209-L242 HydrophobicContact CG1-CD1 4.28Å; V209-L242 HydrophobicContact CG2-CB 3.84Å; V209-R243 HydrophobicContact CG2-CG 3.58Å
210F79.8Confident87.2Confident113 Ų11345.6 Ų45.650%0.49623%0.231SC..THydrogen-bonded Turntrans-87.8-8.4-177.564.8-99.1000114.5G207 D208G207-F210 WeakPolarHBondContact O-CD1 3.37Å; D208-F210 PolarHBondContact O-N 3.28Å
211T88.1Confident87.6Confident64 Ų6445.4 Ų45.439%0.39323%0.23SC..SBendtrans-71143.6173.563.80000110.4E213 K214 F215T211-E213 PolarHBondContact O-N 2.77Å; T211-E213 VanDerWaalsContact O-N 3.14Å; T211-K214 PolarHBondContact O-N 3.41Å; T211-K214 VanDerWaalsContact O-N 3.16Å; T211-K214 WeakPolarHBondContact OG1-CB 3.49Å; T211-K214 WeakPolarHBondContact OG1-CG 3.32Å; T211-K214 PolarHBondContact OG1-N 2.84Å; T211-F215 VanDerWaalsContact O-CB 3.28Å; T211-F215 WeakPolarHBondContact O-CB 3.36Å; T211-F215 PolarHBondContact O-N 3.12Å
212E90Very high88.2Confident57 Ų5743.4 Ų43.427%0.26621%0.208SC..Hα-helixtrans-53.2-39.6-176.2-175.1173.4133.200112.5K160 Q197 R216K160-E212 IonicContact NZ-OE1 2.7Å; K160-E212 PolarHBondContact NZ-OE1 3.36Å; K160-E212 IonicContact NZ-OE2 2.81Å; Q197-E212 PolarHBondContact NE2-OE2 2.8Å; E212-R216 VanDerWaalsContact O-CB 3.29Å; E212-R216 WeakPolarHBondContact O-CB 3.41Å; E212-R216 PolarHBondContact O-N 3.34Å; E212-R216 IonicContact OE1-NH1 3.6Å
213E92.4Very high88.6Confident99 Ų9938.7 Ų38.746%0.46319%0.194SC..Hα-helixtrans-66-54.7176.3-169.7-162.5143.900112.9T211 F215 R216 H217T211-E213 PolarHBondContact O-N 2.77Å; T211-E213 VanDerWaalsContact O-N 3.14Å; E213-F215 PolarHBondContact O-N 3.15Å; E213-R216 PolarHBondContact O-N 2.67Å; E213-H217 VanDerWaalsContact CG-CE1 3.43Å; E213-H217 WeakPolarHBondContact CG-CE1 3.1Å; E213-H217 WeakPolarHBondContact O-CB 3.31Å; E213-H217 PolarHBondContact O-N 2.94Å; E213-H217 IonicContact OE1-CE1 3.93Å; E213-H217 PolarHBondContact OE1-CE1 3.16Å; E213-H217 VanDerWaalsContact OE1-CE1 3.25Å; E213-H217 IonicContact OE1-ND1 2.64Å
214K92.8Very high89Confident56 Ų5639.2 Ų39.224%0.24320%0.198CC..Hα-helixtrans-61.2-37178.3-74.5-164.6174.6-154.90111.2D208 V209 T211 H217 M218 L242D208-K214 IonicContact OD2-NZ 3.41Å; D208-K214 PolarHBondContact OD2-NZ 3.29Å; V209-K214 HydrophobicContact CB-CB 4.49Å; V209-K214 HydrophobicContact CG1-CB 4.11Å; T211-K214 PolarHBondContact O-N 3.41Å; T211-K214 VanDerWaalsContact O-N 3.16Å; T211-K214 WeakPolarHBondContact OG1-CB 3.49Å; T211-K214 WeakPolarHBondContact OG1-CG 3.32Å; T211-K214 PolarHBondContact OG1-N 2.84Å; K214-H217 PolarHBondContact O-N 3.4Å; K214-M218 WeakPolarHBondContact O-CB 3.45Å; K214-M218 PolarHBondContact O-N 3.49Å; K214-L242 PolarHBondContact NZ-O 2.84Å; K214-L242 WeakPolarHBondContact O-CD1 3.48Å
215F94Very high89.5Confident3 Ų329.2 Ų29.21%0.01316%0.162CC..Hα-helixtrans-64.7-49.5177-176.3-93.9000111.6L6 L10 L175 L200 L206 T211 E213 H217 M218 C219L6-F215 HydrophobicContact CD1-CE2 4.37Å; L6-F215 HydrophobicContact CD1-CZ 4.09Å; L6-F215 HydrophobicContact CD2-CZ 4.18Å; L10-F215 HydrophobicContact CD1-CE2 3.98Å; L10-F215 HydrophobicContact CD1-CZ 3.89Å; L10-F215 HydrophobicContact CD2-CE2 4.18Å; L175-F215 HydrophobicContact CB-CE1 3.72Å; L175-F215 HydrophobicContact CB-CZ 4.02Å; L200-F215 HydrophobicContact CD1-CD2 4.4Å; L200-F215 HydrophobicContact CD1-CE2 4.42Å; L206-F215 HydrophobicContact CD2-CD2 4.31Å; T211-F215 VanDerWaalsContact O-CB 3.28Å; T211-F215 WeakPolarHBondContact O-CB 3.36Å; T211-F215 PolarHBondContact O-N 3.12Å; E213-F215 PolarHBondContact O-N 3.15Å; F215-H217 PolarHBondContact O-N 2.87Å; F215-M218 HydrophobicContact CD2-CE 3.78Å; F215-M218 HydrophobicContact CE2-CE 3.67Å; F215-M218 HydrophobicContact CZ-CE 4.42Å; F215-M218 WeakPolarHBondContact O-CB 3.46Å; F215-M218 PolarHBondContact O-N 3.13Å; F215-M218 VanDerWaalsContact O-N 3.15Å; F215-C219 PolarHBondContact O-N 3.34Å; F215-C219 PolarHBondContact O-SG 3.03Å
216R95.4Very high90.1Very high15 Ų1528.8 Ų28.86%0.05715%0.154CC..Hα-helixtrans-59.1-44.1174.3178.2175.657-108.8-3.2111.8E212 E213 M218 C219 I220 N279 F282E212-R216 VanDerWaalsContact O-CB 3.29Å; E212-R216 WeakPolarHBondContact O-CB 3.41Å; E212-R216 PolarHBondContact O-N 3.34Å; E212-R216 IonicContact OE1-NH1 3.6Å; E213-R216 PolarHBondContact O-N 2.67Å; R216-M218 VanDerWaalsContact C-N 3.34Å; R216-M218 PolarHBondContact O-N 2.65Å; R216-C219 WeakPolarHBondContact O-CB 3.38Å; R216-C219 PolarHBondContact O-N 3.14Å; R216-I220 HydrophobicContact CG-CD1 3.89Å; R216-I220 WeakPolarHBondContact O-CG1 3.24Å; R216-I220 PolarHBondContact O-N 3.09Å; R216-N279 WeakPolarHBondContact CD-OD1 3.25Å; R216-N279 PolarHBondContact NE-OD1 3.3Å; R216-F282 VanDerWaalsContact CD-CB 3.47Å; R216-F282 HydrophobicContact CG-CB 4.13Å; R216-F282 HydrophobicContact CG-CD2 4.46Å; R216-F282 HydrophobicContact CG-CG 4.35Å
217H95.7Very high90.8Very high7 Ų729.5 Ų29.53%0.03216%0.158CC..Hα-helixtrans-61-40.5174.9-66169.9000112E213 K214 F215 C219 I220 L221 L242 I250 F275 N279E213-H217 VanDerWaalsContact CG-CE1 3.43Å; E213-H217 WeakPolarHBondContact CG-CE1 3.1Å; E213-H217 WeakPolarHBondContact O-CB 3.31Å; E213-H217 PolarHBondContact O-N 2.94Å; E213-H217 IonicContact OE1-CE1 3.93Å; E213-H217 PolarHBondContact OE1-CE1 3.16Å; E213-H217 VanDerWaalsContact OE1-CE1 3.25Å; E213-H217 IonicContact OE1-ND1 2.64Å; K214-H217 PolarHBondContact O-N 3.4Å; F215-H217 PolarHBondContact O-N 2.87Å; H217-C219 VanDerWaalsContact C-N 3.34Å; H217-C219 PolarHBondContact O-N 2.94Å; H217-I220 PolarHBondContact O-N 2.96Å; H217-L221 WeakPolarHBondContact O-CB 3.46Å; H217-L221 VanDerWaalsContact O-CG 3.23Å; H217-L221 WeakPolarHBondContact O-CG 3.37Å; H217-L221 PolarHBondContact O-N 3.42Å; H217-L242 HydrophobicContact CB-CD1 4.17Å; H217-L242 HydrophobicContact CB-CD2 4.4Å; H217-I250 HydrophobicContact CB-CD1 4.36Å; H217-F275 HydrophobicContact CB-CZ 4.03Å; H217-F275 AromaticContact CD2-CZ 3.58Å; H217-F275 AromaticContact CG-CZ 3.83Å; H217-N279 PolarHBondContact NE2-OD1 3.35Å
218M95.3Very high91.4Very high0 Ų032.5 Ų32.50%017%0.171CC..Hα-helixtrans-60.2-44.1174.2-177.8-164.563.700111.5L6 F9 L206 V209 K214 F215 R216 A222 L235 A238 C239 L242L6-M218 HydrophobicContact CD1-CE 4.19Å; F9-M218 HydrophobicContact CE1-CE 4.44Å; F9-M218 HydrophobicContact CE1-SD 3.9Å; L206-M218 HydrophobicContact CD2-CE 3.84Å; L206-M218 HydrophobicContact CD2-SD 3.59Å; L206-M218 VanDerWaalsContact CD2-SD 3.59Å; V209-M218 HydrophobicContact CG1-CB 3.93Å; V209-M218 HydrophobicContact CG1-CG 4.35Å; V209-M218 HydrophobicContact CG1-SD 4.04Å; K214-M218 WeakPolarHBondContact O-CB 3.45Å; K214-M218 PolarHBondContact O-N 3.49Å; F215-M218 HydrophobicContact CD2-CE 3.78Å; F215-M218 HydrophobicContact CE2-CE 3.67Å; F215-M218 HydrophobicContact CZ-CE 4.42Å; F215-M218 WeakPolarHBondContact O-CB 3.46Å; F215-M218 PolarHBondContact O-N 3.13Å; F215-M218 VanDerWaalsContact O-N 3.15Å; R216-M218 VanDerWaalsContact C-N 3.34Å; R216-M218 PolarHBondContact O-N 2.65Å; M218-A222 VanDerWaalsContact O-CB 3.25Å; M218-A222 WeakPolarHBondContact O-CB 3.43Å; M218-A222 PolarHBondContact O-N 2.95Å; M218-L235 HydrophobicContact CE-CD2 3.93Å; M218-L235 HydrophobicContact CG-CD2 4.41Å; M218-L235 HydrophobicContact SD-CD2 4.35Å; M218-A238 HydrophobicContact CG-CB 3.95Å; M218-A238 WeakPolarHBondContact O-CB 3.43Å; M218-C239 HydrophobicContact CG-CB 4.26Å; M218-C239 HydrophobicContact SD-CB 3.82Å; M218-L242 HydrophobicContact CB-CD1 3.68Å
219C95.7Very high92.2Very high0 Ų031.8 Ų31.80%017%0.171CC..Hα-helixtrans-63.2-47179.5-71.70000112.4I3 A176 F215 R216 H217 A222 G223I3-C219 HydrophobicContact CD1-CB 3.56Å; I3-C219 HydrophobicContact CG1-CB 4.12Å; A176-C219 HydrophobicContact CB-CB 3.94Å; F215-C219 PolarHBondContact O-N 3.34Å; F215-C219 PolarHBondContact O-SG 3.03Å; R216-C219 WeakPolarHBondContact O-CB 3.38Å; R216-C219 PolarHBondContact O-N 3.14Å; H217-C219 VanDerWaalsContact C-N 3.34Å; H217-C219 PolarHBondContact O-N 2.94Å; C219-A222 PolarHBondContact O-N 3.38Å; C219-G223 PolarHBondContact O-N 3.38Å
220I96.4Very high93.2Very high0 Ų032.9 Ų32.90%018%0.177CC..Hα-helixtrans-64.1-45.1177.9-61.2160.8000110.8R216 H217 A222 G223 L227 F275 A278 N279 F282R216-I220 HydrophobicContact CG-CD1 3.89Å; R216-I220 WeakPolarHBondContact O-CG1 3.24Å; R216-I220 PolarHBondContact O-N 3.09Å; H217-I220 PolarHBondContact O-N 2.96Å; I220-A222 PolarHBondContact O-N 3.03Å; I220-G223 PolarHBondContact O-N 3.26Å; I220-G223 VanDerWaalsContact O-N 3.08Å; I220-L227 HydrophobicContact CG2-CB 4.44Å; I220-L227 HydrophobicContact CG2-CD2 3.78Å; I220-F275 HydrophobicContact CB-CD2 4.14Å; I220-F275 HydrophobicContact CB-CE2 3.84Å; I220-F275 HydrophobicContact CD1-CE2 4.4Å; I220-F275 HydrophobicContact CG2-CD2 3.45Å; I220-F275 VanDerWaalsContact CG2-CD2 3.45Å; I220-F275 HydrophobicContact CG2-CE2 3.69Å; I220-F275 HydrophobicContact CG2-CG 4.37Å; I220-A278 HydrophobicContact CD1-CB 4.5Å; I220-A278 HydrophobicContact CG1-CB 4.46Å; I220-A278 HydrophobicContact CG2-CB 3.84Å; I220-N279 HydrophobicContact CD1-CB 3.81Å; I220-F282 HydrophobicContact CD1-CD2 3.95Å; I220-F282 HydrophobicContact CD1-CE2 4.45Å; I220-F282 HydrophobicContact CG1-CD2 3.8Å; I220-F282 HydrophobicContact CG1-CE2 3.78Å
221L95.8Very high93.8Very high0 Ų036.1 Ų36.10%019%0.193CC..Hα-helixtrans-64.5-27.5177.3-70173.3000113.3H217 G223 I233 A238 L241 L242 I254 Y271 F275H217-L221 WeakPolarHBondContact O-CB 3.46Å; H217-L221 VanDerWaalsContact O-CG 3.23Å; H217-L221 WeakPolarHBondContact O-CG 3.37Å; H217-L221 PolarHBondContact O-N 3.42Å; L221-G223 VanDerWaalsContact C-N 3.27Å; L221-I233 WeakPolarHBondContact O-CG2 3.46Å; L221-A238 HydrophobicContact CB-CB 3.74Å; L221-L241 HydrophobicContact CD1-CD2 3.97Å; L221-L242 HydrophobicContact CD1-CD1 4.4Å; L221-L242 HydrophobicContact CD1-CG 4.47Å; L221-I254 HydrophobicContact CD2-CD1 3.96Å; L221-I254 HydrophobicContact CD2-CG1 3.92Å; L221-Y271 HydrophobicContact CD2-CE1 4.25Å; L221-F275 HydrophobicContact CD2-CD2 4.03Å; L221-F275 HydrophobicContact CD2-CE2 3.97Å; L221-F275 HydrophobicContact CG-CD2 4.4Å; L221-F275 HydrophobicContact CG-CE2 3.89Å
222A95.4Very high93.9Very high13 Ų1334.9 Ų34.911%0.10719%0.193CC..THydrogen-bonded Turntrans-79.1-8175.600000114.1I3 M218 C219 I220 L235 A238I3-A222 HydrophobicContact CG2-CB 4.42Å; M218-A222 VanDerWaalsContact O-CB 3.25Å; M218-A222 WeakPolarHBondContact O-CB 3.43Å; M218-A222 PolarHBondContact O-N 2.95Å; C219-A222 PolarHBondContact O-N 3.38Å; I220-A222 PolarHBondContact O-N 3.03Å; A222-L235 HydrophobicContact CB-CB 4.38Å; A222-L235 HydrophobicContact CB-CD2 3.58Å; A222-L235 HydrophobicContact CB-CG 3.73Å; A222-A238 HydrophobicContact CB-CB 4.4Å
223G94.2Very high94.1Very high12 Ų1232.9 Ų32.912%0.12418%0.184CC..  trans96.4127.3-175.400000111.8C219 I220 L221C219-G223 PolarHBondContact O-N 3.38Å; I220-G223 PolarHBondContact O-N 3.26Å; I220-G223 VanDerWaalsContact O-N 3.08Å; L221-G223 VanDerWaalsContact C-N 3.27Å
224C93.8Very high94.2Very high13 Ų1329.2 Ų29.29%0.08817%0.173CC..BIsolated β-bridgetrans-140.8171.9-178.964.20000110.5I3 Y226 L227 F282I3-C224 HydrophobicContact CG1-CB 4.15Å; C224-Y226 PolarHBondContact O-N 3.38Å; C224-L227 PolarHBondContact N-O 3.24Å; C224-L227 CarbonylContact O-C 3.6Å; C224-L227 PolarHBondContact O-N 3.42Å; C224-L227 VanDerWaalsContact O-N 3.16Å; C224-L227 VanDerWaalsContact O-O 3.1Å; C224-F282 HydrophobicContact CB-CE2 4.15Å; C224-F282 HydrophobicContact CB-CZ 4.27Å
225D92.1Very high94.2Very high22 Ų2227.3 Ų27.312%0.11817%0.166CC..THydrogen-bonded Turntrans-62.4-11-179.6-907.8000114.1G2 K85 V88 R92G2-D225 PolarHBondContact N-OD1 2.97Å; K85-D225 HydrophobicContact CD-CB 4.12Å; K85-D225 WeakPolarHBondContact CE-OD2 3.4Å; K85-D225 HydrophobicContact CG-CB 4.45Å; K85-D225 IonicContact NZ-OD2 2.8Å; K85-D225 PolarHBondContact NZ-OD2 3.12Å; V88-D225 WeakPolarHBondContact CG2-O 3.42Å; R92-D225 IonicContact CZ-OD2 3.63Å; R92-D225 IonicContact NH1-OD2 3.25Å; R92-D225 IonicContact NH2-OD1 3.43Å; R92-D225 PolarHBondContact NH2-OD1 2.88Å; R92-D225 IonicContact NH2-OD2 3.7Å; R92-D225 PolarHBondContact NH2-OD2 3.46Å
226Y93Very high94.2Very high27 Ų2729.5 Ų29.511%0.10619%0.189CC..THydrogen-bonded Turntrans-105.1-14.6177.1-47-52.5000114.7L82 K85 E150 F177 C224 T281 F282L82-Y226 HydrophobicContact CD2-CD1 4.33Å; L82-Y226 HydrophobicContact CD2-CE1 3.75Å; K85-Y226 HydrophobicContact CB-CD1 4.25Å; K85-Y226 HydrophobicContact CB-CE1 4.22Å; K85-Y226 HydrophobicContact CD-CE1 4.07Å; E150-Y226 WeakPolarHBondContact OE2-CE1 3.35Å; E150-Y226 PolarHBondContact OE2-OH 3.43Å; F177-Y226 HydrophobicContact CZ-CE2 4.33Å; F177-Y226 WeakPolarHBondContact CZ-OH 3.47Å; C224-Y226 PolarHBondContact O-N 3.38Å; Y226-T281 HydrophobicContact CD1-CG2 4.06Å; Y226-T281 HydrophobicContact CD2-CG2 3.89Å; Y226-T281 HydrophobicContact CE1-CG2 3.75Å; Y226-T281 HydrophobicContact CE2-CG2 3.59Å; Y226-T281 HydrophobicContact CG-CG2 4.13Å; Y226-F282 AromaticContact CD2-CD2 3.93Å; Y226-F282 HydrophobicContact CD2-CD2 3.93Å; Y226-F282 AromaticContact CD2-CE2 3.64Å; Y226-F282 HydrophobicContact CD2-CE2 3.64Å; Y226-F282 HydrophobicContact CD2-CZ 4.04Å; Y226-F282 HydrophobicContact CE2-CD1 4.28Å; Y226-F282 HydrophobicContact CE2-CD2 4.07Å; Y226-F282 HydrophobicContact CE2-CE1 4.05Å; Y226-F282 AromaticContact CE2-CE2 3.84Å; Y226-F282 HydrophobicContact CE2-CE2 3.84Å; Y226-F282 HydrophobicContact CE2-CG 4.28Å; Y226-F282 AromaticContact CE2-CZ 3.82Å; Y226-F282 HydrophobicContact CE2-CZ 3.82Å
227L94.3Very high94.1Very high16 Ų1632.5 Ų32.58%0.08420%0.202CC..BIsolated β-bridgetrans-157.5118.7-177.4-171.171.2000110.7I220 C224 Y271 F275 A278I220-L227 HydrophobicContact CG2-CB 4.44Å; I220-L227 HydrophobicContact CG2-CD2 3.78Å; C224-L227 PolarHBondContact N-O 3.24Å; C224-L227 CarbonylContact O-C 3.6Å; C224-L227 PolarHBondContact O-N 3.42Å; C224-L227 VanDerWaalsContact O-N 3.16Å; C224-L227 VanDerWaalsContact O-O 3.1Å; L227-Y271 HydrophobicContact CD1-CD2 4.17Å; L227-Y271 HydrophobicContact CD1-CE2 4.2Å; L227-Y271 HydrophobicContact CD2-CD2 4.13Å; L227-Y271 HydrophobicContact CD2-CE2 3.53Å; L227-Y271 HydrophobicContact CG-CD2 4.28Å; L227-Y271 HydrophobicContact CG-CE2 3.79Å; L227-F275 HydrophobicContact CD2-CB 4.12Å; L227-A278 HydrophobicContact CB-CB 4.04Å
228P93.6Very high94Very high100 Ų10032.1 Ų32.165%0.64920%0.201SC*.PPolyproline II helixtrans-67.2145.6173.428.5-34.7000111.2Y271P228-Y271 WeakPolarHBondContact O-CE2 3.42Å
229S94.6Very high93.9Very high50 Ų5032.3 Ų32.335%0.3520%0.202SC..PPolyproline II helixtrans-66.4143.3175.655.50000112.2
230L94.1Very high93.8Very high24 Ų2437 Ų3713%0.12622%0.222CC..PPolyproline II helixtrans-58.8146.1166.7-74.3168.2000111.1G232 I233 M257 V265 V267 Y271L230-G232 PolarHBondContact O-N 3.09Å; L230-I233 HydrophobicContact CB-CG1 3.98Å; L230-I233 WeakPolarHBondContact O-CB 3.19Å; L230-I233 PolarHBondContact O-N 3.44Å; L230-M257 HydrophobicContact CB-CE 4.5Å; L230-M257 HydrophobicContact CD1-CE 3.49Å; L230-M257 VanDerWaalsContact CD1-CE 3.49Å; L230-V265 HydrophobicContact CB-CG1 4.48Å; L230-V265 HydrophobicContact CD1-CG1 4.34Å; L230-V267 HydrophobicContact CD1-CG1 4.25Å; L230-V267 HydrophobicContact CD1-CG2 3.96Å; L230-Y271 HydrophobicContact CD1-CD1 3.57Å; L230-Y271 HydrophobicContact CD1-CD2 4.32Å; L230-Y271 HydrophobicContact CD1-CE1 3.52Å; L230-Y271 HydrophobicContact CD1-CE2 4.3Å; L230-Y271 HydrophobicContact CD1-CG 3.98Å; L230-Y271 HydrophobicContact CD2-CD2 4.05Å; L230-Y271 HydrophobicContact CD2-CE2 4.44Å; L230-Y271 HydrophobicContact CD2-CG 4.1Å; L230-Y271 HydrophobicContact CG-CD1 4.04Å; L230-Y271 HydrophobicContact CG-CD2 3.86Å; L230-Y271 HydrophobicContact CG-CE1 3.95Å; L230-Y271 HydrophobicContact CG-CE2 3.78Å; L230-Y271 HydrophobicContact CG-CG 3.99Å
231H92.6Very high93.6Very high180 Ų18037 Ų3783%0.83322%0.222SC*.THydrogen-bonded Turntrans-55.7125.6-170-177.987000112.6I233H231-I233 PolarHBondContact O-N 2.8Å
232G91.3Very high93.5Very high39 Ų3937.4 Ų37.440%0.40222%0.224SC..THydrogen-bonded Turntrans73.87.3-179.500000114.9L230 K237L230-G232 PolarHBondContact O-N 3.09Å; G232-K237 VanDerWaalsContact O-CD 3.29Å; G232-K237 WeakPolarHBondContact O-CD 3.31Å; G232-K237 WeakPolarHBondContact O-CE 3.47Å; G232-K237 PolarHBondContact O-NZ 3.02Å
233I94Very high93.2Very high14 Ų1442.6 Ų42.67%0.07224%0.241CC..  trans-91.8152.3166.4-51.8-58.1000109.4L221 L230 H231 K237 M257 L261 M263 V265L221-I233 WeakPolarHBondContact O-CG2 3.46Å; L230-I233 HydrophobicContact CB-CG1 3.98Å; L230-I233 WeakPolarHBondContact O-CB 3.19Å; L230-I233 PolarHBondContact O-N 3.44Å; H231-I233 PolarHBondContact O-N 2.8Å; I233-K237 HydrophobicContact CD1-CD 4.19Å; I233-M257 HydrophobicContact CD1-CE 4.18Å; I233-M257 HydrophobicContact CD1-SD 4.01Å; I233-M257 HydrophobicContact CG1-CE 3.97Å; I233-M257 HydrophobicContact CG1-SD 4.15Å; I233-M257 HydrophobicContact CG2-SD 4.37Å; I233-L261 HydrophobicContact CD1-CD1 3.59Å; I233-M263 HydrophobicContact CD1-CE 4.5Å; I233-V265 HydrophobicContact CD1-CG2 4.43Å
234G93.8Very high93Very high22 Ų2246.1 Ų46.123%0.22726%0.257CS..  trans179.1174.1-176.400000109.8G236 K237 A238G234-G236 VanDerWaalsContact C-N 3.33Å; G234-G236 PolarHBondContact O-N 3.23Å; G234-K237 WeakPolarHBondContact O-CA 3.48Å; G234-K237 PolarHBondContact O-N 3.42Å; G234-A238 PolarHBondContact O-N 2.74Å
235L93.6Very high92.7Very high17 Ų1746 Ų469%0.08926%0.256CS..Hα-helixtrans-41.2-50.5-169.5-71.1167.8000115.1I3 L6 F9 M218 A222 K237 A238 C239I3-L235 HydrophobicContact CG2-CD2 3.96Å; I3-L235 HydrophobicContact CG2-CG 4.49Å; L6-L235 HydrophobicContact CB-CD1 4.24Å; L6-L235 HydrophobicContact CD1-CD1 4.27Å; L6-L235 HydrophobicContact CD1-CD2 3.91Å; F9-L235 HydrophobicContact CB-CD1 3.97Å; F9-L235 HydrophobicContact CD2-CB 4.17Å; F9-L235 HydrophobicContact CE2-CB 4.37Å; F9-L235 HydrophobicContact CG-CB 4.28Å; F9-L235 HydrophobicContact CG-CD1 4.31Å; M218-L235 HydrophobicContact CE-CD2 3.93Å; M218-L235 HydrophobicContact CG-CD2 4.41Å; M218-L235 HydrophobicContact SD-CD2 4.35Å; A222-L235 HydrophobicContact CB-CB 4.38Å; A222-L235 HydrophobicContact CB-CD2 3.58Å; A222-L235 HydrophobicContact CB-CG 3.73Å; L235-K237 VanDerWaalsContact C-N 3.32Å; L235-K237 PolarHBondContact O-N 3.27Å; L235-A238 PolarHBondContact O-N 3.45Å; L235-C239 WeakPolarHBondContact O-CB 3.34Å; L235-C239 PolarHBondContact O-N 2.94Å
236G92.9Very high92.3Very high49 Ų4954.5 Ų54.551%0.50529%0.292SS..Hα-helixtrans-63.5-31.2-179.800000114.7G234 K240G234-G236 VanDerWaalsContact C-N 3.33Å; G234-G236 PolarHBondContact O-N 3.23Å; G236-K240 WeakPolarHBondContact O-CB 3.44Å; G236-K240 PolarHBondContact O-N 3.38Å
237K93.6Very high92Very high77 Ų7756.5 Ų56.534%0.33531%0.305SS..Hα-helixtrans-86.8-37.7175.5-68-172.6-169.8172.40112.4G232 I233 G234 L235 K240 L241 L261 M263G232-K237 VanDerWaalsContact O-CD 3.29Å; G232-K237 WeakPolarHBondContact O-CD 3.31Å; G232-K237 WeakPolarHBondContact O-CE 3.47Å; G232-K237 PolarHBondContact O-NZ 3.02Å; I233-K237 HydrophobicContact CD1-CD 4.19Å; G234-K237 WeakPolarHBondContact O-CA 3.48Å; G234-K237 PolarHBondContact O-N 3.42Å; L235-K237 VanDerWaalsContact C-N 3.32Å; L235-K237 PolarHBondContact O-N 3.27Å; K237-K240 PolarHBondContact O-N 2.95Å; K237-L241 PolarHBondContact O-N 2.97Å; K237-L261 HydrophobicContact CB-CD1 4.17Å; K237-L261 HydrophobicContact CB-CD2 4.45Å; K237-M263 HydrophobicContact CD-SD 3.83Å; K237-M263 PolarHBondContact NZ-SD 3.44Å
238A94.4Very high91.6Very high0 Ų061.7 Ų61.70%034%0.339CS..Hα-helixtrans-59.8-46.8173.300000111M218 L221 A222 G234 L235 L241 L242M218-A238 HydrophobicContact CG-CB 3.95Å; M218-A238 WeakPolarHBondContact O-CB 3.43Å; L221-A238 HydrophobicContact CB-CB 3.74Å; A222-A238 HydrophobicContact CB-CB 4.4Å; G234-A238 PolarHBondContact O-N 2.74Å; L235-A238 PolarHBondContact O-N 3.45Å; A238-L241 WeakPolarHBondContact O-CB 3.45Å; A238-L241 PolarHBondContact O-N 3.04Å; A238-L242 WeakPolarHBondContact O-CG 3.39Å; A238-L242 PolarHBondContact O-N 3.07Å; A238-L242 VanDerWaalsContact O-N 3.16Å
239C93.5Very high91.5Very high3 Ų359.4 Ų59.42%0.0232%0.322CS..Hα-helixtrans-59.5-49.1171.6-179.70000111.5F9 S205 M218 L235 L241 L242 R243F9-C239 HydrophobicContact CZ-CB 3.96Å; S205-C239 PolarHBondContact O-SG 3.26Å; M218-C239 HydrophobicContact CG-CB 4.26Å; M218-C239 HydrophobicContact SD-CB 3.82Å; L235-C239 WeakPolarHBondContact O-CB 3.34Å; L235-C239 PolarHBondContact O-N 2.94Å; C239-L241 VanDerWaalsContact C-N 3.27Å; C239-L241 PolarHBondContact O-N 3.41Å; C239-L242 PolarHBondContact O-N 3.07Å; C239-R243 WeakPolarHBondContact O-CB 3.26Å; C239-R243 VanDerWaalsContact O-CG 3.23Å; C239-R243 WeakPolarHBondContact O-CG 2.98Å; C239-R243 PolarHBondContact O-N 3.39Å; C239-R243 WeakPolarHBondContact SG-CD 3.35Å
240K92.6Very high91.3Very high99 Ų9958.2 Ų58.243%0.4331%0.311SS..Hα-helixtrans-56.4-39.3177.5-174.1-172.6169.2-168.10112.5G236 K237 L244 L261G236-K240 WeakPolarHBondContact O-CB 3.44Å; G236-K240 PolarHBondContact O-N 3.38Å; K237-K240 PolarHBondContact O-N 2.95Å; K240-L244 HydrophobicContact CG-CD1 3.97Å; K240-L244 VanDerWaalsContact O-CG 3.27Å; K240-L244 WeakPolarHBondContact O-CG 3.45Å; K240-L244 PolarHBondContact O-N 3.42Å; K240-L261 HydrophobicContact CB-CD2 4.29Å; K240-L261 HydrophobicContact CD-CD2 4.09Å; K240-L261 HydrophobicContact CG-CD2 4.28Å
241L93Very high91.3Very high0 Ų059.3 Ų59.30%032%0.317CS..Hα-helixtrans-61.3-53.4175.917966000111L221 K237 A238 C239 R243 L244 A245 V253 M257 Y260 L261L221-L241 HydrophobicContact CD1-CD2 3.97Å; K237-L241 PolarHBondContact O-N 2.97Å; A238-L241 WeakPolarHBondContact O-CB 3.45Å; A238-L241 PolarHBondContact O-N 3.04Å; C239-L241 VanDerWaalsContact C-N 3.27Å; C239-L241 PolarHBondContact O-N 3.41Å; L241-R243 PolarHBondContact O-N 3.42Å; L241-L244 PolarHBondContact O-N 2.79Å; L241-A245 WeakPolarHBondContact O-CB 3.39Å; L241-A245 PolarHBondContact O-N 3.31Å; L241-V253 HydrophobicContact CD1-CG1 3.89Å; L241-V253 HydrophobicContact CD2-CG1 4.01Å; L241-V253 HydrophobicContact CG-CG1 3.81Å; L241-M257 HydrophobicContact CD1-CB 4.23Å; L241-M257 HydrophobicContact CD1-CG 4.09Å; L241-M257 HydrophobicContact CD2-CB 4.04Å; L241-M257 HydrophobicContact CD2-CG 3.73Å; L241-M257 HydrophobicContact CD2-SD 3.87Å; L241-M257 HydrophobicContact CG-CG 4.47Å; L241-Y260 VanDerWaalsContact CD1-CB 3.47Å; L241-Y260 HydrophobicContact CD1-CD2 3.68Å; L241-Y260 HydrophobicContact CD1-CG 3.77Å; L241-L261 HydrophobicContact CB-CD2 4.28Å
242L92.3Very high91.3Very high9 Ų956.2 Ų56.25%0.04730%0.301CS..Hα-helixtrans-70.5-16.8-174.5-64.5167.6000114.4V209 K214 H217 M218 L221 A238 C239 I250V209-L242 HydrophobicContact CG1-CD1 4.28Å; V209-L242 HydrophobicContact CG2-CB 3.84Å; K214-L242 PolarHBondContact NZ-O 2.84Å; K214-L242 WeakPolarHBondContact O-CD1 3.48Å; H217-L242 HydrophobicContact CB-CD1 4.17Å; H217-L242 HydrophobicContact CB-CD2 4.4Å; M218-L242 HydrophobicContact CB-CD1 3.68Å; L221-L242 HydrophobicContact CD1-CD1 4.4Å; L221-L242 HydrophobicContact CD1-CG 4.47Å; A238-L242 WeakPolarHBondContact O-CG 3.39Å; A238-L242 PolarHBondContact O-N 3.07Å; A238-L242 VanDerWaalsContact O-N 3.16Å; C239-L242 PolarHBondContact O-N 3.07Å; L242-I250 HydrophobicContact CD2-CD1 3.61Å
243R90.2Very high91.4Very high122 Ų12254.5 Ų54.546%0.4628%0.283SS..Hα-helixtrans-85.8-20.7170-67.7173.657.7168.2-2.9114.1S205 L206 D208 V209 C239 L241S205-R243 PolarHBondContact O-NH1 3.06Å; L206-R243 WeakPolarHBondContact O-CD 3.4Å; D208-R243 WeakPolarHBondContact OD1-CG 3.41Å; V209-R243 HydrophobicContact CG2-CG 3.58Å; C239-R243 WeakPolarHBondContact O-CB 3.26Å; C239-R243 VanDerWaalsContact O-CG 3.23Å; C239-R243 WeakPolarHBondContact O-CG 2.98Å; C239-R243 PolarHBondContact O-N 3.39Å; C239-R243 WeakPolarHBondContact SG-CD 3.35Å; L241-R243 PolarHBondContact O-N 3.42Å
244L89.8Confident91.3Very high86 Ų8653.8 Ų53.845%0.4528%0.279SS..Hα-helixtrans-97-31.7177.8-71.5173.7000111.9K240 L241 Y260K240-L244 HydrophobicContact CG-CD1 3.97Å; K240-L244 VanDerWaalsContact O-CG 3.27Å; K240-L244 WeakPolarHBondContact O-CG 3.45Å; K240-L244 PolarHBondContact O-N 3.42Å; L241-L244 PolarHBondContact O-N 2.79Å; L244-Y260 HydrophobicContact CB-CD1 4.17Å
245A88.3Confident91.3Very high10 Ų1058.6 Ų58.68%0.08329%0.29CS..  trans-67.9128.217400000111.3L241 V253L241-A245 WeakPolarHBondContact O-CB 3.39Å; L241-A245 PolarHBondContact O-N 3.31Å; A245-V253 HydrophobicContact CB-CB 4.28Å; A245-V253 HydrophobicContact CB-CG1 3.54Å; A245-V253 HydrophobicContact CB-CG2 3.65Å
246K83.8Confident91.2Very high201 Ų20162.3 Ų62.387%0.87431%0.306SS*.  trans-108.2-15.1170.2-64.6-174.5179.1-176.60112.9
247D86.2Confident91.1Very high68 Ų6860 Ų6036%0.36428%0.282SS..  trans-66.3132.2176-50.3-80000109.9D249 V253 Y260D247-D249 VanDerWaalsContact C-N 3.26Å; D247-V253 HydrophobicContact CB-CG2 3.89Å; D247-Y260 PolarHBondContact OD2-OH 3.14Å
248P85.1Confident90.9Very high125 Ų12557 Ų5781%0.81227%0.273SS*.SBendtrans-73.3-21.4173.930.2-34.9000112.3I250P248-I250 PolarHBondContact O-N 2.84Å; P248-I250 VanDerWaalsContact O-N 3.11Å
249D90.9Very high90.7Very high53 Ų5364 Ų6428%0.28331%0.305SS..  trans-77.795.5176.6-176.8-28.5000110.6D247 L251 K252 V253D247-D249 VanDerWaalsContact C-N 3.26Å; D249-L251 PolarHBondContact O-N 2.88Å; D249-L251 WeakPolarHBondContact OD1-CA 3.37Å; D249-L251 WeakPolarHBondContact OD1-CB 3.42Å; D249-L251 PolarHBondContact OD1-N 2.68Å; D249-K252 HydrophobicContact CB-CB 4.15Å; D249-K252 HydrophobicContact CB-CD 4.02Å; D249-K252 HydrophobicContact CB-CG 4.15Å; D249-K252 PolarHBondContact O-N 3.04Å; D249-K252 PolarHBondContact OD1-N 2.65Å; D249-K252 WeakPolarHBondContact OD2-CD 3.29Å; D249-K252 WeakPolarHBondContact OD2-CE 3.36Å; D249-K252 WeakPolarHBondContact OD2-CG 3.45Å; D249-K252 IonicContact OD2-NZ 3.95Å; D249-K252 PolarHBondContact OD2-NZ 3.43Å; D249-V253 WeakPolarHBondContact O-CG2 3.34Å; D249-V253 PolarHBondContact O-N 2.81Å; D249-V253 VanDerWaalsContact O-N 3.13Å
250I92.1Very high90.6Very high25 Ų2566.7 Ų66.713%0.12832%0.316CS..Hα-helixtrans-57.6-28.9178-173.158.7000113.2H217 L242 P248 V253 I254 F275H217-I250 HydrophobicContact CB-CD1 4.36Å; L242-I250 HydrophobicContact CD2-CD1 3.61Å; P248-I250 PolarHBondContact O-N 2.84Å; P248-I250 VanDerWaalsContact O-N 3.11Å; I250-V253 HydrophobicContact CD1-CB 4.4Å; I250-V253 HydrophobicContact CD1-CG1 4.49Å; I250-V253 WeakPolarHBondContact O-CB 3.42Å; I250-V253 PolarHBondContact O-N 3.43Å; I250-I254 HydrophobicContact CD1-CD1 4.33Å; I250-I254 HydrophobicContact CD1-CG1 4.32Å; I250-I254 HydrophobicContact CG1-CD1 3.9Å; I250-I254 HydrophobicContact CG1-CG1 4.35Å; I250-I254 WeakPolarHBondContact O-CB 3.02Å; I250-I254 VanDerWaalsContact O-CG1 3.23Å; I250-I254 WeakPolarHBondContact O-CG1 3.02Å; I250-I254 PolarHBondContact O-N 3.49Å; I250-F275 HydrophobicContact CG1-CE1 3.7Å; I250-F275 HydrophobicContact CG1-CZ 3.72Å; I250-F275 HydrophobicContact CG2-CE1 4Å
251L93.2Very high90.5Very high47 Ų4762.4 Ų62.425%0.24630%0.298CS..Hα-helixtrans-74-37.6-179.7-50.1-178.3000110.9D249 V253 I254 R255 V272 F275 V276D249-L251 PolarHBondContact O-N 2.88Å; D249-L251 WeakPolarHBondContact OD1-CA 3.37Å; D249-L251 WeakPolarHBondContact OD1-CB 3.42Å; D249-L251 PolarHBondContact OD1-N 2.68Å; L251-V253 VanDerWaalsContact C-N 3.34Å; L251-I254 PolarHBondContact O-N 3.28Å; L251-R255 WeakPolarHBondContact O-CG 3.42Å; L251-R255 PolarHBondContact O-N 2.93Å; L251-V272 HydrophobicContact CB-CG1 4.27Å; L251-V272 HydrophobicContact CD2-CG1 3.92Å; L251-V272 HydrophobicContact CG-CG1 4.49Å; L251-F275 HydrophobicContact CD2-CD1 4.13Å; L251-V276 HydrophobicContact CD1-CG2 4.19Å; L251-V276 HydrophobicContact CD2-CG2 3.75Å
252K92.3Very high90.4Very high115 Ų11571.7 Ų71.750%0.534%0.338SS..Hα-helixtrans-63.9-39.1169.5-72.2179.9-17897.50111.6D249 K256D249-K252 HydrophobicContact CB-CB 4.15Å; D249-K252 HydrophobicContact CB-CD 4.02Å; D249-K252 HydrophobicContact CB-CG 4.15Å; D249-K252 PolarHBondContact O-N 3.04Å; D249-K252 PolarHBondContact OD1-N 2.65Å; D249-K252 WeakPolarHBondContact OD2-CD 3.29Å; D249-K252 WeakPolarHBondContact OD2-CE 3.36Å; D249-K252 WeakPolarHBondContact OD2-CG 3.45Å; D249-K252 IonicContact OD2-NZ 3.95Å; D249-K252 PolarHBondContact OD2-NZ 3.43Å; K252-K256 WeakPolarHBondContact O-CB 3.39Å; K252-K256 WeakPolarHBondContact O-CG 3.33Å; K252-K256 PolarHBondContact O-N 3.15Å
253V93.1Very high90.3Very high2 Ų274 Ų741%0.01235%0.349CS..Hα-helixtrans-64.1-44.9175.8174.30000111.5L241 A245 D247 D249 I250 L251 K256 M257 Y260L241-V253 HydrophobicContact CD1-CG1 3.89Å; L241-V253 HydrophobicContact CD2-CG1 4.01Å; L241-V253 HydrophobicContact CG-CG1 3.81Å; A245-V253 HydrophobicContact CB-CB 4.28Å; A245-V253 HydrophobicContact CB-CG1 3.54Å; A245-V253 HydrophobicContact CB-CG2 3.65Å; D247-V253 HydrophobicContact CB-CG2 3.89Å; D249-V253 WeakPolarHBondContact O-CG2 3.34Å; D249-V253 PolarHBondContact O-N 2.81Å; D249-V253 VanDerWaalsContact O-N 3.13Å; I250-V253 HydrophobicContact CD1-CB 4.4Å; I250-V253 HydrophobicContact CD1-CG1 4.49Å; I250-V253 WeakPolarHBondContact O-CB 3.42Å; I250-V253 PolarHBondContact O-N 3.43Å; L251-V253 VanDerWaalsContact C-N 3.34Å; V253-K256 CarbonylContact O-C 3.45Å; V253-K256 PolarHBondContact O-N 3.29Å; V253-M257 PolarHBondContact O-N 2.99Å; V253-Y260 HydrophobicContact CG1-CE2 4.41Å
254I93.5Very high90.1Very high0 Ų076.7 Ų76.70%037%0.373CS..Hα-helixtrans-62.9-50.9178.7-74.4169.6000111L221 I250 L251 K256 M257 V267 Y271 V272 F275L221-I254 HydrophobicContact CD2-CD1 3.96Å; L221-I254 HydrophobicContact CD2-CG1 3.92Å; I250-I254 HydrophobicContact CD1-CD1 4.33Å; I250-I254 HydrophobicContact CD1-CG1 4.32Å; I250-I254 HydrophobicContact CG1-CD1 3.9Å; I250-I254 HydrophobicContact CG1-CG1 4.35Å; I250-I254 WeakPolarHBondContact O-CB 3.02Å; I250-I254 VanDerWaalsContact O-CG1 3.23Å; I250-I254 WeakPolarHBondContact O-CG1 3.02Å; I250-I254 PolarHBondContact O-N 3.49Å; L251-I254 PolarHBondContact O-N 3.28Å; I254-K256 PolarHBondContact O-N 3.32Å; I254-K256 VanDerWaalsContact O-N 3.16Å; I254-M257 WeakPolarHBondContact O-CB 3.43Å; I254-M257 PolarHBondContact O-N 3.2Å; I254-V267 HydrophobicContact CG2-CG1 3.95Å; I254-Y271 HydrophobicContact CG2-CD1 4.3Å; I254-Y271 HydrophobicContact CG2-CE1 4.35Å; I254-V272 HydrophobicContact CG2-CG2 4.29Å; I254-F275 HydrophobicContact CD1-CB 4.26Å; I254-F275 HydrophobicContact CD1-CD1 3.5Å; I254-F275 VanDerWaalsContact CD1-CD1 3.5Å; I254-F275 HydrophobicContact CD1-CD2 3.61Å; I254-F275 HydrophobicContact CD1-CE1 3.65Å; I254-F275 HydrophobicContact CD1-CE2 3.77Å; I254-F275 HydrophobicContact CD1-CG 3.48Å; I254-F275 VanDerWaalsContact CD1-CG 3.48Å; I254-F275 HydrophobicContact CD1-CZ 3.78Å
255R93.1Very high90.1Very high122 Ų12273.9 Ų73.946%0.4636%0.359SS..Hα-helixtrans-60.5-26.3177.9-67.6-173-167.8104.4-11.5112.9L251 E269 V272L251-R255 WeakPolarHBondContact O-CG 3.42Å; L251-R255 PolarHBondContact O-N 2.93Å; R255-E269 IonicContact CZ-OE1 3.58Å; R255-E269 VanDerWaalsContact CZ-OE1 3.28Å; R255-E269 IonicContact CZ-OE2 2.69Å; R255-E269 IonicContact NE-OE1 3.15Å; R255-E269 PolarHBondContact NE-OE1 3.06Å; R255-E269 VanDerWaalsContact NE-OE1 3.15Å; R255-E269 IonicContact NE-OE2 3.03Å; R255-E269 PolarHBondContact NE-OE2 3.29Å; R255-E269 IonicContact NH2-OE1 3.49Å; R255-E269 PolarHBondContact NH2-OE1 2.98Å; R255-E269 IonicContact NH2-OE2 3.87Å; R255-V272 HydrophobicContact CG-CG2 4.03Å
256K91.5Very high90.1Very high96 Ų9679.7 Ų79.742%0.41739%0.393SS..THydrogen-bonded Turntrans-95.55.1174.6-67.1-177.8-178.9178.90114.8K252 V253 I254 G258 Q259 Y260K252-K256 WeakPolarHBondContact O-CB 3.39Å; K252-K256 WeakPolarHBondContact O-CG 3.33Å; K252-K256 PolarHBondContact O-N 3.15Å; V253-K256 CarbonylContact O-C 3.45Å; V253-K256 PolarHBondContact O-N 3.29Å; I254-K256 PolarHBondContact O-N 3.32Å; I254-K256 VanDerWaalsContact O-N 3.16Å; K256-G258 VanDerWaalsContact C-N 3.29Å; K256-G258 PolarHBondContact O-N 2.7Å; K256-G258 VanDerWaalsContact O-N 3.12Å; K256-Q259 WeakPolarHBondContact O-CB 3.08Å; K256-Q259 PolarHBondContact O-N 2.88Å; K256-Y260 HydrophobicContact CB-CD2 4.14Å; K256-Y260 HydrophobicContact CB-CE2 3.9Å; K256-Y260 PolarHBondContact O-N 3.2Å
257M91.3Very high90.5Very high1 Ų171.4 Ų71.41%0.00536%0.359CS..Hα-helixtrans-53.7-39.8-170.3174.117560.900114.1L230 I233 L241 V253 I254 Q259 Y260 L261 V265 V267L230-M257 HydrophobicContact CB-CE 4.5Å; L230-M257 HydrophobicContact CD1-CE 3.49Å; L230-M257 VanDerWaalsContact CD1-CE 3.49Å; I233-M257 HydrophobicContact CD1-CE 4.18Å; I233-M257 HydrophobicContact CD1-SD 4.01Å; I233-M257 HydrophobicContact CG1-CE 3.97Å; I233-M257 HydrophobicContact CG1-SD 4.15Å; I233-M257 HydrophobicContact CG2-SD 4.37Å; L241-M257 HydrophobicContact CD1-CB 4.23Å; L241-M257 HydrophobicContact CD1-CG 4.09Å; L241-M257 HydrophobicContact CD2-CB 4.04Å; L241-M257 HydrophobicContact CD2-CG 3.73Å; L241-M257 HydrophobicContact CD2-SD 3.87Å; L241-M257 HydrophobicContact CG-CG 4.47Å; V253-M257 PolarHBondContact O-N 2.99Å; I254-M257 WeakPolarHBondContact O-CB 3.43Å; I254-M257 PolarHBondContact O-N 3.2Å; M257-Q259 VanDerWaalsContact C-N 3.26Å; M257-Q259 PolarHBondContact O-N 3.44Å; M257-Y260 PolarHBondContact O-N 3.14Å; M257-L261 HydrophobicContact CG-CD1 3.59Å; M257-L261 HydrophobicContact CG-CG 4.09Å; M257-L261 WeakPolarHBondContact O-CB 3.47Å; M257-L261 PolarHBondContact O-N 2.81Å; M257-L261 HydrophobicContact SD-CD1 3.97Å; M257-V265 HydrophobicContact CE-CG1 3.96Å; M257-V267 HydrophobicContact CE-CG2 4.12Å
258G88.9Confident90.9Very high14 Ų1471.1 Ų71.114%0.14436%0.361CS..Hα-helixtrans-58.7-36178.100000113.4K256 K262 M263K256-G258 VanDerWaalsContact C-N 3.29Å; K256-G258 PolarHBondContact O-N 2.7Å; K256-G258 VanDerWaalsContact O-N 3.12Å; G258-K262 WeakPolarHBondContact O-CA 3.15Å; G258-K262 PolarHBondContact O-N 3.25Å; G258-M263 CarbonylContact C-O 3.48Å; G258-M263 WeakPolarHBondContact CA-O 3.4Å; G258-M263 PolarHBondContact O-N 2.84Å
259Q90.2Very high91.4Very high145 Ų14569.6 Ų69.668%0.67834%0.343SS*.Hα-helixtrans-67.4-50.3177.6-56.7176.1-10.100110.7K256 M257 L261 K262K256-Q259 WeakPolarHBondContact O-CB 3.08Å; K256-Q259 PolarHBondContact O-N 2.88Å; M257-Q259 VanDerWaalsContact C-N 3.26Å; M257-Q259 PolarHBondContact O-N 3.44Å; Q259-L261 PolarHBondContact O-N 2.71Å; Q259-K262 PolarHBondContact O-N 2.76Å
260Y90.5Very high91.5Very high60 Ų6074.1 Ų74.124%0.23536%0.363CS..Hα-helixtrans-61.2-40.4178.3-74.3-68.8000113.3L241 L244 D247 V253 K256 M257L241-Y260 VanDerWaalsContact CD1-CB 3.47Å; L241-Y260 HydrophobicContact CD1-CD2 3.68Å; L241-Y260 HydrophobicContact CD1-CG 3.77Å; L244-Y260 HydrophobicContact CB-CD1 4.17Å; D247-Y260 PolarHBondContact OD2-OH 3.14Å; V253-Y260 HydrophobicContact CG1-CE2 4.41Å; K256-Y260 HydrophobicContact CB-CD2 4.14Å; K256-Y260 HydrophobicContact CB-CE2 3.9Å; K256-Y260 PolarHBondContact O-N 3.2Å; M257-Y260 PolarHBondContact O-N 3.14Å
261L91.5Very high91.7Very high10 Ų1073.7 Ų73.75%0.05236%0.36CS..Hα-helixtrans-84.6-12.2-178.1-65.1-177.7000113.8I233 K237 K240 L241 M257 Q259 M263I233-L261 HydrophobicContact CD1-CD1 3.59Å; K237-L261 HydrophobicContact CB-CD1 4.17Å; K237-L261 HydrophobicContact CB-CD2 4.45Å; K240-L261 HydrophobicContact CB-CD2 4.29Å; K240-L261 HydrophobicContact CD-CD2 4.09Å; K240-L261 HydrophobicContact CG-CD2 4.28Å; L241-L261 HydrophobicContact CB-CD2 4.28Å; M257-L261 HydrophobicContact CG-CD1 3.59Å; M257-L261 HydrophobicContact CG-CG 4.09Å; M257-L261 WeakPolarHBondContact O-CB 3.47Å; M257-L261 PolarHBondContact O-N 2.81Å; M257-L261 HydrophobicContact SD-CD1 3.97Å; Q259-L261 PolarHBondContact O-N 2.71Å; L261-M263 HydrophobicContact CB-CB 4.48Å; L261-M263 HydrophobicContact CB-CG 4.3Å; L261-M263 HydrophobicContact CB-SD 4.37Å
262K90.5Very high91.8Very high195 Ų19571.6 Ų71.685%0.84835%0.349SS*.THydrogen-bonded Turntrans5651.7-169.1-56.1-171.3178.7-170.70111.7G258 Q259G258-K262 WeakPolarHBondContact O-CA 3.15Å; G258-K262 PolarHBondContact O-N 3.25Å; Q259-K262 PolarHBondContact O-N 2.76Å
263M90.4Very high91.9Very high56 Ų5671.2 Ų71.228%0.27635%0.349SS..SBendtrans-136.7142.6-179.8-69.9179.954.100111.1I233 K237 G258 L261 V265I233-M263 HydrophobicContact CD1-CE 4.5Å; K237-M263 HydrophobicContact CD-SD 3.83Å; K237-M263 PolarHBondContact NZ-SD 3.44Å; G258-M263 CarbonylContact C-O 3.48Å; G258-M263 WeakPolarHBondContact CA-O 3.4Å; G258-M263 PolarHBondContact O-N 2.84Å; L261-M263 HydrophobicContact CB-CB 4.48Å; L261-M263 HydrophobicContact CB-CG 4.3Å; L261-M263 HydrophobicContact CB-SD 4.37Å; M263-V265 HydrophobicContact CB-CG2 3.94Å; M263-V265 HydrophobicContact CE-CG2 3.81Å; M263-V265 PolarHBondContact O-N 3Å
264N86.6Confident92Very high179 Ų17971.3 Ų71.396%0.95735%0.35SS*.  trans-76.573172.6-63.8-1.7000110
265V88.7Confident92.2Very high28 Ų2871.4 Ų71.417%0.1735%0.351CS..  trans-108.6111.1173.3-179.40000108.2L230 I233 M257 M263 V267L230-V265 HydrophobicContact CB-CG1 4.48Å; L230-V265 HydrophobicContact CD1-CG1 4.34Å; I233-V265 HydrophobicContact CD1-CG2 4.43Å; M257-V265 HydrophobicContact CE-CG1 3.96Å; M263-V265 HydrophobicContact CB-CG2 3.94Å; M263-V265 HydrophobicContact CE-CG2 3.81Å; M263-V265 PolarHBondContact O-N 3Å; V265-V267 HydrophobicContact CG1-CG2 4.45Å
266V88.4Confident92.3Very high131 Ų13168 Ų6879%0.79434%0.344SS*.  trans-75.9135165.3-178.10000107.8
267V93.2Very high92.5Very high27 Ų2769.2 Ų69.216%0.16435%0.345CS..  trans-109.1110.8177-179.70000107.8L230 I254 M257 V265 Y271 V272L230-V267 HydrophobicContact CD1-CG1 4.25Å; L230-V267 HydrophobicContact CD1-CG2 3.96Å; I254-V267 HydrophobicContact CG2-CG1 3.95Å; M257-V267 HydrophobicContact CE-CG2 4.12Å; V265-V267 HydrophobicContact CG1-CG2 4.45Å; V267-Y271 HydrophobicContact CG1-CD1 3.96Å; V267-V272 HydrophobicContact CG1-CG2 4.09Å
268P94.5Very high92.7Very high63 Ų6369.2 Ų69.241%0.40935%0.345SS..  trans-66.2145.2173.5-18.632000110.6Q270 Y271P268-Q270 PolarHBondContact O-N 2.86Å; P268-Y271 WeakPolarHBondContact O-CA 3.4Å; P268-Y271 VanDerWaalsContact O-CB 3.25Å; P268-Y271 WeakPolarHBondContact O-CB 3.43Å; P268-Y271 PolarHBondContact O-N 3.17Å
269E94.1Very high93Very high92 Ų9269.6 Ų69.643%0.4334%0.344SS..Hα-helixtrans-64.5-31.7178.9-161.959.2-149.200111.8R255 Y271 V272 E273R255-E269 IonicContact CZ-OE1 3.58Å; R255-E269 VanDerWaalsContact CZ-OE1 3.28Å; R255-E269 IonicContact CZ-OE2 2.69Å; R255-E269 IonicContact NE-OE1 3.15Å; R255-E269 PolarHBondContact NE-OE1 3.06Å; R255-E269 VanDerWaalsContact NE-OE1 3.15Å; R255-E269 IonicContact NE-OE2 3.03Å; R255-E269 PolarHBondContact NE-OE2 3.29Å; R255-E269 IonicContact NH2-OE1 3.49Å; R255-E269 PolarHBondContact NH2-OE1 2.98Å; R255-E269 IonicContact NH2-OE2 3.87Å; E269-Y271 PolarHBondContact O-N 3.05Å; E269-Y271 VanDerWaalsContact O-N 3.13Å; E269-V272 WeakPolarHBondContact O-CA 3.25Å; E269-V272 VanDerWaalsContact O-CB 3.31Å; E269-V272 WeakPolarHBondContact O-CB 3.34Å; E269-V272 PolarHBondContact O-N 3.19Å; E269-E273 PolarHBondContact O-N 3.15Å
270Q94.7Very high93.3Very high148 Ų14863.6 Ų63.669%0.69232%0.317SS*.Hα-helixtrans-54.1-29.2168.3-67.3176.4-14.700113.7P268 G274P268-Q270 PolarHBondContact O-N 2.86Å; Q270-G274 PolarHBondContact O-N 3Å
271Y95.4Very high93.6Very high17 Ų1760.8 Ų60.87%0.06731%0.306CS..Hα-helixtrans-75.6-32.5174.1-176.8-95.9000111.8L221 L227 P228 L230 I254 V267 P268 E269 G274 F275L221-Y271 HydrophobicContact CD2-CE1 4.25Å; L227-Y271 HydrophobicContact CD1-CD2 4.17Å; L227-Y271 HydrophobicContact CD1-CE2 4.2Å; L227-Y271 HydrophobicContact CD2-CD2 4.13Å; L227-Y271 HydrophobicContact CD2-CE2 3.53Å; L227-Y271 HydrophobicContact CG-CD2 4.28Å; L227-Y271 HydrophobicContact CG-CE2 3.79Å; P228-Y271 WeakPolarHBondContact O-CE2 3.42Å; L230-Y271 HydrophobicContact CD1-CD1 3.57Å; L230-Y271 HydrophobicContact CD1-CD2 4.32Å; L230-Y271 HydrophobicContact CD1-CE1 3.52Å; L230-Y271 HydrophobicContact CD1-CE2 4.3Å; L230-Y271 HydrophobicContact CD1-CG 3.98Å; L230-Y271 HydrophobicContact CD2-CD2 4.05Å; L230-Y271 HydrophobicContact CD2-CE2 4.44Å; L230-Y271 HydrophobicContact CD2-CG 4.1Å; L230-Y271 HydrophobicContact CG-CD1 4.04Å; L230-Y271 HydrophobicContact CG-CD2 3.86Å; L230-Y271 HydrophobicContact CG-CE1 3.95Å; L230-Y271 HydrophobicContact CG-CE2 3.78Å; L230-Y271 HydrophobicContact CG-CG 3.99Å; I254-Y271 HydrophobicContact CG2-CD1 4.3Å; I254-Y271 HydrophobicContact CG2-CE1 4.35Å; V267-Y271 HydrophobicContact CG1-CD1 3.96Å; P268-Y271 WeakPolarHBondContact O-CA 3.4Å; P268-Y271 VanDerWaalsContact O-CB 3.25Å; P268-Y271 WeakPolarHBondContact O-CB 3.43Å; P268-Y271 PolarHBondContact O-N 3.17Å; E269-Y271 PolarHBondContact O-N 3.05Å; E269-Y271 VanDerWaalsContact O-N 3.13Å; Y271-G274 PolarHBondContact O-N 3.14Å; Y271-F275 WeakPolarHBondContact O-CB 3.37Å; Y271-F275 PolarHBondContact O-N 3.22Å
272V95.8Very high93.8Very high3 Ų360.3 Ų60.32%0.01830%0.304CS..Hα-helixtrans-68.4-45.3174.6-171.10000109.8L251 I254 R255 V267 E269 F275 V276L251-V272 HydrophobicContact CB-CG1 4.27Å; L251-V272 HydrophobicContact CD2-CG1 3.92Å; L251-V272 HydrophobicContact CG-CG1 4.49Å; I254-V272 HydrophobicContact CG2-CG2 4.29Å; R255-V272 HydrophobicContact CG-CG2 4.03Å; V267-V272 HydrophobicContact CG1-CG2 4.09Å; E269-V272 WeakPolarHBondContact O-CA 3.25Å; E269-V272 VanDerWaalsContact O-CB 3.31Å; E269-V272 WeakPolarHBondContact O-CB 3.34Å; E269-V272 PolarHBondContact O-N 3.19Å; V272-F275 WeakPolarHBondContact O-CB 3.23Å; V272-F275 PolarHBondContact O-N 3.26Å; V272-V276 WeakPolarHBondContact O-CG2 3.1Å; V272-V276 PolarHBondContact O-N 3.42Å
273E94.6Very high94.1Very high107 Ų10752 Ų5250%0.527%0.268SS..Hα-helixtrans-61.1-42.2171.4-65.5171.1-177.300112.3E269 F275 V276 R277E269-E273 PolarHBondContact O-N 3.15Å; E273-F275 VanDerWaalsContact C-N 3.34Å; E273-V276 PolarHBondContact O-N 3.45Å; E273-R277 WeakPolarHBondContact O-CG 3.42Å; E273-R277 PolarHBondContact O-N 3.12Å; E273-R277 PolarHBondContact O-NE 2.83Å
274G95.5Very high94.4Very high4 Ų450.3 Ų50.34%0.04126%0.259CS..Hα-helixtrans-61.7-39.6174.200000112.6Q270 Y271 R277 A278Q270-G274 PolarHBondContact O-N 3Å; Y271-G274 PolarHBondContact O-N 3.14Å; G274-R277 PolarHBondContact O-N 3.49Å; G274-A278 WeakPolarHBondContact O-CB 3.3Å; G274-A278 PolarHBondContact O-N 3.23Å
275F96.6Very high94.9Very high1 Ų141.8 Ų41.80%0.00421%0.213CC..Hα-helixtrans-64.7-44.2175.1-178.2-88.3000112.1H217 I220 L221 L227 I250 L251 I254 Y271 V272 E273 A278 N279H217-F275 HydrophobicContact CB-CZ 4.03Å; H217-F275 AromaticContact CD2-CZ 3.58Å; H217-F275 AromaticContact CG-CZ 3.83Å; I220-F275 HydrophobicContact CB-CD2 4.14Å; I220-F275 HydrophobicContact CB-CE2 3.84Å; I220-F275 HydrophobicContact CD1-CE2 4.4Å; I220-F275 HydrophobicContact CG2-CD2 3.45Å; I220-F275 VanDerWaalsContact CG2-CD2 3.45Å; I220-F275 HydrophobicContact CG2-CE2 3.69Å; I220-F275 HydrophobicContact CG2-CG 4.37Å; L221-F275 HydrophobicContact CD2-CD2 4.03Å; L221-F275 HydrophobicContact CD2-CE2 3.97Å; L221-F275 HydrophobicContact CG-CD2 4.4Å; L221-F275 HydrophobicContact CG-CE2 3.89Å; L227-F275 HydrophobicContact CD2-CB 4.12Å; I250-F275 HydrophobicContact CG1-CE1 3.7Å; I250-F275 HydrophobicContact CG1-CZ 3.72Å; I250-F275 HydrophobicContact CG2-CE1 4Å; L251-F275 HydrophobicContact CD2-CD1 4.13Å; I254-F275 HydrophobicContact CD1-CB 4.26Å; I254-F275 HydrophobicContact CD1-CD1 3.5Å; I254-F275 VanDerWaalsContact CD1-CD1 3.5Å; I254-F275 HydrophobicContact CD1-CD2 3.61Å; I254-F275 HydrophobicContact CD1-CE1 3.65Å; I254-F275 HydrophobicContact CD1-CE2 3.77Å; I254-F275 HydrophobicContact CD1-CG 3.48Å; I254-F275 VanDerWaalsContact CD1-CG 3.48Å; I254-F275 HydrophobicContact CD1-CZ 3.78Å; Y271-F275 WeakPolarHBondContact O-CB 3.37Å; Y271-F275 PolarHBondContact O-N 3.22Å; V272-F275 WeakPolarHBondContact O-CB 3.23Å; V272-F275 PolarHBondContact O-N 3.26Å; E273-F275 VanDerWaalsContact C-N 3.34Å; F275-A278 PolarHBondContact O-N 2.86Å; F275-N279 WeakPolarHBondContact O-CB 3.38Å; F275-N279 PolarHBondContact O-N 3.47Å
276V95.4Very high95.3Very high52 Ų5240.9 Ų40.932%0.31521%0.207SC..Hα-helixtrans-60.6-47.4174.7173.20000110.6L251 V272 E273 N279 N280L251-V276 HydrophobicContact CD1-CG2 4.19Å; L251-V276 HydrophobicContact CD2-CG2 3.75Å; V272-V276 WeakPolarHBondContact O-CG2 3.1Å; V272-V276 PolarHBondContact O-N 3.42Å; E273-V276 PolarHBondContact O-N 3.45Å; V276-N279 PolarHBondContact O-N 3.16Å; V276-N280 WeakPolarHBondContact O-CB 3.44Å; V276-N280 VanDerWaalsContact O-CG 3.24Å; V276-N280 PolarHBondContact O-N 2.99Å
277R95.1Very high95.7Very high120 Ų12034.7 Ų34.745%0.45317%0.17SC..Hα-helixtrans-60.2-47.1177-72.7-177.2-72.4157.5-4.7112.3E273 G274 N279 N280 T281 Y312E273-R277 WeakPolarHBondContact O-CG 3.42Å; E273-R277 PolarHBondContact O-N 3.12Å; E273-R277 PolarHBondContact O-NE 2.83Å; G274-R277 PolarHBondContact O-N 3.49Å; R277-N279 PolarHBondContact O-N 3.48Å; R277-N280 PolarHBondContact O-N 3.49Å; R277-T281 PolarHBondContact O-N 3.08Å; R277-T281 PolarHBondContact O-OG1 3.15Å; R277-Y312 HydrophobicContact CB-CD2 4.22Å; R277-Y312 HydrophobicContact CB-CE2 3.87Å; R277-Y312 HydrophobicContact CG-CD1 4.4Å; R277-Y312 HydrophobicContact CG-CD2 4.35Å; R277-Y312 HydrophobicContact CG-CE1 3.99Å; R277-Y312 HydrophobicContact CG-CE2 3.95Å
278A95.9Very high95.9Very high1 Ų133.4 Ų33.41%0.00816%0.162CC..Hα-helixtrans-63.2-42.2178.400000112.7I220 L227 G274 F275 T281 F282I220-A278 HydrophobicContact CD1-CB 4.5Å; I220-A278 HydrophobicContact CG1-CB 4.46Å; I220-A278 HydrophobicContact CG2-CB 3.84Å; L227-A278 HydrophobicContact CB-CB 4.04Å; G274-A278 WeakPolarHBondContact O-CB 3.3Å; G274-A278 PolarHBondContact O-N 3.23Å; F275-A278 PolarHBondContact O-N 2.86Å; A278-T281 PolarHBondContact O-N 3.36Å; A278-F282 WeakPolarHBondContact O-CD2 3.49Å; A278-F282 PolarHBondContact O-N 3.44Å
279N96.3Very high96Very high23 Ų2331.1 Ų31.112%0.12315%0.146CC..Hα-helixtrans-64.7-40.6175.7-174.856.4000111.8R216 H217 I220 F275 V276 R277 F282 L283R216-N279 WeakPolarHBondContact CD-OD1 3.25Å; R216-N279 PolarHBondContact NE-OD1 3.3Å; H217-N279 PolarHBondContact NE2-OD1 3.35Å; I220-N279 HydrophobicContact CD1-CB 3.81Å; F275-N279 WeakPolarHBondContact O-CB 3.38Å; F275-N279 PolarHBondContact O-N 3.47Å; V276-N279 PolarHBondContact O-N 3.16Å; R277-N279 PolarHBondContact O-N 3.48Å; N279-F282 PolarHBondContact O-N 3.24Å; N279-L283 WeakPolarHBondContact O-CB 3.41Å; N279-L283 WeakPolarHBondContact O-CG 3.21Å; N279-L283 PolarHBondContact O-N 2.97Å
280N96Very high96Very high19 Ų1926.8 Ų26.810%0.10213%0.126CC..Hα-helixtrans-67.1-34.2175.2-73.8-6.4000112.5V276 R277 L283 Y284 L310 Y312V276-N280 WeakPolarHBondContact O-CB 3.44Å; V276-N280 VanDerWaalsContact O-CG 3.24Å; V276-N280 PolarHBondContact O-N 2.99Å; R277-N280 PolarHBondContact O-N 3.49Å; N280-L283 PolarHBondContact O-N 3.21Å; N280-Y284 HydrophobicContact CB-CD2 4.03Å; N280-Y284 HydrophobicContact CB-CE2 4.42Å; N280-Y284 WeakPolarHBondContact O-CA 3.42Å; N280-Y284 WeakPolarHBondContact O-CB 3.33Å; N280-Y284 WeakPolarHBondContact O-CD2 3.48Å; N280-Y284 PolarHBondContact O-N 2.88Å; N280-L310 HydrophobicContact CB-CD2 4.19Å; N280-Y312 HydrophobicContact CB-CE2 4.03Å; N280-Y312 PolarHBondContact ND2-OH 2.8Å
281T96.3Very high95.7Very high0 Ų022 Ų220%012%0.116CC..Hα-helixtrans-63.6-52.3171.1-67.30000110.9L82 S84 Y226 R277 A278 L283 Y284 Q285L82-T281 HydrophobicContact CD2-CG2 3.49Å; L82-T281 VanDerWaalsContact CD2-CG2 3.49Å; S84-T281 PolarHBondContact OG-OG1 3.28Å; S84-T281 VanDerWaalsContact OG-OG1 3.08Å; Y226-T281 HydrophobicContact CD1-CG2 4.06Å; Y226-T281 HydrophobicContact CD2-CG2 3.89Å; Y226-T281 HydrophobicContact CE1-CG2 3.75Å; Y226-T281 HydrophobicContact CE2-CG2 3.59Å; Y226-T281 HydrophobicContact CG-CG2 4.13Å; R277-T281 PolarHBondContact O-N 3.08Å; R277-T281 PolarHBondContact O-OG1 3.15Å; A278-T281 PolarHBondContact O-N 3.36Å; T281-L283 PolarHBondContact O-N 3.12Å; T281-L283 VanDerWaalsContact O-N 3.07Å; T281-Y284 PolarHBondContact O-N 3.13Å; T281-Q285 HydrophobicContact CG2-CB 4.46Å; T281-Q285 WeakPolarHBondContact O-CB 3.44Å; T281-Q285 PolarHBondContact O-N 3.4Å
282F96.3Very high95.5Very high1 Ų127.3 Ų27.30%0.00414%0.143CC..Hα-helixtrans-59.9-20.5176.8-84.6-67.4000114.3A176 F177 R216 I220 C224 Y226 A278 N279A176-F282 HydrophobicContact CB-CD1 4.11Å; A176-F282 HydrophobicContact CB-CE1 3.74Å; A176-F282 HydrophobicContact CB-CZ 4.11Å; F177-F282 AromaticContact CD1-CD1 3.75Å; F177-F282 HydrophobicContact CD1-CD1 3.75Å; F177-F282 WeakPolarHBondContact CD1-O 3.49Å; F177-F282 AromaticContact CD2-CD1 3.73Å; F177-F282 HydrophobicContact CD2-CD1 3.73Å; F177-F282 AromaticContact CD2-CE1 3.75Å; F177-F282 HydrophobicContact CD2-CE1 3.75Å; F177-F282 AromaticContact CE1-CD1 3.78Å; F177-F282 HydrophobicContact CE1-CD1 3.78Å; F177-F282 HydrophobicContact CE1-CE1 4.47Å; F177-F282 AromaticContact CE2-CD1 3.73Å; F177-F282 HydrophobicContact CE2-CD1 3.73Å; F177-F282 AromaticContact CE2-CE1 3.61Å; F177-F282 HydrophobicContact CE2-CE1 3.61Å; F177-F282 AromaticContact CG-CD1 3.76Å; F177-F282 HydrophobicContact CG-CD1 3.76Å; F177-F282 HydrophobicContact CG-CE1 4.26Å; F177-F282 AromaticContact CZ-CD1 3.78Å; F177-F282 HydrophobicContact CZ-CD1 3.78Å; F177-F282 HydrophobicContact CZ-CE1 4.02Å; R216-F282 VanDerWaalsContact CD-CB 3.47Å; R216-F282 HydrophobicContact CG-CB 4.13Å; R216-F282 HydrophobicContact CG-CD2 4.46Å; R216-F282 HydrophobicContact CG-CG 4.35Å; I220-F282 HydrophobicContact CD1-CD2 3.95Å; I220-F282 HydrophobicContact CD1-CE2 4.45Å; I220-F282 HydrophobicContact CG1-CD2 3.8Å; I220-F282 HydrophobicContact CG1-CE2 3.78Å; C224-F282 HydrophobicContact CB-CE2 4.15Å; C224-F282 HydrophobicContact CB-CZ 4.27Å; Y226-F282 AromaticContact CD2-CD2 3.93Å; Y226-F282 HydrophobicContact CD2-CD2 3.93Å; Y226-F282 AromaticContact CD2-CE2 3.64Å; Y226-F282 HydrophobicContact CD2-CE2 3.64Å; Y226-F282 HydrophobicContact CD2-CZ 4.04Å; Y226-F282 HydrophobicContact CE2-CD1 4.28Å; Y226-F282 HydrophobicContact CE2-CD2 4.07Å; Y226-F282 HydrophobicContact CE2-CE1 4.05Å; Y226-F282 AromaticContact CE2-CE2 3.84Å; Y226-F282 HydrophobicContact CE2-CE2 3.84Å; Y226-F282 HydrophobicContact CE2-CG 4.28Å; Y226-F282 AromaticContact CE2-CZ 3.82Å; Y226-F282 HydrophobicContact CE2-CZ 3.82Å; A278-F282 WeakPolarHBondContact O-CD2 3.49Å; A278-F282 PolarHBondContact O-N 3.44Å; N279-F282 PolarHBondContact O-N 3.24Å
283L96.1Very high95.4Very high21 Ų2129.2 Ų29.211%0.1115%0.15CC..Hα-helixtrans-97.6-39.7178.7-79.7170.2000114.1N279 N280 T281 N299N279-L283 WeakPolarHBondContact O-CB 3.41Å; N279-L283 WeakPolarHBondContact O-CG 3.21Å; N279-L283 PolarHBondContact O-N 2.97Å; N280-L283 PolarHBondContact O-N 3.21Å; T281-L283 PolarHBondContact O-N 3.12Å; T281-L283 VanDerWaalsContact O-N 3.07Å; L283-N299 WeakPolarHBondContact O-CB 3.48Å; L283-N299 PolarHBondContact O-N 3.33Å; L283-N299 VanDerWaalsContact O-N 3.09Å; L283-N299 PolarHBondContact O-ND2 3.5Å
284Y96.6Very high95.4Very high19 Ų1928 Ų288%0.07514%0.143CC..Hα-helixtrans-13012.2-163.3-45-62.9000114.2N280 T281 L286 Y301 P302 I305 L310N280-Y284 HydrophobicContact CB-CD2 4.03Å; N280-Y284 HydrophobicContact CB-CE2 4.42Å; N280-Y284 WeakPolarHBondContact O-CA 3.42Å; N280-Y284 WeakPolarHBondContact O-CB 3.33Å; N280-Y284 WeakPolarHBondContact O-CD2 3.48Å; N280-Y284 PolarHBondContact O-N 2.88Å; T281-Y284 PolarHBondContact O-N 3.13Å; Y284-L286 PolarHBondContact O-N 2.81Å; Y284-Y301 AromaticContact CD1-CD1 3.88Å; Y284-Y301 HydrophobicContact CD1-CD1 3.88Å; Y284-Y301 HydrophobicContact CD1-CE1 4.27Å; Y284-Y301 HydrophobicContact CE1-CD1 4.49Å; Y284-Y301 HydrophobicContact CG-CD1 4.01Å; Y284-Y301 HydrophobicContact CG-CE1 4.07Å; Y284-P302 VanDerWaalsContact OH-CD 3.24Å; Y284-P302 WeakPolarHBondContact OH-CD 3.35Å; Y284-P302 VanDerWaalsContact OH-CG 3.25Å; Y284-P302 WeakPolarHBondContact OH-CG 3.2Å; Y284-I305 HydrophobicContact CE2-CD1 3.79Å; Y284-L310 HydrophobicContact CD2-CD1 4.14Å; Y284-L310 HydrophobicContact CG-CD1 4.33Å
285Q97.2Very high95.4Very high0 Ų028.5 Ų28.50%015%0.146CC..  trans-51.2136.4169.1179.9167.523.300110.8L82 E150 A153 T281 L298 A313L82-Q285 HydrophobicContact CD1-CG 4.42Å; E150-Q285 PolarHBondContact OE2-NE2 3.45Å; A153-Q285 HydrophobicContact CB-CB 4.16Å; A153-Q285 HydrophobicContact CB-CG 3.96Å; T281-Q285 HydrophobicContact CG2-CB 4.46Å; T281-Q285 WeakPolarHBondContact O-CB 3.44Å; T281-Q285 PolarHBondContact O-N 3.4Å; Q285-L298 PolarHBondContact O-N 2.88Å; Q285-A313 WeakPolarHBondContact CA-O 3.33Å
286L96.8Very high95.4Very high9 Ų930.1 Ų30.15%0.04716%0.156CC..EExtended strand (participates in β ladder)trans-69.2137-179-62.4-177.3000111P148 Y149 Y284 V295 V296 A313 N316P148-L286 WeakPolarHBondContact CG-O 3.34Å; Y149-L286 HydrophobicContact CD2-CB 4.19Å; Y149-L286 HydrophobicContact CE2-CB 4.49Å; Y149-L286 HydrophobicContact CE2-CD1 4.42Å; Y284-L286 PolarHBondContact O-N 2.81Å; L286-V295 HydrophobicContact CB-CG1 4.08Å; L286-V295 HydrophobicContact CD1-CG1 4.1Å; L286-V295 HydrophobicContact CD2-CG1 4.48Å; L286-V295 HydrophobicContact CG-CG1 4.46Å; L286-V296 WeakPolarHBondContact CA-O 3.48Å; L286-A313 PolarHBondContact N-O 3.3Å; L286-N316 HydrophobicContact CD1-CB 4.06Å
287V97.5Very high95.4Very high1 Ų129 Ų291%0.00615%0.149CC..EExtended strand (participates in β ladder)trans-133.5168.9177.6-61.70000109.1A153 Y157 V295 V296 L298A153-V287 HydrophobicContact CB-CG1 3.65Å; Y157-V287 HydrophobicContact CD1-CG2 4.46Å; Y157-V287 HydrophobicContact CD2-CG2 3.62Å; Y157-V287 HydrophobicContact CE2-CG2 4.23Å; Y157-V287 HydrophobicContact CG-CB 4.46Å; Y157-V287 HydrophobicContact CG-CG2 3.74Å; V287-V295 WeakPolarHBondContact O-CA 3.35Å; V287-V296 HydrophobicContact CG2-CG2 3.84Å; V287-V296 WeakPolarHBondContact CG2-O 3.23Å; V287-V296 PolarHBondContact N-O 3.24Å; V287-V296 PolarHBondContact O-N 3.39Å; V287-V296 VanDerWaalsContact O-O 3.04Å; V287-L298 HydrophobicContact CG1-CB 4.28Å
288F97.4Very high95.5Very high1 Ų123.7 Ų23.70%0.00413%0.13CC..EExtended strand (participates in β ladder)trans-106.7129.3174.6-169.8-95.6000110.7I145 Q154 P290 R293 K294 V295 G322 L323 A326 W370I145-F288 HydrophobicContact CD1-CD1 4.1Å; Q154-F288 PolarHBondContact NE2-O 3.5Å; Q154-F288 PolarHBondContact OE1-O 2.9Å; F288-P290 WeakPolarHBondContact O-CD 3.43Å; F288-R293 VanDerWaalsContact CZ-C 3.44Å; F288-R293 VanDerWaalsContact CZ-CA 3.46Å; F288-R293 HydrophobicContact CZ-CB 3.98Å; F288-K294 WeakPolarHBondContact CA-O 3.38Å; F288-K294 WeakPolarHBondContact CD2-O 3.35Å; F288-V295 HydrophobicContact CD2-CG2 4.24Å; F288-G322 VanDerWaalsContact CE2-C 3.48Å; F288-L323 HydrophobicContact CE1-CD1 4.32Å; F288-L323 HydrophobicContact CE2-CB 4.11Å; F288-L323 HydrophobicContact CZ-CB 3.93Å; F288-L323 HydrophobicContact CZ-CD1 3.77Å; F288-L323 HydrophobicContact CZ-CG 4.46Å; F288-A326 HydrophobicContact CB-CB 4.27Å; F288-A326 HydrophobicContact CD1-CB 3.64Å; F288-A326 HydrophobicContact CD2-CB 4.01Å; F288-A326 HydrophobicContact CE1-CB 3.9Å; F288-A326 HydrophobicContact CE2-CB 4.26Å; F288-A326 HydrophobicContact CG-CB 3.69Å; F288-A326 HydrophobicContact CZ-CB 4.19Å; F288-W370 HydrophobicContact CE1-CH2 4.43Å; F288-W370 AromaticContact CE1-CZ3 3.88Å; F288-W370 HydrophobicContact CE1-CZ3 3.88Å
289D96Very high95.5Very high14 Ų1425.1 Ų25.18%0.07514%0.137CC..EExtended strand (participates in β ladder)trans-86.8111.6169.3179.4-8.4000109.3Y157 G291 M292 R293 K294 V296Y157-D289 HydrophobicContact CE1-CB 4.15Å; Y157-D289 WeakPolarHBondContact OH-CB 3.46Å; Y157-D289 PolarHBondContact OH-OD2 2.66Å; D289-G291 VanDerWaalsContact C-N 3.29Å; D289-G291 PolarHBondContact O-N 3.35Å; D289-G291 WeakPolarHBondContact OD1-CA 3.23Å; D289-G291 PolarHBondContact OD1-N 3.15Å; D289-M292 HydrophobicContact CB-CB 4.36Å; D289-M292 PolarHBondContact OD1-N 3.23Å; D289-M292 VanDerWaalsContact OD2-CB 3.26Å; D289-M292 WeakPolarHBondContact OD2-CB 3.39Å; D289-M292 WeakPolarHBondContact OD2-CG 3.43Å; D289-M292 PolarHBondContact OD2-N 3.11Å; D289-R293 WeakPolarHBondContact O-CA 3.47Å; D289-R293 PolarHBondContact O-N 3.25Å; D289-K294 PolarHBondContact N-O 3.3Å; D289-K294 PolarHBondContact O-N 2.91Å; D289-V296 HydrophobicContact CB-CG2 4.19Å
290P93.9Very high95.3Very high1 Ų129.7 Ų29.71%0.00617%0.169CC..THydrogen-bonded Turntrans-71.4-20.2178.630-34.8000114I145 L158 F163 F288 R293 W370I145-P290 HydrophobicContact CD1-CB 4.48Å; L158-P290 HydrophobicContact CD2-CG 4.07Å; F163-P290 HydrophobicContact CD1-CG 3.91Å; F163-P290 HydrophobicContact CE1-CB 4.49Å; F163-P290 HydrophobicContact CE1-CG 3.6Å; F163-P290 HydrophobicContact CE2-CG 4.43Å; F163-P290 HydrophobicContact CG-CG 4.48Å; F163-P290 HydrophobicContact CZ-CG 3.88Å; F288-P290 WeakPolarHBondContact O-CD 3.43Å; P290-R293 WeakPolarHBondContact O-CG 3.19Å; P290-W370 HydrophobicContact CB-CE3 4.48Å; P290-W370 HydrophobicContact CB-CZ3 4.41Å
291G89.9Confident95.2Very high47 Ų4732.5 Ų32.549%0.48518%0.178SC..THydrogen-bonded Turntrans-79.1-53.5177.700000112.3D289 R293D289-G291 VanDerWaalsContact C-N 3.29Å; D289-G291 PolarHBondContact O-N 3.35Å; D289-G291 WeakPolarHBondContact OD1-CA 3.23Å; D289-G291 PolarHBondContact OD1-N 3.15Å; G291-R293 VanDerWaalsContact C-N 3.33Å
292M90.9Very high94.9Very high129 Ų12934.5 Ų34.564%0.63519%0.191SC*.THydrogen-bonded Turntrans-77.2-19.3173.9-66-174.275.100113.4D289 K294D289-M292 HydrophobicContact CB-CB 4.36Å; D289-M292 PolarHBondContact OD1-N 3.23Å; D289-M292 VanDerWaalsContact OD2-CB 3.26Å; D289-M292 WeakPolarHBondContact OD2-CB 3.39Å; D289-M292 WeakPolarHBondContact OD2-CG 3.43Å; D289-M292 PolarHBondContact OD2-N 3.11Å; M292-K294 HydrophobicContact CB-CB 4.45Å; M292-K294 HydrophobicContact CB-CD 4.38Å; M292-K294 HydrophobicContact CB-CG 4.25Å; M292-K294 HydrophobicContact CE-CD 4.3Å
293R93.6Very high94.4Very high43 Ų4344.6 Ų44.616%0.16224%0.238CC..THydrogen-bonded Turntrans58.651.3-172.7-58.7-175.4-175.1176.42.7113.2F288 D289 P290 G291 L323 D344 W370F288-R293 VanDerWaalsContact CZ-C 3.44Å; F288-R293 VanDerWaalsContact CZ-CA 3.46Å; F288-R293 HydrophobicContact CZ-CB 3.98Å; D289-R293 WeakPolarHBondContact O-CA 3.47Å; D289-R293 PolarHBondContact O-N 3.25Å; P290-R293 WeakPolarHBondContact O-CG 3.19Å; G291-R293 VanDerWaalsContact C-N 3.33Å; R293-L323 HydrophobicContact CB-CD1 4.37Å; R293-L323 HydrophobicContact CG-CD1 4.41Å; R293-D344 IonicContact CZ-OD1 3.22Å; R293-D344 IonicContact CZ-OD2 3.19Å; R293-D344 IonicContact NH1-OD1 2.69Å; R293-D344 IonicContact NH1-OD2 2.72Å; R293-D344 PolarHBondContact NH1-OD2 2.97Å; R293-D344 IonicContact NH2-OD1 3.18Å; R293-D344 PolarHBondContact NH2-OD1 3.44Å; R293-D344 IonicContact NH2-OD2 3.64Å; R293-D344 PolarHBondContact NH2-OD2 2.84Å; R293-W370 PolarHBondContact NH2-O 3.05Å
294K94.9Very high93.9Very high82 Ų8251.2 Ų51.236%0.35727%0.268SS..EExtended strand (participates in β ladder)trans-136.3156.9-174.1-67.1-172168.3-80.70112.8F288 D289 M292 V296 D319F288-K294 WeakPolarHBondContact CA-O 3.38Å; F288-K294 WeakPolarHBondContact CD2-O 3.35Å; D289-K294 PolarHBondContact N-O 3.3Å; D289-K294 PolarHBondContact O-N 2.91Å; M292-K294 HydrophobicContact CB-CB 4.45Å; M292-K294 HydrophobicContact CB-CD 4.38Å; M292-K294 HydrophobicContact CB-CG 4.25Å; M292-K294 HydrophobicContact CE-CD 4.3Å; K294-V296 HydrophobicContact CB-CG1 4.28Å; K294-D319 VanDerWaalsContact CA-OD1 3.24Å; K294-D319 WeakPolarHBondContact CA-OD1 3.43Å; K294-D319 WeakPolarHBondContact CB-OD1 3.46Å; K294-D319 HydrophobicContact CG-CB 4.42Å; K294-D319 WeakPolarHBondContact CG-OD2 3.17Å; K294-D319 IonicContact NZ-OD2 2.8Å; K294-D319 PolarHBondContact NZ-OD2 3.31Å
295V95.4Very high93.5Very high15 Ų1551.7 Ų51.79%0.09127%0.272CS..EExtended strand (participates in β ladder)trans-88120170.6-176.90000109.2L286 V287 F288 D319L286-V295 HydrophobicContact CB-CG1 4.08Å; L286-V295 HydrophobicContact CD1-CG1 4.1Å; L286-V295 HydrophobicContact CD2-CG1 4.48Å; L286-V295 HydrophobicContact CG-CG1 4.46Å; V287-V295 WeakPolarHBondContact O-CA 3.35Å; F288-V295 HydrophobicContact CD2-CG2 4.24Å; V295-D319 PolarHBondContact N-OD1 3.08Å
296V95.4Very high92.9Very high35 Ų3556.3 Ų56.321%0.21230%0.297CS..EExtended strand (participates in β ladder)trans-133.7156.8-174.2-60.50000110.5Y157 L286 V287 D289 K294Y157-V296 HydrophobicContact CE2-CG2 3.99Å; L286-V296 WeakPolarHBondContact CA-O 3.48Å; V287-V296 HydrophobicContact CG2-CG2 3.84Å; V287-V296 WeakPolarHBondContact CG2-O 3.23Å; V287-V296 PolarHBondContact N-O 3.24Å; V287-V296 PolarHBondContact O-N 3.39Å; V287-V296 VanDerWaalsContact O-O 3.04Å; D289-V296 HydrophobicContact CB-CG2 4.19Å; K294-V296 HydrophobicContact CB-CG1 4.28Å
297P96.3Very high92.5Very high28 Ų2859 Ų5918%0.18232%0.315CS..EExtended strand (participates in β ladder)trans-70.5151.9167.732.4-37.7000111.1N299 Y301P297-N299 VanDerWaalsContact C-N 3.28Å; P297-N299 WeakPolarHBondContact CB-O 3.47Å; P297-N299 WeakPolarHBondContact CG-O 3.25Å; P297-N299 PolarHBondContact O-N 3.08Å; P297-Y301 HydrophobicContact CB-CE1 3.95Å; P297-Y301 HydrophobicContact CB-CE2 4.16Å; P297-Y301 HydrophobicContact CG-CD2 4.11Å; P297-Y301 HydrophobicContact CG-CE1 4.25Å; P297-Y301 HydrophobicContact CG-CE2 3.66Å
298L96.3Very high91.9Very high8 Ų862.5 Ų62.54%0.04234%0.344CS..SBendtrans-55.1-39.2177.5172.861000113.8A153 A156 Y157 F177 Q285 V287A153-L298 HydrophobicContact CB-CD2 4.31Å; A153-L298 WeakPolarHBondContact O-CD1 3.49Å; A156-L298 HydrophobicContact CB-CD1 3.97Å; A156-L298 HydrophobicContact CB-CD2 4.26Å; Y157-L298 HydrophobicContact CD2-CD1 4.42Å; F177-L298 HydrophobicContact CB-CD2 4.31Å; F177-L298 HydrophobicContact CD1-CD2 3.49Å; F177-L298 VanDerWaalsContact CD1-CD2 3.49Å; F177-L298 HydrophobicContact CE1-CD2 4.23Å; F177-L298 HydrophobicContact CG-CD2 4.36Å; Q285-L298 PolarHBondContact O-N 2.88Å; V287-L298 HydrophobicContact CG1-CB 4.28Å
299N95.8Very high91.4Very high31 Ų3165.4 Ų65.417%0.16636%0.364CS..SBendtrans-127.6151.1170.5-51.5-90.7000108.8K160 L283 P297K160-N299 PolarHBondContact NZ-OD1 2.8Å; L283-N299 WeakPolarHBondContact O-CB 3.48Å; L283-N299 PolarHBondContact O-N 3.33Å; L283-N299 VanDerWaalsContact O-N 3.09Å; L283-N299 PolarHBondContact O-ND2 3.5Å; P297-N299 VanDerWaalsContact C-N 3.28Å; P297-N299 WeakPolarHBondContact CB-O 3.47Å; P297-N299 WeakPolarHBondContact CG-O 3.25Å; P297-N299 PolarHBondContact O-N 3.08Å
300P93.9Very high91.2Very high120 Ų12064.9 Ų64.978%0.77936%0.361SS*.PPolyproline II helixtrans-59.2143.6177.3-24.434.7000113.2
301Y92.9Very high91.2Very high78 Ų7869.7 Ų69.731%0.30639%0.387SS..PPolyproline II helixtrans-69136.5177.8-58.2-65.2000112.1Y284 P297 P307 L310Y284-Y301 AromaticContact CD1-CD1 3.88Å; Y284-Y301 HydrophobicContact CD1-CD1 3.88Å; Y284-Y301 HydrophobicContact CD1-CE1 4.27Å; Y284-Y301 HydrophobicContact CE1-CD1 4.49Å; Y284-Y301 HydrophobicContact CG-CD1 4.01Å; Y284-Y301 HydrophobicContact CG-CE1 4.07Å; P297-Y301 HydrophobicContact CB-CE1 3.95Å; P297-Y301 HydrophobicContact CB-CE2 4.16Å; P297-Y301 HydrophobicContact CG-CD2 4.11Å; P297-Y301 HydrophobicContact CG-CE1 4.25Å; P297-Y301 HydrophobicContact CG-CE2 3.66Å; Y301-P307 HydrophobicContact CD2-CB 4.38Å; Y301-P307 HydrophobicContact CD2-CG 3.74Å; Y301-P307 HydrophobicContact CE2-CB 3.87Å; Y301-P307 HydrophobicContact CE2-CG 3.72Å; Y301-P307 HydrophobicContact CG-CG 4.25Å; Y301-L310 HydrophobicContact CD1-CD1 3.83Å; Y301-L310 HydrophobicContact CE1-CD1 3.39Å
302P90.3Very high91.3Very high41 Ų4169 Ų6927%0.26637%0.37SS..PPolyproline II helixtrans-64.2149.6164.1-18.931.5000111.7Y284 H304 I305Y284-P302 VanDerWaalsContact OH-CD 3.24Å; Y284-P302 WeakPolarHBondContact OH-CD 3.35Å; Y284-P302 VanDerWaalsContact OH-CG 3.25Å; Y284-P302 WeakPolarHBondContact OH-CG 3.2Å; P302-H304 VanDerWaalsContact CB-CE1 3.46Å; P302-H304 WeakPolarHBondContact CB-CE1 3.27Å; P302-H304 PolarHBondContact O-N 3.38Å; P302-I305 HydrophobicContact CB-CG1 4.34Å; P302-I305 HydrophobicContact CG-CD1 3.94Å; P302-I305 HydrophobicContact CG-CG1 4.29Å; P302-I305 PolarHBondContact O-N 3.34Å
303Q86.5Confident91.4Very high213 Ų21363 Ų63100%0.99534%0.34SS*.THydrogen-bonded Turntrans-56.9-17.3-178.6-66175.4-12.200115.2
304H83.9Confident91.3Very high161 Ų16161.4 Ų61.475%0.74534%0.337SS*.THydrogen-bonded Turntrans-99.22.1-178.565.3-100.2000114.1P302P302-H304 VanDerWaalsContact CB-CE1 3.46Å; P302-H304 WeakPolarHBondContact CB-CE1 3.27Å; P302-H304 PolarHBondContact O-N 3.38Å
305I87.9Confident91.2Very high28 Ų2861 Ų6114%0.14434%0.342CS..  trans-111.4114.6179.8-53.9-171.1000109.5Y284 P302 P307 L310Y284-I305 HydrophobicContact CE2-CD1 3.79Å; P302-I305 HydrophobicContact CB-CG1 4.34Å; P302-I305 HydrophobicContact CG-CD1 3.94Å; P302-I305 HydrophobicContact CG-CG1 4.29Å; P302-I305 PolarHBondContact O-N 3.34Å; I305-P307 WeakPolarHBondContact O-CD 3.4Å; I305-L310 HydrophobicContact CG2-CD1 3.81Å; I305-L310 HydrophobicContact CG2-CD2 4.12Å; I305-L310 HydrophobicContact CG2-CG 4.11Å
306D86.5Confident90.9Very high98 Ų9864.3 Ų64.352%0.52436%0.359SS..  trans-70.7120.3169.3168.922.2000110.2A308 S309D306-A308 PolarHBondContact O-N 3.43Å; D306-A308 WeakPolarHBondContact OD1-CB 3.43Å; D306-A308 PolarHBondContact OD1-N 3.11Å; D306-S309 WeakPolarHBondContact O-CB 3.48Å; D306-S309 PolarHBondContact O-N 2.88Å; D306-S309 VanDerWaalsContact O-N 3.15Å; D306-S309 PolarHBondContact O-OG 3.36Å
307P86.7Confident90.5Very high66 Ų6665.6 Ų65.643%0.42937%0.365SS..G310 helixtrans-58-28.5176.3-25.136.1000114.3Y301 I305 S309 L310Y301-P307 HydrophobicContact CD2-CB 4.38Å; Y301-P307 HydrophobicContact CD2-CG 3.74Å; Y301-P307 HydrophobicContact CE2-CB 3.87Å; Y301-P307 HydrophobicContact CE2-CG 3.72Å; Y301-P307 HydrophobicContact CG-CG 4.25Å; I305-P307 WeakPolarHBondContact O-CD 3.4Å; P307-S309 PolarHBondContact O-N 3.43Å; P307-L310 WeakPolarHBondContact O-CB 3.49Å; P307-L310 PolarHBondContact O-N 3.25Å; P307-L310 VanDerWaalsContact O-N 3.11Å
308A84.8Confident90.2Very high74 Ų7465.9 Ų65.961%0.61237%0.373SS*.G310 helixtrans-66.8-27.5179.300000112.4D306 L310D306-A308 PolarHBondContact O-N 3.43Å; D306-A308 WeakPolarHBondContact OD1-CB 3.43Å; D306-A308 PolarHBondContact OD1-N 3.11Å; A308-L310 PolarHBondContact O-N 2.92Å
309S88.4Confident90.1Very high61 Ų6167.7 Ų67.743%0.42738%0.383SS..G310 helixtrans-67.4-14.1173.877.20000114.1D306 P307 Y312D306-S309 WeakPolarHBondContact O-CB 3.48Å; D306-S309 PolarHBondContact O-N 2.88Å; D306-S309 VanDerWaalsContact O-N 3.15Å; D306-S309 PolarHBondContact O-OG 3.36Å; P307-S309 PolarHBondContact O-N 3.43Å; S309-Y312 WeakPolarHBondContact O-CE1 3.5Å
310L91.8Very high89.9Confident4 Ų472.8 Ų72.82%0.02141%0.41CS..G310 helixtrans-100.624.1-171-56.6-179.5000113.8N280 Y284 Y301 I305 P307 A308 Y312 A313N280-L310 HydrophobicContact CB-CD2 4.19Å; Y284-L310 HydrophobicContact CD2-CD1 4.14Å; Y284-L310 HydrophobicContact CG-CD1 4.33Å; Y301-L310 HydrophobicContact CD1-CD1 3.83Å; Y301-L310 HydrophobicContact CE1-CD1 3.39Å; I305-L310 HydrophobicContact CG2-CD1 3.81Å; I305-L310 HydrophobicContact CG2-CD2 4.12Å; I305-L310 HydrophobicContact CG2-CG 4.11Å; P307-L310 WeakPolarHBondContact O-CB 3.49Å; P307-L310 PolarHBondContact O-N 3.25Å; P307-L310 VanDerWaalsContact O-N 3.11Å; A308-L310 PolarHBondContact O-N 2.92Å; L310-Y312 HydrophobicContact CD2-CE1 4.34Å; L310-Y312 HydrophobicContact CD2-CE2 4.46Å; L310-Y312 WeakPolarHBondContact CD2-OH 3.49Å; L310-Y312 PolarHBondContact O-N 3.35Å; L310-A313 HydrophobicContact CB-CB 4.44Å; L310-A313 WeakPolarHBondContact O-CB 3.33Å; L310-A313 PolarHBondContact O-N 3.07Å
311N92.1Very high89.9Confident102 Ų10273.4 Ų73.455%0.54540%0.4SS..G310 helixtrans-50.1-29.2179.9638.7000114.4A313 G314N311-A313 VanDerWaalsContact C-N 3.34Å; N311-G314 CarbonylContact O-C 3.47Å; N311-G314 PolarHBondContact O-N 3.05Å
312Y92.8Very high89.9Confident32 Ų3269.9 Ų69.913%0.12539%0.387CS..G310 helixtrans-73.6-19.3177.357.4-97.5000114.7L82 S84 R277 N280 S309 L310L82-Y312 WeakPolarHBondContact CD1-O 3.26Å; L82-Y312 WeakPolarHBondContact CG-O 3.16Å; S84-Y312 PolarHBondContact N-O 3.24Å; S84-Y312 WeakPolarHBondContact OG-CD2 3.29Å; S84-Y312 PolarHBondContact OG-O 2.96Å; R277-Y312 HydrophobicContact CB-CD2 4.22Å; R277-Y312 HydrophobicContact CB-CE2 3.87Å; R277-Y312 HydrophobicContact CG-CD1 4.4Å; R277-Y312 HydrophobicContact CG-CD2 4.35Å; R277-Y312 HydrophobicContact CG-CE1 3.99Å; R277-Y312 HydrophobicContact CG-CE2 3.95Å; N280-Y312 HydrophobicContact CB-CE2 4.03Å; N280-Y312 PolarHBondContact ND2-OH 2.8Å; S309-Y312 WeakPolarHBondContact O-CE1 3.5Å; L310-Y312 HydrophobicContact CD2-CE1 4.34Å; L310-Y312 HydrophobicContact CD2-CE2 4.46Å; L310-Y312 WeakPolarHBondContact CD2-OH 3.49Å; L310-Y312 PolarHBondContact O-N 3.35Å
313A92.8Very high90.1Very high2 Ų269.8 Ų69.82%0.01738%0.384CS..G310 helixtrans-90.1-3.8172.500000112.4L82 Q285 L286 L310 N311L82-A313 WeakPolarHBondContact CD1-O 3.47Å; Q285-A313 WeakPolarHBondContact CA-O 3.33Å; L286-A313 PolarHBondContact N-O 3.3Å; L310-A313 HydrophobicContact CB-CB 4.44Å; L310-A313 WeakPolarHBondContact O-CB 3.33Å; L310-A313 PolarHBondContact O-N 3.07Å; N311-A313 VanDerWaalsContact C-N 3.34Å
314G92.6Very high90.5Very high10 Ų1061.5 Ų61.510%0.10335%0.347CS..  trans135.2148.417400000112.2N311N311-G314 CarbonylContact O-C 3.47Å; N311-G314 PolarHBondContact O-N 3.05Å
315T91.6Very high91.1Very high75 Ų7554.2 Ų54.246%0.4631%0.314SS..  trans-100.7123.7172.5-39.70000108.4Y149 L317Y149-T315 PolarHBondContact OH-N 3Å; Y149-T315 PolarHBondContact OH-O 2.98Å; T315-L317 PolarHBondContact O-N 2.67Å
316N89.6Confident91.5Very high84 Ų8453 Ų5345%0.44931%0.307SS..  trans-70.1126.1173.9-167.2-18.5000109.4L286 G318L286-N316 HydrophobicContact CD1-CB 4.06Å; N316-G318 PolarHBondContact OD1-N 3.47Å
317L86.1Confident91.9Very high61 Ų6148.7 Ų48.732%0.31928%0.284SS..  trans-97.12.7-179-64.6-179.6000113.4T315 K321 M325 M335T315-L317 PolarHBondContact O-N 2.67Å; L317-K321 HydrophobicContact CB-CB 4.25Å; L317-M325 HydrophobicContact CD1-SD 3.82Å; L317-M335 HydrophobicContact CD1-CE 4.23Å; L317-M335 HydrophobicContact CD1-SD 4.21Å
318G91Very high92.3Very high34 Ų3445.8 Ų45.835%0.35127%0.266SS..  trans91.4148.8-170.700000112.2N316 D320 K321 G322N316-G318 PolarHBondContact OD1-N 3.47Å; G318-D320 PolarHBondContact O-N 3.03Å; G318-K321 PolarHBondContact O-N 3.16Å; G318-G322 PolarHBondContact O-N 3.48Å
319D93.3Very high92.9Very high47 Ų4742.3 Ų42.325%0.25124%0.237SC..Hα-helixtrans-62.2-40-171.2-70.5-34.1000113.2K294 V295 K321 G322 L323K294-D319 VanDerWaalsContact CA-OD1 3.24Å; K294-D319 WeakPolarHBondContact CA-OD1 3.43Å; K294-D319 WeakPolarHBondContact CB-OD1 3.46Å; K294-D319 HydrophobicContact CG-CB 4.42Å; K294-D319 WeakPolarHBondContact CG-OD2 3.17Å; K294-D319 IonicContact NZ-OD2 2.8Å; K294-D319 PolarHBondContact NZ-OD2 3.31Å; V295-D319 PolarHBondContact N-OD1 3.08Å; D319-K321 PolarHBondContact O-N 3.04Å; D319-G322 CarbonylContact O-C 3.54Å; D319-G322 WeakPolarHBondContact O-CA 3.39Å; D319-G322 PolarHBondContact O-N 3.5Å; D319-L323 WeakPolarHBondContact O-CB 3.37Å; D319-L323 PolarHBondContact O-N 2.9Å
320D92.9Very high93.1Very high137 Ų13740.4 Ų40.473%0.73322%0.223SC*.Hα-helixtrans-63-44.1-179.3-56.5-52.5000112G318 L323 D324G318-D320 PolarHBondContact O-N 3.03Å; D320-L323 PolarHBondContact O-N 3.47Å; D320-D324 PolarHBondContact O-N 3.04Å
321K92.7Very high93.2Very high133 Ų13341.5 Ų41.558%0.57823%0.229SC*.Hα-helixtrans-68.1-38174.3-70.3-171.7178-177.80111.3L317 G318 D319 L323 D324 M325L317-K321 HydrophobicContact CB-CB 4.25Å; G318-K321 PolarHBondContact O-N 3.16Å; D319-K321 PolarHBondContact O-N 3.04Å; K321-L323 VanDerWaalsContact C-N 3.31Å; K321-L323 PolarHBondContact O-N 3.02Å; K321-D324 PolarHBondContact O-N 3.19Å; K321-M325 VanDerWaalsContact O-CB 3.3Å; K321-M325 WeakPolarHBondContact O-CB 3.36Å; K321-M325 VanDerWaalsContact O-CG 3.26Å; K321-M325 WeakPolarHBondContact O-CG 3.43Å; K321-M325 PolarHBondContact O-N 3.44Å
322G94Very high93.2Very high4 Ų438 Ų384%0.04121%0.21CC..Hα-helixtrans-57.9-41.8172.100000112.6F288 G318 D319 A326F288-G322 VanDerWaalsContact CE2-C 3.48Å; G318-G322 PolarHBondContact O-N 3.48Å; D319-G322 CarbonylContact O-C 3.54Å; D319-G322 WeakPolarHBondContact O-CA 3.39Å; D319-G322 PolarHBondContact O-N 3.5Å; G322-A326 WeakPolarHBondContact O-CB 3.42Å; G322-A326 PolarHBondContact O-N 2.9Å
323L95.1Very high93Very high39 Ų3941.9 Ų41.920%0.20423%0.233CC..Hα-helixtrans-68.4-49.4177.3175.361.9000111.8F288 R293 D319 D320 K321 M325 A326 L327 W370F288-L323 HydrophobicContact CE1-CD1 4.32Å; F288-L323 HydrophobicContact CE2-CB 4.11Å; F288-L323 HydrophobicContact CZ-CB 3.93Å; F288-L323 HydrophobicContact CZ-CD1 3.77Å; F288-L323 HydrophobicContact CZ-CG 4.46Å; R293-L323 HydrophobicContact CB-CD1 4.37Å; R293-L323 HydrophobicContact CG-CD1 4.41Å; D319-L323 WeakPolarHBondContact O-CB 3.37Å; D319-L323 PolarHBondContact O-N 2.9Å; D320-L323 PolarHBondContact O-N 3.47Å; K321-L323 VanDerWaalsContact C-N 3.31Å; K321-L323 PolarHBondContact O-N 3.02Å; L323-M325 VanDerWaalsContact C-N 3.29Å; L323-M325 PolarHBondContact O-N 3.26Å; L323-A326 PolarHBondContact O-N 3.26Å; L323-A326 VanDerWaalsContact O-N 3.15Å; L323-L327 HydrophobicContact CD1-CD1 3.84Å; L323-L327 HydrophobicContact CD1-CG 3.94Å; L323-L327 HydrophobicContact CG-CD1 4Å; L323-L327 HydrophobicContact CG-CG 4.45Å; L323-L327 WeakPolarHBondContact O-CB 3.23Å; L323-L327 VanDerWaalsContact O-CG 3.27Å; L323-L327 WeakPolarHBondContact O-CG 3.45Å; L323-L327 PolarHBondContact O-N 2.86Å; L323-W370 HydrophobicContact CD1-CZ3 4.2Å
324D94.8Very high93Very high39 Ų3945.4 Ų45.421%0.20926%0.255CS..Hα-helixtrans-65.3-33.1178.8-105.4-22.9000112.2D320 K321 G328 N329 V330 R337D320-D324 PolarHBondContact O-N 3.04Å; K321-D324 PolarHBondContact O-N 3.19Å; D324-G328 PolarHBondContact O-N 3.16Å; D324-N329 HydrophobicContact CB-CB 4.35Å; D324-N329 WeakPolarHBondContact O-CB 3.33Å; D324-N329 PolarHBondContact O-N 3.36Å; D324-N329 WeakPolarHBondContact OD1-CB 3.41Å; D324-N329 PolarHBondContact OD1-ND2 3.31Å; D324-V330 HydrophobicContact CB-CG2 3.93Å; D324-V330 PolarHBondContact O-N 3.26Å; D324-R337 IonicContact OD1-CZ 3.45Å; D324-R337 IonicContact OD1-NH1 3.87Å; D324-R337 IonicContact OD1-NH2 2.68Å; D324-R337 PolarHBondContact OD1-NH2 2.8Å; D324-R337 IonicContact OD2-CZ 3.31Å; D324-R337 IonicContact OD2-NH1 2.87Å; D324-R337 PolarHBondContact OD2-NH1 2.9Å; D324-R337 IonicContact OD2-NH2 2.67Å; D324-R337 PolarHBondContact OD2-NH2 3.2Å
325M95.2Very high92.8Very high9 Ų948.2 Ų48.24%0.04427%0.266CS..Hα-helixtrans-63.7-50.9167.2-77176.460.700111.7R80 V146 L317 K321 L323 L327 G328 V330 M335R80-M325 HydrophobicContact CG-CE 3.7Å; V146-M325 WeakPolarHBondContact CB-O 3.47Å; V146-M325 WeakPolarHBondContact CG2-O 3.4Å; L317-M325 HydrophobicContact CD1-SD 3.82Å; K321-M325 VanDerWaalsContact O-CB 3.3Å; K321-M325 WeakPolarHBondContact O-CB 3.36Å; K321-M325 VanDerWaalsContact O-CG 3.26Å; K321-M325 WeakPolarHBondContact O-CG 3.43Å; K321-M325 PolarHBondContact O-N 3.44Å; L323-M325 VanDerWaalsContact C-N 3.29Å; L323-M325 PolarHBondContact O-N 3.26Å; M325-L327 PolarHBondContact O-N 3.35Å; M325-G328 WeakPolarHBondContact O-CA 3.48Å; M325-G328 PolarHBondContact O-N 3.26Å; M325-V330 HydrophobicContact CG-CB 4.49Å; M325-V330 HydrophobicContact CG-CG1 4.38Å; M325-M335 HydrophobicContact CE-CE 4.45Å; M325-M335 HydrophobicContact SD-CE 4.15Å; M325-M335 HydrophobicContact SD-SD 4.26Å
326A96.6Very high92.9Very high1 Ų150.7 Ų50.71%0.00827%0.272CS..Hα-helixtrans-63.3-30.3-177.600000112.9I145 V146 F288 G322 L323 G328 W370I145-A326 WeakPolarHBondContact CA-O 3.43Å; I145-A326 HydrophobicContact CG1-CB 4.24Å; V146-A326 PolarHBondContact N-O 2.95Å; V146-A326 WeakPolarHBondContact O-CA 3.5Å; F288-A326 HydrophobicContact CB-CB 4.27Å; F288-A326 HydrophobicContact CD1-CB 3.64Å; F288-A326 HydrophobicContact CD2-CB 4.01Å; F288-A326 HydrophobicContact CE1-CB 3.9Å; F288-A326 HydrophobicContact CE2-CB 4.26Å; F288-A326 HydrophobicContact CG-CB 3.69Å; F288-A326 HydrophobicContact CZ-CB 4.19Å; G322-A326 WeakPolarHBondContact O-CB 3.42Å; G322-A326 PolarHBondContact O-N 2.9Å; L323-A326 PolarHBondContact O-N 3.26Å; L323-A326 VanDerWaalsContact O-N 3.15Å; A326-G328 VanDerWaalsContact C-N 3.28Å; A326-W370 HydrophobicContact CB-CH2 4.13Å
327L95.7Very high93.1Very high8 Ų853.3 Ų53.34%0.04228%0.276CS..THydrogen-bonded Turntrans-77.2-7.4170.6-66.6175.7000113.4R138 L323 M325 N329 F341 P343 W370R138-L327 VanDerWaalsContact CZ-O 3.22Å; R138-L327 PolarHBondContact NH1-O 3.24Å; R138-L327 PolarHBondContact NH2-O 3.44Å; L323-L327 HydrophobicContact CD1-CD1 3.84Å; L323-L327 HydrophobicContact CD1-CG 3.94Å; L323-L327 HydrophobicContact CG-CD1 4Å; L323-L327 HydrophobicContact CG-CG 4.45Å; L323-L327 WeakPolarHBondContact O-CB 3.23Å; L323-L327 VanDerWaalsContact O-CG 3.27Å; L323-L327 WeakPolarHBondContact O-CG 3.45Å; L323-L327 PolarHBondContact O-N 2.86Å; M325-L327 PolarHBondContact O-N 3.35Å; L327-N329 PolarHBondContact O-N 3Å; L327-F341 HydrophobicContact CB-CD1 4.48Å; L327-F341 HydrophobicContact CD2-CD1 4.01Å; L327-F341 HydrophobicContact CD2-CE1 3.99Å; L327-P343 HydrophobicContact CD2-CG 4.02Å; L327-W370 HydrophobicContact CD2-CD2 4.07Å; L327-W370 HydrophobicContact CD2-CE3 3.94Å; L327-W370 HydrophobicContact CD2-CH2 3.78Å; L327-W370 HydrophobicContact CD2-CZ2 3.91Å; L327-W370 HydrophobicContact CD2-CZ3 3.78Å; L327-W370 HydrophobicContact CG-CH2 4.45Å; L327-W370 HydrophobicContact CG-CZ3 4.45Å
328G95.3Very high93.5Very high5 Ų553.9 Ų53.95%0.05228%0.279CS..THydrogen-bonded Turntrans66.226.1-176.600000113.3H131 D324 M325 A326H131-G328 PolarHBondContact CE1-O 3.48Å; H131-G328 VanDerWaalsContact CE1-O 3.23Å; H131-G328 PolarHBondContact ND1-O 2.99Å; D324-G328 PolarHBondContact O-N 3.16Å; M325-G328 WeakPolarHBondContact O-CA 3.48Å; M325-G328 PolarHBondContact O-N 3.26Å; A326-G328 VanDerWaalsContact C-N 3.28Å
329N95.7Very high93.6Very high1 Ų153.8 Ų53.81%0.00527%0.27CS..  trans-83.9-17.9176.8-72-21.4000112.6D324 L327 R337 I338 D339 F341D324-N329 HydrophobicContact CB-CB 4.35Å; D324-N329 WeakPolarHBondContact O-CB 3.33Å; D324-N329 PolarHBondContact O-N 3.36Å; D324-N329 WeakPolarHBondContact OD1-CB 3.41Å; D324-N329 PolarHBondContact OD1-ND2 3.31Å; L327-N329 PolarHBondContact O-N 3Å; N329-R337 PolarHBondContact ND2-NH2 2.92Å; N329-R337 VanDerWaalsContact ND2-NH2 3.13Å; N329-R337 CarbonylContact O-C 3.5Å; N329-R337 WeakPolarHBondContact O-CA 3.29Å; N329-R337 WeakPolarHBondContact O-CG 3.32Å; N329-I338 PolarHBondContact O-N 3.34Å; N329-D339 WeakPolarHBondContact CB-O 3.23Å; N329-D339 PolarHBondContact O-N 3.06Å; N329-D339 VanDerWaalsContact O-N 3.12Å; N329-F341 PolarHBondContact ND2-O 3.49Å; N329-F341 WeakPolarHBondContact OD1-CB 3.47Å; N329-F341 PolarHBondContact OD1-N 3.16Å; N329-F341 PolarHBondContact OD1-O 2.93Å
330V94.3Very high93.6Very high22 Ų2255.3 Ų55.313%0.13328%0.278CS..BIsolated β-bridgetrans-119.4138.4-177165.60000110.2D324 M325 M335 E336D324-V330 HydrophobicContact CB-CG2 3.93Å; D324-V330 PolarHBondContact O-N 3.26Å; M325-V330 HydrophobicContact CG-CB 4.49Å; M325-V330 HydrophobicContact CG-CG1 4.38Å; V330-M335 HydrophobicContact CG1-SD 4.27Å; V330-E336 CarbonylContact C-O 3.59Å; V330-E336 VanDerWaalsContact CA-O 3.29Å; V330-E336 WeakPolarHBondContact CA-O 3.38Å
331D93.1Very high93.5Very high27 Ų2751.8 Ų51.814%0.14426%0.256CS..  trans-73.3137.3174.3-177.869.4000111.9P127 N333 T334 M335 E336 I338P127-D331 WeakPolarHBondContact CB-OD1 3.43Å; D331-N333 VanDerWaalsContact C-N 3.27Å; D331-N333 PolarHBondContact O-N 3.35Å; D331-N333 WeakPolarHBondContact OD2-CA 3.35Å; D331-N333 WeakPolarHBondContact OD2-CB 3.37Å; D331-N333 PolarHBondContact OD2-N 3.24Å; D331-T334 PolarHBondContact OD2-N 3.39Å; D331-M335 VanDerWaalsContact O-CA 3.3Å; D331-M335 WeakPolarHBondContact O-CA 3.28Å; D331-M335 PolarHBondContact O-N 3.33Å; D331-E336 PolarHBondContact N-O 3.06Å; D331-I338 HydrophobicContact CB-CD1 4.23Å; D331-I338 HydrophobicContact CB-CG2 3.9Å
332I91.8Very high93.4Very high27 Ų2747.3 Ų47.314%0.13824%0.242CC..THydrogen-bonded Turntrans-68.3-27-174.9-66.2161.9000112.2D78 G79 R80 P127 V146 M335D78-I332 WeakPolarHBondContact O-CD1 3.48Å; G79-I332 WeakPolarHBondContact O-CG2 3.42Å; R80-I332 HydrophobicContact CG-CG2 4.2Å; P127-I332 HydrophobicContact CB-CD1 4.16Å; P127-I332 HydrophobicContact CG-CB 4.13Å; P127-I332 HydrophobicContact CG-CD1 4.13Å; V146-I332 HydrophobicContact CG1-CD1 4.24Å; I332-M335 WeakPolarHBondContact O-CE 3.5Å
333N89.8Confident93Very high115 Ų11548.6 Ų48.662%0.61525%0.249SC*.THydrogen-bonded Turntrans-96.5-43.3-176.3-70.1116.1000112.9D331D331-N333 VanDerWaalsContact C-N 3.27Å; D331-N333 PolarHBondContact O-N 3.35Å; D331-N333 WeakPolarHBondContact OD2-CA 3.35Å; D331-N333 WeakPolarHBondContact OD2-CB 3.37Å; D331-N333 PolarHBondContact OD2-N 3.24Å
334T91.1Very high92.5Very high76 Ų7651.2 Ų51.247%0.46626%0.264SS..THydrogen-bonded Turntrans-91.4-19.5-179.6740000114.2D331 E336D331-T334 PolarHBondContact OD2-N 3.39Å; T334-E336 WeakPolarHBondContact CB-OE2 3.29Å; T334-E336 PolarHBondContact O-N 2.83Å; T334-E336 WeakPolarHBondContact OG1-CB 3.36Å; T334-E336 WeakPolarHBondContact OG1-CG 3.27Å; T334-E336 PolarHBondContact OG1-N 3.05Å; T334-E336 PolarHBondContact OG1-OE2 3.25Å
335M89.3Confident91.4Very high69 Ų6953 Ų5334%0.3428%0.279SS..  trans61.516.8-169.7-64.8-77.2152.100114.4R80 L317 M325 V330 D331 I332R80-M335 HydrophobicContact CG-CE 3.92Å; L317-M335 HydrophobicContact CD1-CE 4.23Å; L317-M335 HydrophobicContact CD1-SD 4.21Å; M325-M335 HydrophobicContact CE-CE 4.45Å; M325-M335 HydrophobicContact SD-CE 4.15Å; M325-M335 HydrophobicContact SD-SD 4.26Å; V330-M335 HydrophobicContact CG1-SD 4.27Å; D331-M335 VanDerWaalsContact O-CA 3.3Å; D331-M335 WeakPolarHBondContact O-CA 3.28Å; D331-M335 PolarHBondContact O-N 3.33Å; I332-M335 WeakPolarHBondContact O-CE 3.5Å
336E92.9Very high89.9Confident127 Ų12757.2 Ų57.259%0.59331%0.307SS*.  trans-91.2158.9175.5-59.4167.813200111.7V330 D331 T334V330-E336 CarbonylContact C-O 3.59Å; V330-E336 VanDerWaalsContact CA-O 3.29Å; V330-E336 WeakPolarHBondContact CA-O 3.38Å; D331-E336 PolarHBondContact N-O 3.06Å; T334-E336 WeakPolarHBondContact CB-OE2 3.29Å; T334-E336 PolarHBondContact O-N 2.83Å; T334-E336 WeakPolarHBondContact OG1-CB 3.36Å; T334-E336 WeakPolarHBondContact OG1-CG 3.27Å; T334-E336 PolarHBondContact OG1-N 3.05Å; T334-E336 PolarHBondContact OG1-OE2 3.25Å
337R94Very high87.9Confident138 Ų13865.3 Ų65.352%0.52134%0.338SS..BIsolated β-bridgetrans-80.5120.9-178.9-162.7-177.5-163.795.218111.5D324 N329 D339D324-R337 IonicContact OD1-CZ 3.45Å; D324-R337 IonicContact OD1-NH1 3.87Å; D324-R337 IonicContact OD1-NH2 2.68Å; D324-R337 PolarHBondContact OD1-NH2 2.8Å; D324-R337 IonicContact OD2-CZ 3.31Å; D324-R337 IonicContact OD2-NH1 2.87Å; D324-R337 PolarHBondContact OD2-NH1 2.9Å; D324-R337 IonicContact OD2-NH2 2.67Å; D324-R337 PolarHBondContact OD2-NH2 3.2Å; N329-R337 PolarHBondContact ND2-NH2 2.92Å; N329-R337 VanDerWaalsContact ND2-NH2 3.13Å; N329-R337 CarbonylContact O-C 3.5Å; N329-R337 WeakPolarHBondContact O-CA 3.29Å; N329-R337 WeakPolarHBondContact O-CG 3.32Å; R337-D339 WeakPolarHBondContact CG-O 3.32Å; R337-D339 PolarHBondContact NE-O 3.4Å
338I94.9Very high85.5Confident74 Ų7470.7 Ų70.738%0.37937%0.373SS..  trans-111.8-11179.760.8169.2000114.1N329 D331N329-I338 PolarHBondContact O-N 3.34Å; D331-I338 HydrophobicContact CB-CD1 4.23Å; D331-I338 HydrophobicContact CB-CG2 3.9Å
339D93.3Very high83.4Confident31 Ų3176.3 Ų76.317%0.16640%0.398CS..  trans-151.8164.6178.5-142.525.8000112.4H131 K135 N329 R337H131-D339 IonicContact CE1-OD2 3.43Å; H131-D339 PolarHBondContact CE1-OD2 2.86Å; H131-D339 IonicContact NE2-OD2 2.76Å; K135-D339 WeakPolarHBondContact CE-OD1 3.21Å; K135-D339 WeakPolarHBondContact CE-OD2 3.34Å; K135-D339 IonicContact NZ-OD1 3.58Å; K135-D339 PolarHBondContact NZ-OD1 2.86Å; K135-D339 IonicContact NZ-OD2 3.8Å; K135-D339 PolarHBondContact NZ-OD2 3.28Å; N329-D339 WeakPolarHBondContact CB-O 3.23Å; N329-D339 PolarHBondContact O-N 3.06Å; N329-D339 VanDerWaalsContact O-N 3.12Å; R337-D339 WeakPolarHBondContact CG-O 3.32Å; R337-D339 PolarHBondContact NE-O 3.4Å
340D92.9Very high80.7Confident80 Ų8082.5 Ų82.543%0.42844%0.435SS..  trans-126.932.9-177.767-3.2000112.9S342 R347D340-S342 PolarHBondContact O-N 3.33Å; D340-R347 IonicContact OD1-CZ 2.65Å; D340-R347 IonicContact OD1-NH1 2.79Å; D340-R347 PolarHBondContact OD1-NH1 2.95Å; D340-R347 IonicContact OD1-NH2 3.18Å; D340-R347 IonicContact OD2-CZ 3.51Å; D340-R347 IonicContact OD2-NH1 3.6Å; D340-R347 PolarHBondContact OD2-NH1 2.94Å; D340-R347 IonicContact OD2-NH2 3.24Å; D340-R347 PolarHBondContact OD2-NH2 3.46Å
341F91.8Very high77.9Confident62 Ų6286.4 Ų86.427%0.27246%0.462SS..  trans-68.6127.8177.4176.9-97.6000111.5L327 N329 P343L327-F341 HydrophobicContact CB-CD1 4.48Å; L327-F341 HydrophobicContact CD2-CD1 4.01Å; L327-F341 HydrophobicContact CD2-CE1 3.99Å; N329-F341 PolarHBondContact ND2-O 3.49Å; N329-F341 WeakPolarHBondContact OD1-CB 3.47Å; N329-F341 PolarHBondContact OD1-N 3.16Å; N329-F341 PolarHBondContact OD1-O 2.93Å; F341-P343 HydrophobicContact CE1-CB 4.15Å; F341-P343 HydrophobicContact CZ-CB 4.37Å
342S89.9Confident75.2Confident40 Ų4094.1 Ų94.128%0.2850%0.495SS..  trans-123.9126.9172.5167.90000109.4D340 S345D340-S342 PolarHBondContact O-N 3.33Å; S342-S345 VanDerWaalsContact CB-OG 3.27Å; S342-S345 WeakPolarHBondContact CB-OG 3.48Å; S342-S345 PolarHBondContact OG-N 2.92Å; S342-S345 PolarHBondContact OG-OG 3.26Å
343P86.2Confident72.4Confident30 Ų3097.7 Ų97.720%0.19553%0.528CS..SBendtrans-78.5-26177.831.6-34.6000113.2L327 F341 W370L327-P343 HydrophobicContact CD2-CG 4.02Å; F341-P343 HydrophobicContact CE1-CB 4.15Å; F341-P343 HydrophobicContact CZ-CB 4.37Å; P343-W370 HydrophobicContact CB-CB 3.48Å; P343-W370 VanDerWaalsContact CB-CB 3.48Å; P343-W370 HydrophobicContact CB-CD2 4.47Å; P343-W370 HydrophobicContact CB-CG 3.75Å; P343-W370 HydrophobicContact CG-CB 3.9Å; P343-W370 HydrophobicContact CG-CD2 4.43Å; P343-W370 HydrophobicContact CG-CG 4.14Å
344D83.9Confident69.9Low94 Ų94103.9 Ų103.950%0.50354%0.543SS..SBendtrans-78.5-27.6-179.4-63.4-50.7000112.5R293 P346R293-D344 IonicContact CZ-OD1 3.22Å; R293-D344 IonicContact CZ-OD2 3.19Å; R293-D344 IonicContact NH1-OD1 2.69Å; R293-D344 IonicContact NH1-OD2 2.72Å; R293-D344 PolarHBondContact NH1-OD2 2.97Å; R293-D344 IonicContact NH2-OD1 3.18Å; R293-D344 PolarHBondContact NH2-OD1 3.44Å; R293-D344 IonicContact NH2-OD2 3.64Å; R293-D344 PolarHBondContact NH2-OD2 2.84Å; D344-P346 VanDerWaalsContact C-CD 3.43Å; D344-P346 WeakPolarHBondContact O-CD 3.47Å
345S72.9Confident67.8Low76 Ų76105.5 Ų105.553%0.53156%0.557SS.*SBendtrans-121.968.9-18064.60000110.2S342 R347S342-S345 VanDerWaalsContact CB-OG 3.27Å; S342-S345 WeakPolarHBondContact CB-OG 3.48Å; S342-S345 PolarHBondContact OG-N 2.92Å; S342-S345 PolarHBondContact OG-OG 3.26Å; S345-R347 PolarHBondContact O-N 3.5Å
346P61.8Low65.7Low99 Ų99110 Ų11064%0.64358%0.583SS**  trans-61112.4-179.525.5-34000109.6D344D344-P346 VanDerWaalsContact C-CD 3.43Å; D344-P346 WeakPolarHBondContact O-CD 3.47Å
347R55Low63.1Low170 Ų170108.6 Ų108.664%0.64259%0.587SS**  trans-53.7127173-78.8-177.2171.1149.71108.5D340 S345 Q349D340-R347 IonicContact OD1-CZ 2.65Å; D340-R347 IonicContact OD1-NH1 2.79Å; D340-R347 PolarHBondContact OD1-NH1 2.95Å; D340-R347 IonicContact OD1-NH2 3.18Å; D340-R347 IonicContact OD2-CZ 3.51Å; D340-R347 IonicContact OD2-NH1 3.6Å; D340-R347 PolarHBondContact OD2-NH1 2.94Å; D340-R347 IonicContact OD2-NH2 3.24Å; D340-R347 PolarHBondContact OD2-NH2 3.46Å; S345-R347 PolarHBondContact O-N 3.5Å; R347-Q349 PolarHBondContact O-N 3.5Å
348P45.2Very low60.3Low121 Ų121114.3 Ų114.379%0.78661%0.609SS**  trans-60.8111.5-179.724.1-32.9000108.6V350P348-V350 PolarHBondContact O-N 3Å
349Q50.9Low57.3Low124 Ų124115.1 Ų115.158%0.57962%0.621SS**  trans-64.2114179.5-71.6-172.18.300108.2R347 C351R347-Q349 PolarHBondContact O-N 3.5Å; Q349-C351 PolarHBondContact O-N 3.42Å
350V39.1Very low54.4Low130 Ų130118.7 Ų118.779%0.78865%0.649SS**  trans-72.379.8170.5-176.40000107.7P348 K352P348-V350 PolarHBondContact O-N 3Å; V350-K352 VanDerWaalsContact C-N 3.3Å; V350-K352 PolarHBondContact O-N 3.2Å
351C36.2Very low51.7Low104 Ų104120.4 Ų120.470%0.70367%0.665SS**  trans-59.995.2168.2-62.70000107.7Q349 A353Q349-C351 PolarHBondContact O-N 3.42Å; C351-A353 PolarHBondContact O-N 2.89Å
352K35.5Very low49.2Very low190 Ų190121.8 Ų121.883%0.82668%0.68SS**  trans-56.8106.9168.6-74.4-172.8177-177.90107.2V350 R354V350-K352 VanDerWaalsContact C-N 3.3Å; V350-K352 PolarHBondContact O-N 3.2Å; K352-R354 PolarHBondContact O-N 3.24Å
353A33Very low46.9Very low102 Ų102124 Ų12484%0.84370%0.702SS**  trans-61.397-176.300000109.8C351 S355C351-A353 PolarHBondContact O-N 2.89Å; A353-S355 PolarHBondContact O-N 3.23Å
354R38.3Very low45.1Very low245 Ų245124.9 Ų124.993%0.92571%0.706SS**  trans-71.2122.1162.1-78.8-173.7167.2-176.9-3.5106.6K352K352-R354 PolarHBondContact O-N 3.24Å
355S47.3Very low43.4Very low109 Ų109125.8 Ų125.876%0.76273%0.727SS**  trans-61.8138.8-176.5360000111.7A353A353-S355 PolarHBondContact O-N 3.23Å
356N45.7Very low42.8Very low164 Ų164124 Ų12488%0.87772%0.72SS**  trans55.479.4157.7-57.6-0.2000117.5
357S36.4Very low43.4Very low97 Ų97123.8 Ų123.868%0.67871%0.713SS**  trans-140.7129.6138.768.50000110.5S359S357-S359 PolarHBondContact O-N 3.33Å
358W36.9Very low44.7Very low258 Ų258117.7 Ų117.798%0.97770%0.697SS**  trans-75.877.1176-165.6-58000110
359S31.1Very low46.7Very low92 Ų92112 Ų11264%0.64366%0.66SS**  trans-135.382.6179-65.40000108.9S357 C361S357-S359 PolarHBondContact O-N 3.33Å; S359-C361 PolarHBondContact O-N 3.34Å
360S31.9Very low48.3Very low106 Ų106106.4 Ų106.474%0.74163%0.633SS**  trans-61.4104.9166.751.10000108.9P362S360-P362 WeakPolarHBondContact O-CD 3.41Å
361C37.2Very low50.2Low115 Ų115102.2 Ų102.278%0.77761%0.61SS**  trans-54.4125164.7-66.70000107.9S359 A363S359-C361 PolarHBondContact O-N 3.34Å; C361-A363 PolarHBondContact O-N 3.28Å
362P38.8Very low51.8Low91 Ų91106.2 Ų106.259%0.59162%0.615SS**  trans-63.1112.8171.126.1-31.7000107.4S360 V364S360-P362 WeakPolarHBondContact O-CD 3.41Å; P362-V364 PolarHBondContact O-N 2.99Å
363A40.8Very low53.3Low88 Ų88100.4 Ų100.473%0.72760%0.599SS**  trans-56.3134.917400000108.5C361 A365C361-A363 PolarHBondContact O-N 3.28Å; A363-A365 PolarHBondContact O-N 3Å
364V49.1Very low55.3Low47 Ų4797.2 Ų97.229%0.28557%0.566SS.*  trans-60107.3-176.4-178.70000108.4L67 K72 P362 G366L67-V364 HydrophobicContact CD2-CG2 3.93Å; K72-V364 HydrophobicContact CB-CG1 4.25Å; K72-V364 HydrophobicContact CD-CG1 3.75Å; K72-V364 HydrophobicContact CG-CG1 3.78Å; P362-V364 PolarHBondContact O-N 2.99Å; V364-G366 PolarHBondContact O-N 2.63Å
365A47.9Very low56.6Low114 Ų11491.1 Ų91.194%0.94256%0.556SS**  trans-79.546.8-165.700000113.3A363A363-A365 PolarHBondContact O-N 3Å
366G60Low57.5Low38 Ų3888.5 Ų88.539%0.39254%0.536SS..SBendtrans-164.9135.2178.900000111.7K72 V364K72-G366 PolarHBondContact NZ-O 2.91Å; V364-G366 PolarHBondContact O-N 2.63Å
367L74.7Confident58Low94 Ų9482.4 Ų82.449%0.49251%0.512SS..  trans-45139.1179.5-65.7168.8000111.7K72 S373 F374K72-L367 PolarHBondContact NZ-O 2.92Å; L367-S373 WeakPolarHBondContact CD1-O 3.42Å; L367-F374 HydrophobicContact CB-CD2 4.13Å; L367-F374 WeakPolarHBondContact O-CD2 3.33Å
368S83.5Confident58.1Low43 Ų4383.2 Ų83.230%0.30152%0.518SS..  trans-59.5141.8174.11740000110.7D143 W370 S371D143-S368 WeakPolarHBondContact OD1-CB 3.4Å; D143-S368 PolarHBondContact OD1-OG 3.48Å; D143-S368 WeakPolarHBondContact OD2-CA 3.31Å; S368-W370 PolarHBondContact O-N 3.43Å; S368-W370 PolarHBondContact OG-N 3.2Å; S368-S371 VanDerWaalsContact O-CB 3.29Å; S368-S371 WeakPolarHBondContact O-CB 3.18Å; S368-S371 PolarHBondContact O-N 2.98Å
369I85.5Confident58.1Low0 Ų075.2 Ų75.20%051%0.507CS..THydrogen-bonded Turntrans-57.5-21.7176.367.3178.4000113.2I74 D143 I145 F163 S371 F374I74-I369 HydrophobicContact CD1-CG2 3.62Å; I74-I369 HydrophobicContact CG1-CG2 3.87Å; I74-I369 HydrophobicContact CG2-CD1 3.94Å; D143-I369 HydrophobicContact CB-CD1 3.98Å; D143-I369 HydrophobicContact CB-CG1 3.96Å; D143-I369 HydrophobicContact CB-CG2 4.45Å; D143-I369 PolarHBondContact OD2-N 3.39Å; D143-I369 VanDerWaalsContact OD2-N 3.09Å; I145-I369 HydrophobicContact CB-CD1 4.5Å; F163-I369 HydrophobicContact CD1-CB 4.37Å; F163-I369 HydrophobicContact CD1-CG2 4.42Å; I369-S371 VanDerWaalsContact C-N 3.34Å; I369-F374 HydrophobicContact CG2-CE2 4.32Å; I369-F374 HydrophobicContact CG2-CZ 4.45Å
370W85.8Confident57.9Low7 Ų774.7 Ų74.73%0.02751%0.508CS..THydrogen-bonded Turntrans-83.5-9.3179.2-55.4105.5000113.3C144 I145 F288 P290 R293 L323 A326 L327 P343 S368C144-W370 WeakPolarHBondContact O-CZ2 3.49Å; I145-W370 HydrophobicContact CB-CH2 4.32Å; I145-W370 HydrophobicContact CB-CZ2 3.99Å; I145-W370 HydrophobicContact CD1-CH2 4.21Å; I145-W370 HydrophobicContact CG1-CH2 4.06Å; I145-W370 HydrophobicContact CG1-CZ2 4.24Å; F288-W370 HydrophobicContact CE1-CH2 4.43Å; F288-W370 AromaticContact CE1-CZ3 3.88Å; F288-W370 HydrophobicContact CE1-CZ3 3.88Å; P290-W370 HydrophobicContact CB-CE3 4.48Å; P290-W370 HydrophobicContact CB-CZ3 4.41Å; R293-W370 PolarHBondContact NH2-O 3.05Å; L323-W370 HydrophobicContact CD1-CZ3 4.2Å; A326-W370 HydrophobicContact CB-CH2 4.13Å; L327-W370 HydrophobicContact CD2-CD2 4.07Å; L327-W370 HydrophobicContact CD2-CE3 3.94Å; L327-W370 HydrophobicContact CD2-CH2 3.78Å; L327-W370 HydrophobicContact CD2-CZ2 3.91Å; L327-W370 HydrophobicContact CD2-CZ3 3.78Å; L327-W370 HydrophobicContact CG-CH2 4.45Å; L327-W370 HydrophobicContact CG-CZ3 4.45Å; P343-W370 HydrophobicContact CB-CB 3.48Å; P343-W370 VanDerWaalsContact CB-CB 3.48Å; P343-W370 HydrophobicContact CB-CD2 4.47Å; P343-W370 HydrophobicContact CB-CG 3.75Å; P343-W370 HydrophobicContact CG-CB 3.9Å; P343-W370 HydrophobicContact CG-CD2 4.43Å; P343-W370 HydrophobicContact CG-CG 4.14Å; S368-W370 PolarHBondContact O-N 3.43Å; S368-W370 PolarHBondContact OG-N 3.2Å
371S79.3Confident57.8Low42 Ų4274.8 Ų74.829%0.29451%0.506SS..  trans-75133.8-179.2-173.70000111.6S368 I369 S373 F374S368-S371 VanDerWaalsContact O-CB 3.29Å; S368-S371 WeakPolarHBondContact O-CB 3.18Å; S368-S371 PolarHBondContact O-N 2.98Å; I369-S371 VanDerWaalsContact C-N 3.34Å; S371-S373 PolarHBondContact O-N 3.33Å; S371-S373 PolarHBondContact OG-N 2.87Å; S371-S373 PolarHBondContact OG-OG 3.19Å; S371-F374 VanDerWaalsContact O-CB 3.24Å; S371-F374 WeakPolarHBondContact O-CB 2.82Å; S371-F374 PolarHBondContact O-N 3.02Å
372K69.6Low57.6Low188 Ų18875.1 Ų75.182%0.81751%0.507SS*.THydrogen-bonded Turntrans-61.7-13.5170.7-60-177.5-177.9-179.60113.8
373S66.9Low57.1Low69 Ų6976.3 Ų76.348%0.48352%0.516SS..THydrogen-bonded Turntrans-94.2-0.8173.565.80000113.9L367 S371 T375L367-S373 WeakPolarHBondContact CD1-O 3.42Å; S371-S373 PolarHBondContact O-N 3.33Å; S371-S373 PolarHBondContact OG-N 2.87Å; S371-S373 PolarHBondContact OG-OG 3.19Å; S373-T375 PolarHBondContact O-N 3.13Å
374F74.1Confident56.5Low35 Ų3577.7 Ų77.715%0.15452%0.518CS..  trans-70.9101.1175.5-172.7-85000109.8F163 L367 I369 S371 P376F163-F374 HydrophobicContact CB-CE1 4.24Å; F163-F374 AromaticContact CD1-CD1 3.56Å; F163-F374 HydrophobicContact CD1-CD1 3.56Å; F163-F374 AromaticContact CD1-CE1 3.13Å; F163-F374 HydrophobicContact CD1-CE1 3.13Å; F163-F374 AromaticContact CD1-CZ 3.92Å; F163-F374 HydrophobicContact CD1-CZ 3.92Å; F163-F374 AromaticContact CE1-CD1 3.41Å; F163-F374 HydrophobicContact CE1-CD1 3.41Å; F163-F374 VanDerWaalsContact CE1-CD1 3.41Å; F163-F374 AromaticContact CE1-CE1 3.53Å; F163-F374 HydrophobicContact CE1-CE1 3.53Å; F163-F374 HydrophobicContact CE1-CG 4.44Å; F163-F374 AromaticContact CG-CE1 3.78Å; F163-F374 HydrophobicContact CG-CE1 3.78Å; F163-F374 HydrophobicContact CZ-CD1 4.32Å; F163-F374 HydrophobicContact CZ-CE1 4.46Å; L367-F374 HydrophobicContact CB-CD2 4.13Å; L367-F374 WeakPolarHBondContact O-CD2 3.33Å; I369-F374 HydrophobicContact CG2-CE2 4.32Å; I369-F374 HydrophobicContact CG2-CZ 4.45Å; S371-F374 VanDerWaalsContact O-CB 3.24Å; S371-F374 WeakPolarHBondContact O-CB 2.82Å; S371-F374 PolarHBondContact O-N 3.02Å; F374-P376 HydrophobicContact CE1-CG 4.47Å; F374-P376 WeakPolarHBondContact O-CD 3.49Å
375T65.6Low55.5Low117 Ų11783.2 Ų83.272%0.71855%0.546SS*.  trans-78.8121.8163.753.20000108.8S373S373-T375 PolarHBondContact O-N 3.13Å
376P67.1Low54.5Low54 Ų5484.2 Ų84.235%0.35154%0.54SS..  trans-52.5143.3169.5-25.835.7000110.8T161 F163 F374 S378T161-P376 WeakPolarHBondContact O-CB 3.36Å; F163-P376 HydrophobicContact CD2-CB 4.31Å; F163-P376 HydrophobicContact CD2-CG 4.08Å; F163-P376 HydrophobicContact CE2-CB 4.4Å; F163-P376 HydrophobicContact CE2-CG 3.69Å; F163-P376 HydrophobicContact CZ-CG 3.92Å; F374-P376 HydrophobicContact CE1-CG 4.47Å; F374-P376 WeakPolarHBondContact O-CD 3.49Å; P376-S378 PolarHBondContact O-N 2.83Å
377G55.8Low53.1Low36 Ų3687.1 Ų87.137%0.37155%0.554SS.*  trans-66.497.7-178.900000109.9G162 A379G162-G377 PolarHBondContact O-N 3.26Å; G377-A379 PolarHBondContact O-N 2.91Å
378S38.9Very low51.2Low113 Ų11389 Ų8979%0.7957%0.57SS**  trans-50.5131.5168.9-175.60000108.3P376 A380P376-S378 PolarHBondContact O-N 2.83Å; S378-A380 VanDerWaalsContact C-N 3.31Å; S378-A380 PolarHBondContact O-N 2.78Å
379A36.8Very low48.7Very low90 Ų9095.3 Ų95.374%0.74459%0.594SS**  trans-66.195.9178.600000108G377G377-A379 PolarHBondContact O-N 2.91Å
380A27.3Very low46.4Very low82 Ų82104.4 Ų104.468%0.67863%0.634SS**PPolyproline II helixtrans-52.7133.8176.200000108.4S378S378-A380 VanDerWaalsContact C-N 3.31Å; S378-A380 PolarHBondContact O-N 2.78Å
381P29.9Very low44Very low108 Ų108109.7 Ų109.770%0.70167%0.669SS**PPolyproline II helixtrans-55.8146.1168.227.1-33.9000107.9C383P381-C383 PolarHBondContact O-N 2.98Å; P381-C383 VanDerWaalsContact O-N 3.12Å
382P32.4Very low42.1Very low122 Ų122113.1 Ų113.179%0.79269%0.69SS**PPolyproline II helixtrans-54.2126.8172.424.8-33.2000108
383C27.4Very low41Very low116 Ų116109.9 Ų109.978%0.78469%0.691SS**PPolyproline II helixtrans-51.8130.8170.9-62.70000107.5P381 D385P381-C383 PolarHBondContact O-N 2.98Å; P381-C383 VanDerWaalsContact O-N 3.12Å; C383-D385 PolarHBondContact O-N 3.34Å
384P28.1Very low39.8Very low117 Ų117113.4 Ų113.476%0.7671%0.71SS**PPolyproline II helixtrans-57139.4-178.624.5-33.9000109.4V386P384-V386 PolarHBondContact O-N 2.93Å
385D28.1Very low38.1Very low163 Ų163123 Ų12387%0.87275%0.745SS**PPolyproline II helixtrans-50.8117.3-176-79.1-60.1000110.8C383 S387C383-D385 PolarHBondContact O-N 3.34Å; D385-S387 VanDerWaalsContact C-N 3.34Å; D385-S387 PolarHBondContact O-N 3.19Å
386V28.3Very low37.3Very low135 Ų135121.2 Ų121.282%0.81875%0.75SS**  trans-66.7102.3165.4176.30000106.1P384 T388P384-V386 PolarHBondContact O-N 2.93Å; V386-T388 PolarHBondContact O-N 3.03Å
387S30.2Very low36.1Very low98 Ų98126 Ų12669%0.68577%0.768SS**  trans-48.5109.3-172.852.60000111D385 E389D385-S387 VanDerWaalsContact C-N 3.34Å; D385-S387 PolarHBondContact O-N 3.19Å; S387-E389 VanDerWaalsContact C-N 3.26Å; S387-E389 PolarHBondContact O-N 3.38Å
388T35.5Very low35.7Very low135 Ų135133.4 Ų133.483%0.82879%0.793SS**  trans-78.280.3-178.9-24.10000109.1V386 K390V386-T388 PolarHBondContact O-N 3.03Å; T388-K390 PolarHBondContact O-N 2.91Å
389E29.7Very low36Very low175 Ų175137.4 Ų137.482%0.81879%0.791SS**PPolyproline II helixtrans-55124.9167.7-73.1-143.8131.800109S387S387-E389 VanDerWaalsContact C-N 3.26Å; S387-E389 PolarHBondContact O-N 3.38Å
390K36.8Very low36.7Very low191 Ų191140.1 Ų140.183%0.8380%0.797SS**PPolyproline II helixtrans-70126.8175-70.1177.2179.41730107.9T388T388-K390 PolarHBondContact O-N 2.91Å
391P36.2Very low37.8Very low118 Ų118143.1 Ų143.177%0.76680%0.8SS**PPolyproline II helixtrans-58.7133.8171.125.1-33.1000109.2
392P39.7Very low38.6Very low114 Ų114142.7 Ų142.774%0.7480%0.8SS**PPolyproline II helixtrans-65152.4-178.126.2-34.2000111.4T394P392-T394 PolarHBondContact O-N 2.87Å
393S45.3Very low39.4Very low119 Ų119144.3 Ų144.383%0.83280%0.801SS**  trans-64.9109.5-175.3-170.30000111.8R395S393-R395 PolarHBondContact O-N 2.86Å
394T43.4Very low40.2Very low144 Ų144144.6 Ų144.688%0.88380%0.795SS**  trans-76.386.5176.5530000110.9P392P392-T394 PolarHBondContact O-N 2.87Å
395R36.5Very low40.9Very low236 Ų236147.5 Ų147.589%0.89180%0.798SS**  trans-129.7104.5170-162.6178.8-168.4-1642.2110.6S393S393-R395 PolarHBondContact O-N 2.86Å
396G50.5Low41.5Very low79 Ų79148.1 Ų148.181%0.81480%0.8SS**SBendtrans91.362.9171.900000115.9
397Q41.9Very low41.9Very low154 Ų154153.5 Ų153.572%0.7281%0.806SS**  trans-133.1124.4147.1-79.1-159.2-8.200109.6
398E46.7Very low42.3Very low193 Ų193157.4 Ų157.490%0.90282%0.818SS**  trans-88.9140168-174168.4-126.900108.5
399R44.9Very low42.2Very low197 Ų197160.3 Ų160.374%0.74382%0.823SS**  trans-141.8121.9175.6-68.7-167.7-177.4-158.60.9110.7
400V52.9Low42.3Very low146 Ų146159.7 Ų159.789%0.88582%0.819SS**  trans-74139.5170-178.40000109
401I50.3Low41.9Very low145 Ų145162.4 Ų162.474%0.74482%0.824SS**  trans-113.5120177.3-57.9176.4000107.8
402S46.1Very low41.8Very low99 Ų99164.1 Ų164.169%0.69282%0.822SS**  trans-81.4150.4170.1-151.70000110.8D404S402-D404 PolarHBondContact OG-OD2 2.99Å
403L49.8Very low41.3Very low156 Ų156167.5 Ų167.582%0.81783%0.828SS**  trans-108.5-2.8-161.4-89.7167.6000115.9H405L403-H405 PolarHBondContact O-N 3Å
404D42.7Very low41Very low122 Ų122168 Ų16865%0.65283%0.829SS**THydrogen-bonded Turntrans-69.4-23.5-153.8-59.1-73000116.7S402S402-D404 PolarHBondContact OG-OD2 2.99Å
405H43.8Very low40.4Very low178 Ų178169.3 Ų169.382%0.82483%0.829SS**THydrogen-bonded Turntrans-132.252-164.3-64.7-21.2000115.9L403L403-H405 PolarHBondContact O-N 3Å
406L39.3Very low40.2Very low176 Ų176168 Ų16892%0.92183%0.83SS**  trans-121.893.4158.8-74.8177.7000111
407R36.8Very low39.4Very low248 Ų248175.8 Ų175.894%0.93684%0.835SS**  trans-134.799.1-179.2-158.2-179.2-163.7-171.16.4110.8
408L39.4Very low38.9Very low180 Ų180176.3 Ų176.394%0.94284%0.841SS**  trans-124.9152.1168.4-90.7169.1000110.1
409Q33.9Very low38.2Very low197 Ų197178.3 Ų178.392%0.92184%0.841SS**  trans-88.8153.6-157.5-68-171.4-700114.9
410H30.6Very low37.5Very low162 Ų162177.1 Ų177.175%0.7584%0.844SS**  trans-97.7137.7-174.9-173.3-108.4000111
411R29.2Very low36.7Very low248 Ų248178.2 Ų178.294%0.93685%0.845SS**  trans-143.4144.6158.3-164.7167.6-176.2167.62.3109.8
412E33.9Very low36.2Very low153 Ų153176.4 Ų176.472%0.71585%0.845SS**  trans-97.9155.8-147.8-63.9155.115600114.7
413Q28.8Very low35.9Very low185 Ų185177.9 Ų177.986%0.86485%0.854SS**  trans-131.3147.8153.8-73.2-166.1-9.100109.7
414P38.7Very low35.5Very low131 Ų131175.4 Ų175.485%0.85185%0.845SS**PPolyproline II helixtrans-84.2154.7-155.631.3-36.9000116
415L30.9Very low36.1Very low171 Ų171172.9 Ų172.990%0.89584%0.837SS**PPolyproline II helixtrans-64.5135.6-179.3-65.3157.5000113.4
416K33.5Very low36.1Very low209 Ų209170.7 Ų170.791%0.90983%0.831SS**PPolyproline II helixtrans-80.9131.4154.1-88.8-174.7175.7179.80109.1
417R33Very low36.5Very low242 Ų242169.1 Ų169.191%0.91382%0.819SS**PPolyproline II helixtrans-74147177.1-69.6-178177.7144.50.1111.7
418L32.2Very low37.2Very low164 Ų164163.4 Ų163.486%0.85980%0.803SS**PPolyproline II helixtrans-56.3154.4157.8-171.865.5000109.8
419R30.8Very low38Very low236 Ų236158.9 Ų158.989%0.89178%0.783SS**  trans-135.5136.9168.1-124.6177.8-176.9146.91.1109
420E32Very low38.8Very low172 Ų172155.6 Ų155.680%0.80477%0.771SS**  trans-80.1152.9-175.4-64.4138.2135.600111.5
421D35.1Very low39.7Very low169 Ų169154.6 Ų154.690%0.90477%0.766SS**  trans-66.2139.1168.3-66.4-64000110.2
422S39.5Very low40.7Very low106 Ų106150.7 Ų150.774%0.74176%0.759SS**  trans-147.8121.3171.9-74.70000109.7V424S422-V424 PolarHBondContact O-N 2.79Å
423C40.3Very low41.2Very low131 Ų131153.1 Ų153.189%0.88576%0.763SS**  trans-63.5130.4177.9-179.40000110.6
424V41.3Very low42Very low103 Ų103148.8 Ų148.862%0.62475%0.753SS**  trans-124.6132.7165.6-179.90000106.6S422 E428S422-V424 PolarHBondContact O-N 2.79Å; V424-E428 WeakPolarHBondContact CG1-OE2 3.25Å
425S54.7Low41.9Very low70 Ų70148.1 Ų148.149%0.4975%0.752SS.*  trans-82.5142-170.8-177.60000112.2Q427 E428S425-Q427 PolarHBondContact O-N 3.08Å; S425-E428 PolarHBondContact O-N 2.93Å; S425-E428 VanDerWaalsContact O-N 3.13Å
426D43.8Very low42.3Very low131 Ų131145.7 Ų145.770%0.70175%0.749SS**Hα-helixtrans-53.4-22.2178.7-65-51.9000113.6E428 V429 L430D426-E428 VanDerWaalsContact C-N 3.34Å; D426-E428 PolarHBondContact O-N 3.23Å; D426-V429 PolarHBondContact O-N 2.77Å; D426-L430 PolarHBondContact O-N 3.06Å
427Q48.8Very low42.5Very low143 Ų143139.5 Ų139.567%0.66875%0.745SS**Hα-helixtrans-71.4-21.7-177.5-162.6157.8-1.200114.1S425S425-Q427 PolarHBondContact O-N 3.08Å
428E49.9Very low42.5Very low129 Ų129136.3 Ų136.360%0.60374%0.744SS**Hα-helixtrans-77.3-35171.7-70.7-169.6114.800112V424 S425 D426 L430 Q431V424-E428 WeakPolarHBondContact CG1-OE2 3.25Å; S425-E428 PolarHBondContact O-N 2.93Å; S425-E428 VanDerWaalsContact O-N 3.13Å; D426-E428 VanDerWaalsContact C-N 3.34Å; D426-E428 PolarHBondContact O-N 3.23Å; E428-L430 VanDerWaalsContact C-N 3.31Å; E428-L430 PolarHBondContact O-N 3.44Å; E428-Q431 PolarHBondContact O-N 2.68Å
429V56.7Low42.7Very low85 Ų85138.3 Ų138.352%0.51575%0.746SS.*Hα-helixtrans-65.3-37178.6-176.10000111D426 Q431 Q432D426-V429 PolarHBondContact O-N 2.77Å; V429-Q431 VanDerWaalsContact C-N 3.32Å; V429-Q431 PolarHBondContact O-N 2.64Å; V429-Q432 PolarHBondContact O-N 3.19Å
430L50.6Low42.6Very low127 Ų127138.2 Ų138.267%0.66575%0.746SS**Hα-helixtrans-71.2-20.8179.2-79.5163.4000114.3D426 E428 S434D426-L430 PolarHBondContact O-N 3.06Å; E428-L430 VanDerWaalsContact C-N 3.31Å; E428-L430 PolarHBondContact O-N 3.44Å; L430-S434 PolarHBondContact O-OG 2.98Å
431Q50Low42.4Very low142 Ų142135.3 Ų135.366%0.66475%0.745SS**Hα-helixtrans-76.4-25.8175.9-71.1-172.6-1.600112.9E428 V429 Y433 S434E428-Q431 PolarHBondContact O-N 2.68Å; V429-Q431 VanDerWaalsContact C-N 3.32Å; V429-Q431 PolarHBondContact O-N 2.64Å; Q431-Y433 PolarHBondContact O-N 3.47Å; Q431-Y433 VanDerWaalsContact O-N 3.16Å; Q431-S434 PolarHBondContact O-N 3.03Å
432Q50Low42.2Very low166 Ų166135.9 Ų135.978%0.77674%0.739SS**THydrogen-bonded Turntrans-69-12.3-178.3-65.5-168.2-1900114.8V429V429-Q432 PolarHBondContact O-N 3.19Å
433Y45.3Very low41.6Very low203 Ų203136.3 Ų136.380%0.79673%0.732SS**THydrogen-bonded Turntrans-104.35.5177-71.2-84.1000113.9Q431Q431-Y433 PolarHBondContact O-N 3.47Å; Q431-Y433 VanDerWaalsContact O-N 3.16Å
434S45.3Very low41.3Very low95 Ų95136.2 Ų136.266%0.66472%0.719SS**  trans-117.277.8-169.2-64.80000113.6L430 Q431L430-S434 PolarHBondContact O-OG 2.98Å; Q431-S434 PolarHBondContact O-N 3.03Å
435S37Very low40.7Very low117 Ų117140.9 Ų140.982%0.81873%0.734SS**  trans-148.7113.1163.964.80000113
436S38Very low39.4Very low119 Ų119145.9 Ų145.983%0.83274%0.742SS**  trans-77.3150.4170.548.50000111.6
437G38.8Very low38.7Very low80 Ų80147.5 Ų147.583%0.82575%0.746SS**  trans-88.5125.5-174.700000114
438L32.1Very low37.8Very low174 Ų174144.6 Ų144.691%0.91174%0.735SS**  trans-147.9117.2166.8-107.1153.8000110.1
439K36.9Very low36.9Very low207 Ų207147.3 Ų147.390%0.975%0.745SS**  trans-97.3143.1174.6-76.6-174.1174.4-176.50110.7
440R28.7Very low36.1Very low233 Ų233149.3 Ų149.388%0.87976%0.759SS**  trans-155.9120.5166.9-156179.4-1701753.5113.9
441S28.5Very low35.2Very low111 Ų111147.9 Ų147.978%0.77677%0.765SS**  trans57.1155.6160.3490000118.6
442K29.6Very low34.2Very low181 Ų181146 Ų14679%0.78777%0.768SS**  cis-149.8-176.2-4.9-128.7-164.3173-153.30106.1
443L28.4Very low33.2Very low115 Ų115143.1 Ų143.160%0.60277%0.766SS**  cis-135.7-113.22.2179.436.9000110.4
444E32.6Very low32.5Very low130 Ų130139.4 Ų139.461%0.60777%0.77SS**  trans-159.8153.4-164.8-80.6175.5100.700110.7R446E444-R446 IonicContact OE1-NE 3.83Å; E444-R446 PolarHBondContact OE1-NE 2.98Å
445Q28.8Very low31.9Very low201 Ų201143.2 Ų143.294%0.93978%0.777SS**  -144.5152.9117.2-136.7168.23.400108.8
446R28.7Very low32.1Very low175 Ų175143.3 Ų143.366%0.6678%0.775SS**  trans-104.1179.1-165-67.9-168.2171.4-156.517.3113.5E444 D448E444-R446 IonicContact OE1-NE 3.83Å; E444-R446 PolarHBondContact OE1-NE 2.98Å; R446-D448 IonicContact CZ-OD2 2.7Å; R446-D448 IonicContact NH1-OD2 2.72Å; R446-D448 PolarHBondContact NH1-OD2 2.87Å
447Q28.7Very low31.8Very low165 Ų165148.5 Ų148.577%0.77178%0.777SS**  cis-153.4164.123.7-99.3-150.4-7200111.8
448D28.7Very low31.9Very low82 Ų82150.7 Ų150.744%0.43978%0.776SS.*  cis-154.8-73-24.5-146.9-68.9000111.8R446R446-D448 IonicContact CZ-OD2 2.7Å; R446-D448 IonicContact NH1-OD2 2.72Å; R446-D448 PolarHBondContact NH1-OD2 2.87Å
449K31.6Very low32Very low186 Ų186154 Ų15481%0.80978%0.776SS**  trans-160.5170.5-155.6-92.9176.2-169.1168.30114.7
450P40.6Very low31.7Very low127 Ų127151.7 Ų151.783%0.82577%0.774SS**  cis-126.1-170.113.737.7-18.8000117.7
451A30.9Very low32Very low96 Ų96146.6 Ų146.679%0.79377%0.773SS**  trans-63.7170.3-167.900000116.5
452S28.9Very low32.3Very low104 Ų104151.5 Ų151.573%0.72778%0.78SS**  cis-153.7153.731.156.80000119.7
453S28.3Very low32.3Very low104 Ų104147 Ų14773%0.72778%0.777SS**  trans44106.314958.30000122.9
454S32.2Very low32.3Very low125 Ų125151.8 Ų151.887%0.87479%0.793SS**  177.6162.8106.947.50000112
455Q32.6Very low32.1Very low175 Ų175151.7 Ų151.782%0.81880%0.802SS**  trans-111.3143.8-172.7-75.7-168.8-6.100114.6
456P39.9Very low32.2Very low119 Ų119148.2 Ų148.277%0.77379%0.794SS**  trans-98.8162.916537.9-33000113.4
457R32.2Very low32.2Very low229 Ų229147.8 Ų147.886%0.86480%0.804SS**  trans-141.2131.1163.3-74-171.3179.1-174.20.7111.5
458P41.5Very low32.4Very low126 Ų126148.1 Ų148.182%0.81881%0.81SS**  trans-84.5166.5173.434.9-34.8000112.6
459R33Very low32.5Very low242 Ų242153.7 Ų153.791%0.91383%0.833SS**  trans-118.1127.8172.6-78.9179.5166.5170.2-4.5110.8
460N32.2Very low32.4Very low160 Ų160156 Ų15686%0.85684%0.837SS**  trans-116.5136.3163.3-77.5-13.6000108.7
461C33.9Very low31.9Very low125 Ų125160.4 Ų160.485%0.84584%0.837SS**  trans-148.5129168.7-80.50000109.5
462F34.2Very low31.8Very low215 Ų215163.8 Ų163.894%0.94384%0.842SS**  trans-141.8151.9166.2-102.3-70.8000109.1
463A30.5Very low32Very low87 Ų87167 Ų16772%0.71985%0.846SS**  trans57.3115.7167.200000118.6
464F28.2Very low32.1Very low214 Ų214171.4 Ų171.494%0.93985%0.854SS**  trans-141.4118.7138.3-113.9-79.4000109.3
465V28.5Very low32Very low129 Ų129169.7 Ų169.778%0.78284%0.843SS**  trans-143.7150.41741770000106.8
466T30.7Very low31.8Very low127 Ų127170.7 Ų170.778%0.77985%0.847SS**  trans81.388.1176.6-32.50000115.9
467L29.8Very low31.3Very low166 Ų166172.1 Ų172.187%0.86985%0.848SS**  trans-172.6116136.2-108.3169.7000110.5
468L32.3Very low31.2Very low173 Ų173168.9 Ų168.991%0.90685%0.848SS**  trans160.689146.8-92.6166.4000111.1
469Q30.8Very low30.6Very low198 Ų198166.7 Ų166.793%0.92585%0.848SS**  trans-156.954.7167.1-145.3-179.626.400115.2
470R29.2Very low30.4Very low234 Ų234165.7 Ų165.788%0.88385%0.845SS**  trans-162.1114.4159.9-147.2174.7-172.7175.12.4114.8
471R29.4Very low30.4Very low221 Ų221165.8 Ų165.883%0.83484%0.84SS**  171.9120.7117-98.8-178.1162.394.8-3.5111.7
472N29.8Very low30.1Very low167 Ų167165.2 Ų165.289%0.89383%0.833SS**  trans-121.6111.6146.6-86.610.5000106.4
473H32.3Very low29.9Very low172 Ų172160.2 Ų160.280%0.79682%0.82SS**  trans-163116.9161.5-136.966.9000108.7
474E30.1Very low29.9Very low195 Ų195164.1 Ų164.191%0.91182%0.823SS**  trans-132.8132.7173-69.7-176.1143.200107.8
475S30.7Very low30.3Very low90 Ų90157.8 Ų157.863%0.62981%0.805SS**  trans-169.8104.3167.355.60000110.7
476Q28.9Very low30.8Very low195 Ų195162.6 Ų162.691%0.91181%0.809SS**  trans63.7147.4163.3-68.4161.7-46.200115.3
477D28.6Very low30.9Very low150 Ų150165.7 Ų165.780%0.80281%0.812SS**  cis-145.1-179.640.2-151.1-7.1000114
478D31.5Very low31.2Very low160 Ų160166.8 Ų166.886%0.85681%0.81SS**  trans-72.4161.7-178.8-81-49.5000115.1
479G27.9Very low31Very low80 Ų80163.7 Ų163.783%0.82580%0.803SS**  trans168.1111.116600000117
480R29.9Very low30.7Very low221 Ų221164.3 Ų164.383%0.83480%0.803SS**  trans-79.9163177.7-66.3174.9163.8-158.6-2.4113.9
481Q31.1Very low30.7Very low163 Ų163158.2 Ų158.276%0.76280%0.796SS**  trans72.3151.1144.1-84.3167.3-36.400117.5
482V27.9Very low30.8Very low113 Ų113153.6 Ų153.669%0.68580%0.798SS**  cis-163.9176.9-13.473.60000111.4
483T30.7Very low30.7Very low110 Ų110150.6 Ų150.668%0.67579%0.789SS**  trans70.1116.3159.944.20000123.7
484H30.3Very low30.6Very low168 Ų168149 Ų14978%0.77879%0.792SS**  59.8102.5122.9-81.2-87.4000124.7
485S35.8Very low30.6Very low81 Ų81146.7 Ų146.757%0.56678%0.784SS**  41.9128.7112.173.60000122.5
486R38.7Very low30.5Very low231 Ų231149.2 Ų149.287%0.87280%0.796SS**  163.8139.6107.1-91.1170.7-179-1740.4111.5
487F34.2Very low30.6Very low192 Ų192148.2 Ų148.284%0.84279%0.791SS**  trans-159.6101.3137.7-118.3-81.4000112.4
488F35Very low30.6Very low188 Ų188150.1 Ų150.183%0.82580%0.795SS**  trans64.8139.4154.7-80.8-98.9000125
489S28.1Very low30.5Very low109 Ų109148 Ų14876%0.76279%0.793SS**  trans-112.2173.5-170.1-17.60000112.4
490K24.2Very low30.6Very low211 Ų211149.3 Ų149.392%0.91780%0.796SS**  trans-153.1152.3141.2-114.8180-179-174.90111
491S30Very low30.5Very low106 Ų106142.2 Ų142.274%0.74179%0.792SS**  trans-164.6-170.7-175.356.50000111.5
492S31.6Very low30.5Very low124 Ų124142.4 Ų142.487%0.86780%0.798SS**  trans79.7145.2-164.475.20000113.4
493S28Very low31.7Very low103 Ų103142 Ų14272%0.7280%0.798SS**  cis-146.1141.529.757.30000117.5
494V29.2Very low31.7Very low140 Ų140142.3 Ų142.385%0.84880%0.804SS**  83.3157.8129.3172.30000120.7
495I31.3Very low31.9Very low146 Ų146142.8 Ų142.875%0.74981%0.807SS**  trans-125.4149.3-162.8-61.1163.9000110.7
496T26.9Very low31.5Very low142 Ų142145.5 Ų145.587%0.87182%0.815SS**  trans-145.6155.6155-28.60000110.1
497E32.1Very low31.2Very low174 Ų174142.4 Ų142.481%0.81381%0.811SS**  trans-116.1-172.3178.7-65.5-165.8149.300112.9
498E28.3Very low31Very low190 Ų190139.2 Ų139.289%0.88881%0.812SS**  trans99.5143.9-179.4-64.9-167.6171.400116.2
499S30.2Very low30.8Very low117 Ų117135.2 Ų135.282%0.81881%0.807SS**  cis-157.5-168-22.858.10000109.9
500A30.1Very low31Very low106 Ų106137.8 Ų137.888%0.87681%0.812SS**  trans-101.8168.2-16000000116.8
501G27.1Very low31.3Very low73 Ų73132.8 Ų132.875%0.75380%0.803SS**  trans138.777.7142.400000121.8
502D30.9Very low31.3Very low166 Ų166136.7 Ų136.789%0.88881%0.81SS**  trans52.5176.7133.5-101.714.8000122.7
503P54.2Low31.2Very low105 Ų105136 Ų13668%0.68281%0.805SS**  trans-133.3-160.5-145.848.2-34.1000116.8
504S30.7Very low31.3Very low116 Ų116138.4 Ų138.481%0.81181%0.81SS**  trans111.2179155.979.70000118.1
505Q32.7Very low31.3Very low178 Ų178135 Ų13583%0.83280%0.803SS**  trans-89.8155.9-143.7-56.4160.6-90.500114
506D27.7Very low32.8Very low139 Ų139133.9 Ų133.974%0.74381%0.805SS**  -165.6167.3111.1-120.1-27.8000116.6
507Q33.6Very low32.8Very low166 Ų166134.7 Ų134.778%0.77680%0.804SS**  trans-80.3165.7-170.3-57.9157.871.200116.5
508S29.2Very low32.7Very low125 Ų125132.3 Ų132.387%0.87480%0.801SS**  trans-164.9159.8132.717.80000110.4
509S31.5Very low34.4Very low104 Ų104128.1 Ų128.173%0.72779%0.791SS**  trans-150.8-163-171.161.70000111.2
510L31.5Very low35.4Very low163 Ų163128.7 Ų128.785%0.85379%0.792SS**  trans86142.9177.2-53.6168.5000115.6
511S30.7Very low35.5Very low106 Ų106129.4 Ų129.474%0.74179%0.785SS**  cis-160.6165.8-12.246.90000113.2
512E30.6Very low35.7Very low188 Ų188133.7 Ų133.788%0.87979%0.785SS**  trans-71.3171.2-179.8-54.2150.1115.800114.9
513S29Very low35.6Very low108 Ų108131.9 Ų131.976%0.75578%0.78SS**  -174.6163.9117.2-170.50000112.7
514D30.3Very low35.2Very low155 Ų155131.9 Ų131.983%0.82978%0.78SS**  trans-55.3178.1-175.7-46.1-99.7000116.4
515G28.7Very low35.2Very low69 Ų69132.1 Ų132.171%0.71178%0.782SS**  cis-172.3-166.213.300000114.2
516P62.6Low36.4Very low121 Ų121129.1 Ų129.179%0.78678%0.778SS**  trans-116.1173-158.142.3-35.2000116.7
517D27.3Very low37.7Very low159 Ų159128 Ų12885%0.8578%0.778SS**  -169.5179.8128.2-126.2-40.5000115.3
518V30.6Very low37.5Very low124 Ų124125.9 Ų125.975%0.75278%0.777SS**  trans-123.1-142-158.1-157.70000116.8
519P63.8Low37.6Very low103 Ų103125.1 Ų125.167%0.66977%0.771SS**  -100.9-176.9-126.542.2-31.3000117.7
520P51Low38.4Very low129 Ų129126 Ų12684%0.83877%0.774SS**  -140-162.7114.539.1-24.8000115.9
521V32.8Very low38.2Very low120 Ų120122.5 Ų122.573%0.72777%0.769SS**  trans-150.1167.7-149.1156.50000115.2
522E30Very low37.9Very low164 Ų164127.5 Ų127.577%0.76678%0.777SS**  trans93.5108153-98.3160.9-145.800126.4
523T28.4Very low37.9Very low128 Ų128123.8 Ų123.879%0.78577%0.773SS**  71.1-166.8124.771.60000123.6
524P47.5Very low39.3Very low105 Ų105124.1 Ų124.168%0.68277%0.772SS**  -143.9155-109.844.1-21.8000122.9
525S30.2Very low40.2Very low121 Ų121122.3 Ų122.385%0.84677%0.769SS**  trans66.3-144143.6-570000122.9
526P58.5Low40.3Very low114 Ų114123.5 Ų123.574%0.7477%0.772SS**  -119.1-167.8-111.139.3-21.9000115.3
527P54.9Low38.9Very low117 Ų117122.6 Ų122.676%0.7677%0.768SS**  cis-115.5-123.4-1.337.5-18.6000116.4
528T28.4Very low39Very low121 Ų121120.1 Ų120.174%0.74276%0.764SS**  cis-158.4-176.429.6-40.70000112.7
529S31.1Very low39.2Very low108 Ų108119.7 Ų119.776%0.75577%0.766SS**  trans-151.9165.3170.4-49.40000111
530P48.3Very low37.7Very low122 Ų122124.5 Ų124.579%0.79278%0.779SS**  -164.5164.78743.5-22.1000121
531A26.9Very low36.7Very low90 Ų90121.7 Ų121.774%0.74477%0.774SS**  trans74.6144.8137.300000126.6
532K26.1Very low37.5Very low211 Ų211121.3 Ų121.392%0.91777%0.774SS**  trans85.4158.9156.1-74178.3-179.4179.10121.5
533S29.3Very low37.5Very low111 Ų111122.5 Ų122.578%0.77678%0.777SS**  trans-162.4-171.2-16757.90000110.1
534P58.6Low37.9Very low115 Ų115123.7 Ų123.775%0.74778%0.778SS**  -109.2-162.7-65.642.3-28.3000110.4
535P48.3Very low37.1Very low117 Ų117127.8 Ų127.876%0.7679%0.785SS**  -156.6175.273.442.7-21.3000118.2
536A30.8Very low37.2Very low94 Ų94130.2 Ų130.278%0.77778%0.783SS**  trans42.1156139.400000124.2
537S33.5Very low35.8Very low101 Ų101135.7 Ų135.771%0.70679%0.789SS**  cis-174.7148.4-22.654.90000113.3
538S30.8Very low34.7Very low108 Ų108135.8 Ų135.876%0.75579%0.793SS**  trans53.5130.314463.80000124.4
539S33.9Very low34.6Very low115 Ų115133.4 Ų133.480%0.80479%0.792SS**  -168.1124126.130.40000114.7
540E32.1Very low34.7Very low203 Ų203133.8 Ų133.895%0.94979%0.794SS**  trans52.7159.8145.5-49.7-164.7147.700124.1
541G31.2Very low33.9Very low70 Ų70133.7 Ų133.772%0.72280%0.797SS**  trans-143.4-138.2178.500000109.9
542P47.8Very low34Very low112 Ų112133.6 Ų133.673%0.72780%0.796SS**  cis-139.6-167.2-1739.7-19.5000114.1
543K31.6Very low34.2Very low190 Ų190129 Ų12983%0.82679%0.791SS**  trans73.8133.6170.2-55.9166.2-175.7174.40115.8
544L35.6Very low34.2Very low153 Ų153128.7 Ų128.780%0.80179%0.789SS**  cis8511617.2-159.7145.9000116.6
545F30.7Very low32.7Very low191 Ų191128.5 Ų128.584%0.83879%0.79SS**  trans-147.6147.3163.8-106-77.9000111.3
546Q32.9Very low31.7Very low171 Ų171128.2 Ų128.280%0.79980%0.797SS**  trans-150.9149.4-179.8-178.4-173.123.500107
547W29.4Very low31.6Very low229 Ų229127.2 Ų127.287%0.86780%0.796SS**  trans-130.1134.8178.1-108.159.3000114.1
548S31.4Very low31.3Very low120 Ų120128.9 Ų128.984%0.83980%0.802SS**  trans-156.6147.8162.6-77.50000106.6
549G26Very low31.1Very low71 Ų71129.1 Ų129.173%0.73280%0.802SS**  trans-161.5148.5-178.300000111.4
550S32.7Very low30.9Very low115 Ų115135.6 Ų135.680%0.80481%0.809SS**  trans-143.6146.3-168.3-60.10000112.5
551S31.6Very low30.7Very low120 Ų120130.3 Ų130.384%0.83980%0.8SS**  trans57.1123.2151.3-55.90000120.4
552A29.6Very low30.9Very low89 Ų89131.4 Ų131.474%0.73680%0.803SS**  173.7143.394.700000116.2
553S29.5Very low30.1Very low114 Ų114136.1 Ų136.180%0.79781%0.812SS**  trans81.6149.7141.578.80000124
554S29.1Very low30.3Very low105 Ų105133 Ų13373%0.73481%0.809SS**  trans90.598.8155.171.40000122.6
555S27.5Very low30.8Very low110 Ų110132.1 Ų132.177%0.76981%0.812SS**  57120.712960.70000125.1
556A28.8Very low31.1Very low111 Ų111128.9 Ų128.992%0.91781%0.813SS**  trans69.4146.8134.200000121.8
557G26.9Very low31Very low74 Ų74123.9 Ų123.976%0.76381%0.807SS**  trans142.376.6159.300000119.8
558V28.8Very low31.3Very low135 Ų135120.8 Ų120.882%0.81881%0.807SS**  trans15.3119.4144.8-178.80000121.1
559C26.6Very low31.4Very low113 Ų113122.7 Ų122.776%0.76481%0.807SS**  trans36.8149.8138.2-53.70000125
560R28.4Very low31.8Very low251 Ų251123.4 Ų123.495%0.94781%0.806SS**  trans89.6156.6165.7-62.2179171.2169.9-2.1115.9
561A29.2Very low31.7Very low93 Ų93125.2 Ų125.277%0.76981%0.806SS**  cis-169.7158.8-31.700000108.3
562A34Very low31.9Very low93 Ų93128.4 Ų128.477%0.76981%0.807SS**  trans-34.8148-17700000119.4
563K31Very low32.2Very low211 Ų211131.1 Ų131.192%0.91781%0.805SS**  -164.2142.2125.7-104.8156.1-172.4179.70113.1
564T36Very low32.3Very low125 Ų125135.2 Ų135.277%0.76781%0.809SS**  trans-83.7168.5158.646.50000110
565P46.8Very low32.4Very low134 Ų134138 Ų13887%0.8781%0.809SS**  -133.8-177.910938.8-30.7000113.4
566S35.9Very low32.5Very low123 Ų123143 Ų14386%0.8681%0.813SS**  trans-141141.4-167.254.40000113.9
567G31.5Very low32.4Very low65 Ų65147.1 Ų147.167%0.6781%0.81SS**  trans-178.9128.3167.300000108
568L35.8Very low32.5Very low165 Ų165154 Ų15486%0.86481%0.813SS**  59118.163.6-60.7178.5000110.8
569L34.6Very low32.4Very low159 Ų159156.3 Ų156.383%0.83282%0.815SS**  cis-142.3-167.66.8-101169.1000108.7
570A33.5Very low32.4Very low87 Ų87156.2 Ų156.272%0.71981%0.811SS**  cis-146.1-97.618.700000115.1
571L31.5Very low32.4Very low152 Ų152149.8 Ų149.880%0.79681%0.805SS**  trans-156.8135.3-157-94.8161000112
572Q35.1Very low32.1Very low188 Ų188151.3 Ų151.388%0.87981%0.81SS**  -157.3142.2124.9-157.31658.300109.9
573Q36.6Very low31.8Very low145 Ų145151 Ų15168%0.67881%0.807SS**  trans-107.4151.4177.7-62.2170.9-35.200109.8
574F29.9Very low31.6Very low201 Ų201148 Ų14888%0.88280%0.801SS**  trans-157.1169.5135.7-111.8-70.5000111.4
575H32.5Very low31.3Very low162 Ų162150.1 Ų150.175%0.7580%0.802SS**  trans-101.2151.2-154.3-87.8-108.2000116.1
576Y28.2Very low30.2Very low217 Ų217149.4 Ų149.485%0.85180%0.795SS**  trans-52.4144.5160.5-121.5-87.9000112.6
577K27.6Very low29.7Very low197 Ų197149.2 Ų149.286%0.85779%0.789SS**  trans-144.7152.3146.5-127.7178.3-177.5-175.20112
578R29.6Very low29.4Very low217 Ų217151.2 Ų151.282%0.81979%0.792SS**  trans-120.4140.6177.8168.6-162-68.9162.1-4.2106.4
579E26.4Very low29Very low184 Ų184151.2 Ų151.286%0.8679%0.787SS**  trans-112148.9170-59.4-151.3145.500112
580T26.4Very low28.6Very low112 Ų112150.8 Ų150.869%0.68779%0.785SS**  trans-161.8136.8176.2-49.80000108.5
581S27.8Very low28.3Very low115 Ų115151.1 Ų151.180%0.80478%0.782SS**  trans55.7120.6161.860.10000120.6
582S24Very low28.1Very low126 Ų126148.1 Ų148.188%0.88178%0.779SS**  -156.2170.1118-160.90000110.6
583A26.9Very low27.8Very low86 Ų86146.2 Ų146.271%0.71178%0.775SS**  trans-148164.5-178.600000111.7
584L26.9Very low27.6Very low149 Ų149143.4 Ų143.478%0.7877%0.772SS**  trans162.6127.1159.8-86.2155.9000105.9
585Q28.8Very low27.5Very low168 Ų168139.2 Ų139.279%0.78577%0.767SS**  59.713176.4-63.1-172.9-19.600112.9
586T25.6Very low27.3Very low119 Ų119136.7 Ų136.773%0.7377%0.768SS**  cis-162.2159.218.8-15.40000114.4
587T24.6Very low28.3Very low119 Ų119131.6 Ų131.673%0.7376%0.761SS**  trans54.9117.1149.245.60000125.3
588C24.9Very low28.4Very low108 Ų108128.9 Ų128.973%0.7375%0.752SS**  70.7114.1117.5-60.30000126
589Q26.7Very low28.4Very low164 Ų164127.4 Ų127.477%0.76675%0.746SS**  80140.3119.1-81-167.5-2.200125.1
590L27.5Very low28.7Very low150 Ų150126.1 Ų126.179%0.78574%0.738SS**  trans68151.9155-64.2163.7000118.6
591S26.9Very low28.8Very low94 Ų94126.5 Ų126.566%0.65774%0.74SS**  cis-177.3152.9-27.351.70000110.9
592A28.1Very low29Very low90 Ų90126.4 Ų126.474%0.74473%0.727SS**  trans66.6162.116800000115.5
593D27.1Very low29.4Very low147 Ų147126.2 Ų126.279%0.78672%0.716SS**  cis-168.1171.1-16.5-117.843.3000108
594S32.2Very low29.6Very low87 Ų87128.6 Ų128.661%0.60871%0.712SS**  cis-171.8-148.2-35.3630000108.6
595S28.2Very low29.7Very low113 Ų113128.8 Ų128.879%0.7971%0.714SS**  trans70.7148.3-18089.20000115.5
596S29.6Very low30.9Very low109 Ų109126 Ų12676%0.76271%0.71SS**  cis-153.8-173.65.270.60000110.6
597P49.3Very low32.4Very low109 Ų109125.5 Ų125.571%0.70871%0.709SS**  -140.1-173-109.234.3-9000118.9
598E29.6Very low33.3Very low141 Ų141125 Ų12566%0.65971%0.708SS**  trans79.7146.3158-52-143.598.400119.8
599R29.6Very low33.4Very low186 Ų186126.6 Ų126.670%0.70271%0.709SS**  cis-154.3142.9-3.4-146178.7-93.9175.10.2113
600K30.9Very low33.3Very low157 Ų157124 Ų12468%0.68371%0.709SS**  trans21156.1147.4-58.3175.9173.8-92.60121.4E602K600-E602 WeakPolarHBondContact CD-OE1 3.41Å; K600-E602 WeakPolarHBondContact CE-OE1 3.21Å; K600-E602 WeakPolarHBondContact CG-OE1 3.16Å; K600-E602 IonicContact NZ-OE1 2.57Å; K600-E602 PolarHBondContact NZ-OE1 3.44Å
601T28.8Very low34.6Very low119 Ų119122.3 Ų122.373%0.7371%0.707SS**  cis-135.1133.221.939.80000111.4
602E33.4Very low35.2Very low114 Ų114123.9 Ų123.953%0.53372%0.715SS.*  80.5139.766.7-71.9171.4-153.600114.6K600K600-E602 WeakPolarHBondContact CD-OE1 3.41Å; K600-E602 WeakPolarHBondContact CE-OE1 3.21Å; K600-E602 WeakPolarHBondContact CG-OE1 3.16Å; K600-E602 IonicContact NZ-OE1 2.57Å; K600-E602 PolarHBondContact NZ-OE1 3.44Å
603N32.7Very low35.1Very low122 Ų122124 Ų12465%0.65271%0.711SS**  cis-171.1-177.6-11.1-111.99.9000109.3
604E29.1Very low35.2Very low135 Ų135124.9 Ų124.963%0.63171%0.71SS**  cis-153.8171.45.1-124-35.6137.900108.5
605D30.2Very low34.9Very low153 Ų153126.8 Ų126.882%0.81871%0.714SS**  trans-112-108.5-176.1-64.2-75.4000116.4
606P53.5Low35.1Very low109 Ų109127 Ų12771%0.70872%0.715SS**  -108.3-90.9-87.220.9-8.7000123.5
607P56.7Low35.1Very low110 Ų110126 Ų12671%0.71471%0.713SS**  -120.5-167.2-122.639.3-22.2000115.1
608P44.2Very low34.1Very low108 Ų108130.4 Ų130.470%0.70172%0.717SS**  cis-144.7177.28.646.2-26.6000120
609D26.4Very low34Very low142 Ų142131.6 Ų131.676%0.75972%0.72SS**  trans38.8126.8143.1-78.6-63.2000127.7
610S25.6Very low34Very low109 Ų109126.7 Ų126.776%0.76272%0.715SS**  trans72.8-130.9132.1-59.90000121.8
611P54.4Low33.7Very low115 Ų115127.1 Ų127.175%0.74772%0.719SS**  -114.3-179.5-123.435.9-19.1000116
612P38.5Very low33.6Very low126 Ų126126.4 Ų126.482%0.81872%0.719SS**  cis-134.5-84.412.936.3-13000119.4
613S27.5Very low33.4Very low94 Ų94129.5 Ų129.566%0.65774%0.738SS**  trans-167160.9-149.160.70000117.6
614Q29Very low33.1Very low164 Ų164128.9 Ų128.977%0.76674%0.743SS**  trans73.4126.2155.4-74.3-164.9-66.300123.3
615D26.1Very low32.9Very low128 Ų128128.8 Ų128.868%0.68475%0.752SS**  60.4156.7128.3-59.2-36.1000124.4
616S32.8Very low32.6Very low116 Ų116126 Ų12681%0.81174%0.744SS**  trans70.1110.5-174.469.20000114.9
617A28.1Very low31.2Very low88 Ų88130 Ų13073%0.72775%0.751SS**  cis72.5118.348.600000114
618Y29.3Very low29.7Very low202 Ų202133.6 Ų133.679%0.79276%0.758SS**  -167.7157.5119.1-118.2-116.6000110.9
619F27.4Very low28.9Very low167 Ų167135.7 Ų135.773%0.73276%0.756SS**  trans13.5148.7144.6-79.7-119.2000120.9
620S28.4Very low29.1Very low83 Ų83135 Ų13558%0.5875%0.748SS**  cis-174.2170.9-9.5-117.20000112.1
621Q25.4Very low29Very low165 Ų165138.6 Ų138.677%0.77175%0.753SS**  trans51.9100.8148.5-67.5175.923.700120.2
622S27.5Very low27.8Very low104 Ų104138 Ų13873%0.72775%0.748SS**  27.1117.5121.158.80000120.1
623L27.9Very low27.4Very low179 Ų179139.8 Ų139.894%0.93775%0.749SS**  trans-122.7145.4144-93.4168.9000109.4
624S26.3Very low27.9Very low109 Ų109140 Ų14076%0.76275%0.748SS**  trans-141.3101-170.958.40000112.4
625T24.9Very low27.8Very low133 Ų133142.2 Ų142.282%0.81676%0.756SS**  trans-157.3161.5173.139.10000109.9
626S24.3Very low27.7Very low94 Ų94140.8 Ų140.866%0.65776%0.756SS**  cis-172.6129.2-48.845.90000110.3
627F25.2Very low27.2Very low193 Ų193141.6 Ų141.685%0.84676%0.76SS**  trans39.9121.9156.4-64.2-70.8000122.6
628H25.5Very low26.9Very low186 Ų186143 Ų14386%0.86176%0.764SS**  -170.6134.3129.7-101.4-76.6000106
629K27.3Very low26.7Very low152 Ų152142.1 Ų142.166%0.66177%0.765SS**  cis66.3124.121.8-113.1-161.8177-125.90113.8
630E29.5Very low26.5Very low127 Ų127140 Ų14059%0.59377%0.771SS**  cis-153.1160.56.7-154.2147.6-150.600108.3V632E630-V632 HydrophobicContact CG-CG2 3.84Å
631E24.5Very low26.4Very low185 Ų185140.2 Ų140.286%0.86477%0.772SS**  -178150.790.2-78.4-177.8157.300107.5
632V29.6Very low26.5Very low104 Ų104141.8 Ų141.863%0.6378%0.78SS**  cis92.4108.920.2-178.10000115.2E630E630-V632 HydrophobicContact CG-CG2 3.84Å
633L28.8Very low26.4Very low162 Ų162145.5 Ų145.585%0.84879%0.785SS**  -178.2164.4122.3-90.2-175.3000110.5
634P39.1Very low26.4Very low99 Ų99144.9 Ų144.964%0.64378%0.778SS**  trans-130.9-170.2-140.546.2-33.2000115.4
635F25.5Very low26.3Very low210 Ų210145.3 Ų145.392%0.92178%0.776SS**  trans-138.7153.8145.7-120.8-84.4000111.4
636S23.9Very low26.4Very low98 Ų98147 Ų14769%0.68577%0.774SS**  trans-149.6152.3-175.257.70000112.1
637C22Very low26.6Very low133 Ų133150.6 Ų150.690%0.89978%0.783SS**  trans-166.1149.9149.6-105.40000110.5
638S22.7Very low26.7Very low118 Ų118148.3 Ų148.383%0.82578%0.78SS**  trans-146.5152.6-178.6-64.30000111
639F25Very low26.8Very low184 Ų184144.6 Ų144.681%0.80778%0.775SS**  trans75.4118.1148.5-143-91.5000119.7
640S23.5Very low26.9Very low121 Ų121142.3 Ų142.385%0.84678%0.778SS**  -155.5162.3126.557.30000109.8
641S26.8Very low26.8Very low88 Ų88141.7 Ų141.762%0.61578%0.783SS**  trans-149.1140.1-172.155.50000110.2
642Q26.6Very low27Very low198 Ų198139.7 Ų139.793%0.92578%0.778SS**  trans-153.5149.6172.2-118.3167-1100112
643E25.9Very low27Very low182 Ų182140.4 Ų140.485%0.8579%0.788SS**  trans-105.3-162.3173.4-63-178.510300110.1
644E27.5Very low27.1Very low167 Ų167140.2 Ų140.278%0.7878%0.783SS**  trans9797.3164.9-62.1-78.3157.200119.5
645T25.1Very low27.4Very low118 Ų118140.9 Ų140.972%0.72479%0.787SS**  86.4163.4112.9-56.90000121.2
646E27Very low27.8Very low167 Ų167136.3 Ų136.378%0.7878%0.776SS**  trans-81.8157.1-155.9-46.3171.7136.600116.4
647M27.7Very low28.3Very low170 Ų170137.1 Ų137.184%0.83778%0.777SS**  -179.3175.4123.4-103.8-65.618000115.3
648N27.3Very low28.5Very low145 Ų145139.6 Ų139.678%0.77578%0.775SS**  trans-113150-167.4-55.5-89.4000115.3
649S28.3Very low29Very low108 Ų108139.2 Ų139.276%0.75577%0.772SS**  trans-177.6137.2150.340.60000108.8
650S28Very low30.2Very low105 Ų105136 Ų13673%0.73477%0.77SS**  63.8128.352.275.30000113.1
651T28.8Very low30.8Very low114 Ų114134.4 Ų134.470%0.69976%0.764SS**  cis-163.8161.419.2-14.60000110.6
652D27.5Very low31Very low143 Ų143135 Ų13577%0.76577%0.769SS**  trans43.9147.2153.9-53.5-22.8000121.3
653S30.8Very low31.3Very low119 Ų119133.9 Ų133.983%0.83276%0.761SS**  cis-155.9156.638.9-500000114.4
654E29.6Very low31.5Very low158 Ų158131 Ų13174%0.73876%0.756SS**  trans-93166172.1-107.3-80.7141.900111.5V656E654-V656 PolarHBondContact OE2-N 3.13Å
655P46.3Very low31.7Very low113 Ų113130.1 Ų130.173%0.73475%0.752SS**  -157.4128.995.437.6-15.7000119.5
656V34Very low31.8Very low113 Ų113130.1 Ų130.169%0.68575%0.752SS**  65.4135.8113.6165.80000118.4E654E654-V656 PolarHBondContact OE2-N 3.13Å
657T33.3Very low31.9Very low115 Ų115127.2 Ų127.271%0.70675%0.749SS**  cis-158.1-177.91.117.40000109.1
658E28Very low31.9Very low186 Ų186130.5 Ų130.587%0.86975%0.752SS**  cis-142.8-178.135.1-70.8-173.9132.500114.5
659S32.8Very low32.2Very low109 Ų109133 Ų13376%0.76276%0.756SS**  trans-128.3-153.8-165.3-34.40000111.4
660P49.2Very low32.9Very low117 Ų117134 Ų13476%0.7676%0.759SS**  cis-114.7154.5-4.111.115.7000114.6
661A35.6Very low33Very low87 Ų87132.4 Ų132.472%0.71976%0.76SS**  70.3143.678.700000114.9F663A661-F663 HydrophobicContact CB-CE2 4.49Å
662S32.2Very low33.5Very low102 Ų102135.9 Ų135.971%0.71377%0.771SS**  cis-154.3136.338.856.90000114.7
663F32.3Very low33.7Very low174 Ų174137.3 Ų137.376%0.76378%0.777SS**  63.3149.1104.6-67.4-74.3000118.5A661A661-F663 HydrophobicContact CB-CE2 4.49Å
664T29.8Very low33.7Very low120 Ų120134.9 Ų134.974%0.73677%0.771SS**  cis-134.2143.612.144.30000111.3
665E31.5Very low33.9Very low150 Ų150132.8 Ų132.870%0.70177%0.774SS**  58.7147.877.8-67-145.9132.700116.4
666T28.8Very low33.3Very low118 Ų118136.9 Ų136.972%0.72478%0.78SS**  cis-165.6-160.9-627.60000108.1
667C27.5Very low33.3Very low106 Ų106137.7 Ų137.772%0.71679%0.785SS**  -160.1164.7-78.6-164.30000111.3
668R28Very low33.3Very low238 Ų238138 Ų13890%0.89879%0.792SS**  trans81.8168.9159.7-53.4-166.2176.1-174.1-2122.1
669K34Very low33.3Very low198 Ų198132.5 Ų132.586%0.86179%0.785SS**  trans-125.4154.7-166-83.1-174-179.21790113.1
670P43.7Very low33.3Very low128 Ų128135.8 Ų135.883%0.83179%0.793SS**  trans-100.3179.1130.837-30.9000110.7
671G28.5Very low32.5Very low72 Ų72135.6 Ų135.674%0.74280%0.795SS**  cis171.6177.8-100000108.9
672M39.1Very low32.5Very low188 Ų188140.8 Ų140.893%0.92680%0.801SS**  trans-148.1143.4174.2-103.7-162.377.500115.5
673L33.4Very low33.1Very low172 Ų172141.9 Ų141.990%0.90181%0.806SS**  trans-156.6175.8166.4-96174.2000107.3
674G30.5Very low33.3Very low69 Ų69143.5 Ų143.571%0.71181%0.813SS**  cis-166-143.17.300000112
675S34.1Very low33.8Very low114 Ų114143.3 Ų143.380%0.79782%0.817SS**  trans-131136.6-161.657.10000118.1
676K33.7Very low33.8Very low198 Ų198141.5 Ų141.586%0.86182%0.821SS**  trans51.6111.1139.1-70.1-174.9175178.80124
677V32.7Very low34.1Very low131 Ų131142.8 Ų142.879%0.79482%0.82SS**  56.2126.9129.5-156.40000122.7
678S33.9Very low34.4Very low121 Ų121147.2 Ų147.285%0.84682%0.822SS**  151.5148.9126-67.40000117.1
679G28.5Very low34.8Very low71 Ų71141.5 Ų141.573%0.73281%0.809SS**  trans98.4131.8166.700000116
680L32.7Very low34.9Very low177 Ų177140.1 Ų140.193%0.92781%0.806SS**  cis76133.536.1-65.2173.6000114.6
681S31.3Very low34.4Very low114 Ų114137.8 Ų137.880%0.79780%0.797SS**  cis-156.5-176.2-0.160.40000113.4
682K36.3Very low34.5Very low195 Ų195140.5 Ų140.585%0.84880%0.799SS**  trans-102.7158.5-172.1-69-177.2178.7178.20115.4
683P45.1Very low34.1Very low126 Ų126138.6 Ų138.682%0.81879%0.792SS**  trans-66.7-168.8151.7-19.835.2000114.4
684K36Very low33.8Very low207 Ų207138.3 Ų138.390%0.979%0.789SS**  trans-116.8-166.3-171.6-68-176-179.3174.20114.8
685S39.4Very low33.8Very low117 Ų117139.2 Ų139.282%0.81878%0.784SS**  trans-161.9159.1-146.2540000114.7
686S31.8Very low33.7Very low112 Ų112139.5 Ų139.578%0.78378%0.781SS**  trans-142.1109.7170.3-146.90000110.7
687M36.2Very low33.5Very low145 Ų145138.1 Ų138.171%0.71478%0.782SS**  97.7138.479-78.2-88.489.600112.3
688R34.2Very low33.4Very low199 Ų199135 Ų13575%0.75178%0.777SS**  cis-166.5129.61.1-178.5176.7-171.9173.32.2113.1
689N36.2Very low34.4Very low117 Ų117135.8 Ų135.863%0.62678%0.779SS**  trans62.4173.4157.2-64.428.3000117
690Q36.6Very low34.5Very low170 Ų170137.3 Ų137.379%0.79479%0.785SS**  cis-168.2173.7-24.5-102.9176.1-82.900107
691A31.9Very low34.8Very low79 Ų79140.7 Ų140.765%0.65379%0.785SS**  cis-175.7177.4-36.900000111
692V30Very low35.1Very low129 Ų129139.4 Ų139.478%0.78278%0.781SS**  trans79.9107.3164.8-171.30000120.6
693N31.6Very low35.2Very low147 Ų147136.3 Ų136.379%0.78678%0.784SS**  trans48141.3141-61.9-4.1000126.7
694M28.1Very low34.7Very low167 Ų167133 Ų13382%0.82377%0.773SS**  trans87.3107.8141.7-81.4-73.8154.200123.4
695S29.6Very low34.7Very low88 Ų88129.9 Ų129.962%0.61577%0.765SS**  72122.5126.2700000124.8
696T31.4Very low34.8Very low120 Ų120134.6 Ų134.674%0.73677%0.765SS**  trans75.8143.3134.340.30000125
697L30.6Very low35.1Very low168 Ų168138.4 Ų138.488%0.8877%0.768SS**  trans75.6129.4143.1-75.3163.5000122.6
698G29.6Very low35.1Very low67 Ų67140.1 Ų140.169%0.69177%0.771SS**  104.2120.9121.300000119.1
699P54.2Low35.3Very low137 Ų137137 Ų13789%0.8977%0.774SS**  trans-92.6152.9168.236-32.8000113.1
700A32.6Very low35.2Very low102 Ų102136 Ų13684%0.84378%0.783SS**  trans-125.3161.2-179.600000113.9
701R38Very low34.8Very low249 Ų249131.5 Ų131.594%0.9478%0.782SS**  trans-112.4-175.1178.1-51.8159.980.5-175.16.7107.7
702A37.8Very low34.9Very low87 Ų87134.3 Ų134.372%0.71980%0.796SS**  cis-167.4177.110.200000110.9
703S38.5Very low34.8Very low129 Ų129131.7 Ų131.790%0.90280%0.795SS**  trans72.5153.7153.3-145.60000118.3
704G34.1Very low34.8Very low57 Ų57134.8 Ų134.859%0.58880%0.802SS**  cis165.2-169-6.300000113.5
705L36.5Very low34.9Very low141 Ų141136.4 Ų136.474%0.73880%0.804SS**  trans78.8147.4172.6-53.8152.3000116.2
706R40.4Very low34.8Very low217 Ų217138 Ų13882%0.81981%0.814SS**  cis-145.8-1601.5-118.8166.7-64.8-137.23.2108.7
707K38Very low34.7Very low191 Ų191138.3 Ų138.383%0.8382%0.821SS**  cis-148.9-131.115.1-162.5-167175.4-177.50111.2
708K38.3Very low34.7Very low182 Ų182136 Ų13679%0.79182%0.819SS**  trans-155.5176.5178-64.8-168.4178.2-177.70108.9
709T36.5Very low34.9Very low133 Ų133137.6 Ų137.682%0.81683%0.826SS**  cis-162.1175.623.7-30.30000112.5
710A34.3Very low34.1Very low97 Ų97138.8 Ų138.880%0.80282%0.824SS**  trans-86.3-179.3167.800000113
711G29.4Very low34.5Very low75 Ų75141.5 Ų141.577%0.77383%0.825SS**  cis140.5140.3-5.900000113.8
712S32.7Very low34.7Very low137 Ų137139 Ų13996%0.95882%0.824SS**  trans-179.2150.3166.8-173.20000113.3
713G28.3Very low35Very low74 Ų74141.3 Ų141.376%0.76382%0.824SS**  trans149129.7166.100000116.8
714K32.4Very low35.2Very low212 Ų212141.4 Ų141.492%0.92282%0.815SS**  trans-106.1159.9171.3-68.4178.6179176.40109
715K29.3Very low35.7Very low202 Ų202143.9 Ų143.988%0.87882%0.82SS**  -164.9175.151.1-147.2175.8-176.9-176.90112.1
716C28.2Very low36.3Very low122 Ų122140.6 Ų140.682%0.82482%0.821SS**  trans-52.1148.3-164.5-46.80000120.6
717S28.2Very low36.9Very low126 Ų126136.6 Ų136.688%0.88182%0.82SS**  -155.4172.2116.460.60000110.1
718S32.2Very low37.4Very low119 Ų119134.5 Ų134.583%0.83281%0.813SS**  trans-119.1138-16055.80000115.8
719A33.2Very low38.2Very low100 Ų100129.1 Ų129.183%0.82680%0.802SS**  trans-151.8141155.700000110.2
720N37.4Very low39.6Very low162 Ų162127.1 Ų127.187%0.86679%0.79SS**  trans-77141176.6-73.8-18.2000111.1
721N40.7Very low40.6Very low160 Ų160128.6 Ų128.686%0.85678%0.783SS**  trans-156.9119.2160.1-121.5-39.6000111.1N723N721-N723 PolarHBondContact O-N 2.9Å
722E41.7Very low41.5Very low196 Ų196129.2 Ų129.292%0.91678%0.776SS**  trans-82.974.9-175.4-66-172.5119.200111.9
723N45.8Very low42.5Very low135 Ų135125 Ų12572%0.72275%0.746SS**  trans-143.974.1171.4-122.6-38.4000111.5N721N721-N723 PolarHBondContact O-N 2.9Å
724N41.3Very low43.7Very low132 Ų132126 Ų12671%0.70673%0.734SS**  trans-102.2113.6-177.1-159.9-12.6000109.9G726N724-G726 PolarHBondContact O-N 3.02Å
725P46.1Very low44.5Very low109 Ų109125.7 Ų125.771%0.70873%0.727SS**G310 helixtrans-70.1-2.2-16726.9-35.6000115.3V727P725-V727 VanDerWaalsContact C-N 3.28Å; P725-V727 PolarHBondContact O-N 2.9Å
726G47.6Very low45.4Very low72 Ų72123.9 Ų123.974%0.74272%0.719SS**G310 helixtrans-73.6-6.7178.400000116.1N724N724-G726 PolarHBondContact O-N 3.02Å
727V52.7Low46.4Very low133 Ų133124.8 Ų124.881%0.80672%0.716SS**G310 helixtrans-123.513.1-172.7-150.90000113.5P725 A729P725-V727 VanDerWaalsContact C-N 3.28Å; P725-V727 PolarHBondContact O-N 2.9Å; V727-A729 PolarHBondContact O-N 3.28Å
728Q49.3Very low47.2Very low146 Ų146127.8 Ų127.868%0.68271%0.713SS**  trans-87.2106.4172.7-71.5-170.6-3.700111.2T730Q728-T730 PolarHBondContact O-N 2.98Å; Q728-T730 VanDerWaalsContact O-N 3.12Å
729A55.1Low47.5Very low69 Ų69126.3 Ų126.357%0.5770%0.703SS**  trans-65.4109.2172.900000110.5V727V727-A729 PolarHBondContact O-N 3.28Å
730T65.2Low47.8Very low91 Ų91131.9 Ų131.956%0.55870%0.704SS**  trans-60.9145.6175.439.70000111.4Q728 S732 S733 L734Q728-T730 PolarHBondContact O-N 2.98Å; Q728-T730 VanDerWaalsContact O-N 3.12Å; T730-S732 PolarHBondContact O-N 3.32Å; T730-S733 WeakPolarHBondContact O-CB 3.37Å; T730-S733 PolarHBondContact O-N 3.16Å; T730-S733 PolarHBondContact O-OG 3.31Å; T730-L734 PolarHBondContact O-N 3.42Å
731I55.8Low48Very low128 Ų128132.7 Ų132.766%0.65670%0.7SS**Hα-helixtrans-56-33.6-175.9-61.7172.6000111.8S733 L734 W735I731-S733 VanDerWaalsContact C-N 3.3Å; I731-S733 PolarHBondContact O-N 3.32Å; I731-L734 PolarHBondContact O-N 3.43Å; I731-W735 PolarHBondContact O-N 3.12Å
732S48.2Very low48.1Very low88 Ų88133.1 Ų133.162%0.61569%0.694SS**Hα-helixtrans-64.7-24174.647.40000114.8T730T730-S732 PolarHBondContact O-N 3.32Å
733S53.6Low47.9Very low48 Ų48131.8 Ų131.834%0.33669%0.688SS.*Hα-helixtrans-78.4-37.8173.676.90000111.9T730 I731 W735 K736T730-S733 WeakPolarHBondContact O-CB 3.37Å; T730-S733 PolarHBondContact O-N 3.16Å; T730-S733 PolarHBondContact O-OG 3.31Å; I731-S733 VanDerWaalsContact C-N 3.3Å; I731-S733 PolarHBondContact O-N 3.32Å; S733-W735 VanDerWaalsContact C-N 3.31Å; S733-W735 PolarHBondContact O-N 2.95Å; S733-K736 WeakPolarHBondContact O-CB 3.2Å; S733-K736 PolarHBondContact O-N 3.21Å
734L54.7Low47.7Very low97 Ų97130.7 Ų130.751%0.50869%0.686SS.*Hα-helixtrans-61.8-38.6173.6-69.9168.8000111.9T730 I731 K736 N737T730-L734 PolarHBondContact O-N 3.42Å; I731-L734 PolarHBondContact O-N 3.43Å; L734-K736 VanDerWaalsContact C-N 3.34Å; L734-K736 PolarHBondContact O-N 3.36Å; L734-N737 PolarHBondContact O-N 2.97Å
735W48.8Very low47.4Very low204 Ų204130.3 Ų130.377%0.77369%0.688SS**Hα-helixtrans-68.1-28.6177.5-8157.7000113.6I731 S733 N737 F738I731-W735 PolarHBondContact O-N 3.12Å; S733-W735 VanDerWaalsContact C-N 3.31Å; S733-W735 PolarHBondContact O-N 2.95Å; W735-N737 VanDerWaalsContact C-N 3.27Å; W735-N737 PolarHBondContact O-N 2.75Å; W735-F738 PolarHBondContact O-N 3.01Å
736K48.8Very low46.9Very low164 Ų164134.7 Ų134.771%0.71370%0.696SS**Hα-helixtrans-60.9-38.2173.2-104.7-176174.6-176.50112S733 L734 F738 S739S733-K736 WeakPolarHBondContact O-CB 3.2Å; S733-K736 PolarHBondContact O-N 3.21Å; L734-K736 VanDerWaalsContact C-N 3.34Å; L734-K736 PolarHBondContact O-N 3.36Å; K736-F738 VanDerWaalsContact C-N 3.31Å; K736-F738 PolarHBondContact O-N 2.92Å; K736-S739 PolarHBondContact O-OG 3.15Å
737N47.8Very low46.4Very low141 Ų141137 Ų13775%0.75470%0.696SS**Hα-helixtrans-77.3-14-177.6-66.8-3.7000113.5L734 W735 S739L734-N737 PolarHBondContact O-N 2.97Å; W735-N737 VanDerWaalsContact C-N 3.27Å; W735-N737 PolarHBondContact O-N 2.75Å; N737-S739 VanDerWaalsContact C-N 3.31Å; N737-S739 PolarHBondContact O-N 3.15Å
738F44.7Very low45.4Very low190 Ų190135.5 Ų135.583%0.83369%0.691SS**THydrogen-bonded Turntrans-93.323.8174.8-93.4-86.2000113.9W735 K736 Y740W735-F738 PolarHBondContact O-N 3.01Å; K736-F738 VanDerWaalsContact C-N 3.31Å; K736-F738 PolarHBondContact O-N 2.92Å; F738-Y740 PolarHBondContact O-N 3.22Å; F738-Y740 VanDerWaalsContact O-N 3.13Å
739S38.3Very low44.8Very low88 Ų88134.1 Ų134.162%0.61570%0.698SS**  trans-71.5101.2173.7-60.80000111.1K736 N737 K741K736-S739 PolarHBondContact O-OG 3.15Å; N737-S739 VanDerWaalsContact C-N 3.31Å; N737-S739 PolarHBondContact O-N 3.15Å; S739-K741 PolarHBondContact O-N 3.3Å
740Y41.1Very low43.8Very low216 Ų216136.1 Ų136.185%0.84771%0.707SS**  trans-62.9102.6179.3-167.9-88.8000111.3F738 K742F738-Y740 PolarHBondContact O-N 3.22Å; F738-Y740 VanDerWaalsContact O-N 3.13Å; Y740-K742 PolarHBondContact O-N 3.03Å
741K41.8Very low42.6Very low179 Ų179141.5 Ų141.578%0.77872%0.723SS**  trans-66.899.6173.4-77.5-173.3177.2-1790109.8S739 E743S739-K741 PolarHBondContact O-N 3.3Å; K741-E743 PolarHBondContact O-N 2.97Å
742K41.8Very low41.7Very low170 Ų170145.2 Ų145.274%0.73973%0.734SS**  trans-75.589.9168.9-172.9179.6-177.91800109.2Y740 T744Y740-K742 PolarHBondContact O-N 3.03Å; K742-T744 PolarHBondContact O-N 2.88Å
743E37.8Very low41.2Very low167 Ų167144.3 Ų144.378%0.7874%0.739SS**  trans-66.999.4173.3-67.9-168.816500110.4K741 V745K741-E743 PolarHBondContact O-N 2.97Å; E743-V745 PolarHBondContact O-N 2.95Å; E743-V745 VanDerWaalsContact O-N 3.15Å
744T40.4Very low40.5Very low112 Ų112150.6 Ų150.669%0.68776%0.763SS**  trans-77.194.4168.651.80000108.7K742 K746K742-T744 PolarHBondContact O-N 2.88Å; T744-K746 PolarHBondContact O-N 2.94Å
745V36.5Very low40.1Very low124 Ų124152 Ų15275%0.75278%0.778SS**  trans-56.5108165.3177.20000107.6E743 V747E743-V745 PolarHBondContact O-N 2.95Å; E743-V745 VanDerWaalsContact O-N 3.15Å; V745-V747 VanDerWaalsContact C-N 3.26Å; V745-V747 HydrophobicContact CG1-CG2 4.27Å; V745-V747 PolarHBondContact O-N 3.18Å
746K34.6Very low39.5Very low202 Ų202151 Ų15188%0.87878%0.784SS**  trans-82.274.4-174.1-167.1-179.9-177-176.90109.3T744 S748T744-K746 PolarHBondContact O-N 2.94Å; K746-S748 PolarHBondContact O-N 2.93Å
747V36.5Very low39.3Very low121 Ų121147.9 Ų147.973%0.73378%0.783SS**  trans-53121.7174.4-179.60000108.4V745V745-V747 VanDerWaalsContact C-N 3.26Å; V745-V747 HydrophobicContact CG1-CG2 4.27Å; V745-V747 PolarHBondContact O-N 3.18Å
748S33.6Very low39.2Very low100 Ų100146.5 Ų146.570%0.69978%0.781SS**  trans-66.6147.2176.940.70000110.3K746 S750K746-S748 PolarHBondContact O-N 2.93Å; S748-S750 PolarHBondContact O-N 2.57Å
749S35.1Very low38.7Very low118 Ų118144.3 Ų144.383%0.82578%0.783SS**  trans-70.495.1-179.253.70000110.9K751S749-K751 PolarHBondContact O-N 3.48Å
750S35.3Very low38.6Very low110 Ų110149 Ų14977%0.76979%0.793SS**  trans-50.4136.7164.7-58.70000109.9S748S748-S750 PolarHBondContact O-N 2.57Å
751K39.7Very low38.3Very low204 Ų204145.8 Ų145.889%0.88779%0.79SS**  trans-59.6143.8-179.4-70.9-178178.4179.10110.4S749 G753S749-K751 PolarHBondContact O-N 3.48Å; K751-G753 PolarHBondContact O-N 2.98Å
752K37.7Very low38.1Very low207 Ų207144.3 Ų144.390%0.979%0.79SS**  trans-63.399.1176.6-172.9-175.8-177.5-170.10109.2
753G36.5Very low37.8Very low68 Ų68144.7 Ų144.770%0.70180%0.8SS**  trans-67.2137.8169.800000110.2K751K751-G753 PolarHBondContact O-N 2.98Å
754E38.8Very low37.7Very low180 Ų180143.8 Ų143.884%0.84180%0.8SS**  trans-76.9149.3175.4-65.4-175.1128.300110.5M756E754-M756 PolarHBondContact O-N 3.2Å
755P47.6Very low37.5Very low127 Ų127146.1 Ų146.183%0.82581%0.807SS**  trans-69.9115.2179.528.5-33.3000110.2S757P755-S757 PolarHBondContact O-N 3.46Å
756M35.4Very low38.1Very low184 Ų184144.7 Ų144.791%0.90680%0.8SS**  trans-60.5106.8170.6-73.8-72.1-74.200109.5E754E754-M756 PolarHBondContact O-N 3.2Å
757S44.8Very low38.1Very low98 Ų98143.5 Ų143.569%0.68580%0.798SS**PPolyproline II helixtrans-66.2145.6172.1-173.70000109.9P755 V759P755-S757 PolarHBondContact O-N 3.46Å; S757-V759 PolarHBondContact O-N 3Å
758P45.8Very low38.2Very low111 Ų111143 Ų14372%0.72180%0.799SS**PPolyproline II helixtrans-60.1137.8177.224.4-34.7000111.3K760P758-K760 PolarHBondContact O-N 3.37Å
759V34Very low38.5Very low145 Ų145146.7 Ų146.788%0.87984%0.836SS**PPolyproline II helixtrans-62.6126174.8175.50000109S757S757-V759 PolarHBondContact O-N 3Å
760K35.2Very low38.7Very low186 Ų186148.2 Ų148.281%0.80984%0.837SS**PPolyproline II helixtrans-96.4157.5163.8-80.2-168.5171.9-169.70110.3P758P758-K760 PolarHBondContact O-N 3.37Å
761D36.3Very low38.9Very low148 Ų148150.2 Ų150.279%0.79184%0.84SS**PPolyproline II helixtrans-58.6146.9-177.8-42.3-92.7000113.1
762N35.9Very low38.8Very low148 Ų148147.2 Ų147.279%0.79184%0.838SS**  trans-156.791.9151-98.4-55.7000109.4L764N762-L764 PolarHBondContact O-N 3.39Å
763L36.8Very low38.9Very low179 Ų179143.6 Ų143.694%0.93783%0.834SS**  trans-77.2105.6162.7-79166.2000108.3
764L34.8Very low39Very low148 Ų148148.4 Ų148.478%0.77584%0.843SS**  trans-135.685.4172.2-85.3172.6000111.6N762N762-L764 PolarHBondContact O-N 3.39Å
765L37.4Very low39Very low161 Ų161146.3 Ų146.384%0.84384%0.843SS**  trans-81.6156.6134-75.7169.4000107.1
766P48.8Very low38.4Very low93 Ų93147.6 Ų147.660%0.60484%0.844SS**  cis-140.117729.443.7-27.3000116.7
767Q34.7Very low38.6Very low178 Ų178144.8 Ų144.883%0.83284%0.839SS**  trans65156.1151.2-75.21617.800117.6
768S37.9Very low38.1Very low109 Ų109148.8 Ų148.876%0.76285%0.852SS**  cis-168.1131.5-15.647.20000109.8
769A40.1Very low37.4Very low179 Ų179152.2 Ų152.2100%1.47986%0.864SS**  trans-179.1015400000108.9

Retrieved 769 of 769 residues in 1483.6 ms (Link to these results)

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