A0A5K4FC20_SCHMA Loading...

DUF676 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FC20, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,611 aa.

>A0A5K4FC20_SCHMA|A0A5K4FC20
MPLIQATLSLVVELRDFHNIDLYHRGYYQVRTHLKTGVHPSATTGSNNGKSSAFVEPPTRWERASTRFKVPEAVKASYIEPSVSVPAHTPDKACSKTLLIIYRDESARLCDVFEQRVLVQVDPINLEESLVRNDLFLCVELWFVEDPLDKPFAPEFLTKVCERQLRIHLTPSRGLHYHFTVFFDYFHLCAIELALYGALTNITSSIISWPKFSPHNTPLQTNNQLISLAQQTWHGIICSIKQPNRYHFARAIHRHLCQILLAARESMLLFWRESLPYLPSNVKPRIEPVDFQSKLDSLVQIAQSLETDDDLANQISFDVARLSSQNTVLFKQLCKSVTLQSKLAAFLRRRFHQIRMKRLAEAFFCQELSLVNLLAIYDSSVVGHESLANDVRQSVYFQNLPTLPVTCRELDGDVTNLPIIFEDIFLPHNNNNNNNNNNNNNKTKSLNSSQSINGNTNNGIYTTNTPKAKYTSMELLTHKSSPPIDDDAFTPMKSRSDDNESGIYMEEDVVGVRVVSKTAIKTKSTDLSSCDTMPVNKKESTPISNYIYPSTSSNHPSNYQLQNFSHSSPDLLTPSTSLQQIHVTTRPIFKPFLATVNNVTTPQLLVNGQSKRRFHLPSNHSRKFHYFDKSRGPNVLSHLNNNNSNVKLVGYRSIQPVEDNVTMNQYSGLSDNRRRLTESSLNIDSDINHCSYSSIGLRPIGGLAIRDMRSRSLYNLSLKSPQIKSTNLETININNSSSKSTSLSMLNISSELNDTPLLQCSTNNKDNNILNSTSFTSSTNYTNSKLSNHIKSHEVIALGTLKIPPTKPPGGCVPSEHISDETDSLLPCNHLYKTNIGSSSVSLPNIPLSCIIPRVVSEGCLTNISSVDQFSWSKSRRRVKVRNLKRNHMLAARKSYCSQLKTYTADLAYLSSCSDLRLGILENEFKTTNYHPLSINDSFTMISNASIPNSSFESKKRLTKSSTILSTNEEFILNKPSWLTSSFSNIDLVDGMQQQSMNGYSFLSHCWPNQRNTTGGRNHYRQQANSLKTCKGHLVSTTYTGGNDKRRSTITTHNHNNGNNYIYDSNDNSNYNNNGKYQRPKSLTIGNNQANRLNQQIITELHDFSTSITSCQYDQGRKVNHLNGPVSTTQATIDNCNNKQRLSTNSDSSHSSLHCNKCLPSLPAESSSALLISSVHDNRLKECGYQVSNLLSSDEELSNKNSPKLSVIEMLNTIDLDSCDDVLPKKATTINYATSKSCELSTHSLTNQKQIQKTKSLTYTSSLSSKEQNDNNRNTLNGIHLNIKKTHSLVDILSPGVIEFLRLKEHVKRQIAPHFQGYVYSDFATLAAPYPYFSEAPVFSGDVHLIVCVHGLDGNSCDLRLVRVYLQLALPDCNLHFLMSECNQDDTFGGFDMMSEKLVNEIANYIDEMDEKPKRISFIGHSMGCIIIRAALLNSRMEPYLSKLHTFLSLSGPHLGTVYNSSGLINMGIWVMQKIKKSESLSQLRMRDDPDLRNTYLYRLSTSPGLDLFRYVLLVGSPQDRYVPYHSTRIELCKAAIKDSSTLGIIYMEMVTNLLQRFIQSTRTTVVRYDVHYNLTNSANTLIGRAAHIAVLDSEIFLEKFICVSGAKYFR
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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
1M53.4Low86.4Confident185 Ų18525.5 Ų25.591%0.91113%0.131SC*.  0150.50-65.3-44-163.300109.2
2P68.5Low87.1Confident15 Ų1523.8 Ų23.810%0.09712%0.123CC..  trans-59.1148.515729.4-34.2000109.4P123 I236P2-P123 HydrophobicContact CG-CG 4.26Å; P2-I236 HydrophobicContact CB-CB 4.28Å; P2-I236 HydrophobicContact CB-CG1 4.03Å; P2-I236 HydrophobicContact CB-CG2 3.87Å; P2-I236 HydrophobicContact CG-CG2 4.11Å
3L81.2Confident87.7Confident51 Ų5122.1 Ų22.127%0.26711%0.114SC..  trans-126.5141.3171.7-75.9170.6000107.2I206L3-I206 HydrophobicContact CB-CD1 3.72Å
4I89.1Confident88.1Confident0 Ų020.5 Ų20.50%011%0.106CC..EExtended strand (participates in β ladder)trans-114.5161.9172.356.2164.2000108.9Q120 V121 P123 L126 I202 W233 I236 L256I4-Q120 WeakPolarHBondContact O-CA 3.42Å; I4-V121 HydrophobicContact CD1-CG2 4.07Å; I4-V121 HydrophobicContact CG1-CG2 3.7Å; I4-V121 WeakPolarHBondContact CG1-O 3.23Å; I4-V121 PolarHBondContact N-O 2.85Å; I4-V121 PolarHBondContact O-N 2.8Å; I4-P123 HydrophobicContact CD1-CB 3.81Å; I4-P123 HydrophobicContact CG1-CB 4.06Å; I4-P123 HydrophobicContact CG2-CB 4.19Å; I4-P123 HydrophobicContact CG2-CG 4.46Å; I4-L126 HydrophobicContact CD1-CD1 3.93Å; I4-I202 HydrophobicContact CD1-CG2 3.76Å; I4-W233 HydrophobicContact CG2-CH2 3.79Å; I4-W233 HydrophobicContact CG2-CZ3 3.86Å; I4-I236 HydrophobicContact CG2-CD1 3.64Å; I4-L256 HydrophobicContact CD1-CD2 3.77Å
5Q90.8Very high88.3Confident5 Ų520.1 Ų20.12%0.02310%0.102CC..EExtended strand (participates in β ladder)trans-107.8117.4177.9-172.4-173.3-92.900109.8L118 V119 I202 T203Q5-L118 HydrophobicContact CG-CB 4.14Å; Q5-V119 CarbonylContact C-O 3.58Å; Q5-V119 WeakPolarHBondContact CA-O 3.33Å; Q5-I202 CarbonylContact O-C 3.5Å; Q5-I202 WeakPolarHBondContact O-CA 3.4Å; Q5-T203 PolarHBondContact N-O 2.82Å; Q5-T203 PolarHBondContact O-N 3.35Å
6A92.8Very high88.4Confident0 Ų020.1 Ų20.10%010%0.102CC..EExtended strand (participates in β ladder)trans-98.2134.5173.300000110.3V119 V121 L130 L199A6-V119 PolarHBondContact N-O 3.19Å; A6-V119 PolarHBondContact O-N 3.14Å; A6-V121 HydrophobicContact CB-CG2 3.99Å; A6-L130 HydrophobicContact CB-CD1 4.25Å; A6-L130 HydrophobicContact CB-CD2 4.11Å; A6-L199 HydrophobicContact CB-CD1 4.03Å
7T94.4Very high88.7Confident9 Ų919.1 Ų19.16%0.05510%0.097CC..EExtended strand (participates in β ladder)trans-102.9115.3175.3-54.60000110.1R116 V117 L118 T200 N201T7-R116 HydrophobicContact CG2-CB 4.22Å; T7-V117 WeakPolarHBondContact CA-O 3.34Å; T7-L118 HydrophobicContact CG2-CD2 3.81Å; T7-L118 VanDerWaalsContact OG1-CD2 3.23Å; T7-L118 WeakPolarHBondContact OG1-CD2 3.15Å; T7-T200 PolarHBondContact O-N 2.88Å; T7-T200 PolarHBondContact O-OG1 2.88Å; T7-N201 PolarHBondContact N-O 3.37Å
8L94.5Very high88.8Confident13 Ų1318.9 Ų18.97%0.06810%0.096CC..EExtended strand (participates in β ladder)trans-87.3128159.8-58.7179.6000108L10 R116 V117 L130 L169 A198 L199L8-L10 HydrophobicContact CB-CD1 4Å; L8-R116 CarbonylContact O-C 3.48Å; L8-R116 VanDerWaalsContact O-CA 3.29Å; L8-R116 WeakPolarHBondContact O-CA 3.19Å; L8-V117 HydrophobicContact CB-CB 4.38Å; L8-V117 PolarHBondContact N-O 2.83Å; L8-V117 PolarHBondContact O-N 3.29Å; L8-L130 HydrophobicContact CD2-CD1 4.29Å; L8-L169 HydrophobicContact CD1-CD2 4.25Å; L8-L169 HydrophobicContact CD2-CD2 3.78Å; L8-A198 WeakPolarHBondContact CA-O 3.26Å; L8-L199 HydrophobicContact CD2-CB 4.16Å; L8-L199 HydrophobicContact CD2-CD1 4.12Å
9S95.2Very high88.8Confident3 Ų318.1 Ų18.12%0.0219%0.092CC..EExtended strand (participates in β ladder)trans-106132.8168.6-60.10000109.2G197 A198 T200 F330S9-G197 VanDerWaalsContact O-CA 3.28Å; S9-G197 WeakPolarHBondContact O-CA 3.37Å; S9-A198 PolarHBondContact N-O 3.48Å; S9-A198 PolarHBondContact O-N 2.82Å; S9-T200 PolarHBondContact OG-OG1 3.21Å; S9-F330 VanDerWaalsContact O-CZ 3.24Å; S9-F330 WeakPolarHBondContact O-CZ 3.47Å
10L95.4Very high88.7Confident0 Ų018.2 Ų18.20%09%0.092CC..EExtended strand (participates in β ladder)trans-126.5143.3179.6-62.691.7000109.9L8 L34 E114 Q115 V117 L135 I167 L195 Y196L8-L10 HydrophobicContact CB-CD1 4Å; L10-L34 HydrophobicContact CB-CD1 4.18Å; L10-L34 HydrophobicContact CD1-CD1 3.88Å; L10-L34 HydrophobicContact CD2-CD1 4.08Å; L10-L34 HydrophobicContact CD2-CD2 4.41Å; L10-L34 HydrophobicContact CG-CD1 4.26Å; L10-E114 CarbonylContact O-C 3.6Å; L10-E114 WeakPolarHBondContact O-CA 3.4Å; L10-Q115 PolarHBondContact N-O 3.1Å; L10-Q115 PolarHBondContact O-N 3.13Å; L10-Q115 VanDerWaalsContact O-O 3.12Å; L10-V117 HydrophobicContact CD1-CG2 4.05Å; L10-L135 HydrophobicContact CD1-CD2 4.35Å; L10-L135 HydrophobicContact CD2-CD2 3.91Å; L10-I167 HydrophobicContact CD2-CD1 4.33Å; L10-L195 HydrophobicContact CD2-CD1 4.18Å; L10-Y196 CarbonylContact C-O 3.59Å; L10-Y196 VanDerWaalsContact CA-O 3.3Å; L10-Y196 WeakPolarHBondContact CA-O 3.44Å
11V95.4Very high88.3Confident0 Ų018.4 Ų18.40%09%0.094CC..EExtended strand (participates in β ladder)trans-121.2123.4171.9176.80000108.5W61 V112 F113 E114 Y196 F330 C334 T338V11-W61 HydrophobicContact CG2-CE3 4.14Å; V11-W61 HydrophobicContact CG2-CH2 4.14Å; V11-W61 HydrophobicContact CG2-CZ3 3.92Å; V11-V112 HydrophobicContact CG1-CG1 3.53Å; V11-F113 CarbonylContact C-O 3.16Å; V11-F113 VanDerWaalsContact CA-O 3.23Å; V11-F113 WeakPolarHBondContact CA-O 3.49Å; V11-E114 HydrophobicContact CG2-CB 4.49Å; V11-Y196 PolarHBondContact N-O 3.07Å; V11-Y196 PolarHBondContact O-N 3.43Å; V11-F330 HydrophobicContact CG2-CE1 3.89Å; V11-F330 HydrophobicContact CG2-CZ 4.01Å; V11-C334 HydrophobicContact CG2-CB 4.15Å; V11-T338 HydrophobicContact CG1-CG2 4.07Å
12V95Very high89.6Confident5 Ų510 Ų103%0.035%0.052CC..EExtended strand (participates in β ladder)trans-108.2123179.6-1700000108.7L14 V112 F113 L137 L195V12-L14 HydrophobicContact CG1-CD2 4.05Å; V12-V112 WeakPolarHBondContact O-CA 3.4Å; V12-F113 PolarHBondContact N-O 2.88Å; V12-F113 PolarHBondContact O-N 3.05Å; V12-L137 HydrophobicContact CG1-CD2 4.33Å; V12-L195 HydrophobicContact CG2-CD1 3.89Å
13E94.1Very high89.8Confident1 Ų113.6 Ų13.61%0.0057%0.065CC..EExtended strand (participates in β ladder)trans-105.3110.8174.4177.1177150.600108.8R15 V112 L193 A194 T338 L339E13-R15 HydrophobicContact CG-CB 4.29Å; E13-R15 IonicContact OE1-NH1 3.38Å; E13-R15 PolarHBondContact OE1-NH1 3.31Å; E13-V112 HydrophobicContact CB-CG2 4.34Å; E13-V112 HydrophobicContact CG-CG2 4.16Å; E13-L193 WeakPolarHBondContact O-CA 3.4Å; E13-A194 HydrophobicContact CB-CB 3.84Å; E13-A194 HydrophobicContact CG-CB 4.38Å; E13-A194 PolarHBondContact N-O 3.29Å; E13-A194 PolarHBondContact O-N 2.9Å; E13-T338 VanDerWaalsContact OE2-CA 3.3Å; E13-T338 WeakPolarHBondContact OE2-CA 3.46Å; E13-L339 HydrophobicContact CG-CD2 3.93Å; E13-L339 VanDerWaalsContact OE1-CA 3.25Å; E13-L339 WeakPolarHBondContact OE1-CA 3.38Å; E13-L339 PolarHBondContact OE1-N 3.37Å; E13-L339 PolarHBondContact OE2-N 3.36Å
14L93.5Very high89.6Confident0 Ų015.8 Ų15.80%07%0.073CC..EExtended strand (participates in β ladder)trans-85.2104.3167.4-51.1-171.8000107.1V12 T32 L109 C110 D111 F113 I191 L193V12-L14 HydrophobicContact CG1-CD2 4.05Å; L14-T32 HydrophobicContact CD2-CG2 3.79Å; L14-L109 HydrophobicContact CB-CB 4.36Å; L14-L109 HydrophobicContact CB-CD1 4.11Å; L14-L109 WeakPolarHBondContact O-CB 3.24Å; L14-C110 CarbonylContact O-C 3.48Å; L14-C110 WeakPolarHBondContact O-CA 3.42Å; L14-C110 PolarHBondContact O-N 2.65Å; L14-D111 HydrophobicContact CB-CB 4.47Å; L14-D111 PolarHBondContact N-O 3.02Å; L14-D111 PolarHBondContact O-N 3.35Å; L14-F113 HydrophobicContact CD1-CD2 4.49Å; L14-F113 HydrophobicContact CD1-CE2 3.74Å; L14-F113 HydrophobicContact CG-CD2 4.32Å; L14-F113 HydrophobicContact CG-CE2 3.9Å; L14-I191 HydrophobicContact CB-CD1 4.34Å; L14-I191 HydrophobicContact CD2-CD1 4.22Å; L14-L193 HydrophobicContact CD2-CD2 3.35Å
15R90.7Very high89.3Confident15 Ų1523.3 Ų23.36%0.05710%0.102CC..EExtended strand (participates in β ladder)trans-94.5-79.3-163.8-170.4-171.4167.684.78.4112.8E13 L109 C110 H178 E192 L339 S341E13-R15 HydrophobicContact CG-CB 4.29Å; E13-R15 IonicContact OE1-NH1 3.38Å; E13-R15 PolarHBondContact OE1-NH1 3.31Å; R15-L109 WeakPolarHBondContact O-CA 3.35Å; R15-L109 PolarHBondContact O-N 3.21Å; R15-C110 PolarHBondContact O-N 3.09Å; R15-H178 WeakPolarHBondContact CD-NE2 3.13Å; R15-E192 HydrophobicContact CB-CB 4.12Å; R15-E192 WeakPolarHBondContact CB-O 3.19Å; R15-E192 PolarHBondContact N-O 3.43Å; R15-L339 PolarHBondContact NH1-O 2.79Å; R15-S341 PolarHBondContact NH2-OG 3.06Å
16D91.1Very high89.1Confident19 Ų1923 Ų2310%0.10210%0.1CC..EExtended strand (participates in β ladder)trans-124.7137.5-175.3-68.9-59.6000107.8R108 E192D16-R108 WeakPolarHBondContact OD1-CD 3.34Å; D16-R108 WeakPolarHBondContact OD1-CG 3.2Å; D16-R108 IonicContact OD1-NE 3.61Å; D16-R108 PolarHBondContact OD1-NE 3.04Å; D16-R108 VanDerWaalsContact OD1-NE 3.15Å; D16-E192 HydrophobicContact CB-CB 4.37Å; D16-E192 HydrophobicContact CB-CG 4.39Å; D16-E192 PolarHBondContact O-N 3.27Å
17F92.3Very high88.8Confident3 Ų325.1 Ų25.11%0.01311%0.109CC..EExtended strand (participates in β ladder)trans-111135.2176.3175.9-85.2000108.7L22 L98 I100 S106 A107 L109 L141 C189F17-L22 HydrophobicContact CE1-CD1 4.31Å; F17-L22 HydrophobicContact CZ-CD1 4.04Å; F17-L98 HydrophobicContact CB-CD1 3.77Å; F17-L98 HydrophobicContact CD1-CD1 3.46Å; F17-L98 VanDerWaalsContact CD1-CD1 3.46Å; F17-L98 HydrophobicContact CD2-CD1 4.14Å; F17-L98 HydrophobicContact CE1-CD1 4.02Å; F17-L98 HydrophobicContact CG-CD1 3.53Å; F17-I100 HydrophobicContact CE1-CD1 4.1Å; F17-S106 CarbonylContact O-C 3.52Å; F17-S106 VanDerWaalsContact O-CA 3.25Å; F17-S106 WeakPolarHBondContact O-CA 3.32Å; F17-A107 PolarHBondContact N-O 3.04Å; F17-A107 PolarHBondContact O-N 2.86Å; F17-L109 HydrophobicContact CB-CD1 4.2Å; F17-L109 HydrophobicContact CB-CG 4.27Å; F17-L141 HydrophobicContact CE2-CD1 4.04Å; F17-L141 HydrophobicContact CZ-CD1 4.43Å; F17-C189 HydrophobicContact CE1-CB 4.42Å; F17-C189 HydrophobicContact CE2-CB 4.37Å; F17-C189 HydrophobicContact CZ-CB 3.91Å
18H91.1Very high88.6Confident16 Ų1624.8 Ų24.87%0.07411%0.106CC..EExtended strand (participates in β ladder)trans-122107.4-176.5-57.6-75000109.5I20 S106 C189 A190 F1333H18-I20 PolarHBondContact O-N 3.47Å; H18-S106 PolarHBondContact ND1-OG 2.73Å; H18-C189 CarbonylContact O-C 3.58Å; H18-C189 VanDerWaalsContact O-CA 3.26Å; H18-C189 WeakPolarHBondContact O-CA 3.48Å; H18-C189 WeakPolarHBondContact O-CB 3.41Å; H18-A190 HydrophobicContact CB-CB 4.46Å; H18-A190 PolarHBondContact N-O 3.22Å; H18-A190 PolarHBondContact O-N 3.47Å; H18-F1333 HydrophobicContact CB-CD1 4.35Å; H18-F1333 HydrophobicContact CB-CE1 3.86Å; H18-F1333 HydrophobicContact CB-CE2 4.32Å; H18-F1333 HydrophobicContact CB-CZ 3.85Å; H18-F1333 AromaticContact CD2-CD2 3.61Å; H18-F1333 AromaticContact CD2-CE2 3.81Å; H18-F1333 AromaticContact CD2-CG 3.81Å; H18-F1333 AromaticContact CE1-CG 3.92Å; H18-F1333 AromaticContact CG-CD1 3.87Å; H18-F1333 AromaticContact CG-CE1 3.88Å; H18-F1333 AromaticContact CG-CG 3.98Å; H18-F1333 AromaticContact ND1-CD1 3.87Å; H18-F1333 AromaticContact NE2-CD2 3.88Å; H18-F1333 AromaticContact NE2-CG 3.79Å
19N89.5Confident88.4Confident4 Ų424.5 Ų24.52%0.02111%0.105CC..EExtended strand (participates in β ladder)trans-65120.2160.6-176.710.6000107.7D21 L22 I100 Y102 D104 E105N19-D21 PolarHBondContact OD1-N 2.74Å; N19-L22 HydrophobicContact CB-CD1 4.36Å; N19-L22 WeakPolarHBondContact OD1-CB 3.45Å; N19-L22 VanDerWaalsContact OD1-CG 3.25Å; N19-L22 WeakPolarHBondContact OD1-CG 3.47Å; N19-L22 PolarHBondContact OD1-N 3.32Å; N19-I100 VanDerWaalsContact ND2-CG2 3.3Å; N19-I100 WeakPolarHBondContact ND2-CG2 3.22Å; N19-Y102 PolarHBondContact ND2-O 2.89Å; N19-D104 WeakPolarHBondContact O-CA 3.39Å; N19-E105 HydrophobicContact CB-CB 4.39Å; N19-E105 WeakPolarHBondContact CB-O 3.3Å; N19-E105 PolarHBondContact N-O 3.2Å
20I85.5Confident88.3Confident20 Ų2024.5 Ų24.510%0.10311%0.105CC..SBendtrans-96.9-57.9175.2-56164.8000107.9H18 F182 L188 A190 F1333 V1364H18-I20 PolarHBondContact O-N 3.47Å; I20-F182 HydrophobicContact CD1-CD1 3.68Å; I20-F182 HydrophobicContact CD1-CE1 3.61Å; I20-L188 HydrophobicContact CB-CG 4.3Å; I20-L188 WeakPolarHBondContact CB-O 3.34Å; I20-L188 HydrophobicContact CD1-CG 4.46Å; I20-L188 HydrophobicContact CG2-CD2 4.42Å; I20-L188 HydrophobicContact CG2-CG 4.35Å; I20-L188 PolarHBondContact N-O 2.97Å; I20-A190 HydrophobicContact CD1-CB 4.09Å; I20-F1333 HydrophobicContact CD1-CZ 4.16Å; I20-F1333 HydrophobicContact CG1-CZ 4.22Å; I20-V1364 HydrophobicContact CG2-CG1 3.86Å; I20-V1364 HydrophobicContact CG2-CG2 4.02Å
21D80.2Confident88.2Confident22 Ų2226.3 Ų26.312%0.11811%0.111CC..SBendtrans-156.157.2173.3-170.827.6000111.8N19 Y23 R103 L188 R1360N19-D21 PolarHBondContact OD1-N 2.74Å; D21-Y23 VanDerWaalsContact CG-CE1 3.49Å; D21-Y23 PolarHBondContact O-N 3.05Å; D21-Y23 WeakPolarHBondContact OD1-CE1 3.41Å; D21-Y23 WeakPolarHBondContact OD2-CE1 3.33Å; D21-Y23 VanDerWaalsContact OD2-CZ 3.29Å; D21-Y23 PolarHBondContact OD2-OH 3.41Å; D21-R103 WeakPolarHBondContact OD1-CD 3.37Å; D21-R103 IonicContact OD1-CZ 3.33Å; D21-R103 IonicContact OD1-NE 3.07Å; D21-R103 PolarHBondContact OD1-NE 2.61Å; D21-R103 VanDerWaalsContact OD1-NE 3.07Å; D21-R103 IonicContact OD1-NH1 3.55Å; D21-L188 PolarHBondContact N-O 3.47Å; D21-R1360 PolarHBondContact O-NH2 3.37Å; D21-R1360 IonicContact OD2-CZ 3.27Å; D21-R1360 IonicContact OD2-NE 3.32Å; D21-R1360 PolarHBondContact OD2-NE 2.82Å; D21-R1360 IonicContact OD2-NH2 2.96Å; D21-R1360 PolarHBondContact OD2-NH2 2.7Å
22L82.3Confident88.2Confident8 Ų826.4 Ų26.44%0.04211%0.112CC..  trans-69.1115.3169.6-66.1169.4000109.7F17 N19 Y28 H187 C189F17-L22 HydrophobicContact CE1-CD1 4.31Å; F17-L22 HydrophobicContact CZ-CD1 4.04Å; N19-L22 HydrophobicContact CB-CD1 4.36Å; N19-L22 WeakPolarHBondContact OD1-CB 3.45Å; N19-L22 VanDerWaalsContact OD1-CG 3.25Å; N19-L22 WeakPolarHBondContact OD1-CG 3.47Å; N19-L22 PolarHBondContact OD1-N 3.32Å; L22-Y28 HydrophobicContact CD1-CD1 4.41Å; L22-Y28 HydrophobicContact CD1-CD2 4.41Å; L22-Y28 HydrophobicContact CD1-CE1 4.03Å; L22-Y28 HydrophobicContact CD1-CE2 4.04Å; L22-Y28 HydrophobicContact CD2-CE1 4.12Å; L22-H187 VanDerWaalsContact CD2-C 3.46Å; L22-H187 HydrophobicContact CD2-CB 4.25Å; L22-C189 HydrophobicContact CD1-CB 3.83Å; L22-C189 HydrophobicContact CD2-CB 4.15Å; L22-C189 HydrophobicContact CG-CB 3.94Å
23Y71.3Confident88Confident92 Ų9227.7 Ų27.736%0.36112%0.118SC..  trans-75.5-28.7-179.8-62.3-49.2000114.5D21 R1360D21-Y23 VanDerWaalsContact CG-CE1 3.49Å; D21-Y23 PolarHBondContact O-N 3.05Å; D21-Y23 WeakPolarHBondContact OD1-CE1 3.41Å; D21-Y23 WeakPolarHBondContact OD2-CE1 3.33Å; D21-Y23 VanDerWaalsContact OD2-CZ 3.29Å; D21-Y23 PolarHBondContact OD2-OH 3.41Å; Y23-R1360 WeakPolarHBondContact OH-CD 3.44Å; Y23-R1360 VanDerWaalsContact OH-CZ 3.28Å; Y23-R1360 PolarHBondContact OH-NE 3.23Å
24H77.8Confident88Confident96 Ų9628 Ų2844%0.44412%0.119SC..SBendtrans-90.5123.4-175.2-63.8-72000110.9Y28 F143H24-Y28 WeakPolarHBondContact O-CE2 3.39Å; H24-Y28 PolarHBondContact O-OH 3.4Å; H24-Y28 VanDerWaalsContact O-OH 3.07Å; H24-F143 HydrophobicContact CB-CE1 3.94Å; H24-F143 HydrophobicContact CB-CE2 4.04Å; H24-F143 HydrophobicContact CB-CZ 3.49Å; H24-F143 VanDerWaalsContact CB-CZ 3.49Å
25R82.9Confident87.8Confident158 Ų15832 Ų3260%0.59614%0.137SC*.  trans-76142.6170.8-73.4177.7167.5149.7-0.4110.4I101R25-I101 PolarHBondContact NE-O 2.8Å; R25-I101 PolarHBondContact NH2-O 3.45Å
26G85.7Confident87.5Confident0 Ų032.5 Ų32.50%014%0.142CC..EExtended strand (participates in β ladder)trans145.2-161.2176.900000113.9I100 V144G26-I100 PolarHBondContact N-O 3.49Å; G26-I100 PolarHBondContact O-N 2.99Å; G26-V144 CarbonylContact C-O 3.57Å; G26-V144 WeakPolarHBondContact CA-O 3.43Å
27Y87.3Confident86.3Confident44 Ų4433 Ų3317%0.17315%0.151CC..EExtended strand (participates in β ladder)trans-95.6121.8-172.2-58.8-87.9000110.9T97 L98 L99 F143 V144 D146 F152 L157Y27-T97 HydrophobicContact CD1-CG2 4Å; Y27-T97 HydrophobicContact CG-CG2 4.31Å; Y27-L98 CarbonylContact C-O 3.44Å; Y27-L98 WeakPolarHBondContact CA-O 3.45Å; Y27-L99 HydrophobicContact CD1-CB 4.06Å; Y27-L99 HydrophobicContact CD1-CD1 4.15Å; Y27-L99 HydrophobicContact CD2-CD1 4.47Å; Y27-L99 HydrophobicContact CE1-CB 3.93Å; Y27-L99 HydrophobicContact CE1-CD1 3.89Å; Y27-L99 HydrophobicContact CE1-CD2 4.17Å; Y27-L99 HydrophobicContact CE1-CG 4.2Å; Y27-L99 HydrophobicContact CE2-CD1 4.22Å; Y27-L99 HydrophobicContact CG-CD1 4.42Å; Y27-F143 CarbonylContact O-C 3.46Å; Y27-F143 WeakPolarHBondContact O-CA 3.3Å; Y27-V144 HydrophobicContact CD2-CG1 4.24Å; Y27-V144 PolarHBondContact N-O 2.86Å; Y27-V144 PolarHBondContact O-N 3.35Å; Y27-D146 HydrophobicContact CE2-CB 4.41Å; Y27-D146 WeakPolarHBondContact CE2-OD1 3.4Å; Y27-D146 PolarHBondContact OH-OD1 3.02Å; Y27-F152 HydrophobicContact CD1-CD2 4Å; Y27-F152 HydrophobicContact CD1-CE2 4.38Å; Y27-F152 HydrophobicContact CD1-CG 4.35Å; Y27-F152 HydrophobicContact CD2-CB 4.48Å; Y27-F152 AromaticContact CD2-CD2 3.6Å; Y27-F152 HydrophobicContact CD2-CD2 3.6Å; Y27-F152 HydrophobicContact CD2-CE2 4.29Å; Y27-F152 HydrophobicContact CD2-CG 4.36Å; Y27-F152 HydrophobicContact CE1-CB 4.47Å; Y27-F152 HydrophobicContact CE2-CB 4.19Å; Y27-F152 HydrophobicContact CE2-CD2 4.16Å; Y27-F152 AromaticContact CG-CD2 3.53Å; Y27-F152 HydrophobicContact CG-CD2 3.53Å; Y27-F152 AromaticContact CG-CE2 3.86Å; Y27-F152 HydrophobicContact CG-CE2 3.86Å; Y27-F152 HydrophobicContact CG-CG 4.29Å; Y27-L157 WeakPolarHBondContact O-CD2 3.33Å
28Y90.3Very high84.4Confident2 Ų236.3 Ų36.31%0.00817%0.172CC..EExtended strand (participates in β ladder)trans-109.7149.8177.1-73.1-89.6000111.6L22 H24 T97 L98 I100 L141 W142 F143L22-Y28 HydrophobicContact CD1-CD1 4.41Å; L22-Y28 HydrophobicContact CD1-CD2 4.41Å; L22-Y28 HydrophobicContact CD1-CE1 4.03Å; L22-Y28 HydrophobicContact CD1-CE2 4.04Å; L22-Y28 HydrophobicContact CD2-CE1 4.12Å; H24-Y28 WeakPolarHBondContact O-CE2 3.39Å; H24-Y28 PolarHBondContact O-OH 3.4Å; H24-Y28 VanDerWaalsContact O-OH 3.07Å; Y28-T97 CarbonylContact O-C 3.6Å; Y28-T97 WeakPolarHBondContact O-CA 3.49Å; Y28-L98 PolarHBondContact N-O 2.84Å; Y28-L98 PolarHBondContact O-N 3.02Å; Y28-I100 HydrophobicContact CD2-CB 3.92Å; Y28-I100 HydrophobicContact CD2-CG1 3.57Å; Y28-I100 HydrophobicContact CE2-CB 4.04Å; Y28-I100 HydrophobicContact CE2-CG1 4.11Å; Y28-I100 HydrophobicContact CG-CG1 4.39Å; Y28-L141 HydrophobicContact CD1-CD1 3.87Å; Y28-L141 HydrophobicContact CD1-CD2 4.23Å; Y28-L141 HydrophobicContact CD1-CG 4.09Å; Y28-L141 HydrophobicContact CE1-CD2 4.25Å; Y28-W142 CarbonylContact C-O 3.57Å; Y28-W142 VanDerWaalsContact CA-O 3.23Å; Y28-W142 WeakPolarHBondContact CA-O 3.29Å; Y28-F143 HydrophobicContact CD1-CB 3.93Å; Y28-F143 AromaticContact CD1-CD2 3.89Å; Y28-F143 HydrophobicContact CD1-CD2 3.89Å; Y28-F143 HydrophobicContact CD1-CG 4.31Å; Y28-F143 AromaticContact CD2-CD2 3.9Å; Y28-F143 HydrophobicContact CD2-CD2 3.9Å; Y28-F143 HydrophobicContact CD2-CE2 4.37Å; Y28-F143 HydrophobicContact CE1-CB 3.78Å; Y28-F143 AromaticContact CE1-CD2 3.48Å; Y28-F143 HydrophobicContact CE1-CD2 3.48Å; Y28-F143 VanDerWaalsContact CE1-CD2 3.48Å; Y28-F143 HydrophobicContact CE1-CE2 4.36Å; Y28-F143 AromaticContact CE1-CG 3.84Å; Y28-F143 HydrophobicContact CE1-CG 3.84Å; Y28-F143 AromaticContact CE2-CD2 3.49Å; Y28-F143 HydrophobicContact CE2-CD2 3.49Å; Y28-F143 VanDerWaalsContact CE2-CD2 3.49Å; Y28-F143 AromaticContact CE2-CE2 3.71Å; Y28-F143 HydrophobicContact CE2-CE2 3.71Å; Y28-F143 HydrophobicContact CG-CD2 4.1Å; Y28-F143 AromaticContact CZ-CD2 3.27Å; Y28-F143 AromaticContact CZ-CE2 3.7Å; Y28-F143 AromaticContact CZ-CG 4Å
29Q91Very high82Confident6 Ų642.2 Ų42.23%0.02820%0.199CC..EExtended strand (participates in β ladder)trans-142.9126.9176.9-166.7177.938.900113.5R31 C94 W142 L157Q29-R31 HydrophobicContact CG-CG 4.27Å; Q29-R31 PolarHBondContact O-N 3.35Å; Q29-R31 VanDerWaalsContact OE1-CZ 3.23Å; Q29-C94 VanDerWaalsContact CD-O 3.25Å; Q29-C94 WeakPolarHBondContact CG-O 3.38Å; Q29-C94 PolarHBondContact NE2-O 3.47Å; Q29-W142 HydrophobicContact CB-CB 4.29Å; Q29-W142 PolarHBondContact N-O 3.1Å; Q29-W142 PolarHBondContact O-N 2.95Å; Q29-W142 VanDerWaalsContact O-N 3.08Å; Q29-L157 HydrophobicContact CB-CD1 4.02Å
30V92.5Very high79.1Confident4 Ų447 Ų472%0.02423%0.23CC..EExtended strand (participates in β ladder)trans-63.585.9166.6-162.30000115.6T32 C94 S95 V139 L141 F183 I191V30-T32 HydrophobicContact CG1-CG2 4.11Å; V30-C94 CarbonylContact O-C 3.52Å; V30-C94 WeakPolarHBondContact O-CA 3.37Å; V30-S95 VanDerWaalsContact CA-OG 3.23Å; V30-S95 WeakPolarHBondContact CA-OG 3.36Å; V30-S95 PolarHBondContact N-OG 2.91Å; V30-S95 WeakPolarHBondContact O-CB 3.44Å; V30-S95 PolarHBondContact O-N 3.31Å; V30-S95 VanDerWaalsContact O-N 3.07Å; V30-S95 PolarHBondContact O-OG 3.36Å; V30-V139 HydrophobicContact CG1-CG1 3.8Å; V30-L141 HydrophobicContact CG2-CB 4.43Å; V30-L141 HydrophobicContact CG2-CD1 3.53Å; V30-F183 HydrophobicContact CG1-CZ 4.4Å; V30-F183 HydrophobicContact CG2-CE2 4.3Å; V30-F183 HydrophobicContact CG2-CZ 3.93Å; V30-I191 HydrophobicContact CB-CD1 3.98Å; V30-I191 HydrophobicContact CG1-CD1 3.68Å
31R93.4Very high76.5Confident37 Ų3751.3 Ų51.314%0.1426%0.262CS..EExtended strand (participates in β ladder)trans-98.4132.9174-56.1-162.7-172.6158.2-1.2112.5Q29 A93 C94 E140 W142Q29-R31 HydrophobicContact CG-CG 4.27Å; Q29-R31 PolarHBondContact O-N 3.35Å; Q29-R31 VanDerWaalsContact OE1-CZ 3.23Å; R31-A93 CarbonylContact C-O 3.51Å; R31-A93 VanDerWaalsContact CA-O 3.23Å; R31-A93 WeakPolarHBondContact CA-O 3.36Å; R31-C94 HydrophobicContact CG-CB 4.37Å; R31-E140 HydrophobicContact CB-CB 4.27Å; R31-E140 PolarHBondContact N-O 3.47Å; R31-E140 PolarHBondContact O-N 3.5Å; R31-W142 HydrophobicContact CG-CG 4.14Å
32T94Very high74Confident2 Ų253.3 Ų53.31%0.01228%0.281CS..EExtended strand (participates in β ladder)trans-136.8146.3-178.857.60000112.9L14 V30 A93 C138 V139L14-T32 HydrophobicContact CD2-CG2 3.79Å; V30-T32 HydrophobicContact CG1-CG2 4.11Å; T32-A93 PolarHBondContact N-O 3.09Å; T32-A93 PolarHBondContact O-N 3.5Å; T32-C138 WeakPolarHBondContact CA-O 3.48Å; T32-V139 HydrophobicContact CG2-CB 4.31Å; T32-V139 HydrophobicContact CG2-CG1 4.01Å; T32-V139 HydrophobicContact CG2-CG2 4.06Å
33H92.1Very high71.5Confident32 Ų3257.2 Ų57.215%0.14831%0.306CS..EExtended strand (participates in β ladder)trans-158.8147.2175.759.3-58.2000112.3K92 C138 E140H33-K92 HydrophobicContact CB-CB 4.39Å; H33-K92 HydrophobicContact CB-CG 3.99Å; H33-K92 VanDerWaalsContact CE1-CE 3.45Å; H33-K92 WeakPolarHBondContact CE1-CE 3.43Å; H33-C138 WeakPolarHBondContact CE1-CB 3.32Å; H33-C138 PolarHBondContact N-O 3.22Å; H33-C138 PolarHBondContact O-N 3.02Å; H33-E140 IonicContact CE1-OE1 3.63Å
34L93Very high69.6Low8 Ų859 Ų594%0.04233%0.326CS..EExtended strand (participates in β ladder)trans-80148.7168.2-66.2175.1000112L10 V55 Q115 V117 L135 F136 L137 I167L10-L34 HydrophobicContact CB-CD1 4.18Å; L10-L34 HydrophobicContact CD1-CD1 3.88Å; L10-L34 HydrophobicContact CD2-CD1 4.08Å; L10-L34 HydrophobicContact CD2-CD2 4.41Å; L10-L34 HydrophobicContact CG-CD1 4.26Å; L34-V55 HydrophobicContact CB-CG1 3.79Å; L34-Q115 HydrophobicContact CD1-CB 4.01Å; L34-Q115 HydrophobicContact CD1-CG 4.15Å; L34-V117 HydrophobicContact CD1-CG2 3.94Å; L34-L135 HydrophobicContact CB-CD1 4.3Å; L34-L135 HydrophobicContact CD2-CD1 4.25Å; L34-L135 HydrophobicContact CD2-CG 4.38Å; L34-F136 CarbonylContact C-O 3.48Å; L34-F136 VanDerWaalsContact CA-O 3.29Å; L34-F136 WeakPolarHBondContact CA-O 3.21Å; L34-L137 HydrophobicContact CD2-CB 3.97Å; L34-L137 HydrophobicContact CD2-CD1 4.13Å; L34-I167 HydrophobicContact CD2-CD1 3.73Å
35K89Confident67.1Low84 Ų8457.9 Ų57.937%0.36534%0.341SS..EExtended strand (participates in β ladder)trans-147.4143.4-177.5171.3-172.9171-164.50109.5F136K35-F136 HydrophobicContact CB-CB 4.44Å; K35-F136 PolarHBondContact N-O 2.94Å; K35-F136 PolarHBondContact O-N 2.94Å
36T85.4Confident64.4Low26 Ų2655.5 Ų55.516%0.1635%0.349CS..EExtended strand (participates in β ladder)trans-110.1140.8-178.751.30000111.8V38 A53 V55 V117 D134 L135T36-V38 PolarHBondContact O-N 3.38Å; T36-V38 VanDerWaalsContact O-N 3.13Å; T36-A53 HydrophobicContact CG2-CB 3.62Å; T36-A53 PolarHBondContact OG1-O 2.87Å; T36-V55 HydrophobicContact CG2-CG2 3.96Å; T36-V117 HydrophobicContact CG2-CG1 3.94Å; T36-D134 CarbonylContact C-O 3.45Å; T36-D134 WeakPolarHBondContact CA-O 3.45Å; T36-L135 HydrophobicContact CG2-CD1 4.09Å
37G66.1Low61.6Low30 Ų3062.1 Ų62.131%0.30938%0.384SS..  trans-85.367.4-171.900000114H39 D134G37-H39 PolarHBondContact O-N 2.91Å; G37-D134 PolarHBondContact N-O 3.5Å
38V51.7Low58.8Low72 Ų7266.2 Ų66.244%0.43641%0.409SS..  trans-80.1107.7166.5-177.10000109.1T36 P40 S51T36-V38 PolarHBondContact O-N 3.38Å; T36-V38 VanDerWaalsContact O-N 3.13Å; V38-P40 WeakPolarHBondContact O-CD 3.24Å; V38-S51 WeakPolarHBondContact CG2-OG 3.49Å
39H40.3Very low55.9Low140 Ų14070.1 Ų70.165%0.64845%0.45SS*.  trans-65.6122.3170-114.4-96.3000109.7G37 S41G37-H39 PolarHBondContact O-N 2.91Å; H39-S41 VanDerWaalsContact C-N 3.32Å; H39-S41 PolarHBondContact O-N 3.47Å
40P28.5Very low54Low105 Ų10574.4 Ų74.468%0.68247%0.469SS*.  trans-71.892.7165.929.7-31.6000107.8V38 A42V38-P40 WeakPolarHBondContact O-CD 3.24Å; P40-A42 PolarHBondContact O-N 2.94Å; P40-A42 VanDerWaalsContact O-N 3.14Å
41S31.2Very low52.3Low110 Ų11075.9 Ų75.977%0.76948%0.479SS*.  trans-63.2113.5178.255.70000109.8H39H39-S41 VanDerWaalsContact C-N 3.32Å; H39-S41 PolarHBondContact O-N 3.47Å
42A28Very low51.4Low63 Ų6376 Ų7652%0.52149%0.486SS..  trans-67.7163.8176.200000111.8P40P40-A42 PolarHBondContact O-N 2.94Å; P40-A42 VanDerWaalsContact O-N 3.14Å
43T29.5Very low50.8Low90 Ų9076.1 Ų76.155%0.55249%0.486SS*.SBendtrans69.6128.8172.2330000118.9
44T32.5Very low50.5Low129 Ų12976.9 Ų76.979%0.79149%0.489SS*.  trans70.3143.4175680000116.4
45G25.2Very low50.3Low73 Ų7377.9 Ų77.975%0.75350%0.496SS*.  trans-106.9-178.3-162.900000115.3
46S25.7Very low50.2Low109 Ų10976.1 Ų76.176%0.76249%0.489SS*.  trans91.3129.2-172.7-158.30000114.9
47N27.8Very low50.2Low139 Ų13977.7 Ų77.774%0.74350%0.5SS*.SBendtrans65.978.4166.6-61.2-31.3000119.9G49N47-G49 PolarHBondContact O-N 2.97Å
48N28.5Very low51.3Low129 Ų12977 Ų7769%0.6949%0.49SS*.  trans3383137.3-68.7-41.8000117.8K50N48-K50 VanDerWaalsContact C-N 3.33Å; N48-K50 PolarHBondContact O-N 3.31Å
49G29.4Very low52.9Low85 Ų8576.7 Ų76.788%0.87649%0.488SS*.  trans-65.586.3165.500000112.2N47N47-G49 PolarHBondContact O-N 2.97Å
50K50.5Low54.8Low96 Ų9675.8 Ų75.842%0.41748%0.479SS..  trans-69.4136.9170-62.3171-172.5165.70108.6N48 S52 L225N48-K50 VanDerWaalsContact C-N 3.33Å; N48-K50 PolarHBondContact O-N 3.31Å; K50-S52 PolarHBondContact O-N 3.05Å; K50-L225 HydrophobicContact CD-CD2 4.5Å
51S56Low57.1Low35 Ų3572 Ų7225%0.24545%0.451CS..  trans-62.1137.8169.6179.70000110V38 A53 W209V38-S51 WeakPolarHBondContact CG2-OG 3.49Å; S51-A53 PolarHBondContact OG-N 2.68Å; S51-A53 PolarHBondContact OG-O 3.34Å; S51-W209 VanDerWaalsContact CB-CH2 3.47Å; S51-W209 WeakPolarHBondContact O-CH2 3.33Å; S51-W209 WeakPolarHBondContact O-CZ2 3.24Å; S51-W209 WeakPolarHBondContact OG-CH2 3.23Å
52S75.2Confident58.6Low40 Ų4072.5 Ų72.528%0.2844%0.441SS..SBendtrans-81.2-21.3175.838.60000112.9K50 Q120 N133K50-S52 PolarHBondContact O-N 3.05Å; S52-Q120 WeakPolarHBondContact O-CB 3.42Å; S52-Q120 PolarHBondContact O-N 3.38Å; S52-N133 WeakPolarHBondContact CB-OD1 3.38Å; S52-N133 PolarHBondContact OG-OD1 3.34Å
53A82.1Confident59.7Low3 Ų372.8 Ų72.83%0.02543%0.429CS..EExtended strand (participates in β ladder)trans-130.3120.2-17400000113.2T36 S51 V117 L118 V119 W209T36-A53 HydrophobicContact CG2-CB 3.62Å; T36-A53 PolarHBondContact OG1-O 2.87Å; S51-A53 PolarHBondContact OG-N 2.68Å; S51-A53 PolarHBondContact OG-O 3.34Å; A53-V117 HydrophobicContact CB-CG1 4.26Å; A53-L118 WeakPolarHBondContact CA-O 3.33Å; A53-V119 HydrophobicContact CB-CB 4.39Å; A53-V119 HydrophobicContact CB-CG1 4.15Å; A53-V119 HydrophobicContact CB-CG2 3.95Å; A53-W209 VanDerWaalsContact O-CH2 3.27Å; A53-W209 WeakPolarHBondContact O-CH2 3.32Å
54F85.9Confident60.2Low48 Ų4873.6 Ų73.621%0.21145%0.445CS..EExtended strand (participates in β ladder)trans-95.5144.6174.2-179.8-111000110.1E56 V117 L118 W209 P210F54-E56 HydrophobicContact CD1-CG 4.39Å; F54-E56 HydrophobicContact CE1-CG 4.12Å; F54-V117 CarbonylContact O-C 3.48Å; F54-V117 VanDerWaalsContact O-CA 3.29Å; F54-V117 WeakPolarHBondContact O-CA 3.23Å; F54-V117 WeakPolarHBondContact O-CG1 3.12Å; F54-L118 HydrophobicContact CB-CB 4.39Å; F54-L118 HydrophobicContact CD1-CD1 4.18Å; F54-L118 PolarHBondContact N-O 2.9Å; F54-L118 PolarHBondContact O-N 2.86Å; F54-W209 HydrophobicContact CB-CD2 3.85Å; F54-W209 HydrophobicContact CB-CE3 3.81Å; F54-W209 HydrophobicContact CB-CH2 3.78Å; F54-W209 HydrophobicContact CB-CZ2 3.78Å; F54-W209 HydrophobicContact CB-CZ3 3.76Å; F54-W209 HydrophobicContact CD2-CD2 4.05Å; F54-W209 AromaticContact CD2-CE3 3.57Å; F54-W209 HydrophobicContact CD2-CE3 3.57Å; F54-W209 HydrophobicContact CD2-CZ3 4.02Å; F54-W209 HydrophobicContact CG-CD2 4.23Å; F54-W209 HydrophobicContact CG-CE3 4.09Å; F54-W209 HydrophobicContact CG-CZ3 4.4Å; F54-W209 VanDerWaalsContact N-CH2 3.26Å; F54-P210 HydrophobicContact CE2-CG 4.46Å; F54-P210 HydrophobicContact CZ-CG 4.01Å
55V87.3Confident60.4Low29 Ų2972.7 Ų72.718%0.17644%0.444CS..EExtended strand (participates in β ladder)trans-113.8120.6174.7-175.20000107.7L34 T36 Q115 V117L34-V55 HydrophobicContact CB-CG1 3.79Å; T36-V55 HydrophobicContact CG2-CG2 3.96Å; V55-Q115 HydrophobicContact CG1-CG 3.92Å; V55-Q115 VanDerWaalsContact CG1-NE2 3.3Å; V55-V117 HydrophobicContact CG2-CG1 4.41Å; V55-V117 HydrophobicContact CG2-CG2 4.41Å
56E87.8Confident61Low47 Ų4772.3 Ų72.322%0.2243%0.427CS..PPolyproline II helixtrans-66.2148.5173.6-68-177.7178.900110.1F54 Q115 R116F54-E56 HydrophobicContact CD1-CG 4.39Å; F54-E56 HydrophobicContact CE1-CG 4.12Å; E56-Q115 WeakPolarHBondContact O-CG 3.17Å; E56-Q115 PolarHBondContact O-NE2 3.48Å; E56-R116 HydrophobicContact CB-CB 4.35Å; E56-R116 HydrophobicContact CG-CB 4.19Å; E56-R116 PolarHBondContact N-O 2.99Å; E56-R116 IonicContact OE1-NH1 2.77Å; E56-R116 WeakPolarHBondContact OE2-CB 3.31Å; E56-R116 WeakPolarHBondContact OE2-CD 3.35Å; E56-R116 WeakPolarHBondContact OE2-CG 3.35Å; E56-R116 IonicContact OE2-CZ 3.25Å; E56-R116 IonicContact OE2-NE 2.7Å; E56-R116 IonicContact OE2-NH1 2.62Å; E56-R116 PolarHBondContact OE2-NH1 3.5Å
57P86Confident61.2Low60 Ų6079.3 Ų79.339%0.3944%0.436SS..PPolyproline II helixtrans-56.9143170.9-24.935000111.5T59P57-T59 PolarHBondContact O-N 3.11Å
58P87.6Confident61.6Low15 Ų1581 Ų8110%0.09744%0.438CS..PPolyproline II helixtrans-72.4130.9-176.227.9-30.4000111.2K92 A93 E114 Q115P58-K92 VanDerWaalsContact CG-C 3.49Å; P58-A93 HydrophobicContact CB-CB 4.23Å; P58-A93 HydrophobicContact CG-CB 4.28Å; P58-A93 VanDerWaalsContact CG-N 3.34Å; P58-E114 WeakPolarHBondContact CA-O 3.37Å; P58-Q115 HydrophobicContact CB-CB 4.37Å; P58-Q115 HydrophobicContact CB-CG 4.27Å
59T86Confident61.7Low65 Ų6584.8 Ų84.840%0.39945%0.448SS..EExtended strand (participates in β ladder)trans-103.5151.5177.163.30000110.8P57 F113 E114P57-T59 PolarHBondContact O-N 3.11Å; T59-F113 CarbonylContact O-C 3.48Å; T59-F113 WeakPolarHBondContact O-CA 3.41Å; T59-E114 PolarHBondContact N-O 3.24Å; T59-E114 PolarHBondContact O-N 3.37Å; T59-E114 PolarHBondContact OG1-O 3.04Å
60R81.2Confident61.9Low121 Ų12185.3 Ų85.346%0.45743%0.434SS..EExtended strand (participates in β ladder)trans-77.4130.4177.6-164.2-178.3-166.6-172.86.6110.2E62 D111R60-E62 PolarHBondContact O-N 3.25Å; R60-E62 VanDerWaalsContact O-N 3.11Å; R60-D111 IonicContact NH2-OD1 2.71Å
61W75.8Confident61Low26 Ų2686 Ų8610%0.09845%0.448CS..  trans-82.189.9-179.9-173.8-99.5000111.3V11 R63 V112 E114 K331 C334 K335V11-W61 HydrophobicContact CG2-CE3 4.14Å; V11-W61 HydrophobicContact CG2-CH2 4.14Å; V11-W61 HydrophobicContact CG2-CZ3 3.92Å; W61-R63 PolarHBondContact O-N 2.7Å; W61-V112 HydrophobicContact CB-CB 3.96Å; W61-V112 HydrophobicContact CB-CG1 3.7Å; W61-V112 WeakPolarHBondContact CB-O 3.43Å; W61-V112 HydrophobicContact CG-CG1 3.93Å; W61-V112 PolarHBondContact N-O 3.23Å; W61-E114 HydrophobicContact CE3-CB 3.81Å; W61-E114 HydrophobicContact CZ3-CB 4.13Å; W61-E114 HydrophobicContact CZ3-CG 4.35Å; W61-E114 WeakPolarHBondContact CZ3-OE2 3.47Å; W61-K331 HydrophobicContact CH2-CB 4.27Å; W61-K331 HydrophobicContact CH2-CG 3.99Å; W61-K331 HydrophobicContact CZ3-CG 4.43Å; W61-C334 HydrophobicContact CH2-CB 3.73Å; W61-C334 HydrophobicContact CZ2-CB 3.37Å; W61-K335 HydrophobicContact CZ2-CG 4.08Å
62E62Low59.8Low121 Ų12194 Ų9457%0.56548%0.481SS*.  trans-70.8115.4-179.9-67.2-166.6166.700112.9R60R60-E62 PolarHBondContact O-N 3.25Å; R60-E62 VanDerWaalsContact O-N 3.11Å
63R50.9Low57.6Low69 Ų6995.9 Ų95.926%0.2650%0.499SS..  trans-91.199.1165.5-171.8-177.2-63.8172.7-2.9109.6W61 S65 T66 T338W61-R63 PolarHBondContact O-N 2.7Å; R63-S65 PolarHBondContact O-N 3.23Å; R63-T66 WeakPolarHBondContact CD-OG1 3.41Å; R63-T66 HydrophobicContact CG-CG2 4.46Å; R63-T66 PolarHBondContact O-N 3.39Å; R63-T338 VanDerWaalsContact NH2-C 3.31Å; R63-T338 PolarHBondContact NH2-O 2.94Å; R63-T338 PolarHBondContact NH2-OG1 2.95Å
64A41.4Very low55.4Low107 Ų10799.3 Ų99.388%0.88452%0.52SS*.THydrogen-bonded Turntrans-56.2-3.6-179.600000116.5
65S37Very low52.9Low110 Ų110106.6 Ų106.677%0.76955%0.552SS**THydrogen-bonded Turntrans-123.210.6-172.3-46.40000114.9R63R63-S65 PolarHBondContact O-N 3.23Å
66T36.5Very low50.6Low64 Ų64106.5 Ų106.539%0.39355%0.554SS.*  trans-132.166.8177.3560000113.6R63 F68R63-T66 WeakPolarHBondContact CD-OG1 3.41Å; R63-T66 HydrophobicContact CG-CG2 4.46Å; R63-T66 PolarHBondContact O-N 3.39Å; T66-F68 PolarHBondContact O-N 2.85Å
67R30.8Very low48.2Very low256 Ų256107.4 Ų107.497%0.96657%0.566SS**  trans-72.861.4157.4-70.4-170.7-177.4-1801.8110.9K69R67-K69 PolarHBondContact O-N 2.85Å
68F36.5Very low46.2Very low176 Ų176106.2 Ų106.277%0.77255%0.554SS**  trans-70125.5155.7-86.7-82.5000107.1T66 V70T66-F68 PolarHBondContact O-N 2.85Å; F68-V70 VanDerWaalsContact C-N 3.33Å; F68-V70 PolarHBondContact O-N 3.18Å
69K30.4Very low43.8Very low208 Ų208109.3 Ų109.390%0.90457%0.568SS**  trans-67.990.5177.2-73-171.1176.8-173.10109.7R67R67-K69 PolarHBondContact O-N 2.85Å
70V33.8Very low41.5Very low96 Ų96111.7 Ų111.758%0.58258%0.575SS**  trans-67.7134.8160.3-177.50000107.2F68F68-V70 VanDerWaalsContact C-N 3.33Å; F68-V70 PolarHBondContact O-N 3.18Å
71P31Very low39.7Very low111 Ų111111.1 Ų111.172%0.72159%0.587SS**  trans-54.1142.7177.7-2836.2000112.7A73P71-A73 PolarHBondContact O-N 2.85Å
72E30.5Very low38.2Very low201 Ų201114.9 Ų114.994%0.93962%0.617SS**  trans-80.334.6-167.2-156.1167.3175.900113.7
73A29.8Very low37Very low80 Ų80112.5 Ų112.566%0.66161%0.611SS**  trans-89.5115.1-179.200000111P71P71-A73 PolarHBondContact O-N 2.85Å
74V34.9Very low36.4Very low76 Ų76114.5 Ų114.546%0.46164%0.636SS.*SBendtrans64.4105176-168.50000114.7A76 F152V74-A76 PolarHBondContact O-N 3.2Å; V74-F152 HydrophobicContact CG1-CE1 4.33Å
75K34.3Very low35.9Very low200 Ų200115.4 Ų115.487%0.8763%0.63SS**  trans-60.5119.6168.7-74.6-170176-1700110.4
76A37.6Very low35.8Very low28 Ų28112.7 Ų112.723%0.23161%0.609CS.*  trans-74.3137.6169.100000110.8V74 Y78 S95V74-A76 PolarHBondContact O-N 3.2Å; A76-Y78 HydrophobicContact CB-CD2 3.91Å; A76-Y78 HydrophobicContact CB-CE2 3.34Å; A76-Y78 PolarHBondContact O-N 3.32Å; A76-Y78 VanDerWaalsContact O-N 3.12Å; A76-S95 VanDerWaalsContact CB-O 3.29Å; A76-S95 WeakPolarHBondContact CB-O 3.44Å
77S38.4Very low35.7Very low66 Ų66114.7 Ų114.746%0.46263%0.632SS.*  trans-79.492.8-170.353.60000112.5
78Y44.4Very low36.2Very low35 Ų35110.6 Ų110.614%0.13762%0.624CS.*  trans-132.6160.8177.3-58.9-55.8000112.6A76 E80 C94 S95 F113A76-Y78 HydrophobicContact CB-CD2 3.91Å; A76-Y78 HydrophobicContact CB-CE2 3.34Å; A76-Y78 PolarHBondContact O-N 3.32Å; A76-Y78 VanDerWaalsContact O-N 3.12Å; Y78-E80 PolarHBondContact O-N 3.5Å; Y78-C94 HydrophobicContact CE1-CB 4.2Å; Y78-C94 VanDerWaalsContact OH-CA 3.29Å; Y78-C94 WeakPolarHBondContact OH-CA 3.37Å; Y78-C94 PolarHBondContact OH-N 3.07Å; Y78-S95 PolarHBondContact OH-N 3.48Å; Y78-S95 PolarHBondContact OH-O 2.98Å; Y78-F113 HydrophobicContact CD1-CE1 4.07Å; Y78-F113 HydrophobicContact CE1-CD1 4.39Å; Y78-F113 AromaticContact CE1-CE1 3.43Å; Y78-F113 HydrophobicContact CE1-CE1 3.43Å; Y78-F113 VanDerWaalsContact CE1-CE1 3.43Å; Y78-F113 HydrophobicContact CE1-CZ 4.03Å; Y78-F113 HydrophobicContact CE2-CE1 4.1Å; Y78-F113 HydrophobicContact CE2-CZ 4.33Å; Y78-F113 AromaticContact CZ-CE1 3.47Å; Y78-F113 VanDerWaalsContact CZ-CE1 3.47Å; Y78-F113 AromaticContact CZ-CZ 3.66Å; Y78-F113 WeakPolarHBondContact OH-CZ 3.48Å
79I36.2Very low36.5Very low79 Ų79105.3 Ų105.341%0.40561%0.606SS.*  trans-77.1112.1171.3-54.1170.6000107.9T89I79-T89 HydrophobicContact CD1-CG2 3.95Å
80E38.7Very low37.7Very low115 Ų11597.3 Ų97.354%0.53758%0.576SS.*  trans-74.2136.3164.8-75-177.5146.900109.4Y78 S82 V83Y78-E80 PolarHBondContact O-N 3.5Å; E80-S82 PolarHBondContact O-N 3.3Å; E80-V83 HydrophobicContact CB-CB 4.42Å; E80-V83 HydrophobicContact CB-CG2 3.88Å; E80-V83 PolarHBondContact O-N 3.25Å; E80-V83 WeakPolarHBondContact OE2-CG2 3.2Å
81P41.8Very low39.6Very low109 Ų10998.6 Ų98.671%0.70858%0.579SS**THydrogen-bonded Turntrans-59.7-15.7-177.8-25.834.9000115.6
82S44.3Very low42.3Very low105 Ų10595.7 Ų95.773%0.73456%0.555SS**THydrogen-bonded Turntrans-105.6-0.1-173.9510000114.8E80E80-S82 PolarHBondContact O-N 3.3Å
83V38.4Very low45.1Very low71 Ų7186.2 Ų86.243%0.4351%0.512SS..SBendtrans-107.3126.7-173.3179.30000111.9E80 V85E80-V83 HydrophobicContact CB-CB 4.42Å; E80-V83 HydrophobicContact CB-CG2 3.88Å; E80-V83 PolarHBondContact O-N 3.25Å; E80-V83 WeakPolarHBondContact OE2-CG2 3.2Å; V83-V85 PolarHBondContact O-N 2.9Å
84S36.7Very low47.9Very low112 Ų11282.7 Ų82.778%0.78348%0.482SS*.  trans-67.999.4176.756.10000112
85V31.9Very low50.5Low126 Ų12679.1 Ų79.176%0.76446%0.46SS*.  trans44.391.4164.9-170.40000115.2V83 A87V83-V85 PolarHBondContact O-N 2.9Å; V85-A87 PolarHBondContact O-N 3.5Å
86P34.3Very low52.8Low52 Ų5271.9 Ų71.934%0.33843%0.429SS..  trans-57.6135.3157.1-17.331000109.7H88P86-H88 PolarHBondContact O-N 3.07Å
87A35.8Very low55Low106 Ų10671.7 Ų71.788%0.87643%0.425SS*.SBendtrans-63.7-9.9-17700000114.7V85V85-A87 PolarHBondContact O-N 3.5Å
88H39.6Very low57.2Low170 Ų17069.8 Ų69.879%0.78741%0.409SS*.  trans-128.5115.6167.1-90.8-78.6000110.1P86P86-H88 PolarHBondContact O-N 3.07Å
89T42.8Very low59.1Low65 Ų6571.4 Ų71.440%0.39942%0.42SS..  trans-83.4122.2160.7500000108.9I79I79-T89 HydrophobicContact CD1-CG2 3.95Å
90P56.7Low61.2Low41 Ų4167.9 Ų67.927%0.26640%0.402SS..  trans-76.9126.9179.129.8-32.7000111K92P90-K92 PolarHBondContact O-N 2.82Å
91D74.3Confident62.9Low123 Ų12365.8 Ų65.866%0.65839%0.394SS*.SBendtrans-683176.9-56.8-47.5000114.1
92K87.8Confident64.1Low49 Ų4967.8 Ų67.821%0.21339%0.388CS..SBendtrans-142.5143.1-168.7-55.8-172.9171.9176.30111.5H33 P58 P90 C94 E140H33-K92 HydrophobicContact CB-CB 4.39Å; H33-K92 HydrophobicContact CB-CG 3.99Å; H33-K92 VanDerWaalsContact CE1-CE 3.45Å; H33-K92 WeakPolarHBondContact CE1-CE 3.43Å; P58-K92 VanDerWaalsContact CG-C 3.49Å; P90-K92 PolarHBondContact O-N 2.82Å; K92-C94 PolarHBondContact O-SG 3.49Å; K92-E140 WeakPolarHBondContact CD-OE2 3.39Å; K92-E140 IonicContact NZ-OE1 3.43Å; K92-E140 PolarHBondContact NZ-OE1 2.97Å; K92-E140 IonicContact NZ-OE2 3.13Å; K92-E140 PolarHBondContact NZ-OE2 3.05Å
93A88.6Confident65.1Low3 Ų369.8 Ų69.83%0.02538%0.38CS..BIsolated β-bridgetrans-72.2148.316300000109.3R31 T32 P58 F113R31-A93 CarbonylContact C-O 3.51Å; R31-A93 VanDerWaalsContact CA-O 3.23Å; R31-A93 WeakPolarHBondContact CA-O 3.36Å; T32-A93 PolarHBondContact N-O 3.09Å; T32-A93 PolarHBondContact O-N 3.5Å; P58-A93 HydrophobicContact CB-CB 4.23Å; P58-A93 HydrophobicContact CG-CB 4.28Å; P58-A93 VanDerWaalsContact CG-N 3.34Å; A93-F113 HydrophobicContact CB-CB 4.2Å; A93-F113 HydrophobicContact CB-CD1 3.59Å; A93-F113 HydrophobicContact CB-CD2 3.62Å; A93-F113 HydrophobicContact CB-CE1 3.82Å; A93-F113 HydrophobicContact CB-CE2 3.85Å; A93-F113 HydrophobicContact CB-CG 3.49Å; A93-F113 VanDerWaalsContact CB-CG 3.49Å; A93-F113 HydrophobicContact CB-CZ 3.94Å
94C88.5Confident66.3Low6 Ų671.4 Ų71.44%0.04139%0.386CS..  trans-139.720.5-158.9-70.20000115.9Q29 V30 R31 Y78 K92Q29-C94 VanDerWaalsContact CD-O 3.25Å; Q29-C94 WeakPolarHBondContact CG-O 3.38Å; Q29-C94 PolarHBondContact NE2-O 3.47Å; V30-C94 CarbonylContact O-C 3.52Å; V30-C94 WeakPolarHBondContact O-CA 3.37Å; R31-C94 HydrophobicContact CG-CB 4.37Å; Y78-C94 HydrophobicContact CE1-CB 4.2Å; Y78-C94 VanDerWaalsContact OH-CA 3.29Å; Y78-C94 WeakPolarHBondContact OH-CA 3.37Å; Y78-C94 PolarHBondContact OH-N 3.07Å; K92-C94 PolarHBondContact O-SG 3.49Å
95S89.2Confident68Low0 Ų069.1 Ų69.10%036%0.363CS..  trans42.9-153.4-175.9740000115.1V30 A76 Y78V30-S95 VanDerWaalsContact CA-OG 3.23Å; V30-S95 WeakPolarHBondContact CA-OG 3.36Å; V30-S95 PolarHBondContact N-OG 2.91Å; V30-S95 WeakPolarHBondContact O-CB 3.44Å; V30-S95 PolarHBondContact O-N 3.31Å; V30-S95 VanDerWaalsContact O-N 3.07Å; V30-S95 PolarHBondContact O-OG 3.36Å; A76-S95 VanDerWaalsContact CB-O 3.29Å; A76-S95 WeakPolarHBondContact CB-O 3.44Å; Y78-S95 PolarHBondContact OH-N 3.48Å; Y78-S95 PolarHBondContact OH-O 2.98Å
96K82.7Confident70.4Confident48 Ų4865.9 Ų65.921%0.20935%0.346CS..  trans-97.8158.6151.4-65.7162.7-174.779.40109.3L109 D111K96-L109 HydrophobicContact CB-CD2 4.46Å; K96-L109 PolarHBondContact NZ-O 3.43Å; K96-D111 WeakPolarHBondContact CG-OD2 3.32Å; K96-D111 PolarHBondContact N-OD2 2.76Å; K96-D111 VanDerWaalsContact N-OD2 3.13Å; K96-D111 IonicContact NZ-OD1 3.17Å; K96-D111 PolarHBondContact NZ-OD1 3.45Å; K96-D111 IonicContact NZ-OD2 3.52Å; K96-D111 PolarHBondContact NZ-OD2 3.25Å; K96-D111 VanDerWaalsContact NZ-OD2 3.1Å
97T84.2Confident72.8Confident25 Ų2564.6 Ų64.615%0.15334%0.34CS..EExtended strand (participates in β ladder)trans-76.5134.8167.1-50.50000109.5Y27 Y28 F152Y27-T97 HydrophobicContact CD1-CG2 4Å; Y27-T97 HydrophobicContact CG-CG2 4.31Å; Y28-T97 CarbonylContact O-C 3.6Å; Y28-T97 WeakPolarHBondContact O-CA 3.49Å; T97-F152 HydrophobicContact CG2-CE1 4.35Å; T97-F152 HydrophobicContact CG2-CE2 4.11Å; T97-F152 HydrophobicContact CG2-CZ 3.78Å
98L85Confident75.2Confident25 Ų2568.6 Ų68.613%0.13133%0.332CS..EExtended strand (participates in β ladder)trans-109.4126.3177-61.5179000109.5F17 Y27 Y28 I100 A107 L109F17-L98 HydrophobicContact CB-CD1 3.77Å; F17-L98 HydrophobicContact CD1-CD1 3.46Å; F17-L98 VanDerWaalsContact CD1-CD1 3.46Å; F17-L98 HydrophobicContact CD2-CD1 4.14Å; F17-L98 HydrophobicContact CE1-CD1 4.02Å; F17-L98 HydrophobicContact CG-CD1 3.53Å; Y27-L98 CarbonylContact C-O 3.44Å; Y27-L98 WeakPolarHBondContact CA-O 3.45Å; Y28-L98 PolarHBondContact N-O 2.84Å; Y28-L98 PolarHBondContact O-N 3.02Å; L98-I100 HydrophobicContact CB-CD1 4.36Å; L98-A107 HydrophobicContact CD1-CB 3.91Å; L98-A107 HydrophobicContact CD2-CB 3.65Å; L98-A107 HydrophobicContact CG-CB 4.4Å; L98-L109 HydrophobicContact CD1-CD2 4.02Å; L98-L109 HydrophobicContact CD2-CD2 3.95Å; L98-L109 HydrophobicContact CG-CD2 4.07Å
99L83.7Confident77.5Confident69 Ų6960.6 Ų60.636%0.36130%0.295SS..EExtended strand (participates in β ladder)trans-87.6117.3165.8177.256.7000108.1Y27 I101Y27-L99 HydrophobicContact CD1-CB 4.06Å; Y27-L99 HydrophobicContact CD1-CD1 4.15Å; Y27-L99 HydrophobicContact CD2-CD1 4.47Å; Y27-L99 HydrophobicContact CE1-CB 3.93Å; Y27-L99 HydrophobicContact CE1-CD1 3.89Å; Y27-L99 HydrophobicContact CE1-CD2 4.17Å; Y27-L99 HydrophobicContact CE1-CG 4.2Å; Y27-L99 HydrophobicContact CE2-CD1 4.22Å; Y27-L99 HydrophobicContact CG-CD1 4.42Å; L99-I101 HydrophobicContact CD1-CG1 4.4Å; L99-I101 HydrophobicContact CD2-CD1 4.02Å; L99-I101 HydrophobicContact CD2-CG1 4.27Å; L99-I101 HydrophobicContact CG-CD1 4.12Å; L99-I101 HydrophobicContact CG-CG1 3.84Å
100I81.2Confident79.6Confident6 Ų659.9 Ų59.93%0.03129%0.292CS..EExtended strand (participates in β ladder)trans-102.9120.8177.3-58.9-61.2000108.5F17 N19 G26 Y28 L98F17-I100 HydrophobicContact CE1-CD1 4.1Å; N19-I100 VanDerWaalsContact ND2-CG2 3.3Å; N19-I100 WeakPolarHBondContact ND2-CG2 3.22Å; G26-I100 PolarHBondContact N-O 3.49Å; G26-I100 PolarHBondContact O-N 2.99Å; Y28-I100 HydrophobicContact CD2-CB 3.92Å; Y28-I100 HydrophobicContact CD2-CG1 3.57Å; Y28-I100 HydrophobicContact CE2-CB 4.04Å; Y28-I100 HydrophobicContact CE2-CG1 4.11Å; Y28-I100 HydrophobicContact CG-CG1 4.39Å; L98-I100 HydrophobicContact CB-CD1 4.36Å
101I72.9Confident81.1Confident71 Ų7158 Ų5836%0.36428%0.28SS..  trans-117-32.9-173.9-51.8-179.9000110.6R25 L99 E105R25-I101 PolarHBondContact NE-O 2.8Å; R25-I101 PolarHBondContact NH2-O 3.45Å; L99-I101 HydrophobicContact CD1-CG1 4.4Å; L99-I101 HydrophobicContact CD2-CD1 4.02Å; L99-I101 HydrophobicContact CD2-CG1 4.27Å; L99-I101 HydrophobicContact CG-CD1 4.12Å; L99-I101 HydrophobicContact CG-CG1 3.84Å; I101-E105 PolarHBondContact N-OE2 2.93Å
102Y67.1Low82Confident150 Ų15052.7 Ų52.759%0.58825%0.252SS*.SBendtrans-126.1164-176.8-54.3-81.3000111.2N19 E105N19-Y102 PolarHBondContact ND2-O 2.89Å; Y102-E105 PolarHBondContact N-OE2 3.44Å; Y102-E105 WeakPolarHBondContact O-CG 3.3Å
103R65.7Low82.2Confident147 Ų14750.6 Ų50.656%0.55524%0.243SC*.THydrogen-bonded Turntrans-75.3162.6170.4-65.7-178.8-176.4178.33.5110.3D21 E105D21-R103 WeakPolarHBondContact OD1-CD 3.37Å; D21-R103 IonicContact OD1-CZ 3.33Å; D21-R103 IonicContact OD1-NE 3.07Å; D21-R103 PolarHBondContact OD1-NE 2.61Å; D21-R103 VanDerWaalsContact OD1-NE 3.07Å; D21-R103 IonicContact OD1-NH1 3.55Å; R103-E105 PolarHBondContact O-N 3.34Å; R103-E105 VanDerWaalsContact O-N 3.07Å
104D63.4Low82.3Confident105 Ų10551 Ų5156%0.56125%0.245SC*.THydrogen-bonded Turntrans59.713.7179.3-55.3-70.9000115.8N19 S106N19-D104 WeakPolarHBondContact O-CA 3.39Å; D104-S106 PolarHBondContact O-N 3.43Å
105E72.5Confident82.5Confident65 Ų6551.3 Ų51.330%0.30425%0.245SC..  trans-72.4118.8177.7-67.2-167.5116.500112.3N19 I101 Y102 R103N19-E105 HydrophobicContact CB-CB 4.39Å; N19-E105 WeakPolarHBondContact CB-O 3.3Å; N19-E105 PolarHBondContact N-O 3.2Å; I101-E105 PolarHBondContact N-OE2 2.93Å; Y102-E105 PolarHBondContact N-OE2 3.44Å; Y102-E105 WeakPolarHBondContact O-CG 3.3Å; R103-E105 PolarHBondContact O-N 3.34Å; R103-E105 VanDerWaalsContact O-N 3.07Å
106S83.2Confident82.6Confident57 Ų5754.5 Ų54.540%0.39926%0.257SS..EExtended strand (participates in β ladder)trans-105.2128.7172.3-63.90000111.7F17 H18 D104F17-S106 CarbonylContact O-C 3.52Å; F17-S106 VanDerWaalsContact O-CA 3.25Å; F17-S106 WeakPolarHBondContact O-CA 3.32Å; H18-S106 PolarHBondContact ND1-OG 2.73Å; D104-S106 PolarHBondContact O-N 3.43Å
107A85.1Confident83.1Confident26 Ų2652.3 Ų52.322%0.21525%0.248CC..EExtended strand (participates in β ladder)trans-123.4132.2-174.400000112.3F17 L98 L109F17-A107 PolarHBondContact N-O 3.04Å; F17-A107 PolarHBondContact O-N 2.86Å; L98-A107 HydrophobicContact CD1-CB 3.91Å; L98-A107 HydrophobicContact CD2-CB 3.65Å; L98-A107 HydrophobicContact CG-CB 4.4Å; A107-L109 PolarHBondContact O-N 3.22Å
108R85.6Confident83.4Confident189 Ų18951.7 Ų51.771%0.71324%0.244SC*.EExtended strand (participates in β ladder)trans-80.9110177.7-62.9-129.4165.4123.43.3110.6D16D16-R108 WeakPolarHBondContact OD1-CD 3.34Å; D16-R108 WeakPolarHBondContact OD1-CG 3.2Å; D16-R108 IonicContact OD1-NE 3.61Å; D16-R108 PolarHBondContact OD1-NE 3.04Å; D16-R108 VanDerWaalsContact OD1-NE 3.15Å
109L87.1Confident83.6Confident2 Ų250.7 Ų50.71%0.0124%0.239CC..EExtended strand (participates in β ladder)trans-76.4-57.4172.1-66.6178.5000109.9L14 R15 F17 K96 L98 A107 D111 I191L14-L109 HydrophobicContact CB-CB 4.36Å; L14-L109 HydrophobicContact CB-CD1 4.11Å; L14-L109 WeakPolarHBondContact O-CB 3.24Å; R15-L109 WeakPolarHBondContact O-CA 3.35Å; R15-L109 PolarHBondContact O-N 3.21Å; F17-L109 HydrophobicContact CB-CD1 4.2Å; F17-L109 HydrophobicContact CB-CG 4.27Å; K96-L109 HydrophobicContact CB-CD2 4.46Å; K96-L109 PolarHBondContact NZ-O 3.43Å; L98-L109 HydrophobicContact CD1-CD2 4.02Å; L98-L109 HydrophobicContact CD2-CD2 3.95Å; L98-L109 HydrophobicContact CG-CD2 4.07Å; A107-L109 PolarHBondContact O-N 3.22Å; L109-D111 PolarHBondContact O-N 3.21Å; L109-I191 HydrophobicContact CD1-CD1 3.78Å; L109-I191 HydrophobicContact CD1-CG1 4.46Å
110C87.6Confident83.8Confident51 Ų5148.8 Ų48.835%0.34523%0.228SC..EExtended strand (participates in β ladder)trans5034.4-175.6-62.40000113.9L14 R15 L339L14-C110 CarbonylContact O-C 3.48Å; L14-C110 WeakPolarHBondContact O-CA 3.42Å; L14-C110 PolarHBondContact O-N 2.65Å; R15-C110 PolarHBondContact O-N 3.09Å; C110-L339 HydrophobicContact CB-CD2 3.78Å
111D88.4Confident84.1Confident2 Ų248.6 Ų48.61%0.01123%0.227CC..EExtended strand (participates in β ladder)trans-97.8133.8178.8-68-57.9000110.3L14 R60 K96 L109 F113L14-D111 HydrophobicContact CB-CB 4.47Å; L14-D111 PolarHBondContact N-O 3.02Å; L14-D111 PolarHBondContact O-N 3.35Å; R60-D111 IonicContact NH2-OD1 2.71Å; K96-D111 WeakPolarHBondContact CG-OD2 3.32Å; K96-D111 PolarHBondContact N-OD2 2.76Å; K96-D111 VanDerWaalsContact N-OD2 3.13Å; K96-D111 IonicContact NZ-OD1 3.17Å; K96-D111 PolarHBondContact NZ-OD1 3.45Å; K96-D111 IonicContact NZ-OD2 3.52Å; K96-D111 PolarHBondContact NZ-OD2 3.25Å; K96-D111 VanDerWaalsContact NZ-OD2 3.1Å; L109-D111 PolarHBondContact O-N 3.21Å; D111-F113 HydrophobicContact CB-CE2 3.72Å; D111-F113 HydrophobicContact CB-CZ 3.74Å
112V92Very high84.7Confident11 Ų1146.5 Ų46.57%0.06722%0.216CC..EExtended strand (participates in β ladder)trans-130136.6-171.7-170.60000110.6V11 V12 E13 W61 T338 L339V11-V112 HydrophobicContact CG1-CG1 3.53Å; V12-V112 WeakPolarHBondContact O-CA 3.4Å; E13-V112 HydrophobicContact CB-CG2 4.34Å; E13-V112 HydrophobicContact CG-CG2 4.16Å; W61-V112 HydrophobicContact CB-CB 3.96Å; W61-V112 HydrophobicContact CB-CG1 3.7Å; W61-V112 WeakPolarHBondContact CB-O 3.43Å; W61-V112 HydrophobicContact CG-CG1 3.93Å; W61-V112 PolarHBondContact N-O 3.23Å; V112-T338 HydrophobicContact CG1-CG2 4.08Å; V112-L339 HydrophobicContact CG2-CD1 4.25Å; V112-L339 HydrophobicContact CG2-CD2 4.11Å; V112-L339 HydrophobicContact CG2-CG 4.11Å
113F92.1Very high85.5Confident4 Ų439.3 Ų39.32%0.01819%0.188CC..EExtended strand (participates in β ladder)trans-133.5138-171.9-54.1-78.4000111.7V11 V12 L14 T59 Y78 A93 D111V11-F113 CarbonylContact C-O 3.16Å; V11-F113 VanDerWaalsContact CA-O 3.23Å; V11-F113 WeakPolarHBondContact CA-O 3.49Å; V12-F113 PolarHBondContact N-O 2.88Å; V12-F113 PolarHBondContact O-N 3.05Å; L14-F113 HydrophobicContact CD1-CD2 4.49Å; L14-F113 HydrophobicContact CD1-CE2 3.74Å; L14-F113 HydrophobicContact CG-CD2 4.32Å; L14-F113 HydrophobicContact CG-CE2 3.9Å; T59-F113 CarbonylContact O-C 3.48Å; T59-F113 WeakPolarHBondContact O-CA 3.41Å; Y78-F113 HydrophobicContact CD1-CE1 4.07Å; Y78-F113 HydrophobicContact CE1-CD1 4.39Å; Y78-F113 AromaticContact CE1-CE1 3.43Å; Y78-F113 HydrophobicContact CE1-CE1 3.43Å; Y78-F113 VanDerWaalsContact CE1-CE1 3.43Å; Y78-F113 HydrophobicContact CE1-CZ 4.03Å; Y78-F113 HydrophobicContact CE2-CE1 4.1Å; Y78-F113 HydrophobicContact CE2-CZ 4.33Å; Y78-F113 AromaticContact CZ-CE1 3.47Å; Y78-F113 VanDerWaalsContact CZ-CE1 3.47Å; Y78-F113 AromaticContact CZ-CZ 3.66Å; Y78-F113 WeakPolarHBondContact OH-CZ 3.48Å; A93-F113 HydrophobicContact CB-CB 4.2Å; A93-F113 HydrophobicContact CB-CD1 3.59Å; A93-F113 HydrophobicContact CB-CD2 3.62Å; A93-F113 HydrophobicContact CB-CE1 3.82Å; A93-F113 HydrophobicContact CB-CE2 3.85Å; A93-F113 HydrophobicContact CB-CG 3.49Å; A93-F113 VanDerWaalsContact CB-CG 3.49Å; A93-F113 HydrophobicContact CB-CZ 3.94Å; D111-F113 HydrophobicContact CB-CE2 3.72Å; D111-F113 HydrophobicContact CB-CZ 3.74Å
114E91.9Very high86.3Confident13 Ų1335.5 Ų35.56%0.06118%0.178CC..EExtended strand (participates in β ladder)trans-96.6134.3165.3176.6-178.4177.100108.8L10 V11 P58 T59 W61 R116 K331L10-E114 CarbonylContact O-C 3.6Å; L10-E114 WeakPolarHBondContact O-CA 3.4Å; V11-E114 HydrophobicContact CG2-CB 4.49Å; P58-E114 WeakPolarHBondContact CA-O 3.37Å; T59-E114 PolarHBondContact N-O 3.24Å; T59-E114 PolarHBondContact O-N 3.37Å; T59-E114 PolarHBondContact OG1-O 3.04Å; W61-E114 HydrophobicContact CE3-CB 3.81Å; W61-E114 HydrophobicContact CZ3-CB 4.13Å; W61-E114 HydrophobicContact CZ3-CG 4.35Å; W61-E114 WeakPolarHBondContact CZ3-OE2 3.47Å; E114-R116 IonicContact OE1-CZ 3.52Å; E114-R116 IonicContact OE1-NE 2.83Å; E114-R116 PolarHBondContact OE1-NE 3.09Å; E114-R116 IonicContact OE1-NH2 3.82Å; E114-R116 PolarHBondContact OE1-NH2 3.39Å; E114-R116 IonicContact OE2-NH2 3.62Å; E114-K331 IonicContact OE1-NZ 3.5Å; E114-K331 IonicContact OE2-NZ 2.68Å
115Q91.4Very high87.2Confident11 Ų1133.3 Ų33.35%0.05117%0.166CC..EExtended strand (participates in β ladder)trans-138.9140.7170.5-160.7167.725.900109.1L10 L34 V55 E56 P58L10-Q115 PolarHBondContact N-O 3.1Å; L10-Q115 PolarHBondContact O-N 3.13Å; L10-Q115 VanDerWaalsContact O-O 3.12Å; L34-Q115 HydrophobicContact CD1-CB 4.01Å; L34-Q115 HydrophobicContact CD1-CG 4.15Å; V55-Q115 HydrophobicContact CG1-CG 3.92Å; V55-Q115 VanDerWaalsContact CG1-NE2 3.3Å; E56-Q115 WeakPolarHBondContact O-CG 3.17Å; E56-Q115 PolarHBondContact O-NE2 3.48Å; P58-Q115 HydrophobicContact CB-CB 4.37Å; P58-Q115 HydrophobicContact CB-CG 4.27Å
116R92.6Very high87.8Confident68 Ų6830.2 Ų30.226%0.25715%0.152SC..EExtended strand (participates in β ladder)trans-117.6149.1-178.8-49.7-169.1-165.2105.26.2111.4T7 L8 E56 E114T7-R116 HydrophobicContact CG2-CB 4.22Å; L8-R116 CarbonylContact O-C 3.48Å; L8-R116 VanDerWaalsContact O-CA 3.29Å; L8-R116 WeakPolarHBondContact O-CA 3.19Å; E56-R116 HydrophobicContact CB-CB 4.35Å; E56-R116 HydrophobicContact CG-CB 4.19Å; E56-R116 PolarHBondContact N-O 2.99Å; E56-R116 IonicContact OE1-NH1 2.77Å; E56-R116 WeakPolarHBondContact OE2-CB 3.31Å; E56-R116 WeakPolarHBondContact OE2-CD 3.35Å; E56-R116 WeakPolarHBondContact OE2-CG 3.35Å; E56-R116 IonicContact OE2-CZ 3.25Å; E56-R116 IonicContact OE2-NE 2.7Å; E56-R116 IonicContact OE2-NH1 2.62Å; E56-R116 PolarHBondContact OE2-NH1 3.5Å; E114-R116 IonicContact OE1-CZ 3.52Å; E114-R116 IonicContact OE1-NE 2.83Å; E114-R116 PolarHBondContact OE1-NE 3.09Å; E114-R116 IonicContact OE1-NH2 3.82Å; E114-R116 PolarHBondContact OE1-NH2 3.39Å; E114-R116 IonicContact OE2-NH2 3.62Å
117V91.7Very high87.7Confident2 Ų230.4 Ų30.41%0.01215%0.146CC..EExtended strand (participates in β ladder)trans-120.4120.2174.9-169.20000108.1T7 L8 L10 L34 T36 A53 F54 V55 V119 L135T7-V117 WeakPolarHBondContact CA-O 3.34Å; L8-V117 HydrophobicContact CB-CB 4.38Å; L8-V117 PolarHBondContact N-O 2.83Å; L8-V117 PolarHBondContact O-N 3.29Å; L10-V117 HydrophobicContact CD1-CG2 4.05Å; L34-V117 HydrophobicContact CD1-CG2 3.94Å; T36-V117 HydrophobicContact CG2-CG1 3.94Å; A53-V117 HydrophobicContact CB-CG1 4.26Å; F54-V117 CarbonylContact O-C 3.48Å; F54-V117 VanDerWaalsContact O-CA 3.29Å; F54-V117 WeakPolarHBondContact O-CA 3.23Å; F54-V117 WeakPolarHBondContact O-CG1 3.12Å; V55-V117 HydrophobicContact CG2-CG1 4.41Å; V55-V117 HydrophobicContact CG2-CG2 4.41Å; V117-V119 HydrophobicContact CG1-CG2 3.82Å; V117-L135 HydrophobicContact CG2-CD1 3.88Å; V117-L135 HydrophobicContact CG2-CD2 4.44Å
118L91.8Very high87.6Confident12 Ų1234.6 Ų34.66%0.06316%0.161CC..EExtended strand (participates in β ladder)trans-100106.9177.5-55.2-178.4000108.4Q5 T7 A53 F54 I207Q5-L118 HydrophobicContact CG-CB 4.14Å; T7-L118 HydrophobicContact CG2-CD2 3.81Å; T7-L118 VanDerWaalsContact OG1-CD2 3.23Å; T7-L118 WeakPolarHBondContact OG1-CD2 3.15Å; A53-L118 WeakPolarHBondContact CA-O 3.33Å; F54-L118 HydrophobicContact CB-CB 4.39Å; F54-L118 HydrophobicContact CD1-CD1 4.18Å; F54-L118 PolarHBondContact N-O 2.9Å; F54-L118 PolarHBondContact O-N 2.86Å; L118-I207 HydrophobicContact CD1-CD1 4.19Å
119V88.9Confident87.4Confident4 Ų426.2 Ų26.22%0.02413%0.132CC..EExtended strand (participates in β ladder)trans-108.6128.8-175.4-1680000110.4Q5 A6 A53 V117 V121 L130 N133Q5-V119 CarbonylContact C-O 3.58Å; Q5-V119 WeakPolarHBondContact CA-O 3.33Å; A6-V119 PolarHBondContact N-O 3.19Å; A6-V119 PolarHBondContact O-N 3.14Å; A53-V119 HydrophobicContact CB-CB 4.39Å; A53-V119 HydrophobicContact CB-CG1 4.15Å; A53-V119 HydrophobicContact CB-CG2 3.95Å; V117-V119 HydrophobicContact CG1-CG2 3.82Å; V119-V121 HydrophobicContact CB-CG1 4.11Å; V119-V121 HydrophobicContact CG1-CG1 3.65Å; V119-L130 HydrophobicContact CB-CD2 3.58Å; V119-L130 HydrophobicContact CG1-CD2 3.89Å; V119-L130 HydrophobicContact CG2-CD2 3.71Å; V119-N133 HydrophobicContact CG1-CB 3.94Å; V119-N133 VanDerWaalsContact CG1-CG 3.47Å; V119-N133 WeakPolarHBondContact CG1-ND2 3.42Å
120Q87.6Confident87.2Confident29 Ų2926.7 Ų26.714%0.13613%0.134CC..EExtended strand (participates in β ladder)trans-78.2120.3169.5-61.1176.227.400109I4 S52 I206I4-Q120 WeakPolarHBondContact O-CA 3.42Å; S52-Q120 WeakPolarHBondContact O-CB 3.42Å; S52-Q120 PolarHBondContact O-N 3.38Å; Q120-I206 HydrophobicContact CG-CD1 4.05Å; Q120-I206 HydrophobicContact CG-CG2 4.02Å
121V87.1Confident86.8Confident1 Ų128.6 Ų28.61%0.00614%0.144CC..EExtended strand (participates in β ladder)trans-135.6155.1-172.8-61.90000112I4 A6 V119 L126 L130I4-V121 HydrophobicContact CD1-CG2 4.07Å; I4-V121 HydrophobicContact CG1-CG2 3.7Å; I4-V121 WeakPolarHBondContact CG1-O 3.23Å; I4-V121 PolarHBondContact N-O 2.85Å; I4-V121 PolarHBondContact O-N 2.8Å; A6-V121 HydrophobicContact CB-CG2 3.99Å; V119-V121 HydrophobicContact CB-CG1 4.11Å; V119-V121 HydrophobicContact CG1-CG1 3.65Å; V121-L126 HydrophobicContact CG2-CD1 4.48Å; V121-L126 HydrophobicContact CG2-CG 4.05Å; V121-L130 HydrophobicContact CG1-CD2 3.81Å; V121-L130 HydrophobicContact CG1-CG 3.99Å
122D85.7Confident86.4Confident27 Ų2736 Ų3614%0.14417%0.172CC..  trans-72.9126.2170.1-179.8-9.7000109.3I124 N125 L126 S129D122-I124 PolarHBondContact O-N 2.99Å; D122-I124 WeakPolarHBondContact OD1-CB 3.42Å; D122-I124 WeakPolarHBondContact OD1-CG1 3.33Å; D122-I124 PolarHBondContact OD1-N 3.08Å; D122-N125 HydrophobicContact CB-CB 4.22Å; D122-N125 CarbonylContact O-C 3.54Å; D122-N125 PolarHBondContact O-N 3.19Å; D122-N125 PolarHBondContact OD2-ND2 3.37Å; D122-L126 WeakPolarHBondContact O-CA 3.49Å; D122-L126 PolarHBondContact O-N 3.19Å; D122-S129 PolarHBondContact N-OG 2.9Å
123P84.8Confident85.8Confident0 Ų036.8 Ų36.80%018%0.176CC..SBendtrans-65.7-15.4177.627.9-36.1000114.7P2 I4 I252 H255P2-P123 HydrophobicContact CG-CG 4.26Å; I4-P123 HydrophobicContact CD1-CB 3.81Å; I4-P123 HydrophobicContact CG1-CB 4.06Å; I4-P123 HydrophobicContact CG2-CB 4.19Å; I4-P123 HydrophobicContact CG2-CG 4.46Å; P123-I252 HydrophobicContact CB-CD1 4.09Å; P123-I252 HydrophobicContact CB-CG2 4.16Å; P123-I252 HydrophobicContact CG-CD1 4.02Å; P123-H255 PolarHBondContact O-CD2 2.88Å
124I82.6Confident85.4Confident66 Ų6638.8 Ų38.834%0.33819%0.187SC..SBendtrans-82.2-44.9173-46.4163.6000110.5D122 F248 I252 H255D122-I124 PolarHBondContact O-N 2.99Å; D122-I124 WeakPolarHBondContact OD1-CB 3.42Å; D122-I124 WeakPolarHBondContact OD1-CG1 3.33Å; D122-I124 PolarHBondContact OD1-N 3.08Å; I124-F248 HydrophobicContact CD1-CE2 3.89Å; I124-F248 HydrophobicContact CD1-CZ 3.6Å; I124-F248 HydrophobicContact CG1-CE2 4.07Å; I124-F248 HydrophobicContact CG1-CZ 3.63Å; I124-I252 HydrophobicContact CG1-CD1 4.47Å; I124-H255 PolarHBondContact O-NE2 2.95Å
125N82.1Confident85.4Confident59 Ų5938.7 Ų38.732%0.31619%0.186SC..SBendtrans-112.445.9-167-59.7-61.2000110D122 E127 S129D122-N125 HydrophobicContact CB-CB 4.22Å; D122-N125 CarbonylContact O-C 3.54Å; D122-N125 PolarHBondContact O-N 3.19Å; D122-N125 PolarHBondContact OD2-ND2 3.37Å; N125-E127 PolarHBondContact O-N 3Å; N125-S129 WeakPolarHBondContact O-CB 3.49Å; N125-S129 PolarHBondContact O-N 3.49Å; N125-S129 PolarHBondContact O-OG 3.43Å
126L84.4Confident85.5Confident0 Ų040.1 Ų40.10%019%0.192CC..Hα-helixtrans-63.7-48.1-165.4-170.7157.2000111.7I4 V121 D122 S129 L130 P171 I202 L256 I259I4-L126 HydrophobicContact CD1-CD1 3.93Å; V121-L126 HydrophobicContact CG2-CD1 4.48Å; V121-L126 HydrophobicContact CG2-CG 4.05Å; D122-L126 WeakPolarHBondContact O-CA 3.49Å; D122-L126 PolarHBondContact O-N 3.19Å; L126-S129 PolarHBondContact O-N 3.25Å; L126-L130 HydrophobicContact CD2-CD1 3.61Å; L126-L130 HydrophobicContact CD2-CG 4.23Å; L126-L130 PolarHBondContact O-N 3.07Å; L126-P171 HydrophobicContact CD2-CB 4.48Å; L126-I202 HydrophobicContact CD1-CD1 3.74Å; L126-L256 HydrophobicContact CD1-CD2 3.51Å; L126-I259 HydrophobicContact CB-CD1 4.07Å; L126-I259 HydrophobicContact CD2-CD1 4.15Å; L126-I259 HydrophobicContact CD2-CG2 4.42Å; L126-I259 HydrophobicContact CG-CD1 4.48Å
127E81.5Confident85.6Confident62 Ų6236.9 Ų36.929%0.2918%0.18SC..Hα-helixtrans-65.8-46.5-178.5-62.4-157.7120.800112N125 S129 L130 V131 P171 S172 I259N125-E127 PolarHBondContact O-N 3Å; E127-S129 VanDerWaalsContact C-N 3.27Å; E127-S129 PolarHBondContact O-N 2.96Å; E127-L130 PolarHBondContact O-N 3.35Å; E127-V131 WeakPolarHBondContact O-CB 3.47Å; E127-V131 WeakPolarHBondContact O-CG2 3.17Å; E127-V131 PolarHBondContact O-N 2.95Å; E127-P171 HydrophobicContact CB-CG 4.36Å; E127-P171 HydrophobicContact CG-CB 4.37Å; E127-P171 HydrophobicContact CG-CG 4.15Å; E127-S172 WeakPolarHBondContact OE1-CB 3.22Å; E127-S172 PolarHBondContact OE1-N 2.88Å; E127-S172 PolarHBondContact OE1-OG 3.46Å; E127-I259 HydrophobicContact CG-CD1 3.71Å; E127-I259 HydrophobicContact CG-CG1 4.32Å
128E82.2Confident85.8Confident113 Ų11336.8 Ų36.853%0.52818%0.18SC..Hα-helixtrans-61-36174.2-62.5-173.1177.300112.8R132E128-R132 WeakPolarHBondContact O-CB 3.39Å; E128-R132 WeakPolarHBondContact O-CG 3.4Å; E128-R132 PolarHBondContact O-N 3.29Å; E128-R132 PolarHBondContact O-NE 2.84Å; E128-R132 VanDerWaalsContact O-NE 3.15Å; E128-R132 IonicContact OE2-CZ 3.9Å; E128-R132 IonicContact OE2-NH2 2.78Å; E128-R132 PolarHBondContact OE2-NH2 3.47Å
129S81.4Confident86Confident13 Ų1336.2 Ų36.29%0.09118%0.177CC..Hα-helixtrans-69.4-38.9179.2-62.80000111.2D122 N125 L126 E127 N133D122-S129 PolarHBondContact N-OG 2.9Å; N125-S129 WeakPolarHBondContact O-CB 3.49Å; N125-S129 PolarHBondContact O-N 3.49Å; N125-S129 PolarHBondContact O-OG 3.43Å; L126-S129 PolarHBondContact O-N 3.25Å; E127-S129 VanDerWaalsContact C-N 3.27Å; E127-S129 PolarHBondContact O-N 2.96Å; S129-N133 PolarHBondContact O-N 2.89Å; S129-N133 PolarHBondContact O-ND2 3.24Å
130L83.3Confident86.3Confident12 Ų1236.2 Ų36.26%0.06318%0.177CC..Hα-helixtrans-67.4-46.6172.7-76.6-180000111.4A6 L8 V119 V121 L126 E127 R132 N133 P171 L199A6-L130 HydrophobicContact CB-CD1 4.25Å; A6-L130 HydrophobicContact CB-CD2 4.11Å; L8-L130 HydrophobicContact CD2-CD1 4.29Å; V119-L130 HydrophobicContact CB-CD2 3.58Å; V119-L130 HydrophobicContact CG1-CD2 3.89Å; V119-L130 HydrophobicContact CG2-CD2 3.71Å; V121-L130 HydrophobicContact CG1-CD2 3.81Å; V121-L130 HydrophobicContact CG1-CG 3.99Å; L126-L130 HydrophobicContact CD2-CD1 3.61Å; L126-L130 HydrophobicContact CD2-CG 4.23Å; L126-L130 PolarHBondContact O-N 3.07Å; E127-L130 PolarHBondContact O-N 3.35Å; L130-R132 VanDerWaalsContact C-N 3.3Å; L130-R132 PolarHBondContact O-N 3.4Å; L130-N133 PolarHBondContact O-N 3.35Å; L130-P171 HydrophobicContact CB-CG 3.77Å; L130-P171 HydrophobicContact CD1-CB 3.7Å; L130-P171 HydrophobicContact CD1-CG 3.36Å; L130-P171 HydrophobicContact CG-CG 4.15Å; L130-L199 HydrophobicContact CD1-CD1 4.23Å
131V79.7Confident86.6Confident91 Ų9134.9 Ų34.955%0.55217%0.17SC*.Hα-helixtrans-65.5-31.6179.4173.20000112.3E127 N133E127-V131 WeakPolarHBondContact O-CB 3.47Å; E127-V131 WeakPolarHBondContact O-CG2 3.17Å; E127-V131 PolarHBondContact O-N 2.95Å; V131-N133 PolarHBondContact O-N 2.91Å
132R79.9Confident86.9Confident159 Ų15937 Ų3760%0.618%0.178SC*.THydrogen-bonded Turntrans-68.7-16.1171.9-80.6180-92.7174.9-12.3114.2E128 L130 D134E128-R132 WeakPolarHBondContact O-CB 3.39Å; E128-R132 WeakPolarHBondContact O-CG 3.4Å; E128-R132 PolarHBondContact O-N 3.29Å; E128-R132 PolarHBondContact O-NE 2.84Å; E128-R132 VanDerWaalsContact O-NE 3.15Å; E128-R132 IonicContact OE2-CZ 3.9Å; E128-R132 IonicContact OE2-NH2 2.78Å; E128-R132 PolarHBondContact OE2-NH2 3.47Å; L130-R132 VanDerWaalsContact C-N 3.3Å; L130-R132 PolarHBondContact O-N 3.4Å; R132-D134 PolarHBondContact O-N 2.99Å
133N78.9Confident87.2Confident27 Ų2736.8 Ų36.814%0.14418%0.176CC..SBendtrans-93.879.9174.7-80.7-94.9000109.9S52 V119 S129 L130 V131 L135S52-N133 WeakPolarHBondContact CB-OD1 3.38Å; S52-N133 PolarHBondContact OG-OD1 3.34Å; V119-N133 HydrophobicContact CG1-CB 3.94Å; V119-N133 VanDerWaalsContact CG1-CG 3.47Å; V119-N133 WeakPolarHBondContact CG1-ND2 3.42Å; S129-N133 PolarHBondContact O-N 2.89Å; S129-N133 PolarHBondContact O-ND2 3.24Å; L130-N133 PolarHBondContact O-N 3.35Å; V131-N133 PolarHBondContact O-N 2.91Å; N133-L135 PolarHBondContact O-N 2.59Å
134D84.4Confident87.4Confident46 Ų4637.9 Ų37.925%0.24618%0.183CC..  trans-46.6121.8179.2-94.6-30.9000112.4T36 G37 R132 F136 R166T36-D134 CarbonylContact C-O 3.45Å; T36-D134 WeakPolarHBondContact CA-O 3.45Å; G37-D134 PolarHBondContact N-O 3.5Å; R132-D134 PolarHBondContact O-N 2.99Å; D134-F136 HydrophobicContact CB-CE2 3.76Å; D134-F136 HydrophobicContact CB-CZ 4.3Å; D134-R166 IonicContact OD1-CZ 2.85Å; D134-R166 IonicContact OD1-NE 3.67Å; D134-R166 PolarHBondContact OD1-NE 3.06Å; D134-R166 IonicContact OD1-NH2 3.96Å; D134-R166 PolarHBondContact OD1-NH2 2.93Å; D134-R166 IonicContact OD2-CZ 3.83Å; D134-R166 IonicContact OD2-NE 2.99Å; D134-R166 IonicContact OD2-NH2 3.65Å; D134-R166 PolarHBondContact OD2-NH2 3.24Å
135L91.3Very high87.5Confident10 Ų1041.2 Ų41.25%0.05220%0.197CC..EExtended strand (participates in β ladder)trans-105.3134.2178.5-175.462.2000110.2L10 L34 T36 V117 N133 R166 I167L10-L135 HydrophobicContact CD1-CD2 4.35Å; L10-L135 HydrophobicContact CD2-CD2 3.91Å; L34-L135 HydrophobicContact CB-CD1 4.3Å; L34-L135 HydrophobicContact CD2-CD1 4.25Å; L34-L135 HydrophobicContact CD2-CG 4.38Å; T36-L135 HydrophobicContact CG2-CD1 4.09Å; V117-L135 HydrophobicContact CG2-CD1 3.88Å; V117-L135 HydrophobicContact CG2-CD2 4.44Å; N133-L135 PolarHBondContact O-N 2.59Å; L135-R166 WeakPolarHBondContact O-CA 3.25Å; L135-I167 HydrophobicContact CB-CB 4.28Å; L135-I167 HydrophobicContact CD2-CB 4.29Å; L135-I167 HydrophobicContact CD2-CD1 4.11Å; L135-I167 HydrophobicContact CD2-CG2 4.17Å; L135-I167 HydrophobicContact CG-CB 4.27Å; L135-I167 HydrophobicContact CG-CD1 4.09Å; L135-I167 PolarHBondContact O-N 3.48Å
136F93.7Very high87.2Confident41 Ų4141.4 Ų41.418%0.1820%0.198CC..EExtended strand (participates in β ladder)trans-125.5138.4176.6-61.3-92.9000110.7L34 K35 D134 L165 R166L34-F136 CarbonylContact C-O 3.48Å; L34-F136 VanDerWaalsContact CA-O 3.29Å; L34-F136 WeakPolarHBondContact CA-O 3.21Å; K35-F136 HydrophobicContact CB-CB 4.44Å; K35-F136 PolarHBondContact N-O 2.94Å; K35-F136 PolarHBondContact O-N 2.94Å; D134-F136 HydrophobicContact CB-CE2 3.76Å; D134-F136 HydrophobicContact CB-CZ 4.3Å; F136-L165 CarbonylContact C-O 3.34Å; F136-L165 VanDerWaalsContact CA-O 3.26Å; F136-L165 WeakPolarHBondContact CA-O 3.45Å; F136-R166 HydrophobicContact CD1-CB 3.88Å; F136-R166 HydrophobicContact CD1-CG 4.32Å; F136-R166 HydrophobicContact CE1-CB 3.71Å; F136-R166 HydrophobicContact CE1-CG 3.9Å; F136-R166 HydrophobicContact CZ-CG 4.26Å
137L95.3Very high86.3Confident1 Ų143.2 Ų43.21%0.00521%0.209CC..EExtended strand (participates in β ladder)trans-99.5107.7161.7174.761.7000108.2V12 L34 V139 L165 I167V12-L137 HydrophobicContact CG1-CD2 4.33Å; L34-L137 HydrophobicContact CD2-CB 3.97Å; L34-L137 HydrophobicContact CD2-CD1 4.13Å; L137-V139 HydrophobicContact CD2-CG2 4.49Å; L137-V139 HydrophobicContact CG-CG2 4.08Å; L137-L165 HydrophobicContact CB-CB 4.26Å; L137-L165 HydrophobicContact CB-CD1 4.39Å; L137-L165 HydrophobicContact CD2-CD1 4.09Å; L137-L165 HydrophobicContact CG-CD1 4.22Å; L137-L165 PolarHBondContact N-O 2.95Å; L137-L165 WeakPolarHBondContact O-CB 3.31Å; L137-L165 PolarHBondContact O-N 2.89Å; L137-I167 HydrophobicContact CB-CD1 3.79Å
138C95.3Very high85.6Confident0 Ų047.8 Ų47.80%024%0.235CC..EExtended strand (participates in β ladder)trans-82.5122.6173.1-77.30000109.2T32 H33 E162T32-C138 WeakPolarHBondContact CA-O 3.48Å; H33-C138 WeakPolarHBondContact CE1-CB 3.32Å; H33-C138 PolarHBondContact N-O 3.22Å; H33-C138 PolarHBondContact O-N 3.02Å; C138-E162 PolarHBondContact SG-OE1 3.25Å
139V95.9Very high84.9Confident0 Ų049.1 Ų49.10%025%0.246CC..EExtended strand (participates in β ladder)trans-114.4117.2177.9-1750000108.4V30 T32 L137 E162 R163 L165 F183 I191 L193V30-V139 HydrophobicContact CG1-CG1 3.8Å; T32-V139 HydrophobicContact CG2-CB 4.31Å; T32-V139 HydrophobicContact CG2-CG1 4.01Å; T32-V139 HydrophobicContact CG2-CG2 4.06Å; L137-V139 HydrophobicContact CD2-CG2 4.49Å; L137-V139 HydrophobicContact CG-CG2 4.08Å; V139-E162 CarbonylContact O-C 3.58Å; V139-E162 VanDerWaalsContact O-CA 3.3Å; V139-E162 WeakPolarHBondContact O-CA 3.46Å; V139-R163 PolarHBondContact N-O 2.89Å; V139-R163 PolarHBondContact O-N 2.7Å; V139-L165 HydrophobicContact CG2-CD1 3.64Å; V139-L165 HydrophobicContact CG2-CG 4.35Å; V139-F183 HydrophobicContact CG1-CE1 4.11Å; V139-F183 HydrophobicContact CG1-CZ 3.75Å; V139-I191 HydrophobicContact CG1-CG2 4.23Å; V139-L193 HydrophobicContact CG2-CD1 4Å
140E95.5Very high84.2Confident4 Ų455.5 Ų55.52%0.01927%0.272CS..EExtended strand (participates in β ladder)trans-115.9127.3-173-58.4-177.4142.100111R31 H33 K92 W142 K159 C161 E162R31-E140 HydrophobicContact CB-CB 4.27Å; R31-E140 PolarHBondContact N-O 3.47Å; R31-E140 PolarHBondContact O-N 3.5Å; H33-E140 IonicContact CE1-OE1 3.63Å; K92-E140 WeakPolarHBondContact CD-OE2 3.39Å; K92-E140 IonicContact NZ-OE1 3.43Å; K92-E140 PolarHBondContact NZ-OE1 2.97Å; K92-E140 IonicContact NZ-OE2 3.13Å; K92-E140 PolarHBondContact NZ-OE2 3.05Å; E140-W142 PolarHBondContact OE2-NE1 3.18Å; E140-K159 HydrophobicContact CB-CD 3.67Å; E140-K159 HydrophobicContact CB-CG 4.3Å; E140-K159 VanDerWaalsContact CD-CD 3.43Å; E140-K159 HydrophobicContact CG-CD 3.57Å; E140-K159 WeakPolarHBondContact OE1-CD 3.43Å; E140-K159 IonicContact OE1-NZ 3.78Å; E140-K159 PolarHBondContact OE1-NZ 3.47Å; E140-C161 WeakPolarHBondContact CA-O 3.24Å; E140-E162 HydrophobicContact CG-CB 4.46Å; E140-E162 HydrophobicContact CG-CG 4.1Å
141L94.7Very high83.5Confident0 Ų060.3 Ų60.30%030%0.304CS..EExtended strand (participates in β ladder)trans-88.9121.9167.4-172.366.3000109.6F17 Y28 V30 V160 C161 F183 H187F17-L141 HydrophobicContact CE2-CD1 4.04Å; F17-L141 HydrophobicContact CZ-CD1 4.43Å; Y28-L141 HydrophobicContact CD1-CD1 3.87Å; Y28-L141 HydrophobicContact CD1-CD2 4.23Å; Y28-L141 HydrophobicContact CD1-CG 4.09Å; Y28-L141 HydrophobicContact CE1-CD2 4.25Å; V30-L141 HydrophobicContact CG2-CB 4.43Å; V30-L141 HydrophobicContact CG2-CD1 3.53Å; L141-V160 HydrophobicContact CB-CG2 4.12Å; L141-V160 HydrophobicContact CD2-CG2 3.94Å; L141-V160 HydrophobicContact CG-CG2 3.86Å; L141-V160 VanDerWaalsContact O-CG2 3.3Å; L141-V160 WeakPolarHBondContact O-CG2 3.43Å; L141-V160 PolarHBondContact O-N 3.26Å; L141-C161 HydrophobicContact CB-CB 4.08Å; L141-C161 PolarHBondContact N-O 2.9Å; L141-C161 PolarHBondContact O-N 3.15Å; L141-F183 HydrophobicContact CB-CD1 3.76Å; L141-F183 HydrophobicContact CB-CE1 3.67Å; L141-F183 HydrophobicContact CB-CE2 4.44Å; L141-F183 HydrophobicContact CB-CG 4.17Å; L141-F183 HydrophobicContact CB-CZ 4.01Å; L141-F183 HydrophobicContact CD1-CE2 4.45Å; L141-F183 HydrophobicContact CD2-CB 4.41Å; L141-F183 HydrophobicContact CD2-CD2 4.42Å; L141-F183 HydrophobicContact CD2-CG 4.21Å; L141-H187 HydrophobicContact CD2-CB 3.77Å
142W93.2Very high83Confident46 Ų4658.2 Ų58.217%0.17429%0.288CS..EExtended strand (participates in β ladder)trans-109.8143.6173.7-68.568.1000110.3Y28 Q29 R31 E140 L157 T158 K159Y28-W142 CarbonylContact C-O 3.57Å; Y28-W142 VanDerWaalsContact CA-O 3.23Å; Y28-W142 WeakPolarHBondContact CA-O 3.29Å; Q29-W142 HydrophobicContact CB-CB 4.29Å; Q29-W142 PolarHBondContact N-O 3.1Å; Q29-W142 PolarHBondContact O-N 2.95Å; Q29-W142 VanDerWaalsContact O-N 3.08Å; R31-W142 HydrophobicContact CG-CG 4.14Å; E140-W142 PolarHBondContact OE2-NE1 3.18Å; W142-L157 HydrophobicContact CB-CB 4.37Å; W142-L157 HydrophobicContact CB-CD2 4.46Å; W142-L157 HydrophobicContact CE3-CB 4.09Å; W142-L157 VanDerWaalsContact CE3-O 3.27Å; W142-L157 VanDerWaalsContact CZ3-O 3.31Å; W142-L157 WeakPolarHBondContact CZ3-O 3.32Å; W142-T158 CarbonylContact C-O 3.6Å; W142-T158 VanDerWaalsContact CA-O 3.24Å; W142-T158 WeakPolarHBondContact CA-O 3.35Å; W142-T158 VanDerWaalsContact CE3-C 3.48Å; W142-K159 HydrophobicContact CD2-CB 3.92Å; W142-K159 HydrophobicContact CE3-CB 4.31Å; W142-K159 VanDerWaalsContact CE3-N 3.35Å; W142-K159 HydrophobicContact CG-CB 4.39Å; W142-K159 HydrophobicContact CH2-CB 4.35Å; W142-K159 HydrophobicContact CZ2-CB 3.96Å
143F91.3Very high82.5Confident22 Ų2251.9 Ų51.910%0.09627%0.269CS..EExtended strand (participates in β ladder)trans-142.5145.6-175.9171-110.5000112.2H24 Y27 Y28 E145 T158 V160H24-F143 HydrophobicContact CB-CE1 3.94Å; H24-F143 HydrophobicContact CB-CE2 4.04Å; H24-F143 HydrophobicContact CB-CZ 3.49Å; H24-F143 VanDerWaalsContact CB-CZ 3.49Å; Y27-F143 CarbonylContact O-C 3.46Å; Y27-F143 WeakPolarHBondContact O-CA 3.3Å; Y28-F143 HydrophobicContact CD1-CB 3.93Å; Y28-F143 AromaticContact CD1-CD2 3.89Å; Y28-F143 HydrophobicContact CD1-CD2 3.89Å; Y28-F143 HydrophobicContact CD1-CG 4.31Å; Y28-F143 AromaticContact CD2-CD2 3.9Å; Y28-F143 HydrophobicContact CD2-CD2 3.9Å; Y28-F143 HydrophobicContact CD2-CE2 4.37Å; Y28-F143 HydrophobicContact CE1-CB 3.78Å; Y28-F143 AromaticContact CE1-CD2 3.48Å; Y28-F143 HydrophobicContact CE1-CD2 3.48Å; Y28-F143 VanDerWaalsContact CE1-CD2 3.48Å; Y28-F143 HydrophobicContact CE1-CE2 4.36Å; Y28-F143 AromaticContact CE1-CG 3.84Å; Y28-F143 HydrophobicContact CE1-CG 3.84Å; Y28-F143 AromaticContact CE2-CD2 3.49Å; Y28-F143 HydrophobicContact CE2-CD2 3.49Å; Y28-F143 VanDerWaalsContact CE2-CD2 3.49Å; Y28-F143 AromaticContact CE2-CE2 3.71Å; Y28-F143 HydrophobicContact CE2-CE2 3.71Å; Y28-F143 HydrophobicContact CG-CD2 4.1Å; Y28-F143 AromaticContact CZ-CD2 3.27Å; Y28-F143 AromaticContact CZ-CE2 3.7Å; Y28-F143 AromaticContact CZ-CG 4Å; F143-E145 HydrophobicContact CE1-CB 4.24Å; F143-E145 VanDerWaalsContact CZ-CA 3.49Å; F143-E145 HydrophobicContact CZ-CB 3.93Å; F143-T158 PolarHBondContact N-O 2.91Å; F143-T158 PolarHBondContact O-N 3.44Å; F143-T158 PolarHBondContact O-OG1 2.87Å; F143-T158 VanDerWaalsContact O-OG1 3.1Å; F143-V160 HydrophobicContact CB-CG1 3.86Å; F143-V160 HydrophobicContact CB-CG2 3.89Å; F143-V160 HydrophobicContact CD1-CG1 4.34Å
144V88.1Confident82.2Confident24 Ų2454 Ų5415%0.14529%0.285CS..EExtended strand (participates in β ladder)trans-141.6135.7159.964.20000109.8G26 Y27 F152 F156 L157G26-V144 CarbonylContact C-O 3.57Å; G26-V144 WeakPolarHBondContact CA-O 3.43Å; Y27-V144 HydrophobicContact CD2-CG1 4.24Å; Y27-V144 PolarHBondContact N-O 2.86Å; Y27-V144 PolarHBondContact O-N 3.35Å; V144-F152 HydrophobicContact CG1-CD2 4.04Å; V144-F152 HydrophobicContact CG1-CE2 3.85Å; V144-F156 HydrophobicContact CG2-CB 3.84Å; V144-L157 HydrophobicContact CB-CD2 4.24Å; V144-L157 HydrophobicContact CG1-CD2 3.78Å; V144-L157 HydrophobicContact CG1-CG 4.2Å
145E85.4Confident81.8Confident135 Ų13560 Ų6063%0.63131%0.312SS*.EExtended strand (participates in β ladder)trans-62.9143.1175.8-172166.8-141.900111F143 P147F143-E145 HydrophobicContact CE1-CB 4.24Å; F143-E145 VanDerWaalsContact CZ-CA 3.49Å; F143-E145 HydrophobicContact CZ-CB 3.93Å; E145-P147 WeakPolarHBondContact O-CD 3.35Å
146D75.3Confident81.4Confident64 Ų6464.5 Ų64.534%0.34233%0.331SS..  trans-65.1111.1-173.8-166.614.6000111.5Y27 L148Y27-D146 HydrophobicContact CE2-CB 4.41Å; Y27-D146 WeakPolarHBondContact CE2-OD1 3.4Å; Y27-D146 PolarHBondContact OH-OD1 3.02Å; D146-L148 PolarHBondContact O-N 2.91Å; D146-L148 VanDerWaalsContact O-N 3.09Å
147P66.6Low81Confident37 Ų3762.9 Ų62.924%0.2432%0.324CS..  trans-8789.1-171.632.8-28000110.3E145 D149 K150E145-P147 WeakPolarHBondContact O-CD 3.35Å; P147-D149 PolarHBondContact O-N 3.48Å; P147-K150 HydrophobicContact CB-CB 4.26Å; P147-K150 PolarHBondContact O-N 3.15Å
148L65.5Low80.8Confident159 Ų15966.6 Ų66.683%0.83235%0.347SS*.THydrogen-bonded Turntrans-44.6-28.6-178.5-66.4171.4000115.7D146D146-L148 PolarHBondContact O-N 2.91Å; D146-L148 VanDerWaalsContact O-N 3.09Å
149D68.3Low80.6Confident141 Ų14170.6 Ų70.675%0.75436%0.364SS*.THydrogen-bonded Turntrans-106.86.3-178-59.6-63.1000114.7P147P147-D149 PolarHBondContact O-N 3.48Å
150K66.3Low80.4Confident146 Ų14672.6 Ų72.664%0.63538%0.376SS*.SBendtrans-144.1148.6-176.9-65-175.5-179.5177.90113.9P147P147-K150 HydrophobicContact CB-CB 4.26Å; P147-K150 PolarHBondContact O-N 3.15Å
151P68.8Low80.4Confident114 Ų11472.9 Ų72.974%0.7438%0.378SS*.  trans-64.9142.1168.728.7-34.5000111.1A153P151-A153 PolarHBondContact O-N 3.32Å
152F69Low80.4Confident46 Ų4675.5 Ų75.520%0.20239%0.39CS..  trans-58.9130.6173166.8-93.4000111.2Y27 V74 T97 V144 P154 L157Y27-F152 HydrophobicContact CD1-CD2 4Å; Y27-F152 HydrophobicContact CD1-CE2 4.38Å; Y27-F152 HydrophobicContact CD1-CG 4.35Å; Y27-F152 HydrophobicContact CD2-CB 4.48Å; Y27-F152 AromaticContact CD2-CD2 3.6Å; Y27-F152 HydrophobicContact CD2-CD2 3.6Å; Y27-F152 HydrophobicContact CD2-CE2 4.29Å; Y27-F152 HydrophobicContact CD2-CG 4.36Å; Y27-F152 HydrophobicContact CE1-CB 4.47Å; Y27-F152 HydrophobicContact CE2-CB 4.19Å; Y27-F152 HydrophobicContact CE2-CD2 4.16Å; Y27-F152 AromaticContact CG-CD2 3.53Å; Y27-F152 HydrophobicContact CG-CD2 3.53Å; Y27-F152 AromaticContact CG-CE2 3.86Å; Y27-F152 HydrophobicContact CG-CE2 3.86Å; Y27-F152 HydrophobicContact CG-CG 4.29Å; V74-F152 HydrophobicContact CG1-CE1 4.33Å; T97-F152 HydrophobicContact CG2-CE1 4.35Å; T97-F152 HydrophobicContact CG2-CE2 4.11Å; T97-F152 HydrophobicContact CG2-CZ 3.78Å; V144-F152 HydrophobicContact CG1-CD2 4.04Å; V144-F152 HydrophobicContact CG1-CE2 3.85Å; F152-P154 HydrophobicContact CE1-CB 4.35Å; F152-P154 HydrophobicContact CZ-CB 4.26Å; F152-L157 HydrophobicContact CE2-CD1 4.31Å; F152-L157 HydrophobicContact CE2-CD2 4.36Å; F152-L157 HydrophobicContact CE2-CG 4.13Å; F152-L157 HydrophobicContact CZ-CD1 3.98Å; F152-L157 HydrophobicContact CZ-CG 4.29Å
153A70.6Confident80.4Confident26 Ų2674 Ų7422%0.21539%0.385CS..  trans-125.9135.5168.200000109.8P151 E155 F156P151-A153 PolarHBondContact O-N 3.32Å; A153-E155 PolarHBondContact O-N 2.87Å; A153-E155 VanDerWaalsContact O-N 3.1Å; A153-F156 HydrophobicContact CB-CD2 3.86Å; A153-F156 HydrophobicContact CB-CE2 3.69Å; A153-F156 HydrophobicContact CB-CZ 4.25Å; A153-F156 PolarHBondContact O-N 3.12Å; A153-F156 VanDerWaalsContact O-N 3.09Å
154P72.6Confident80.6Confident73 Ų7376.2 Ų76.247%0.47440%0.395SS..G310 helixtrans-67.9-11.3-176.629.1-36.2000113.9F152 F156 L157F152-P154 HydrophobicContact CE1-CB 4.35Å; F152-P154 HydrophobicContact CZ-CB 4.26Å; P154-F156 VanDerWaalsContact C-N 3.32Å; P154-L157 HydrophobicContact CB-CD1 4.41Å; P154-L157 WeakPolarHBondContact O-CB 3.23Å
155E75.6Confident80.9Confident172 Ų17275.2 Ų75.280%0.80439%0.389SS*.G310 helixtrans-69.3-25.7172.4-64.9173.3-15300113A153 L157A153-E155 PolarHBondContact O-N 2.87Å; A153-E155 VanDerWaalsContact O-N 3.1Å; E155-L157 VanDerWaalsContact C-N 3.34Å
156F82.2Confident81.3Confident103 Ų10373.4 Ų73.445%0.45238%0.377SS..G310 helixtrans-82.6-11.7178.9-54.4-38.5000113.4V144 A153 P154 T158V144-F156 HydrophobicContact CG2-CB 3.84Å; A153-F156 HydrophobicContact CB-CD2 3.86Å; A153-F156 HydrophobicContact CB-CE2 3.69Å; A153-F156 HydrophobicContact CB-CZ 4.25Å; A153-F156 PolarHBondContact O-N 3.12Å; A153-F156 VanDerWaalsContact O-N 3.09Å; P154-F156 VanDerWaalsContact C-N 3.32Å; F156-T158 PolarHBondContact O-N 3.06Å
157L85.2Confident82.2Confident7 Ų770.8 Ų70.84%0.03736%0.363CS..  trans-62.3130.4174.7-76167.6000110.5Y27 Q29 W142 V144 F152 P154 E155Y27-L157 WeakPolarHBondContact O-CD2 3.33Å; Q29-L157 HydrophobicContact CB-CD1 4.02Å; W142-L157 HydrophobicContact CB-CB 4.37Å; W142-L157 HydrophobicContact CB-CD2 4.46Å; W142-L157 HydrophobicContact CE3-CB 4.09Å; W142-L157 VanDerWaalsContact CE3-O 3.27Å; W142-L157 VanDerWaalsContact CZ3-O 3.31Å; W142-L157 WeakPolarHBondContact CZ3-O 3.32Å; V144-L157 HydrophobicContact CB-CD2 4.24Å; V144-L157 HydrophobicContact CG1-CD2 3.78Å; V144-L157 HydrophobicContact CG1-CG 4.2Å; F152-L157 HydrophobicContact CE2-CD1 4.31Å; F152-L157 HydrophobicContact CE2-CD2 4.36Å; F152-L157 HydrophobicContact CE2-CG 4.13Å; F152-L157 HydrophobicContact CZ-CD1 3.98Å; F152-L157 HydrophobicContact CZ-CG 4.29Å; P154-L157 HydrophobicContact CB-CD1 4.41Å; P154-L157 WeakPolarHBondContact O-CB 3.23Å; E155-L157 VanDerWaalsContact C-N 3.34Å
158T90.5Very high83.3Confident79 Ų7971.1 Ų71.149%0.48536%0.361SS..EExtended strand (participates in β ladder)trans-114.5141175.262.40000110.5W142 F143 F156 V160W142-T158 CarbonylContact C-O 3.6Å; W142-T158 VanDerWaalsContact CA-O 3.24Å; W142-T158 WeakPolarHBondContact CA-O 3.35Å; W142-T158 VanDerWaalsContact CE3-C 3.48Å; F143-T158 PolarHBondContact N-O 2.91Å; F143-T158 PolarHBondContact O-N 3.44Å; F143-T158 PolarHBondContact O-OG1 2.87Å; F143-T158 VanDerWaalsContact O-OG1 3.1Å; F156-T158 PolarHBondContact O-N 3.06Å; T158-V160 PolarHBondContact O-N 3.44Å
159K92.3Very high84.2Confident85 Ų8564.5 Ų64.537%0.3733%0.326SS..EExtended strand (participates in β ladder)trans-70.9123.7172.5-175.3167.268.4176.50109.6E140 W142 E162E140-K159 HydrophobicContact CB-CD 3.67Å; E140-K159 HydrophobicContact CB-CG 4.3Å; E140-K159 VanDerWaalsContact CD-CD 3.43Å; E140-K159 HydrophobicContact CG-CD 3.57Å; E140-K159 WeakPolarHBondContact OE1-CD 3.43Å; E140-K159 IonicContact OE1-NZ 3.78Å; E140-K159 PolarHBondContact OE1-NZ 3.47Å; W142-K159 HydrophobicContact CD2-CB 3.92Å; W142-K159 HydrophobicContact CE3-CB 4.31Å; W142-K159 VanDerWaalsContact CE3-N 3.35Å; W142-K159 HydrophobicContact CG-CB 4.39Å; W142-K159 HydrophobicContact CH2-CB 4.35Å; W142-K159 HydrophobicContact CZ2-CB 3.96Å; K159-E162 HydrophobicContact CD-CB 4.32Å; K159-E162 IonicContact NZ-OE2 3.36Å; K159-E162 PolarHBondContact NZ-OE2 2.78Å
160V92.6Very high85Confident42 Ų4260.5 Ų60.526%0.25531%0.307SS..EExtended strand (participates in β ladder)trans-104.9-36.1178.6-71.80000112.9L141 F143 T158L141-V160 HydrophobicContact CB-CG2 4.12Å; L141-V160 HydrophobicContact CD2-CG2 3.94Å; L141-V160 HydrophobicContact CG-CG2 3.86Å; L141-V160 VanDerWaalsContact O-CG2 3.3Å; L141-V160 WeakPolarHBondContact O-CG2 3.43Å; L141-V160 PolarHBondContact O-N 3.26Å; F143-V160 HydrophobicContact CB-CG1 3.86Å; F143-V160 HydrophobicContact CB-CG2 3.89Å; F143-V160 HydrophobicContact CD1-CG1 4.34Å; T158-V160 PolarHBondContact O-N 3.44Å
161C93.8Very high85.8Confident9 Ų953.5 Ų53.56%0.06128%0.277CS..EExtended strand (participates in β ladder)trans-138.5155.6177.8-168.70000111.6E140 L141 F183 D184 H187E140-C161 WeakPolarHBondContact CA-O 3.24Å; L141-C161 HydrophobicContact CB-CB 4.08Å; L141-C161 PolarHBondContact N-O 2.9Å; L141-C161 PolarHBondContact O-N 3.15Å; C161-F183 HydrophobicContact CB-CB 4.31Å; C161-F183 HydrophobicContact CB-CD1 3.88Å; C161-F183 HydrophobicContact CB-CG 4.49Å; C161-D184 WeakPolarHBondContact CB-OD2 3.34Å; C161-D184 PolarHBondContact SG-OD2 2.66Å; C161-H187 HydrophobicContact CB-CB 4.47Å
162E94.4Very high86.4Confident55 Ų5549.2 Ų49.226%0.25725%0.249SC..EExtended strand (participates in β ladder)trans-142.3139.1169.8-177.9-179.3162.900110C138 V139 E140 K159 Q164C138-E162 PolarHBondContact SG-OE1 3.25Å; V139-E162 CarbonylContact O-C 3.58Å; V139-E162 VanDerWaalsContact O-CA 3.3Å; V139-E162 WeakPolarHBondContact O-CA 3.46Å; E140-E162 HydrophobicContact CG-CB 4.46Å; E140-E162 HydrophobicContact CG-CG 4.1Å; K159-E162 HydrophobicContact CD-CB 4.32Å; K159-E162 IonicContact NZ-OE2 3.36Å; K159-E162 PolarHBondContact NZ-OE2 2.78Å; E162-Q164 HydrophobicContact CG-CG 4.33Å; E162-Q164 WeakPolarHBondContact OE1-CG 3.38Å; E162-Q164 PolarHBondContact OE1-NE2 2.91Å
163R94.9Very high87Confident16 Ų1650 Ų506%0.0625%0.251CS..EExtended strand (participates in β ladder)trans-117.9137.4165.9-60.1-59.1-163.1178.48109.5V139 V181 F182 F183 E1595V139-R163 PolarHBondContact N-O 2.89Å; V139-R163 PolarHBondContact O-N 2.7Å; R163-V181 HydrophobicContact CB-CG1 4.06Å; R163-V181 HydrophobicContact CG-CG1 3.96Å; R163-F182 PolarHBondContact NE-O 2.91Å; R163-F182 PolarHBondContact NH2-O 3.19Å; R163-F183 HydrophobicContact CG-CD1 4.39Å; R163-F183 PolarHBondContact NH2-O 3.27Å; R163-E1595 IonicContact CZ-OE2 2.77Å; R163-E1595 IonicContact NH1-OE2 3.82Å; R163-E1595 PolarHBondContact NH1-OE2 3.1Å; R163-E1595 VanDerWaalsContact NH2-CD 3.31Å; R163-E1595 IonicContact NH2-OE1 2.76Å; R163-E1595 PolarHBondContact NH2-OE1 3.19Å; R163-E1595 IonicContact NH2-OE2 3.33Å; R163-E1595 PolarHBondContact NH2-OE2 3.46Å
164Q94.6Very high87.8Confident67 Ų6749.4 Ų49.431%0.31325%0.247SC..EExtended strand (participates in β ladder)trans-110.7103.7179.2-63.7-166.24.400110.5E162E162-Q164 HydrophobicContact CG-CG 4.33Å; E162-Q164 WeakPolarHBondContact OE1-CG 3.38Å; E162-Q164 PolarHBondContact OE1-NE2 2.91Å
165L95Very high88.7Confident4 Ų446.1 Ų46.12%0.02123%0.225CC..EExtended strand (participates in β ladder)trans-91.7106.4-175.7-52170.2000109.8F136 L137 V139 F179 V181 L193 V405 T406 C407F136-L165 CarbonylContact C-O 3.34Å; F136-L165 VanDerWaalsContact CA-O 3.26Å; F136-L165 WeakPolarHBondContact CA-O 3.45Å; L137-L165 HydrophobicContact CB-CB 4.26Å; L137-L165 HydrophobicContact CB-CD1 4.39Å; L137-L165 HydrophobicContact CD2-CD1 4.09Å; L137-L165 HydrophobicContact CG-CD1 4.22Å; L137-L165 PolarHBondContact N-O 2.95Å; L137-L165 WeakPolarHBondContact O-CB 3.31Å; L137-L165 PolarHBondContact O-N 2.89Å; V139-L165 HydrophobicContact CG2-CD1 3.64Å; V139-L165 HydrophobicContact CG2-CG 4.35Å; L165-F179 HydrophobicContact CD1-CE2 3.93Å; L165-F179 HydrophobicContact CD1-CZ 4.33Å; L165-V181 HydrophobicContact CD1-CG2 3.98Å; L165-V181 HydrophobicContact CD2-CG1 4.39Å; L165-V181 HydrophobicContact CD2-CG2 4.03Å; L165-L193 HydrophobicContact CD1-CD1 4.1Å; L165-V405 HydrophobicContact CB-CG1 3.75Å; L165-V405 HydrophobicContact CD1-CG1 4.46Å; L165-V405 HydrophobicContact CG-CG1 4.5Å; L165-T406 CarbonylContact C-O 3.44Å; L165-C407 HydrophobicContact CD2-CB 3.73Å
166R94.1Very high89.5Confident96 Ų9638.5 Ų38.536%0.36219%0.19SC..EExtended strand (participates in β ladder)trans-72128.5173.4-170.7-179.3-177.7-163.93.4109.4D134 L135 F136 V405 T406D134-R166 IonicContact OD1-CZ 2.85Å; D134-R166 IonicContact OD1-NE 3.67Å; D134-R166 PolarHBondContact OD1-NE 3.06Å; D134-R166 IonicContact OD1-NH2 3.96Å; D134-R166 PolarHBondContact OD1-NH2 2.93Å; D134-R166 IonicContact OD2-CZ 3.83Å; D134-R166 IonicContact OD2-NE 2.99Å; D134-R166 IonicContact OD2-NH2 3.65Å; D134-R166 PolarHBondContact OD2-NH2 3.24Å; L135-R166 WeakPolarHBondContact O-CA 3.25Å; F136-R166 HydrophobicContact CD1-CB 3.88Å; F136-R166 HydrophobicContact CD1-CG 4.32Å; F136-R166 HydrophobicContact CE1-CB 3.71Å; F136-R166 HydrophobicContact CE1-CG 3.9Å; F136-R166 HydrophobicContact CZ-CG 4.26Å; R166-V405 WeakPolarHBondContact O-CA 3.43Å; R166-T406 PolarHBondContact N-O 3.37Å; R166-T406 PolarHBondContact O-N 3.38Å; R166-T406 PolarHBondContact O-OG1 2.98Å
167I93.7Very high90Very high9 Ų935 Ų355%0.04617%0.174CC..EExtended strand (participates in β ladder)trans-101.7123.9-176.9-69.8163.3000109.3L10 L34 L135 L137 L169 L175 L195L10-I167 HydrophobicContact CD2-CD1 4.33Å; L34-I167 HydrophobicContact CD2-CD1 3.73Å; L135-I167 HydrophobicContact CB-CB 4.28Å; L135-I167 HydrophobicContact CD2-CB 4.29Å; L135-I167 HydrophobicContact CD2-CD1 4.11Å; L135-I167 HydrophobicContact CD2-CG2 4.17Å; L135-I167 HydrophobicContact CG-CB 4.27Å; L135-I167 HydrophobicContact CG-CD1 4.09Å; L135-I167 PolarHBondContact O-N 3.48Å; L137-I167 HydrophobicContact CB-CD1 3.79Å; I167-L169 HydrophobicContact CG2-CB 4.13Å; I167-L175 HydrophobicContact CG2-CD2 3.5Å; I167-L195 HydrophobicContact CD1-CD2 3.71Å; I167-L195 HydrophobicContact CG1-CD2 3.86Å
168H88.9Confident90.4Very high45 Ų4534.7 Ų34.721%0.20817%0.172CC..  trans-105.488.5178.4-58.4-94.9000109L403 P404 T406H168-L403 PolarHBondContact CD2-O 2.95Å; H168-P404 PolarHBondContact N-O 3.4Å; H168-T406 PolarHBondContact NE2-OG1 3.42Å
169L85.3Confident90.6Very high19 Ų1931.3 Ų31.310%0.09915%0.151CC..  trans-106.7113.8-177.1-174.3154.7000110.7L8 I167 L175L8-L169 HydrophobicContact CD1-CD2 4.25Å; L8-L169 HydrophobicContact CD2-CD2 3.78Å; I167-L169 HydrophobicContact CG2-CB 4.13Å; L169-L175 HydrophobicContact CD1-CB 4.02Å; L169-L175 HydrophobicContact CG-CB 4.23Å
170T84.1Confident90.7Very high57 Ų5728.5 Ų28.535%0.3514%0.14SC..BIsolated β-bridgetrans-80.5126.5169.6-42.20000109.5S172 R173 G174T170-S172 VanDerWaalsContact C-N 3.35Å; T170-S172 PolarHBondContact O-N 3.37Å; T170-R173 HydrophobicContact CG2-CG 4.3Å; T170-R173 PolarHBondContact O-N 3.07Å; T170-G174 PolarHBondContact O-N 3.18Å
171P83.1Confident90.7Very high0 Ų026.6 Ų26.60%013%0.129CC..THydrogen-bonded Turntrans-61.7-39.5-171.7-26.537.6000113.9L126 E127 L130 R173 L199 I259 A263L126-P171 HydrophobicContact CD2-CB 4.48Å; E127-P171 HydrophobicContact CB-CG 4.36Å; E127-P171 HydrophobicContact CG-CB 4.37Å; E127-P171 HydrophobicContact CG-CG 4.15Å; L130-P171 HydrophobicContact CB-CG 3.77Å; L130-P171 HydrophobicContact CD1-CB 3.7Å; L130-P171 HydrophobicContact CD1-CG 3.36Å; L130-P171 HydrophobicContact CG-CG 4.15Å; P171-R173 PolarHBondContact O-N 3.11Å; P171-L199 HydrophobicContact CB-CB 4.49Å; P171-L199 HydrophobicContact CB-CD2 4.24Å; P171-I259 HydrophobicContact CB-CG2 4.2Å; P171-A263 WeakPolarHBondContact O-CB 3.47Å
172S82.3Confident90.7Very high24 Ų2426.4 Ų26.417%0.16813%0.127CC..THydrogen-bonded Turntrans-68.4-9173.647.10000115.3E127 T170 A262 A263E127-S172 WeakPolarHBondContact OE1-CB 3.22Å; E127-S172 PolarHBondContact OE1-N 2.88Å; E127-S172 PolarHBondContact OE1-OG 3.46Å; T170-S172 VanDerWaalsContact C-N 3.35Å; T170-S172 PolarHBondContact O-N 3.37Å; S172-A262 CarbonylContact O-C 3.56Å; S172-A262 VanDerWaalsContact O-O 3.1Å; S172-A263 PolarHBondContact O-N 3.02Å
173R81.9Confident90.5Very high63 Ų6323.8 Ų23.824%0.23812%0.115CC..THydrogen-bonded Turntrans-121.6-30.8-176.8-57.1-177.2179.4-145.1-3.9114.6T170 P171 S266 T904 I1292 L1293 P1295T170-R173 HydrophobicContact CG2-CG 4.3Å; T170-R173 PolarHBondContact O-N 3.07Å; P171-R173 PolarHBondContact O-N 3.11Å; R173-S266 VanDerWaalsContact O-CB 3.24Å; R173-S266 WeakPolarHBondContact O-CB 3.42Å; R173-S266 PolarHBondContact O-OG 3.16Å; R173-T904 PolarHBondContact NH1-O 3.25Å; R173-T904 VanDerWaalsContact NH1-O 3.07Å; R173-I1292 PolarHBondContact NH2-O 2.71Å; R173-L1293 VanDerWaalsContact CZ-O 3.32Å; R173-L1293 PolarHBondContact NH1-O 3.42Å; R173-L1293 PolarHBondContact NH2-O 3.17Å; R173-P1295 VanDerWaalsContact NH2-CD 3.32Å
174G87.6Confident90.1Very high12 Ų1224.6 Ų24.612%0.12412%0.12CC..BIsolated β-bridgetrans66.6-157.2-166.900000112.4T170 G197T170-G174 PolarHBondContact O-N 3.18Å; G174-G197 CarbonylContact C-O 3.12Å; G174-G197 WeakPolarHBondContact CA-O 3.24Å
175L90.5Very high89.4Confident4 Ų424.3 Ų24.32%0.02112%0.117CC..EExtended strand (participates in β ladder)trans-156.7120.1-169.7-178.677.4000109.4I167 L169 Y177 L195 Y196 G197 P404 V405I167-L175 HydrophobicContact CG2-CD2 3.5Å; L169-L175 HydrophobicContact CD1-CB 4.02Å; L169-L175 HydrophobicContact CG-CB 4.23Å; L175-Y177 HydrophobicContact CD1-CD2 3.66Å; L175-Y177 HydrophobicContact CD1-CE2 3.93Å; L175-Y177 HydrophobicContact CG-CD2 4.17Å; L175-L195 HydrophobicContact CD2-CD2 3.53Å; L175-L195 HydrophobicContact CD2-CG 3.95Å; L175-Y196 CarbonylContact O-C 3.12Å; L175-Y196 VanDerWaalsContact O-CA 3.27Å; L175-Y196 WeakPolarHBondContact O-CA 3.5Å; L175-G197 PolarHBondContact N-O 3.02Å; L175-G197 PolarHBondContact O-N 2.85Å; L175-P404 HydrophobicContact CD1-CB 3.51Å; L175-V405 HydrophobicContact CD2-CG2 4.33Å
176H92.7Very high88.7Confident12 Ų1230.7 Ų30.76%0.05615%0.145CC..EExtended strand (participates in β ladder)trans-141.486-176.6-58.9-48.8000111.2Y196 F270H176-Y196 HydrophobicContact CB-CD1 4.24Å; H176-Y196 AromaticContact ND1-CD1 3.88Å; H176-F270 HydrophobicContact CB-CD1 3.9Å; H176-F270 HydrophobicContact CB-CD2 3.74Å; H176-F270 HydrophobicContact CB-CE1 3.74Å; H176-F270 HydrophobicContact CB-CE2 3.57Å; H176-F270 HydrophobicContact CB-CG 3.9Å; H176-F270 HydrophobicContact CB-CZ 3.59Å; H176-F270 AromaticContact CD2-CD1 3.3Å; H176-F270 WeakPolarHBondContact CD2-CD1 3.47Å; H176-F270 AromaticContact CD2-CE1 3.97Å; H176-F270 AromaticContact CD2-CG 3.32Å; H176-F270 WeakPolarHBondContact CD2-CG 3.46Å; H176-F270 AromaticContact CG-CD1 3.5Å; H176-F270 AromaticContact CG-CE1 3.67Å; H176-F270 AromaticContact CG-CG 3.75Å; H176-F270 AromaticContact NE2-CD1 3.83Å
177Y93.4Very high88.3Confident31 Ų3127.8 Ų27.812%0.12214%0.135CC..EExtended strand (participates in β ladder)trans-136157.4-172.9-69.3-82.3000112.9L175 A194 L195 F351 I354 P404L175-Y177 HydrophobicContact CD1-CD2 3.66Å; L175-Y177 HydrophobicContact CD1-CE2 3.93Å; L175-Y177 HydrophobicContact CG-CD2 4.17Å; Y177-A194 WeakPolarHBondContact O-CA 3.15Å; Y177-L195 PolarHBondContact N-O 3.2Å; Y177-L195 VanDerWaalsContact N-O 3.08Å; Y177-L195 PolarHBondContact O-N 2.88Å; Y177-F351 HydrophobicContact CD1-CB 4.37Å; Y177-F351 AromaticContact CD1-CD2 3.84Å; Y177-F351 HydrophobicContact CD1-CD2 3.84Å; Y177-F351 HydrophobicContact CG-CD2 4.14Å; Y177-I354 HydrophobicContact CE1-CD1 4.47Å; Y177-P404 HydrophobicContact CD1-CG 4.48Å; Y177-P404 HydrophobicContact CD2-CB 3.58Å; Y177-P404 HydrophobicContact CD2-CG 4.02Å; Y177-P404 HydrophobicContact CE1-CG 3.99Å; Y177-P404 HydrophobicContact CE2-CB 3.38Å; Y177-P404 HydrophobicContact CE2-CG 3.49Å; Y177-P404 VanDerWaalsContact CE2-CG 3.49Å; Y177-P404 HydrophobicContact CG-CB 4.29Å; Y177-P404 HydrophobicContact CG-CG 4.48Å; Y177-P404 VanDerWaalsContact CZ-CG 3.47Å
178H94.4Very high88Confident0 Ų027.5 Ų27.50%013%0.134CC..EExtended strand (participates in β ladder)trans-132132.1174.2-164.2-51.6000108.7R15 E192 L193 A194 A344 L347 R348 F351R15-H178 WeakPolarHBondContact CD-NE2 3.13Å; H178-E192 IonicContact CE1-OE2 2.73Å; H178-E192 PolarHBondContact CE1-OE2 3.04Å; H178-L193 CarbonylContact C-O 3.49Å; H178-L193 VanDerWaalsContact CA-O 3.31Å; H178-L193 WeakPolarHBondContact CA-O 3.36Å; H178-L193 PolarHBondContact ND1-O 3.12Å; H178-A194 HydrophobicContact CB-CB 4.19Å; H178-A344 VanDerWaalsContact CD2-CB 3.4Å; H178-A344 WeakPolarHBondContact CD2-CB 3.49Å; H178-A344 WeakPolarHBondContact NE2-CB 3.35Å; H178-L347 HydrophobicContact CB-CB 3.66Å; H178-R348 HydrophobicContact CB-CG 4.18Å; H178-R348 VanDerWaalsContact ND1-CG 3.26Å; H178-R348 WeakPolarHBondContact ND1-CG 3.3Å; H178-R348 WeakPolarHBondContact O-CA 3.11Å; H178-F351 WeakPolarHBondContact O-CB 3.42Å
179F93.9Very high88.1Confident8 Ų825.4 Ų25.44%0.03512%0.124CC..EExtended strand (participates in β ladder)trans-154.2176.3-168.456.3-88.3000111.2L165 V181 L193 L195 F351 V405L165-F179 HydrophobicContact CD1-CE2 3.93Å; L165-F179 HydrophobicContact CD1-CZ 4.33Å; F179-V181 HydrophobicContact CD2-CG2 3.82Å; F179-V181 HydrophobicContact CE2-CG2 3.69Å; F179-L193 HydrophobicContact CD2-CB 4.37Å; F179-L193 HydrophobicContact CE2-CB 3.96Å; F179-L193 HydrophobicContact CE2-CD1 3.88Å; F179-L193 HydrophobicContact CE2-CG 4.48Å; F179-L193 HydrophobicContact CZ-CB 4.03Å; F179-L193 HydrophobicContact CZ-CD1 4.31Å; F179-L193 PolarHBondContact N-O 3.3Å; F179-L193 PolarHBondContact O-N 2.81Å; F179-L195 HydrophobicContact CE1-CB 4.02Å; F179-F351 HydrophobicContact CB-CD1 3.43Å; F179-F351 VanDerWaalsContact CB-CD1 3.43Å; F179-F351 HydrophobicContact CB-CD2 4.42Å; F179-F351 HydrophobicContact CB-CE1 3.45Å; F179-F351 VanDerWaalsContact CB-CE1 3.45Å; F179-F351 HydrophobicContact CB-CE2 4.44Å; F179-F351 HydrophobicContact CB-CG 3.94Å; F179-F351 HydrophobicContact CB-CZ 3.99Å; F179-F351 HydrophobicContact CG-CE1 4.21Å; F179-F351 HydrophobicContact CG-CZ 4.29Å; F179-V405 HydrophobicContact CE1-CB 4.35Å; F179-V405 HydrophobicContact CE1-CG1 4.45Å; F179-V405 HydrophobicContact CE1-CG2 3.95Å; F179-V405 HydrophobicContact CE2-CG1 4.21Å; F179-V405 HydrophobicContact CZ-CB 4.32Å; F179-V405 HydrophobicContact CZ-CG1 3.93Å; F179-V405 HydrophobicContact CZ-CG2 4.19Å
180T93.3Very high88.5Confident25 Ų2524.5 Ų24.515%0.15312%0.119CC..EExtended strand (participates in β ladder)trans-123.6134.6-175.3-53.20000108.5F182 A190 F1333T180-F182 HydrophobicContact CG2-CE2 4.03Å; T180-F182 HydrophobicContact CG2-CZ 4.23Å; T180-A190 HydrophobicContact CG2-CB 3.91Å; T180-F1333 HydrophobicContact CG2-CD2 4.09Å; T180-F1333 HydrophobicContact CG2-CE2 3.79Å
181V94.1Very high89Confident3 Ų321.8 Ų21.82%0.01810%0.103CC..EExtended strand (participates in β ladder)trans-119.6122.2178.8179.70000109.1R163 L165 F179 A190 I191 L193 L410R163-V181 HydrophobicContact CB-CG1 4.06Å; R163-V181 HydrophobicContact CG-CG1 3.96Å; L165-V181 HydrophobicContact CD1-CG2 3.98Å; L165-V181 HydrophobicContact CD2-CG1 4.39Å; L165-V181 HydrophobicContact CD2-CG2 4.03Å; F179-V181 HydrophobicContact CD2-CG2 3.82Å; F179-V181 HydrophobicContact CE2-CG2 3.69Å; V181-A190 CarbonylContact O-C 3.6Å; V181-A190 VanDerWaalsContact O-CA 3.26Å; V181-A190 WeakPolarHBondContact O-CA 3.14Å; V181-I191 HydrophobicContact CB-CG2 4.1Å; V181-I191 PolarHBondContact N-O 3.47Å; V181-I191 PolarHBondContact O-N 3.29Å; V181-L193 HydrophobicContact CB-CD1 4.4Å; V181-L193 HydrophobicContact CG2-CD1 3.67Å; V181-L193 HydrophobicContact CG2-CG 4.48Å; V181-L410 HydrophobicContact CG1-CD1 4.46Å
182F92.1Very high89.5Confident5 Ų521.9 Ų21.92%0.02210%0.103CC..EExtended strand (participates in β ladder)trans-89.7138.5174.4-65-93.9000110.2I20 R163 T180 A190 L410 Y1332 F1333 L1368I20-F182 HydrophobicContact CD1-CD1 3.68Å; I20-F182 HydrophobicContact CD1-CE1 3.61Å; R163-F182 PolarHBondContact NE-O 2.91Å; R163-F182 PolarHBondContact NH2-O 3.19Å; T180-F182 HydrophobicContact CG2-CE2 4.03Å; T180-F182 HydrophobicContact CG2-CZ 4.23Å; F182-A190 HydrophobicContact CD1-CB 3.87Å; F182-A190 HydrophobicContact CE1-CB 3.96Å; F182-A190 HydrophobicContact CG-CB 4.36Å; F182-L410 HydrophobicContact CB-CD1 4.49Å; F182-L410 HydrophobicContact CB-CD2 4.35Å; F182-Y1332 AromaticContact CE2-CD2 3.5Å; F182-Y1332 HydrophobicContact CE2-CD2 3.5Å; F182-Y1332 VanDerWaalsContact CE2-CD2 3.5Å; F182-Y1332 AromaticContact CE2-CE2 3.6Å; F182-Y1332 HydrophobicContact CE2-CE2 3.6Å; F182-Y1332 AromaticContact CZ-CD2 3.43Å; F182-Y1332 HydrophobicContact CZ-CD2 3.43Å; F182-Y1332 VanDerWaalsContact CZ-CD2 3.43Å; F182-Y1332 AromaticContact CZ-CE2 3.78Å; F182-Y1332 HydrophobicContact CZ-CE2 3.78Å; F182-Y1332 HydrophobicContact CZ-CG 4.09Å; F182-F1333 HydrophobicContact CE1-CE2 4.44Å; F182-F1333 HydrophobicContact CE1-CZ 4.37Å; F182-F1333 HydrophobicContact CZ-CE2 4.35Å; F182-L1368 HydrophobicContact CE1-CD1 3.77Å; F182-L1368 HydrophobicContact CZ-CD1 3.96Å
183F91.9Very high90.1Very high0 Ų020.8 Ų20.80%010%0.095CC..  trans-82.6178.5165.4-64.8-79.8000110.4V30 V139 L141 C161 R163 H187 C189 I191V30-F183 HydrophobicContact CG1-CZ 4.4Å; V30-F183 HydrophobicContact CG2-CE2 4.3Å; V30-F183 HydrophobicContact CG2-CZ 3.93Å; V139-F183 HydrophobicContact CG1-CE1 4.11Å; V139-F183 HydrophobicContact CG1-CZ 3.75Å; L141-F183 HydrophobicContact CB-CD1 3.76Å; L141-F183 HydrophobicContact CB-CE1 3.67Å; L141-F183 HydrophobicContact CB-CE2 4.44Å; L141-F183 HydrophobicContact CB-CG 4.17Å; L141-F183 HydrophobicContact CB-CZ 4.01Å; L141-F183 HydrophobicContact CD1-CE2 4.45Å; L141-F183 HydrophobicContact CD2-CB 4.41Å; L141-F183 HydrophobicContact CD2-CD2 4.42Å; L141-F183 HydrophobicContact CD2-CG 4.21Å; C161-F183 HydrophobicContact CB-CB 4.31Å; C161-F183 HydrophobicContact CB-CD1 3.88Å; C161-F183 HydrophobicContact CB-CG 4.49Å; R163-F183 HydrophobicContact CG-CD1 4.39Å; R163-F183 PolarHBondContact NH2-O 3.27Å; F183-H187 WeakPolarHBondContact CB-O 3.42Å; F183-C189 WeakPolarHBondContact CD2-SG 3.4Å; F183-C189 PolarHBondContact N-O 3.32Å; F183-I191 HydrophobicContact CE2-CB 4.4Å; F183-I191 HydrophobicContact CE2-CG2 3.88Å; F183-I191 HydrophobicContact CZ-CG2 4.17Å
184D86Confident90.7Very high32 Ų3217.8 Ų17.817%0.1718%0.084CC..  trans-69.7166.1-171.468.161.6000113.9C161 F186 H187 L188C161-D184 WeakPolarHBondContact CB-OD2 3.34Å; C161-D184 PolarHBondContact SG-OD2 2.66Å; D184-F186 PolarHBondContact O-N 3.05Å; D184-F186 VanDerWaalsContact O-N 3.12Å; D184-F186 WeakPolarHBondContact OD1-CA 3.41Å; D184-F186 WeakPolarHBondContact OD1-CB 3.22Å; D184-F186 PolarHBondContact OD1-N 3.42Å; D184-H187 CarbonylContact O-C 3.53Å; D184-H187 PolarHBondContact O-N 3.47Å; D184-H187 IonicContact OD1-CE1 3.57Å; D184-H187 IonicContact OD1-CG 2.74Å; D184-H187 PolarHBondContact OD1-N 3.13Å; D184-H187 IonicContact OD1-ND1 3.51Å; D184-H187 PolarHBondContact OD1-ND1 3.07Å; D184-H187 IonicContact OD2-CE1 2.97Å; D184-H187 IonicContact OD2-ND1 3.73Å; D184-H187 PolarHBondContact OD2-ND1 3.05Å; D184-L188 WeakPolarHBondContact O-CA 3.2Å; D184-L188 PolarHBondContact O-N 2.8Å
185Y79Confident91.1Very high61 Ų6117.3 Ų17.324%0.2398%0.079CC..G310 helixtrans-45.6-38.6175.5176.9-114.7000115.5C1357 R1360 L1361 E1595Y185-C1357 PolarHBondContact OH-O 3.4Å; Y185-C1357 VanDerWaalsContact OH-O 3.07Å; Y185-R1360 VanDerWaalsContact CD2-NH1 3.32Å; Y185-R1360 HydrophobicContact CE2-CB 4.24Å; Y185-R1360 HydrophobicContact CE2-CG 4.33Å; Y185-R1360 PolarHBondContact O-NH1 2.82Å; Y185-L1361 HydrophobicContact CD2-CD1 3.79Å; Y185-L1361 HydrophobicContact CD2-CD2 3.89Å; Y185-L1361 HydrophobicContact CD2-CG 3.58Å; Y185-L1361 HydrophobicContact CE2-CD1 4.44Å; Y185-L1361 HydrophobicContact CE2-CG 3.99Å; Y185-L1361 HydrophobicContact CG-CD1 4.42Å; Y185-E1595 PolarHBondContact N-OE1 3.41Å
186F80.4Confident91.3Very high139 Ų13917.2 Ų17.261%0.618%0.078SC*.G310 helixtrans-78.1-29.1-179.4-60.9-79.1000112D184D184-F186 PolarHBondContact O-N 3.05Å; D184-F186 VanDerWaalsContact O-N 3.12Å; D184-F186 WeakPolarHBondContact OD1-CA 3.41Å; D184-F186 WeakPolarHBondContact OD1-CB 3.22Å; D184-F186 PolarHBondContact OD1-N 3.42Å
187H86.8Confident91.4Very high34 Ų3416.6 Ų16.616%0.1578%0.075CC..G310 helixtrans-114.545.1-179.4-49.996.3000111.4L22 L141 C161 F183 D184 C189L22-H187 VanDerWaalsContact CD2-C 3.46Å; L22-H187 HydrophobicContact CD2-CB 4.25Å; L141-H187 HydrophobicContact CD2-CB 3.77Å; C161-H187 HydrophobicContact CB-CB 4.47Å; F183-H187 WeakPolarHBondContact CB-O 3.42Å; D184-H187 CarbonylContact O-C 3.53Å; D184-H187 PolarHBondContact O-N 3.47Å; D184-H187 IonicContact OD1-CE1 3.57Å; D184-H187 IonicContact OD1-CG 2.74Å; D184-H187 PolarHBondContact OD1-N 3.13Å; D184-H187 IonicContact OD1-ND1 3.51Å; D184-H187 PolarHBondContact OD1-ND1 3.07Å; D184-H187 IonicContact OD2-CE1 2.97Å; D184-H187 IonicContact OD2-ND1 3.73Å; D184-H187 PolarHBondContact OD2-ND1 3.05Å; H187-C189 PolarHBondContact O-N 3.42Å; H187-C189 PolarHBondContact O-SG 3.15Å
188L85.7Confident91.5Very high4 Ų415.2 Ų15.22%0.0217%0.07CC..  trans-67.292.2-167.5-167.160.8000112.1I20 D21 D184 L1361 V1364I20-L188 HydrophobicContact CB-CG 4.3Å; I20-L188 WeakPolarHBondContact CB-O 3.34Å; I20-L188 HydrophobicContact CD1-CG 4.46Å; I20-L188 HydrophobicContact CG2-CD2 4.42Å; I20-L188 HydrophobicContact CG2-CG 4.35Å; I20-L188 PolarHBondContact N-O 2.97Å; D21-L188 PolarHBondContact N-O 3.47Å; D184-L188 WeakPolarHBondContact O-CA 3.2Å; D184-L188 PolarHBondContact O-N 2.8Å; L188-L1361 HydrophobicContact CD1-CD2 4.2Å; L188-L1361 HydrophobicContact CD2-CD2 4.01Å; L188-V1364 HydrophobicContact CD2-CG1 4.35Å; L188-V1364 HydrophobicContact CD2-CG2 4.01Å
189C91.4Very high91.6Very high0 Ų015.2 Ų15.20%07%0.07CC..EExtended strand (participates in β ladder)trans-144.3166.9171.365.90000109.3F17 H18 L22 F183 H187F17-C189 HydrophobicContact CE1-CB 4.42Å; F17-C189 HydrophobicContact CE2-CB 4.37Å; F17-C189 HydrophobicContact CZ-CB 3.91Å; H18-C189 CarbonylContact O-C 3.58Å; H18-C189 VanDerWaalsContact O-CA 3.26Å; H18-C189 WeakPolarHBondContact O-CA 3.48Å; H18-C189 WeakPolarHBondContact O-CB 3.41Å; L22-C189 HydrophobicContact CD1-CB 3.83Å; L22-C189 HydrophobicContact CD2-CB 4.15Å; L22-C189 HydrophobicContact CG-CB 3.94Å; F183-C189 WeakPolarHBondContact CD2-SG 3.4Å; F183-C189 PolarHBondContact N-O 3.32Å; H187-C189 PolarHBondContact O-N 3.42Å; H187-C189 PolarHBondContact O-SG 3.15Å
190A93.3Very high91.7Very high0 Ų014.9 Ų14.90%07%0.069CC..EExtended strand (participates in β ladder)trans-128.3152.4177.400000112H18 I20 T180 V181 F182 F1333H18-A190 HydrophobicContact CB-CB 4.46Å; H18-A190 PolarHBondContact N-O 3.22Å; H18-A190 PolarHBondContact O-N 3.47Å; I20-A190 HydrophobicContact CD1-CB 4.09Å; T180-A190 HydrophobicContact CG2-CB 3.91Å; V181-A190 CarbonylContact O-C 3.6Å; V181-A190 VanDerWaalsContact O-CA 3.26Å; V181-A190 WeakPolarHBondContact O-CA 3.14Å; F182-A190 HydrophobicContact CD1-CB 3.87Å; F182-A190 HydrophobicContact CE1-CB 3.96Å; F182-A190 HydrophobicContact CG-CB 4.36Å; A190-F1333 HydrophobicContact CB-CE2 3.69Å; A190-F1333 HydrophobicContact CB-CZ 3.93Å
191I94.6Very high91.7Very high0 Ų016 Ų160%07%0.074CC..EExtended strand (participates in β ladder)trans-123.7132.3170.1-173.9168.1000110.5L14 V30 L109 V139 V181 F183 L193L14-I191 HydrophobicContact CB-CD1 4.34Å; L14-I191 HydrophobicContact CD2-CD1 4.22Å; V30-I191 HydrophobicContact CB-CD1 3.98Å; V30-I191 HydrophobicContact CG1-CD1 3.68Å; L109-I191 HydrophobicContact CD1-CD1 3.78Å; L109-I191 HydrophobicContact CD1-CG1 4.46Å; V139-I191 HydrophobicContact CG1-CG2 4.23Å; V181-I191 HydrophobicContact CB-CG2 4.1Å; V181-I191 PolarHBondContact N-O 3.47Å; V181-I191 PolarHBondContact O-N 3.29Å; F183-I191 HydrophobicContact CE2-CB 4.4Å; F183-I191 HydrophobicContact CE2-CG2 3.88Å; F183-I191 HydrophobicContact CZ-CG2 4.17Å; I191-L193 HydrophobicContact CD1-CD2 3.94Å; I191-L193 HydrophobicContact CG1-CD2 3.92Å; I191-L193 HydrophobicContact CG1-CG 4.46Å; I191-L193 HydrophobicContact CG2-CD1 4.44Å; I191-L193 HydrophobicContact CG2-CD2 4.32Å; I191-L193 HydrophobicContact CG2-CG 4.26Å
192E94.6Very high91.7Very high2 Ų216 Ų161%0.0097%0.073CC..EExtended strand (participates in β ladder)trans-83.9127.3169.6-66.4-141.6147.800110.9R15 D16 H178 R348R15-E192 HydrophobicContact CB-CB 4.12Å; R15-E192 WeakPolarHBondContact CB-O 3.19Å; R15-E192 PolarHBondContact N-O 3.43Å; D16-E192 HydrophobicContact CB-CB 4.37Å; D16-E192 HydrophobicContact CB-CG 4.39Å; D16-E192 PolarHBondContact O-N 3.27Å; H178-E192 IonicContact CE1-OE2 2.73Å; H178-E192 PolarHBondContact CE1-OE2 3.04Å; E192-R348 WeakPolarHBondContact OE1-CD 3.46Å; E192-R348 IonicContact OE1-CZ 2.72Å; E192-R348 IonicContact OE1-NE 2.88Å; E192-R348 IonicContact OE1-NH1 2.7Å; E192-R348 PolarHBondContact OE1-NH1 2.85Å; E192-R348 WeakPolarHBondContact OE2-CD 3.39Å; E192-R348 IonicContact OE2-CZ 3.45Å; E192-R348 IonicContact OE2-NE 2.69Å; E192-R348 PolarHBondContact OE2-NE 2.85Å; E192-R348 IonicContact OE2-NH1 2.71Å; E192-R348 PolarHBondContact OE2-NH1 2.95Å
193L94.8Very high91.7Very high1 Ų117.3 Ų17.31%0.0058%0.082CC..EExtended strand (participates in β ladder)trans-124.8137.4-176.8-60178.8000110.3E13 L14 V139 L165 H178 F179 V181 I191E13-L193 WeakPolarHBondContact O-CA 3.4Å; L14-L193 HydrophobicContact CD2-CD2 3.35Å; V139-L193 HydrophobicContact CG2-CD1 4Å; L165-L193 HydrophobicContact CD1-CD1 4.1Å; H178-L193 CarbonylContact C-O 3.49Å; H178-L193 VanDerWaalsContact CA-O 3.31Å; H178-L193 WeakPolarHBondContact CA-O 3.36Å; H178-L193 PolarHBondContact ND1-O 3.12Å; F179-L193 HydrophobicContact CD2-CB 4.37Å; F179-L193 HydrophobicContact CE2-CB 3.96Å; F179-L193 HydrophobicContact CE2-CD1 3.88Å; F179-L193 HydrophobicContact CE2-CG 4.48Å; F179-L193 HydrophobicContact CZ-CB 4.03Å; F179-L193 HydrophobicContact CZ-CD1 4.31Å; F179-L193 PolarHBondContact N-O 3.3Å; F179-L193 PolarHBondContact O-N 2.81Å; V181-L193 HydrophobicContact CB-CD1 4.4Å; V181-L193 HydrophobicContact CG2-CD1 3.67Å; V181-L193 HydrophobicContact CG2-CG 4.48Å; I191-L193 HydrophobicContact CD1-CD2 3.94Å; I191-L193 HydrophobicContact CG1-CD2 3.92Å; I191-L193 HydrophobicContact CG1-CG 4.46Å; I191-L193 HydrophobicContact CG2-CD1 4.44Å; I191-L193 HydrophobicContact CG2-CD2 4.32Å; I191-L193 HydrophobicContact CG2-CG 4.26Å
194A95Very high91.3Very high1 Ų118.1 Ų18.11%0.0089%0.088CC..EExtended strand (participates in β ladder)trans-112.7140.6158.800000110.3E13 Y177 H178 Y196E13-A194 HydrophobicContact CB-CB 3.84Å; E13-A194 HydrophobicContact CG-CB 4.38Å; E13-A194 PolarHBondContact N-O 3.29Å; E13-A194 PolarHBondContact O-N 2.9Å; Y177-A194 WeakPolarHBondContact O-CA 3.15Å; H178-A194 HydrophobicContact CB-CB 4.19Å; A194-Y196 HydrophobicContact CB-CE2 3.71Å
195L95.2Very high90.7Very high1 Ų118.7 Ų18.71%0.00510%0.095CC..EExtended strand (participates in β ladder)trans-130.4117.1-179.4-174.363.2000109.5L10 V12 I167 L175 Y177 F179 V405L10-L195 HydrophobicContact CD2-CD1 4.18Å; V12-L195 HydrophobicContact CG2-CD1 3.89Å; I167-L195 HydrophobicContact CD1-CD2 3.71Å; I167-L195 HydrophobicContact CG1-CD2 3.86Å; L175-L195 HydrophobicContact CD2-CD2 3.53Å; L175-L195 HydrophobicContact CD2-CG 3.95Å; Y177-L195 PolarHBondContact N-O 3.2Å; Y177-L195 VanDerWaalsContact N-O 3.08Å; Y177-L195 PolarHBondContact O-N 2.88Å; F179-L195 HydrophobicContact CE1-CB 4.02Å; L195-V405 HydrophobicContact CD2-CG2 3.97Å
196Y95.4Very high90.1Very high2 Ų216 Ų161%0.0088%0.084CC..EExtended strand (participates in β ladder)trans-117.4117.8176.3-48.8-84.8000108.6L10 V11 L175 H176 A194 F270 F330 V337 T338 L347L10-Y196 CarbonylContact C-O 3.59Å; L10-Y196 VanDerWaalsContact CA-O 3.3Å; L10-Y196 WeakPolarHBondContact CA-O 3.44Å; V11-Y196 PolarHBondContact N-O 3.07Å; V11-Y196 PolarHBondContact O-N 3.43Å; L175-Y196 CarbonylContact O-C 3.12Å; L175-Y196 VanDerWaalsContact O-CA 3.27Å; L175-Y196 WeakPolarHBondContact O-CA 3.5Å; H176-Y196 HydrophobicContact CB-CD1 4.24Å; H176-Y196 AromaticContact ND1-CD1 3.88Å; A194-Y196 HydrophobicContact CB-CE2 3.71Å; Y196-F270 HydrophobicContact CD1-CE1 4.25Å; Y196-F270 HydrophobicContact CD1-CZ 4.36Å; Y196-F270 HydrophobicContact CE1-CE1 4.36Å; Y196-F270 HydrophobicContact CE1-CZ 4.13Å; Y196-F330 WeakPolarHBondContact O-CZ 3.31Å; Y196-V337 HydrophobicContact CD1-CG2 3.85Å; Y196-V337 HydrophobicContact CE1-CB 4.22Å; Y196-V337 HydrophobicContact CE1-CG2 3.56Å; Y196-V337 HydrophobicContact CE2-CG2 4.32Å; Y196-V337 HydrophobicContact CG-CG2 4.35Å; Y196-T338 HydrophobicContact CD2-CG2 4.27Å; Y196-T338 HydrophobicContact CE2-CG2 3.94Å; Y196-L347 HydrophobicContact CE1-CD1 4.41Å
197G95Very high89.2Confident0 Ų013.9 Ų13.90%08%0.078CC..EExtended strand (participates in β ladder)trans-138.3144.8-178.700000112.8S9 G174 L175S9-G197 VanDerWaalsContact O-CA 3.28Å; S9-G197 WeakPolarHBondContact O-CA 3.37Å; G174-G197 CarbonylContact C-O 3.12Å; G174-G197 WeakPolarHBondContact CA-O 3.24Å; L175-G197 PolarHBondContact N-O 3.02Å; L175-G197 PolarHBondContact O-N 2.85Å
198A95.1Very high87.7Confident1 Ų116.1 Ų16.11%0.00810%0.098CC..EExtended strand (participates in β ladder)trans-153.6159.5176.900000112.2L8 S9 T200 M267 F330L8-A198 WeakPolarHBondContact CA-O 3.26Å; S9-A198 PolarHBondContact N-O 3.48Å; S9-A198 PolarHBondContact O-N 2.82Å; A198-T200 PolarHBondContact O-N 3.36Å; A198-M267 HydrophobicContact CB-CE 4.09Å; A198-M267 HydrophobicContact CB-CG 4.11Å; A198-M267 HydrophobicContact CB-SD 3.66Å; A198-F330 HydrophobicContact CB-CD2 3.71Å; A198-F330 HydrophobicContact CB-CE2 3.96Å
199L95.2Very high86.5Confident0 Ų019.8 Ų19.80%011%0.111CC..EExtended strand (participates in β ladder)trans-73.8115.2164.9179.371.8000109.3A6 L8 L130 P171 I202 I259 L260 A263A6-L199 HydrophobicContact CB-CD1 4.03Å; L8-L199 HydrophobicContact CD2-CB 4.16Å; L8-L199 HydrophobicContact CD2-CD1 4.12Å; L130-L199 HydrophobicContact CD1-CD1 4.23Å; P171-L199 HydrophobicContact CB-CB 4.49Å; P171-L199 HydrophobicContact CB-CD2 4.24Å; L199-I202 HydrophobicContact CD1-CG1 4.48Å; L199-I202 HydrophobicContact CD2-CD1 4.34Å; L199-I259 HydrophobicContact CD2-CG2 3.58Å; L199-L260 HydrophobicContact CD2-CD2 4.08Å; L199-L260 HydrophobicContact CG-CD2 4.31Å; L199-A263 HydrophobicContact CB-CB 4.27Å
200T95.8Very high84.5Confident2 Ų223 Ų231%0.01213%0.133CC..EExtended strand (participates in β ladder)trans-110.8-27.6-173.751.20000114T7 S9 A198 S323 T327 F330T7-T200 PolarHBondContact O-N 2.88Å; T7-T200 PolarHBondContact O-OG1 2.88Å; S9-T200 PolarHBondContact OG-OG1 3.21Å; A198-T200 PolarHBondContact O-N 3.36Å; T200-S323 CarbonylContact O-C 3.48Å; T200-S323 WeakPolarHBondContact O-CA 3.48Å; T200-T327 PolarHBondContact O-OG1 2.72Å; T200-F330 HydrophobicContact CG2-CB 3.8Å; T200-F330 HydrophobicContact CG2-CD1 4.04Å; T200-F330 HydrophobicContact CG2-CG 3.87Å
201N94.8Very high82.1Confident47 Ų4731.6 Ų31.625%0.25117%0.17SC..EExtended strand (participates in β ladder)trans-150.6152.6-176.7-175.732.8000113.2T7 S323T7-N201 PolarHBondContact N-O 3.37Å; N201-S323 WeakPolarHBondContact OD1-CB 3.28Å; N201-S323 PolarHBondContact OD1-OG 2.85Å
202I94Very high79.6Confident3 Ų339.9 Ų39.92%0.01521%0.206CC..EExtended strand (participates in β ladder)trans-136.3128.7171.3-62.5175000109I4 Q5 L126 L199 W233 L256 L260 V319 S323I4-I202 HydrophobicContact CD1-CG2 3.76Å; Q5-I202 CarbonylContact O-C 3.5Å; Q5-I202 WeakPolarHBondContact O-CA 3.4Å; L126-I202 HydrophobicContact CD1-CD1 3.74Å; L199-I202 HydrophobicContact CD1-CG1 4.48Å; L199-I202 HydrophobicContact CD2-CD1 4.34Å; I202-W233 HydrophobicContact CG2-CH2 4.23Å; I202-W233 HydrophobicContact CG2-CZ2 4.38Å; I202-L256 HydrophobicContact CD1-CD2 4.11Å; I202-L260 HydrophobicContact CD1-CD1 4.02Å; I202-L260 HydrophobicContact CD1-CD2 4.01Å; I202-L260 HydrophobicContact CD1-CG 3.87Å; I202-L260 HydrophobicContact CG1-CD2 4.22Å; I202-V319 HydrophobicContact CB-CG1 3.79Å; I202-V319 HydrophobicContact CG2-CG1 3.98Å; I202-V319 WeakPolarHBondContact O-CG1 3.5Å; I202-S323 PolarHBondContact N-OG 3.47Å; I202-S323 VanDerWaalsContact N-OG 3.16Å
203T91.4Very high76.6Confident34 Ų3444 Ų4421%0.20924%0.235CC..EExtended strand (participates in β ladder)trans-127.6146178.1600000112.7Q5 S205Q5-T203 PolarHBondContact N-O 2.82Å; Q5-T203 PolarHBondContact O-N 3.35Å; T203-S205 PolarHBondContact OG1-O 3.21Å; T203-S205 VanDerWaalsContact OG1-O 3.09Å
204S84Confident73.7Confident17 Ų1749.6 Ų49.612%0.11927%0.272CS..SBendtrans-73.8-28.117560.10000113.5Q231S204-Q231 CarbonylContact C-O 3.59Å; S204-Q231 VanDerWaalsContact C-O 3.3Å; S204-Q231 WeakPolarHBondContact CB-O 3.27Å; S204-Q231 PolarHBondContact OG-O 3.21Å
205S73.1Confident71Confident44 Ų4457.9 Ų57.931%0.30831%0.31SS..SBendtrans-86.3141.4176.6510000111.3T203 A229 Q231T203-S205 PolarHBondContact OG1-O 3.21Å; T203-S205 VanDerWaalsContact OG1-O 3.09Å; S205-A229 WeakPolarHBondContact CB-O 3.19Å; S205-Q231 PolarHBondContact N-O 2.8Å
206I66.8Low67.9Low5 Ų565 Ų653%0.02635%0.348CS..PPolyproline II helixtrans-97.7117.8173.7-58.4-174.1000108.8L3 Q120 S208 L228 A229L3-I206 HydrophobicContact CB-CD1 3.72Å; Q120-I206 HydrophobicContact CG-CD1 4.05Å; Q120-I206 HydrophobicContact CG-CG2 4.02Å; I206-S208 PolarHBondContact O-N 3.17Å; I206-L228 HydrophobicContact CB-CB 4.28Å; I206-L228 HydrophobicContact CD1-CB 4.13Å; I206-L228 HydrophobicContact CD1-CD1 4.35Å; I206-L228 HydrophobicContact CD1-CD2 4.15Å; I206-L228 HydrophobicContact CD1-CG 4.43Å; I206-L228 HydrophobicContact CG1-CB 4.42Å; I206-L228 PolarHBondContact N-O 2.96Å; I206-A229 VanDerWaalsContact O-CA 3.24Å; I206-A229 WeakPolarHBondContact O-CA 3.45Å; I206-A229 WeakPolarHBondContact O-CB 3.36Å
207I62Low65.1Low93 Ų9370.4 Ų70.448%0.47738%0.381SS..PPolyproline II helixtrans-65.9131.3179.8-63176.7000108.8L118 W209L118-I207 HydrophobicContact CD1-CD1 4.19Å; I207-W209 PolarHBondContact O-N 2.62Å
208S55.3Low62.2Low82 Ų8276.7 Ų76.757%0.57342%0.422SS*.PPolyproline II helixtrans-70.8123.817757.10000110.7I206I206-S208 PolarHBondContact O-N 3.17Å
209W59.5Low59.4Low80 Ų8083.1 Ų83.130%0.30346%0.455SS..PPolyproline II helixtrans-72.8129-167.4-62.733.3000110.9S51 A53 F54 I207 K211S51-W209 VanDerWaalsContact CB-CH2 3.47Å; S51-W209 WeakPolarHBondContact O-CH2 3.33Å; S51-W209 WeakPolarHBondContact O-CZ2 3.24Å; S51-W209 WeakPolarHBondContact OG-CH2 3.23Å; A53-W209 VanDerWaalsContact O-CH2 3.27Å; A53-W209 WeakPolarHBondContact O-CH2 3.32Å; F54-W209 HydrophobicContact CB-CD2 3.85Å; F54-W209 HydrophobicContact CB-CE3 3.81Å; F54-W209 HydrophobicContact CB-CH2 3.78Å; F54-W209 HydrophobicContact CB-CZ2 3.78Å; F54-W209 HydrophobicContact CB-CZ3 3.76Å; F54-W209 HydrophobicContact CD2-CD2 4.05Å; F54-W209 AromaticContact CD2-CE3 3.57Å; F54-W209 HydrophobicContact CD2-CE3 3.57Å; F54-W209 HydrophobicContact CD2-CZ3 4.02Å; F54-W209 HydrophobicContact CG-CD2 4.23Å; F54-W209 HydrophobicContact CG-CE3 4.09Å; F54-W209 HydrophobicContact CG-CZ3 4.4Å; F54-W209 VanDerWaalsContact N-CH2 3.26Å; I207-W209 PolarHBondContact O-N 2.62Å; W209-K211 PolarHBondContact O-N 2.91Å
210P49.6Very low56.8Low69 Ų6992.2 Ų92.245%0.44850%0.498SS..  trans-69.5106.8177.128.3-33.3000110F54 F212F54-P210 HydrophobicContact CE2-CG 4.46Å; F54-P210 HydrophobicContact CZ-CG 4.01Å; P210-F212 VanDerWaalsContact C-N 3.35Å; P210-F212 HydrophobicContact CB-CD2 4.13Å; P210-F212 HydrophobicContact CB-CE2 3.78Å; P210-F212 HydrophobicContact CG-CD2 4.39Å; P210-F212 HydrophobicContact CG-CE2 3.98Å; P210-F212 PolarHBondContact O-N 2.9Å
211K42.3Very low54.3Low180 Ų18096.6 Ų96.678%0.78353%0.525SS*.  trans-74.186.7172-74.2-173.4175.8-176.70110.1W209 S213W209-K211 PolarHBondContact O-N 2.91Å; K211-S213 PolarHBondContact O-N 2.96Å
212F42.4Very low52Low174 Ų17498 Ų9876%0.76353%0.532SS*.  trans-69.382.4165.9-72.5-78.2000110.3P210P210-F212 VanDerWaalsContact C-N 3.35Å; P210-F212 HydrophobicContact CB-CD2 4.13Å; P210-F212 HydrophobicContact CB-CE2 3.78Å; P210-F212 HydrophobicContact CG-CD2 4.39Å; P210-F212 HydrophobicContact CG-CE2 3.98Å; P210-F212 PolarHBondContact O-N 2.9Å
213S32.4Very low50.1Low89 Ų89103.9 Ų103.962%0.62256%0.564SS**  trans-107.6111.6167.9-1800000108.3K211 H215K211-S213 PolarHBondContact O-N 2.96Å; S213-H215 PolarHBondContact O-N 3.29Å
214P34.1Very low48.4Very low118 Ų118108 Ų10877%0.76658%0.581SS**SBendtrans-76.175.3174.932.2-34000109.9
215H38.1Very low47.1Very low174 Ų174109.7 Ų109.781%0.80659%0.588SS**SBendtrans178150.2148.7-88.2-48.9000111S213 T217S213-H215 PolarHBondContact O-N 3.29Å; H215-T217 PolarHBondContact O-N 2.71Å
216N30.8Very low46.3Very low152 Ų152110 Ų11081%0.81359%0.586SS**  trans-54.1119.8-167.7-57.4-22000115.6
217T35.5Very low46Very low115 Ų115113.3 Ų113.371%0.70661%0.609SS**  176.4142.512426.80000111.3H215 L219H215-T217 PolarHBondContact O-N 2.71Å; T217-L219 VanDerWaalsContact C-N 3.32Å; T217-L219 PolarHBondContact O-N 2.97Å
218P35.2Very low45.9Very low132 Ų132110.6 Ų110.686%0.85760%0.596SS**  trans-76.980.3173.932.2-34.3000111Q220P218-Q220 PolarHBondContact O-N 3.49Å
219L35.3Very low46.1Very low135 Ų135107.9 Ų107.971%0.70758%0.578SS**  trans-59126.1173.1-83.9163.2000111T217 T221T217-L219 VanDerWaalsContact C-N 3.32Å; T217-L219 PolarHBondContact O-N 2.97Å; L219-T221 PolarHBondContact O-N 3.16Å
220Q40.1Very low46.3Very low191 Ų191109 Ų10989%0.89359%0.587SS**  trans-47.3124.6-174.4-70.6177.6-18.300112.8P218 N222P218-Q220 PolarHBondContact O-N 3.49Å; Q220-N222 PolarHBondContact O-N 2.82Å
221T43Very low47.4Very low95 Ų95106.9 Ų106.958%0.58357%0.571SS**  trans-67.4103.6172.425.20000109.7L219 N223L219-T221 PolarHBondContact O-N 3.16Å; T221-N223 PolarHBondContact O-N 3.35Å
222N47.5Very low49.4Very low75 Ų75102 Ų10240%0.40156%0.556SS.*  trans-51.8119.5-178.3-166.9-28000111Q220 Q224 L225Q220-N222 PolarHBondContact O-N 2.82Å; N222-Q224 PolarHBondContact O-N 3.26Å; N222-L225 WeakPolarHBondContact O-CB 3.25Å; N222-L225 PolarHBondContact O-N 2.95Å
223N53.2Low51.3Low127 Ų12794.4 Ų94.468%0.67952%0.522SS*.Hα-helixtrans-49.2-32.3-164.7-72.9-7.6000115T221 L225 I226 S227T221-N223 PolarHBondContact O-N 3.35Å; N223-L225 VanDerWaalsContact C-N 3.26Å; N223-L225 PolarHBondContact O-N 3.43Å; N223-I226 WeakPolarHBondContact O-CB 3.5Å; N223-I226 PolarHBondContact O-N 3.34Å; N223-S227 PolarHBondContact O-N 3.28Å; N223-S227 VanDerWaalsContact O-N 3.12Å
224Q56.7Low53.7Low120 Ų12093 Ų9356%0.56151%0.506SS*.Hα-helixtrans-58.7-33175.2-65.1176.3-13.300113.7N222 I226 S227 L228N222-Q224 PolarHBondContact O-N 3.26Å; Q224-I226 VanDerWaalsContact C-N 3.35Å; Q224-S227 WeakPolarHBondContact CA-OG 3.4Å; Q224-S227 PolarHBondContact O-OG 2.89Å; Q224-L228 WeakPolarHBondContact O-CD1 3.48Å; Q224-L228 WeakPolarHBondContact O-CG 3.34Å; Q224-L228 PolarHBondContact O-N 3.15Å
225L55.4Low55.9Low53 Ų5388.8 Ų88.828%0.27748%0.484SS..Hα-helixtrans-72-31175.1-74.9166.6000111.7K50 N222 N223 L228 A229K50-L225 HydrophobicContact CD-CD2 4.5Å; N222-L225 WeakPolarHBondContact O-CB 3.25Å; N222-L225 PolarHBondContact O-N 2.95Å; N223-L225 VanDerWaalsContact C-N 3.26Å; N223-L225 PolarHBondContact O-N 3.43Å; L225-L228 PolarHBondContact O-N 2.89Å; L225-A229 VanDerWaalsContact O-CB 3.32Å; L225-A229 WeakPolarHBondContact O-CB 3.35Å; L225-A229 PolarHBondContact O-N 2.87Å
226I57.6Low57.9Low50 Ų5080.6 Ų80.626%0.25645%0.446SS..Hα-helixtrans-68.9-45.1176.3-57.6175.6000109.6N223 Q224 L228 A229 Q230 W1007N223-I226 WeakPolarHBondContact O-CB 3.5Å; N223-I226 PolarHBondContact O-N 3.34Å; Q224-I226 VanDerWaalsContact C-N 3.35Å; I226-L228 VanDerWaalsContact C-N 3.3Å; I226-L228 PolarHBondContact O-N 2.86Å; I226-A229 PolarHBondContact O-N 3.09Å; I226-Q230 WeakPolarHBondContact O-CG 3.49Å; I226-Q230 PolarHBondContact O-N 2.78Å; I226-W1007 HydrophobicContact CG2-CH2 3.91Å
227S59.6Low60.1Low75 Ų7573.6 Ų73.652%0.52441%0.409SS..Hα-helixtrans-64.2-32175.955.20000113.7N223 Q224 Q231N223-S227 PolarHBondContact O-N 3.28Å; N223-S227 VanDerWaalsContact O-N 3.12Å; Q224-S227 WeakPolarHBondContact CA-OG 3.4Å; Q224-S227 PolarHBondContact O-OG 2.89Å; S227-Q231 PolarHBondContact O-N 3.49Å
228L59.9Low62Low37 Ų3771 Ų7119%0.19439%0.394CS..Hα-helixtrans-77.2-32.1175.3-70.3169.9000112.5I206 Q224 L225 I226 Q230 Q231I206-L228 HydrophobicContact CB-CB 4.28Å; I206-L228 HydrophobicContact CD1-CB 4.13Å; I206-L228 HydrophobicContact CD1-CD1 4.35Å; I206-L228 HydrophobicContact CD1-CD2 4.15Å; I206-L228 HydrophobicContact CD1-CG 4.43Å; I206-L228 HydrophobicContact CG1-CB 4.42Å; I206-L228 PolarHBondContact N-O 2.96Å; Q224-L228 WeakPolarHBondContact O-CD1 3.48Å; Q224-L228 WeakPolarHBondContact O-CG 3.34Å; Q224-L228 PolarHBondContact O-N 3.15Å; L225-L228 PolarHBondContact O-N 2.89Å; I226-L228 VanDerWaalsContact C-N 3.3Å; I226-L228 PolarHBondContact O-N 2.86Å; L228-Q230 VanDerWaalsContact C-N 3.3Å; L228-Q231 VanDerWaalsContact CD2-OE1 3.25Å; L228-Q231 WeakPolarHBondContact O-CB 3.35Å; L228-Q231 PolarHBondContact O-N 2.87Å
229A60.2Low63.8Low24 Ų2467.3 Ų67.320%0.19837%0.372CS..Hα-helixtrans-71.1-26.9174.100000113S205 I206 L225 I226S205-A229 WeakPolarHBondContact CB-O 3.19Å; I206-A229 VanDerWaalsContact O-CA 3.24Å; I206-A229 WeakPolarHBondContact O-CA 3.45Å; I206-A229 WeakPolarHBondContact O-CB 3.36Å; L225-A229 VanDerWaalsContact O-CB 3.32Å; L225-A229 WeakPolarHBondContact O-CB 3.35Å; L225-A229 PolarHBondContact O-N 2.87Å; I226-A229 PolarHBondContact O-N 3.09Å
230Q62.7Low65.6Low103 Ų10361.9 Ų61.948%0.48134%0.343SS..THydrogen-bonded Turntrans-9610.3176-64.2178-11.600113.2I226 L228 T232 W1007I226-Q230 WeakPolarHBondContact O-CG 3.49Å; I226-Q230 PolarHBondContact O-N 2.78Å; L228-Q230 VanDerWaalsContact C-N 3.3Å; Q230-T232 PolarHBondContact O-N 3.39Å; Q230-W1007 VanDerWaalsContact NE2-CE3 3.33Å
231Q74Confident66.7Low26 Ų2662.7 Ų62.712%0.12134%0.344CS..  trans-71.2121.1-174.7-177.4156.120.500112.8S204 S205 S227 L228 I236S204-Q231 CarbonylContact C-O 3.59Å; S204-Q231 VanDerWaalsContact C-O 3.3Å; S204-Q231 WeakPolarHBondContact CB-O 3.27Å; S204-Q231 PolarHBondContact OG-O 3.21Å; S205-Q231 PolarHBondContact N-O 2.8Å; S227-Q231 PolarHBondContact O-N 3.49Å; L228-Q231 VanDerWaalsContact CD2-OE1 3.25Å; L228-Q231 WeakPolarHBondContact O-CB 3.35Å; L228-Q231 PolarHBondContact O-N 2.87Å; Q231-I236 HydrophobicContact CG-CD1 4.3Å; Q231-I236 HydrophobicContact CG-CG1 3.81Å; Q231-I236 VanDerWaalsContact NE2-CG1 3.26Å
232T82.8Confident67.8Low77 Ų7764 Ų6447%0.47234%0.343SS..  trans-98.5162.7174.563.40000111.3Q230 H234 G235 I236Q230-T232 PolarHBondContact O-N 3.39Å; T232-H234 VanDerWaalsContact C-N 3.28Å; T232-H234 PolarHBondContact O-N 3.35Å; T232-G235 WeakPolarHBondContact O-CA 3.33Å; T232-G235 PolarHBondContact O-N 3.42Å; T232-G235 VanDerWaalsContact O-N 3.07Å; T232-G235 PolarHBondContact OG1-N 3.07Å; T232-I236 WeakPolarHBondContact O-CG1 3.25Å; T232-I236 PolarHBondContact O-N 2.87Å
233W83.8Confident68.4Low14 Ų1465.3 Ų65.35%0.05336%0.356CS..Hα-helixtrans-59.7-38.1170.7-67.6106.5000112.4I4 I202 G235 I236 I237 L256 A312 I315 S316 V319I4-W233 HydrophobicContact CG2-CH2 3.79Å; I4-W233 HydrophobicContact CG2-CZ3 3.86Å; I202-W233 HydrophobicContact CG2-CH2 4.23Å; I202-W233 HydrophobicContact CG2-CZ2 4.38Å; W233-G235 VanDerWaalsContact C-N 3.33Å; W233-G235 PolarHBondContact O-N 3.39Å; W233-I236 HydrophobicContact CD2-CD1 4.17Å; W233-I236 HydrophobicContact CE3-CD1 3.55Å; W233-I236 HydrophobicContact CZ3-CD1 3.77Å; W233-I236 WeakPolarHBondContact O-CB 3.36Å; W233-I236 PolarHBondContact O-N 3.29Å; W233-I237 WeakPolarHBondContact O-CD1 3.47Å; W233-I237 VanDerWaalsContact O-CG1 3.23Å; W233-I237 WeakPolarHBondContact O-CG1 3.48Å; W233-I237 PolarHBondContact O-N 3.49Å; W233-L256 HydrophobicContact CH2-CD1 3.49Å; W233-L256 VanDerWaalsContact CH2-CD1 3.49Å; W233-L256 HydrophobicContact CZ2-CD1 4.49Å; W233-L256 HydrophobicContact CZ3-CD1 3.65Å; W233-A312 HydrophobicContact CB-CB 4.47Å; W233-I315 HydrophobicContact CB-CG2 4.33Å; W233-I315 HydrophobicContact CD2-CG2 3.58Å; W233-I315 HydrophobicContact CE3-CG2 3.58Å; W233-I315 HydrophobicContact CG-CG2 3.93Å; W233-I315 HydrophobicContact CZ3-CG2 4.15Å; W233-S316 VanDerWaalsContact CD1-CA 3.46Å; W233-S316 VanDerWaalsContact CD1-CB 3.43Å; W233-V319 HydrophobicContact CZ2-CB 4.36Å; W233-V319 HydrophobicContact CZ2-CG1 3.99Å; W233-V319 HydrophobicContact CZ2-CG2 4.47Å
234H82.9Confident69.4Low61 Ų6161.7 Ų61.728%0.28234%0.337SS..Hα-helixtrans-57.5-46.6170.5-178.6114.1000110.8T232 I236 I237 C238 D309 A312T232-H234 VanDerWaalsContact C-N 3.28Å; T232-H234 PolarHBondContact O-N 3.35Å; H234-I236 PolarHBondContact O-N 3.24Å; H234-I237 PolarHBondContact O-N 3.05Å; H234-C238 PolarHBondContact NE2-SG 3.14Å; H234-C238 WeakPolarHBondContact O-CB 3.5Å; H234-C238 PolarHBondContact O-N 2.93Å; H234-D309 IonicContact CE1-OD1 2.62Å; H234-D309 PolarHBondContact CE1-OD1 3.25Å; H234-D309 VanDerWaalsContact CE1-OD1 3.25Å; H234-D309 IonicContact CE1-OD2 3.21Å; H234-D309 IonicContact CG-OD1 3.57Å; H234-D309 IonicContact ND1-OD1 3.03Å; H234-D309 PolarHBondContact ND1-OD1 3.41Å; H234-D309 IonicContact ND1-OD2 2.71Å; H234-A312 HydrophobicContact CB-CB 3.85Å
235G78.9Confident70.3Confident29 Ų2958.3 Ų58.330%0.29932%0.319SS..Hα-helixtrans-63.1-36.2176.800000113.9T232 W233 S239T232-G235 WeakPolarHBondContact O-CA 3.33Å; T232-G235 PolarHBondContact O-N 3.42Å; T232-G235 VanDerWaalsContact O-N 3.07Å; T232-G235 PolarHBondContact OG1-N 3.07Å; W233-G235 VanDerWaalsContact C-N 3.33Å; W233-G235 PolarHBondContact O-N 3.39Å; G235-S239 PolarHBondContact O-N 2.6Å
236I80.1Confident71.5Confident2 Ų259.6 Ų59.61%0.0132%0.321CS..Hα-helixtrans-59.7-53.4170.3-69.6165.9000109.7P2 I4 Q231 T232 W233 H234 C238 S239 I240P2-I236 HydrophobicContact CB-CB 4.28Å; P2-I236 HydrophobicContact CB-CG1 4.03Å; P2-I236 HydrophobicContact CB-CG2 3.87Å; P2-I236 HydrophobicContact CG-CG2 4.11Å; I4-I236 HydrophobicContact CG2-CD1 3.64Å; Q231-I236 HydrophobicContact CG-CD1 4.3Å; Q231-I236 HydrophobicContact CG-CG1 3.81Å; Q231-I236 VanDerWaalsContact NE2-CG1 3.26Å; T232-I236 WeakPolarHBondContact O-CG1 3.25Å; T232-I236 PolarHBondContact O-N 2.87Å; W233-I236 HydrophobicContact CD2-CD1 4.17Å; W233-I236 HydrophobicContact CE3-CD1 3.55Å; W233-I236 HydrophobicContact CZ3-CD1 3.77Å; W233-I236 WeakPolarHBondContact O-CB 3.36Å; W233-I236 PolarHBondContact O-N 3.29Å; H234-I236 PolarHBondContact O-N 3.24Å; I236-C238 PolarHBondContact O-N 2.92Å; I236-S239 WeakPolarHBondContact O-CB 3.25Å; I236-S239 PolarHBondContact O-N 3.31Å; I236-S239 VanDerWaalsContact O-N 3.09Å; I236-S239 PolarHBondContact O-OG 3.02Å; I236-I240 VanDerWaalsContact O-CD1 3.24Å; I236-I240 WeakPolarHBondContact O-CD1 3.44Å
237I78.8Confident72.7Confident5 Ų563.1 Ų63.13%0.02634%0.336CS..Hα-helixtrans-66.8-38.9-175-63160.7000111.1W233 H234 S239 I240 R245 A249 A312 I315W233-I237 WeakPolarHBondContact O-CD1 3.47Å; W233-I237 VanDerWaalsContact O-CG1 3.23Å; W233-I237 WeakPolarHBondContact O-CG1 3.48Å; W233-I237 PolarHBondContact O-N 3.49Å; H234-I237 PolarHBondContact O-N 3.05Å; I237-S239 PolarHBondContact O-N 3.21Å; I237-I240 WeakPolarHBondContact O-CD1 3.39Å; I237-I240 PolarHBondContact O-N 3.49Å; I237-R245 HydrophobicContact CG2-CG 4.2Å; I237-R245 PolarHBondContact O-NE 3.35Å; I237-A249 HydrophobicContact CD1-CB 4.33Å; I237-A249 HydrophobicContact CG1-CB 4.06Å; I237-A249 HydrophobicContact CG2-CB 3.94Å; I237-A312 HydrophobicContact CD1-CB 3.79Å; I237-I315 HydrophobicContact CD1-CD1 3.69Å
238C75.4Confident73.8Confident60 Ų6062.2 Ų62.241%0.40532%0.322SS..Hα-helixtrans-64.7-22.7172.7-93.80000113.8H234 I236 I240 R245H234-C238 PolarHBondContact NE2-SG 3.14Å; H234-C238 WeakPolarHBondContact O-CB 3.5Å; H234-C238 PolarHBondContact O-N 2.93Å; I236-C238 PolarHBondContact O-N 2.92Å; C238-I240 VanDerWaalsContact C-N 3.27Å; C238-I240 PolarHBondContact O-N 3.1Å; C238-R245 PolarHBondContact SG-NH2 3.5Å
239S72.8Confident75Confident55 Ų5560.5 Ų60.539%0.38531%0.314SS..THydrogen-bonded Turntrans-74.2-15.4-179.377.60000114.1G235 I236 I237 K241G235-S239 PolarHBondContact O-N 2.6Å; I236-S239 WeakPolarHBondContact O-CB 3.25Å; I236-S239 PolarHBondContact O-N 3.31Å; I236-S239 VanDerWaalsContact O-N 3.09Å; I236-S239 PolarHBondContact O-OG 3.02Å; I237-S239 PolarHBondContact O-N 3.21Å; S239-K241 PolarHBondContact O-N 2.81Å
240I72.8Confident76.3Confident21 Ų2162.5 Ų62.511%0.10832%0.316CS..  trans-84.595.7-178.7-61.4116000110.4I236 I237 C238 Q242 F248I236-I240 VanDerWaalsContact O-CD1 3.24Å; I236-I240 WeakPolarHBondContact O-CD1 3.44Å; I237-I240 WeakPolarHBondContact O-CD1 3.39Å; I237-I240 PolarHBondContact O-N 3.49Å; C238-I240 VanDerWaalsContact C-N 3.27Å; C238-I240 PolarHBondContact O-N 3.1Å; I240-Q242 HydrophobicContact CG2-CB 4.11Å; I240-Q242 HydrophobicContact CG2-CG 4.44Å; I240-Q242 PolarHBondContact O-N 3.03Å; I240-F248 HydrophobicContact CB-CD1 4.38Å; I240-F248 HydrophobicContact CD1-CD1 3.57Å; I240-F248 HydrophobicContact CD1-CE1 3.49Å; I240-F248 VanDerWaalsContact CD1-CE1 3.49Å; I240-F248 HydrophobicContact CG1-CD1 3.69Å; I240-F248 HydrophobicContact CG1-CE1 3.48Å; I240-F248 VanDerWaalsContact CG1-CE1 3.48Å; I240-F248 HydrophobicContact CG1-CZ 4.32Å; I240-F248 HydrophobicContact CG2-CD1 4.07Å; I240-F248 HydrophobicContact CG2-CE1 4.44Å; I240-F248 HydrophobicContact CG2-CG 4.3Å
241K63.6Low77.5Confident208 Ų20860.3 Ų60.390%0.90432%0.315SS*.  trans-76.140177.9-61-171.2175.2-1720114S239S239-K241 PolarHBondContact O-N 2.81Å
242Q64.7Low78.1Confident121 Ų12159.5 Ų59.557%0.56531%0.311SS*.SBendtrans-117146.8178.3-67.6-165.4400111.8I240 N244 R245I240-Q242 HydrophobicContact CG2-CB 4.11Å; I240-Q242 HydrophobicContact CG2-CG 4.44Å; I240-Q242 PolarHBondContact O-N 3.03Å; Q242-N244 PolarHBondContact O-N 2.92Å; Q242-N244 VanDerWaalsContact O-N 3.13Å; Q242-R245 PolarHBondContact O-N 3.37Å
243P61.6Low78.6Confident104 Ų10455.9 Ų55.968%0.67529%0.289SS*.THydrogen-bonded Turntrans-56.8-27178.6-24.130.4000115.1R245 L1276P243-R245 VanDerWaalsContact C-N 3.32Å; P243-R245 PolarHBondContact O-N 3.37Å; P243-L1276 HydrophobicContact CB-CD2 3.7Å; P243-L1276 HydrophobicContact CG-CD2 3.92Å
244N72.6Confident79Confident50 Ų5059.1 Ų59.127%0.26730%0.302SS..THydrogen-bonded Turntrans-92.632.7179.2-77.94.5000113.8Q242 Y246 H247 F248 L1276Q242-N244 PolarHBondContact O-N 2.92Å; Q242-N244 VanDerWaalsContact O-N 3.13Å; N244-Y246 VanDerWaalsContact C-N 3.3Å; N244-Y246 PolarHBondContact O-N 3.04Å; N244-H247 HydrophobicContact CB-CB 4.29Å; N244-H247 PolarHBondContact O-N 3.12Å; N244-H247 VanDerWaalsContact O-N 3.1Å; N244-F248 PolarHBondContact O-N 3.23Å; N244-L1276 HydrophobicContact CB-CD2 3.68Å; N244-L1276 HydrophobicContact CB-CG 4.41Å; N244-L1276 VanDerWaalsContact CG-CD2 3.42Å; N244-L1276 PolarHBondContact ND2-O 2.98Å
245R76.6Confident79.3Confident49 Ų4958.8 Ų58.819%0.18530%0.3CS..Hα-helixtrans-46.6-47.1180-177.1179173.8-142.2-18113.5I237 C238 Q242 P243 F248 A249 D308I237-R245 HydrophobicContact CG2-CG 4.2Å; I237-R245 PolarHBondContact O-NE 3.35Å; C238-R245 PolarHBondContact SG-NH2 3.5Å; Q242-R245 PolarHBondContact O-N 3.37Å; P243-R245 VanDerWaalsContact C-N 3.32Å; P243-R245 PolarHBondContact O-N 3.37Å; R245-F248 PolarHBondContact O-N 3.23Å; R245-A249 WeakPolarHBondContact O-CB 3.39Å; R245-A249 PolarHBondContact O-N 3.08Å; R245-D308 IonicContact CZ-OD1 2.7Å; R245-D308 IonicContact CZ-OD2 2.96Å; R245-D308 VanDerWaalsContact CZ-OD2 3.23Å; R245-D308 IonicContact NE-OD1 3.65Å; R245-D308 PolarHBondContact NE-OD1 2.88Å; R245-D308 IonicContact NH1-OD1 3.38Å; R245-D308 PolarHBondContact NH1-OD1 3.13Å; R245-D308 IonicContact NH1-OD2 3.31Å; R245-D308 PolarHBondContact NH1-OD2 2.71Å; R245-D308 IonicContact NH2-OD1 2.72Å; R245-D308 PolarHBondContact NH2-OD1 3.33Å; R245-D308 IonicContact NH2-OD2 3.72Å; R245-D308 PolarHBondContact NH2-OD2 3.2Å
246Y81.2Confident80Confident81 Ų8157.4 Ų57.432%0.31829%0.286SS..Hα-helixtrans-63-47.2177.7-76.5-87.9000113.3N244 F248 A249 R250 E306 D308 L311N244-Y246 VanDerWaalsContact C-N 3.3Å; N244-Y246 PolarHBondContact O-N 3.04Å; Y246-F248 VanDerWaalsContact C-N 3.3Å; Y246-F248 PolarHBondContact O-N 2.92Å; Y246-A249 PolarHBondContact O-N 2.75Å; Y246-R250 WeakPolarHBondContact O-CB 3.4Å; Y246-R250 WeakPolarHBondContact O-CG 3.46Å; Y246-R250 PolarHBondContact O-N 3Å; Y246-E306 VanDerWaalsContact CE1-O 3.23Å; Y246-E306 WeakPolarHBondContact CE1-O 3.29Å; Y246-E306 PolarHBondContact OH-O 3.19Å; Y246-D308 PolarHBondContact OH-N 3.07Å; Y246-D308 VanDerWaalsContact OH-N 3.14Å; Y246-D308 PolarHBondContact OH-OD2 2.92Å; Y246-D308 VanDerWaalsContact OH-OD2 3.1Å; Y246-L311 HydrophobicContact CD1-CD2 4.13Å
247H82.5Confident80.6Confident124 Ų12457.3 Ų57.357%0.57429%0.285SS*.Hα-helixtrans-61.7-40.3177.4-66-82.4000111.6N244 R250 A251N244-H247 HydrophobicContact CB-CB 4.29Å; N244-H247 PolarHBondContact O-N 3.12Å; N244-H247 VanDerWaalsContact O-N 3.1Å; H247-R250 PolarHBondContact O-N 2.92Å; H247-A251 WeakPolarHBondContact O-CB 3.23Å; H247-A251 PolarHBondContact O-N 3.41Å
248F82.1Confident81.3Confident56 Ų5661.6 Ų61.625%0.24631%0.305CS..Hα-helixtrans-67.8-42.2178.2-176.6-88.1000112.2I124 I240 N244 R245 Y246 A251 I252I124-F248 HydrophobicContact CD1-CE2 3.89Å; I124-F248 HydrophobicContact CD1-CZ 3.6Å; I124-F248 HydrophobicContact CG1-CE2 4.07Å; I124-F248 HydrophobicContact CG1-CZ 3.63Å; I240-F248 HydrophobicContact CB-CD1 4.38Å; I240-F248 HydrophobicContact CD1-CD1 3.57Å; I240-F248 HydrophobicContact CD1-CE1 3.49Å; I240-F248 VanDerWaalsContact CD1-CE1 3.49Å; I240-F248 HydrophobicContact CG1-CD1 3.69Å; I240-F248 HydrophobicContact CG1-CE1 3.48Å; I240-F248 VanDerWaalsContact CG1-CE1 3.48Å; I240-F248 HydrophobicContact CG1-CZ 4.32Å; I240-F248 HydrophobicContact CG2-CD1 4.07Å; I240-F248 HydrophobicContact CG2-CE1 4.44Å; I240-F248 HydrophobicContact CG2-CG 4.3Å; N244-F248 PolarHBondContact O-N 3.23Å; R245-F248 PolarHBondContact O-N 3.23Å; Y246-F248 VanDerWaalsContact C-N 3.3Å; Y246-F248 PolarHBondContact O-N 2.92Å; F248-A251 WeakPolarHBondContact O-CB 3.46Å; F248-A251 PolarHBondContact O-N 2.86Å; F248-I252 HydrophobicContact CD1-CD1 3.95Å; F248-I252 HydrophobicContact CE1-CD1 3.3Å; F248-I252 HydrophobicContact CE1-CG1 4.2Å; F248-I252 HydrophobicContact CZ-CD1 3.86Å; F248-I252 PolarHBondContact O-N 3.34Å
249A85.5Confident82Confident1 Ų159 Ų591%0.00829%0.287CS..Hα-helixtrans-63.4-42174.400000112.3I237 R245 Y246 A251 I252 H253 L311I237-A249 HydrophobicContact CD1-CB 4.33Å; I237-A249 HydrophobicContact CG1-CB 4.06Å; I237-A249 HydrophobicContact CG2-CB 3.94Å; R245-A249 WeakPolarHBondContact O-CB 3.39Å; R245-A249 PolarHBondContact O-N 3.08Å; Y246-A249 PolarHBondContact O-N 2.75Å; A249-A251 VanDerWaalsContact C-N 3.34Å; A249-A251 PolarHBondContact O-N 2.85Å; A249-I252 PolarHBondContact O-N 3.34Å; A249-H253 PolarHBondContact O-N 3.43Å; A249-L311 HydrophobicContact CB-CD2 3.74Å; A249-L311 HydrophobicContact CB-CG 4.46Å
250R87.5Confident82.9Confident66 Ų6656.4 Ų56.425%0.24927%0.269CS..Hα-helixtrans-65.6-33.4173.4-69.8173.3180-174.1-0.5112.5Y246 H247 R254 A302 Q303 L305 L311Y246-R250 WeakPolarHBondContact O-CB 3.4Å; Y246-R250 WeakPolarHBondContact O-CG 3.46Å; Y246-R250 PolarHBondContact O-N 3Å; H247-R250 PolarHBondContact O-N 2.92Å; R250-R254 PolarHBondContact O-N 3.45Å; R250-A302 PolarHBondContact NE-O 3.47Å; R250-Q303 PolarHBondContact NH1-O 3.04Å; R250-Q303 PolarHBondContact NH2-O 2.88Å; R250-L305 PolarHBondContact NH2-O 2.76Å; R250-L311 HydrophobicContact CG-CD1 4.2Å; R250-L311 HydrophobicContact CG-CD2 4.09Å
251A86.6Confident83.9Confident56 Ų5655.7 Ų55.746%0.46327%0.265SS..Hα-helixtrans-67.2-44173.400000112.2H247 F248 A249 R254 H255H247-A251 WeakPolarHBondContact O-CB 3.23Å; H247-A251 PolarHBondContact O-N 3.41Å; F248-A251 WeakPolarHBondContact O-CB 3.46Å; F248-A251 PolarHBondContact O-N 2.86Å; A249-A251 VanDerWaalsContact C-N 3.34Å; A249-A251 PolarHBondContact O-N 2.85Å; A251-R254 PolarHBondContact O-N 2.83Å; A251-H255 WeakPolarHBondContact O-CB 3.35Å; A251-H255 PolarHBondContact O-N 3.4Å
252I87.9Confident85.1Confident9 Ų947.1 Ų47.15%0.04623%0.233CC..Hα-helixtrans-61.3-46.7172.6-75177.8000110.9P123 I124 F248 A249 R254 H255 L256P123-I252 HydrophobicContact CB-CD1 4.09Å; P123-I252 HydrophobicContact CB-CG2 4.16Å; P123-I252 HydrophobicContact CG-CD1 4.02Å; I124-I252 HydrophobicContact CG1-CD1 4.47Å; F248-I252 HydrophobicContact CD1-CD1 3.95Å; F248-I252 HydrophobicContact CE1-CD1 3.3Å; F248-I252 HydrophobicContact CE1-CG1 4.2Å; F248-I252 HydrophobicContact CZ-CD1 3.86Å; F248-I252 PolarHBondContact O-N 3.34Å; A249-I252 PolarHBondContact O-N 3.34Å; I252-R254 VanDerWaalsContact C-N 3.34Å; I252-R254 PolarHBondContact O-N 3.36Å; I252-H255 PolarHBondContact O-N 2.96Å; I252-L256 HydrophobicContact CG2-CD1 3.59Å; I252-L256 HydrophobicContact CG2-CG 4Å; I252-L256 VanDerWaalsContact O-CG 3.3Å; I252-L256 WeakPolarHBondContact O-CG 3.38Å; I252-L256 PolarHBondContact O-N 2.98Å
253H92.1Very high86.4Confident1 Ų141.4 Ų41.41%0.00521%0.207CC..Hα-helixtrans-52.7-51176.4176.4-102.2000111.9A249 H255 C257 L298 A302 I315 D318A249-H253 PolarHBondContact O-N 3.43Å; H253-H255 PolarHBondContact O-N 3.31Å; H253-C257 WeakPolarHBondContact O-CB 3.43Å; H253-C257 PolarHBondContact O-N 3.5Å; H253-C257 PolarHBondContact O-SG 3.13Å; H253-L298 PolarHBondContact CE1-O 3.24Å; H253-A302 VanDerWaalsContact CE1-CB 3.47Å; H253-A302 WeakPolarHBondContact CE1-CB 3.46Å; H253-A302 WeakPolarHBondContact ND1-CB 3.14Å; H253-I315 HydrophobicContact CB-CD1 4.15Å; H253-I315 HydrophobicContact CB-CG1 3.77Å; H253-D318 IonicContact CD2-OD2 3.76Å; H253-D318 IonicContact CE1-OD2 2.96Å; H253-D318 IonicContact NE2-OD2 2.89Å; H253-D318 PolarHBondContact NE2-OD2 3.32Å
254R92.4Very high87.8Confident83 Ų8339 Ų3931%0.31318%0.184SC..Hα-helixtrans-58.5-48.6177.1-176176.5-174.4-147.52.2111.8R250 A251 I252 C257 Q258 V299R250-R254 PolarHBondContact O-N 3.45Å; A251-R254 PolarHBondContact O-N 2.83Å; I252-R254 VanDerWaalsContact C-N 3.34Å; I252-R254 PolarHBondContact O-N 3.36Å; R254-C257 PolarHBondContact O-N 3.37Å; R254-Q258 WeakPolarHBondContact O-CB 3.45Å; R254-Q258 PolarHBondContact O-N 3.36Å; R254-V299 HydrophobicContact CB-CG2 3.96Å; R254-V299 HydrophobicContact CG-CG2 3.86Å
255H90.4Very high88.7Confident54 Ų5440.4 Ų40.425%0.2519%0.189CC..Hα-helixtrans-62.2-48.1-178.3-175.673.1000112.4P123 I124 A251 I252 H253 Q258 I259P123-H255 PolarHBondContact O-CD2 2.88Å; I124-H255 PolarHBondContact O-NE2 2.95Å; A251-H255 WeakPolarHBondContact O-CB 3.35Å; A251-H255 PolarHBondContact O-N 3.4Å; I252-H255 PolarHBondContact O-N 2.96Å; H253-H255 PolarHBondContact O-N 3.31Å; H255-Q258 PolarHBondContact O-N 3.02Å; H255-I259 VanDerWaalsContact CE1-CD1 3.49Å; H255-I259 WeakPolarHBondContact CE1-CD1 3.19Å; H255-I259 VanDerWaalsContact NE2-CD1 3.33Å; H255-I259 WeakPolarHBondContact NE2-CD1 3.18Å; H255-I259 WeakPolarHBondContact O-CG1 3.44Å; H255-I259 PolarHBondContact O-N 3.31Å
256L92.3Very high89.2Confident0 Ų038.9 Ų38.90%019%0.186CC..Hα-helixtrans-64.3-42.7178.9-62.7178.7000112I4 L126 I202 W233 I252 L260 V319I4-L256 HydrophobicContact CD1-CD2 3.77Å; L126-L256 HydrophobicContact CD1-CD2 3.51Å; I202-L256 HydrophobicContact CD1-CD2 4.11Å; W233-L256 HydrophobicContact CH2-CD1 3.49Å; W233-L256 VanDerWaalsContact CH2-CD1 3.49Å; W233-L256 HydrophobicContact CZ2-CD1 4.49Å; W233-L256 HydrophobicContact CZ3-CD1 3.65Å; I252-L256 HydrophobicContact CG2-CD1 3.59Å; I252-L256 HydrophobicContact CG2-CG 4Å; I252-L256 VanDerWaalsContact O-CG 3.3Å; I252-L256 WeakPolarHBondContact O-CG 3.38Å; I252-L256 PolarHBondContact O-N 2.98Å; L256-L260 WeakPolarHBondContact O-CB 3.27Å; L256-L260 WeakPolarHBondContact O-CG 3.32Å; L256-L260 PolarHBondContact O-N 2.87Å; L256-L260 VanDerWaalsContact O-N 3.15Å; L256-V319 HydrophobicContact CB-CG2 4.08Å; L256-V319 HydrophobicContact CD1-CG2 4.12Å
257C93.5Very high89.7Confident0 Ų035.1 Ų35.10%017%0.171CC..Hα-helixtrans-65.5-42.5175.9-66.80000111.8H253 R254 L260 L261 L295 L298 L322H253-C257 WeakPolarHBondContact O-CB 3.43Å; H253-C257 PolarHBondContact O-N 3.5Å; H253-C257 PolarHBondContact O-SG 3.13Å; R254-C257 PolarHBondContact O-N 3.37Å; C257-L260 PolarHBondContact O-N 3.47Å; C257-L261 WeakPolarHBondContact O-CB 3.4Å; C257-L261 VanDerWaalsContact O-CG 3.23Å; C257-L261 WeakPolarHBondContact O-CG 3.34Å; C257-L261 PolarHBondContact O-N 3.26Å; C257-L295 HydrophobicContact CB-CD1 3.81Å; C257-L298 HydrophobicContact CB-CD1 4.37Å; C257-L322 HydrophobicContact CB-CD1 3.97Å
258Q92.5Very high90.1Very high94 Ų9430.3 Ų30.344%0.43915%0.15SC..Hα-helixtrans-61.4-46.4179.2-177.6176.5-5.500111.9R254 H255 L261 A262 L295R254-Q258 WeakPolarHBondContact O-CB 3.45Å; R254-Q258 PolarHBondContact O-N 3.36Å; H255-Q258 PolarHBondContact O-N 3.02Å; Q258-L261 PolarHBondContact O-N 3.3Å; Q258-A262 WeakPolarHBondContact O-CB 3.47Å; Q258-A262 PolarHBondContact O-N 2.84Å; Q258-L295 HydrophobicContact CB-CD1 4.2Å; Q258-L295 HydrophobicContact CB-CD2 3.9Å; Q258-L295 HydrophobicContact CG-CD2 4Å
259I90.3Very high90.4Very high7 Ų729.2 Ų29.24%0.03615%0.146CC..Hα-helixtrans-67.2-42.2179.4-65169.8000111.2L126 E127 P171 L199 H255 L261 A262 A263L126-I259 HydrophobicContact CB-CD1 4.07Å; L126-I259 HydrophobicContact CD2-CD1 4.15Å; L126-I259 HydrophobicContact CD2-CG2 4.42Å; L126-I259 HydrophobicContact CG-CD1 4.48Å; E127-I259 HydrophobicContact CG-CD1 3.71Å; E127-I259 HydrophobicContact CG-CG1 4.32Å; P171-I259 HydrophobicContact CB-CG2 4.2Å; L199-I259 HydrophobicContact CD2-CG2 3.58Å; H255-I259 VanDerWaalsContact CE1-CD1 3.49Å; H255-I259 WeakPolarHBondContact CE1-CD1 3.19Å; H255-I259 VanDerWaalsContact NE2-CD1 3.33Å; H255-I259 WeakPolarHBondContact NE2-CD1 3.18Å; H255-I259 WeakPolarHBondContact O-CG1 3.44Å; H255-I259 PolarHBondContact O-N 3.31Å; I259-L261 VanDerWaalsContact C-N 3.34Å; I259-L261 PolarHBondContact O-N 2.77Å; I259-A262 PolarHBondContact O-N 3.36Å; I259-A263 WeakPolarHBondContact O-CB 3.43Å; I259-A263 PolarHBondContact O-N 3.38Å
260L93.3Very high90.6Very high0 Ų029.7 Ų29.70%015%0.148CC..Hα-helixtrans-64.8-36.7176.4-73.7173.3000112.2L199 I202 L256 C257 R264 V319 L322 N326L199-L260 HydrophobicContact CD2-CD2 4.08Å; L199-L260 HydrophobicContact CG-CD2 4.31Å; I202-L260 HydrophobicContact CD1-CD1 4.02Å; I202-L260 HydrophobicContact CD1-CD2 4.01Å; I202-L260 HydrophobicContact CD1-CG 3.87Å; I202-L260 HydrophobicContact CG1-CD2 4.22Å; L256-L260 WeakPolarHBondContact O-CB 3.27Å; L256-L260 WeakPolarHBondContact O-CG 3.32Å; L256-L260 PolarHBondContact O-N 2.87Å; L256-L260 VanDerWaalsContact O-N 3.15Å; C257-L260 PolarHBondContact O-N 3.47Å; L260-R264 WeakPolarHBondContact O-CB 3.35Å; L260-R264 PolarHBondContact O-N 2.94Å; L260-V319 HydrophobicContact CD1-CG1 4.15Å; L260-L322 HydrophobicContact CB-CB 3.99Å; L260-L322 HydrophobicContact CB-CD1 4.22Å; L260-L322 HydrophobicContact CD1-CB 3.84Å; L260-N326 PolarHBondContact O-ND2 3.2Å
261L92.8Very high90.8Very high6 Ų627.4 Ų27.43%0.03114%0.14CC..Hα-helixtrans-69.5-41.5174.3-72.1168.4000112C257 Q258 I259 R264 E265 F291 K294 L295 L322C257-L261 WeakPolarHBondContact O-CB 3.4Å; C257-L261 VanDerWaalsContact O-CG 3.23Å; C257-L261 WeakPolarHBondContact O-CG 3.34Å; C257-L261 PolarHBondContact O-N 3.26Å; Q258-L261 PolarHBondContact O-N 3.3Å; I259-L261 VanDerWaalsContact C-N 3.34Å; I259-L261 PolarHBondContact O-N 2.77Å; L261-R264 VanDerWaalsContact O-CB 3.31Å; L261-R264 WeakPolarHBondContact O-CB 3.19Å; L261-R264 PolarHBondContact O-N 3.01Å; L261-E265 PolarHBondContact O-N 3.43Å; L261-F291 HydrophobicContact CB-CD1 4.21Å; L261-F291 HydrophobicContact CD2-CD1 4.08Å; L261-K294 HydrophobicContact CD2-CG 4.26Å; L261-L295 HydrophobicContact CD1-CB 3.85Å; L261-L295 HydrophobicContact CD1-CD1 4.22Å; L261-L322 HydrophobicContact CD2-CD2 3.73Å; L261-L322 HydrophobicContact CG-CD1 4.3Å; L261-L322 HydrophobicContact CG-CD2 4.24Å
262A89.9Confident90.9Very high28 Ų2828.6 Ų28.623%0.23113%0.132CC..Hα-helixtrans-64.1-45.1176.500000112.3S172 Q258 I259 R264 E265 S266S172-A262 CarbonylContact O-C 3.56Å; S172-A262 VanDerWaalsContact O-O 3.1Å; Q258-A262 WeakPolarHBondContact O-CB 3.47Å; Q258-A262 PolarHBondContact O-N 2.84Å; I259-A262 PolarHBondContact O-N 3.36Å; A262-R264 PolarHBondContact O-N 2.87Å; A262-E265 WeakPolarHBondContact O-CB 3.24Å; A262-E265 PolarHBondContact O-N 2.62Å; A262-E265 VanDerWaalsContact O-N 3.12Å; A262-S266 PolarHBondContact O-N 3.49Å
263A90.6Very high90.9Very high1 Ų129.6 Ų29.61%0.00814%0.137CC..Hα-helixtrans-57.5-35.6174.300000112P171 S172 L199 I259 M267P171-A263 WeakPolarHBondContact O-CB 3.47Å; S172-A263 PolarHBondContact O-N 3.02Å; L199-A263 HydrophobicContact CB-CB 4.27Å; I259-A263 WeakPolarHBondContact O-CB 3.43Å; I259-A263 PolarHBondContact O-N 3.38Å; A263-M267 WeakPolarHBondContact O-CE 3.44Å; A263-M267 WeakPolarHBondContact O-CG 3.43Å; A263-M267 PolarHBondContact O-N 2.92Å
264R92.3Very high90.8Very high53 Ų5329.6 Ų29.620%0.214%0.137CC..Hα-helixtrans-70.9-43.8175-166.7-177.4174.6155.9-2112.7L260 L261 A262 M267 L268 F291 N326 L329L260-R264 WeakPolarHBondContact O-CB 3.35Å; L260-R264 PolarHBondContact O-N 2.94Å; L261-R264 VanDerWaalsContact O-CB 3.31Å; L261-R264 WeakPolarHBondContact O-CB 3.19Å; L261-R264 PolarHBondContact O-N 3.01Å; A262-R264 PolarHBondContact O-N 2.87Å; R264-M267 PolarHBondContact O-N 3.38Å; R264-L268 HydrophobicContact CG-CD1 4.19Å; R264-L268 WeakPolarHBondContact O-CG 3.44Å; R264-L268 PolarHBondContact O-N 2.94Å; R264-F291 HydrophobicContact CB-CE1 4.35Å; R264-F291 HydrophobicContact CG-CE1 4.37Å; R264-N326 WeakPolarHBondContact CB-OD1 3.44Å; R264-N326 WeakPolarHBondContact CG-OD1 3.37Å; R264-L329 HydrophobicContact CG-CD2 3.57Å
265E90.2Very high90.7Very high79 Ų7928.9 Ų28.937%0.36914%0.139SC..Hα-helixtrans-58.1-50.8175.7179.6164.7-151.900110.3L261 A262 M267 L268 L269 F291L261-E265 PolarHBondContact O-N 3.43Å; A262-E265 WeakPolarHBondContact O-CB 3.24Å; A262-E265 PolarHBondContact O-N 2.62Å; A262-E265 VanDerWaalsContact O-N 3.12Å; E265-M267 PolarHBondContact O-N 2.88Å; E265-L268 CarbonylContact O-C 3.3Å; E265-L268 PolarHBondContact O-N 2.83Å; E265-L269 HydrophobicContact CG-CD1 3.77Å; E265-L269 HydrophobicContact CG-CG 4.08Å; E265-L269 WeakPolarHBondContact O-CG 3.39Å; E265-L269 PolarHBondContact O-N 3.35Å; E265-F291 HydrophobicContact CB-CD1 4.28Å; E265-F291 HydrophobicContact CB-CD2 3.78Å; E265-F291 HydrophobicContact CB-CE1 4.06Å; E265-F291 HydrophobicContact CB-CE2 3.53Å; E265-F291 HydrophobicContact CB-CG 4.17Å; E265-F291 HydrophobicContact CB-CZ 3.69Å; E265-F291 VanDerWaalsContact CD-CD2 3.44Å; E265-F291 HydrophobicContact CG-CD2 3.78Å; E265-F291 HydrophobicContact CG-CE2 3.53Å; E265-F291 HydrophobicContact CG-CZ 4.16Å
266S88.3Confident90.8Very high18 Ų1831.1 Ų31.113%0.12616%0.158CC..Hα-helixtrans-59-43.4179.3-166.40000112.7R173 A262 L268 L269 F270R173-S266 VanDerWaalsContact O-CB 3.24Å; R173-S266 WeakPolarHBondContact O-CB 3.42Å; R173-S266 PolarHBondContact O-OG 3.16Å; A262-S266 PolarHBondContact O-N 3.49Å; S266-L268 VanDerWaalsContact C-N 3.32Å; S266-L268 PolarHBondContact O-N 3.06Å; S266-L269 PolarHBondContact O-N 3Å; S266-F270 WeakPolarHBondContact O-CB 3.49Å; S266-F270 PolarHBondContact O-N 3.24Å
267M91.2Very high90.7Very high1 Ų134.8 Ų34.81%0.00517%0.172CC..Hα-helixtrans-59.8-38.3173.6-79.3-171.3-80.500112.9A198 A263 R264 E265 W271 N326 L329 F330 L333A198-M267 HydrophobicContact CB-CE 4.09Å; A198-M267 HydrophobicContact CB-CG 4.11Å; A198-M267 HydrophobicContact CB-SD 3.66Å; A263-M267 WeakPolarHBondContact O-CE 3.44Å; A263-M267 WeakPolarHBondContact O-CG 3.43Å; A263-M267 PolarHBondContact O-N 2.92Å; R264-M267 PolarHBondContact O-N 3.38Å; E265-M267 PolarHBondContact O-N 2.88Å; M267-W271 WeakPolarHBondContact O-CB 3.34Å; M267-W271 PolarHBondContact O-N 3.07Å; M267-N326 HydrophobicContact CE-CB 4.15Å; M267-L329 HydrophobicContact CB-CD2 3.82Å; M267-L329 HydrophobicContact CB-CG 4.31Å; M267-L329 HydrophobicContact CE-CD2 4.18Å; M267-L329 HydrophobicContact SD-CD2 4.41Å; M267-L329 HydrophobicContact SD-CG 4.41Å; M267-F330 HydrophobicContact SD-CB 3.77Å; M267-F330 HydrophobicContact SD-CD2 3.84Å; M267-F330 HydrophobicContact SD-CG 4.3Å; M267-L333 HydrophobicContact CB-CD2 4.08Å; M267-L333 HydrophobicContact CG-CD2 4.03Å
268L90.6Very high90.5Very high24 Ų2435.5 Ų35.513%0.12618%0.176CC..Hα-helixtrans-75.4-36.2177.7-72.1166.4000112.6R264 E265 S266 W271 R272 I286 F291 L329R264-L268 HydrophobicContact CG-CD1 4.19Å; R264-L268 WeakPolarHBondContact O-CG 3.44Å; R264-L268 PolarHBondContact O-N 2.94Å; E265-L268 CarbonylContact O-C 3.3Å; E265-L268 PolarHBondContact O-N 2.83Å; S266-L268 VanDerWaalsContact C-N 3.32Å; S266-L268 PolarHBondContact O-N 3.06Å; L268-W271 HydrophobicContact CD2-CE3 4.26Å; L268-W271 PolarHBondContact O-N 3.14Å; L268-R272 WeakPolarHBondContact O-CB 3.41Å; L268-R272 PolarHBondContact O-N 2.94Å; L268-I286 HydrophobicContact CD2-CG1 4.46Å; L268-I286 HydrophobicContact CD2-CG2 4.31Å; L268-F291 HydrophobicContact CD1-CZ 3.98Å; L268-L329 HydrophobicContact CD1-CD2 4.38Å; L268-L329 HydrophobicContact CD2-CD1 3.74Å; L268-L329 HydrophobicContact CD2-CD2 4.23Å; L268-L329 HydrophobicContact CG-CD1 4.31Å; L268-L329 HydrophobicContact CG-CD2 3.89Å
269L88.9Confident90.2Very high32 Ų3233.5 Ų33.517%0.16817%0.171CC..Hα-helixtrans-63.4-46.2173.1-69.8173.3000110.8E265 S266 R272 E273 K901 T904E265-L269 HydrophobicContact CG-CD1 3.77Å; E265-L269 HydrophobicContact CG-CG 4.08Å; E265-L269 WeakPolarHBondContact O-CG 3.39Å; E265-L269 PolarHBondContact O-N 3.35Å; S266-L269 PolarHBondContact O-N 3Å; L269-R272 WeakPolarHBondContact O-CB 3.47Å; L269-R272 PolarHBondContact O-N 3.18Å; L269-E273 PolarHBondContact O-N 2.78Å; L269-K901 VanDerWaalsContact CD2-O 3.32Å; L269-K901 WeakPolarHBondContact CD2-O 3.3Å; L269-T904 HydrophobicContact CD1-CG2 3.79Å
270F90Very high89.7Confident12 Ų1238.3 Ų38.35%0.05321%0.205CC..Hα-helixtrans-65.2-38.1174.8172.1-106.3000112.6H176 Y196 S266 R272 E273 S274 L333 V337 L347H176-F270 HydrophobicContact CB-CD1 3.9Å; H176-F270 HydrophobicContact CB-CD2 3.74Å; H176-F270 HydrophobicContact CB-CE1 3.74Å; H176-F270 HydrophobicContact CB-CE2 3.57Å; H176-F270 HydrophobicContact CB-CG 3.9Å; H176-F270 HydrophobicContact CB-CZ 3.59Å; H176-F270 AromaticContact CD2-CD1 3.3Å; H176-F270 WeakPolarHBondContact CD2-CD1 3.47Å; H176-F270 AromaticContact CD2-CE1 3.97Å; H176-F270 AromaticContact CD2-CG 3.32Å; H176-F270 WeakPolarHBondContact CD2-CG 3.46Å; H176-F270 AromaticContact CG-CD1 3.5Å; H176-F270 AromaticContact CG-CE1 3.67Å; H176-F270 AromaticContact CG-CG 3.75Å; H176-F270 AromaticContact NE2-CD1 3.83Å; Y196-F270 HydrophobicContact CD1-CE1 4.25Å; Y196-F270 HydrophobicContact CD1-CZ 4.36Å; Y196-F270 HydrophobicContact CE1-CE1 4.36Å; Y196-F270 HydrophobicContact CE1-CZ 4.13Å; S266-F270 WeakPolarHBondContact O-CB 3.49Å; S266-F270 PolarHBondContact O-N 3.24Å; F270-R272 VanDerWaalsContact C-N 3.31Å; F270-R272 PolarHBondContact O-N 2.9Å; F270-E273 PolarHBondContact O-N 3Å; F270-S274 WeakPolarHBondContact O-CB 3.32Å; F270-S274 PolarHBondContact O-N 2.94Å; F270-S274 PolarHBondContact O-OG 2.76Å; F270-L333 HydrophobicContact CD1-CD1 3.87Å; F270-L333 HydrophobicContact CD1-CD2 4.05Å; F270-L333 HydrophobicContact CD1-CG 4.45Å; F270-L333 HydrophobicContact CE1-CD1 4.03Å; F270-V337 HydrophobicContact CE1-CG1 4.04Å; F270-V337 HydrophobicContact CE1-CG2 4.41Å; F270-V337 HydrophobicContact CZ-CG1 4.47Å; F270-L347 HydrophobicContact CE2-CD1 4.2Å; F270-L347 HydrophobicContact CE2-CD2 4.09Å; F270-L347 HydrophobicContact CZ-CD1 4.11Å
271W90.8Very high88.9Confident17 Ų1744.7 Ų44.76%0.06424%0.24CC..Hα-helixtrans-62.5-40.9173.9-154.2-4.9000111.4M267 L268 S274 L275 P284 I286 L329 Q332 L333 S336M267-W271 WeakPolarHBondContact O-CB 3.34Å; M267-W271 PolarHBondContact O-N 3.07Å; L268-W271 HydrophobicContact CD2-CE3 4.26Å; L268-W271 PolarHBondContact O-N 3.14Å; W271-S274 WeakPolarHBondContact O-CB 3.13Å; W271-S274 PolarHBondContact O-N 3.4Å; W271-L275 WeakPolarHBondContact O-CG 3.36Å; W271-L275 PolarHBondContact O-N 3.37Å; W271-P284 HydrophobicContact CD2-CB 4.12Å; W271-P284 HydrophobicContact CD2-CG 4.06Å; W271-P284 HydrophobicContact CE3-CB 4.26Å; W271-P284 HydrophobicContact CG-CG 4.41Å; W271-P284 HydrophobicContact CH2-CB 3.67Å; W271-P284 HydrophobicContact CZ2-CB 3.51Å; W271-P284 HydrophobicContact CZ2-CG 3.99Å; W271-P284 HydrophobicContact CZ3-CB 4.05Å; W271-I286 HydrophobicContact CB-CD1 4.13Å; W271-I286 HydrophobicContact CG-CD1 4.32Å; W271-L329 HydrophobicContact CE3-CD1 3.8Å; W271-L329 HydrophobicContact CZ3-CD1 3.65Å; W271-Q332 HydrophobicContact CH2-CB 3.75Å; W271-Q332 HydrophobicContact CZ3-CB 4.26Å; W271-L333 HydrophobicContact CB-CD1 3.77Å; W271-L333 HydrophobicContact CD2-CD1 4.14Å; W271-L333 HydrophobicContact CG-CD1 3.68Å; W271-S336 VanDerWaalsContact CZ2-OG 3.29Å; W271-S336 WeakPolarHBondContact CZ2-OG 3.36Å
272R88.9Confident88Confident82 Ų8246 Ų4631%0.30925%0.248SC..Hα-helixtrans-63.9-44174.7179.4-176174.31220.2112.1L268 L269 F270 S274 L275 I286 S898L268-R272 WeakPolarHBondContact O-CB 3.41Å; L268-R272 PolarHBondContact O-N 2.94Å; L269-R272 WeakPolarHBondContact O-CB 3.47Å; L269-R272 PolarHBondContact O-N 3.18Å; F270-R272 VanDerWaalsContact C-N 3.31Å; F270-R272 PolarHBondContact O-N 2.9Å; R272-S274 PolarHBondContact O-N 3.34Å; R272-L275 WeakPolarHBondContact O-CG 3.37Å; R272-L275 PolarHBondContact O-N 3.19Å; R272-I286 HydrophobicContact CB-CD1 4.12Å; R272-S898 PolarHBondContact NH2-O 3.07Å
273E87.6Confident86.9Confident30 Ų3053 Ų5314%0.1427%0.273CS..Hα-helixtrans-59.8-37.6174.7-157.7-167118.700111.4L269 F270 L275 P276 F346 R350 T902L269-E273 PolarHBondContact O-N 2.78Å; F270-E273 PolarHBondContact O-N 3Å; E273-L275 VanDerWaalsContact C-N 3.34Å; E273-L275 PolarHBondContact O-N 3.06Å; E273-P276 WeakPolarHBondContact O-CD 3.38Å; E273-F346 WeakPolarHBondContact OE1-CE1 3.37Å; E273-F346 VanDerWaalsContact OE1-CZ 3.29Å; E273-F346 WeakPolarHBondContact OE1-CZ 3.47Å; E273-R350 IonicContact OE1-CZ 3.46Å; E273-R350 IonicContact OE1-NH1 3.36Å; E273-R350 PolarHBondContact OE1-NH1 2.9Å; E273-R350 IonicContact OE1-NH2 2.82Å; E273-R350 IonicContact OE2-CZ 3.36Å; E273-R350 IonicContact OE2-NH1 3.44Å; E273-R350 PolarHBondContact OE2-NH1 3.32Å; E273-R350 IonicContact OE2-NH2 3.8Å; E273-R350 PolarHBondContact OE2-NH2 3.19Å; E273-R350 VanDerWaalsContact OE2-NH2 3.16Å; E273-T902 HydrophobicContact CB-CG2 3.63Å; E273-T902 HydrophobicContact CG-CG2 3.85Å
274S90.2Very high85.9Confident0 Ų054.4 Ų54.40%028%0.282CS..Hα-helixtrans-70.1-24.9-179.1-61.20000114.1F270 W271 R272 P276 Y277 L278F270-S274 WeakPolarHBondContact O-CB 3.32Å; F270-S274 PolarHBondContact O-N 2.94Å; F270-S274 PolarHBondContact O-OG 2.76Å; W271-S274 WeakPolarHBondContact O-CB 3.13Å; W271-S274 PolarHBondContact O-N 3.4Å; R272-S274 PolarHBondContact O-N 3.34Å; S274-P276 VanDerWaalsContact C-CD 3.41Å; S274-Y277 PolarHBondContact O-N 3.39Å; S274-L278 WeakPolarHBondContact O-CG 3.28Å; S274-L278 PolarHBondContact O-N 3.04Å
275L90.8Very high84.8Confident69 Ų6963.2 Ų63.236%0.36132%0.316SS..G310 helixtrans-51.2-41.2-170.3-64.5177.8000115.8W271 R272 E273 Y277 L278 P284 I286W271-L275 WeakPolarHBondContact O-CG 3.36Å; W271-L275 PolarHBondContact O-N 3.37Å; R272-L275 WeakPolarHBondContact O-CG 3.37Å; R272-L275 PolarHBondContact O-N 3.19Å; E273-L275 VanDerWaalsContact C-N 3.34Å; E273-L275 PolarHBondContact O-N 3.06Å; L275-Y277 PolarHBondContact O-N 2.98Å; L275-L278 HydrophobicContact CD2-CD1 4.42Å; L275-L278 PolarHBondContact O-N 3.37Å; L275-P284 HydrophobicContact CD2-CG 3.77Å; L275-I286 HydrophobicContact CD1-CD1 4.43Å
276P91.1Very high83.8Confident100 Ų10061.9 Ų61.965%0.64931%0.31SS*.G310 helixtrans-66.3-19.2178.3-20.134.7000114E273 S274E273-P276 WeakPolarHBondContact O-CD 3.38Å; S274-P276 VanDerWaalsContact C-CD 3.41Å
277Y90.8Very high82.9Confident77 Ų7767.7 Ų67.730%0.30234%0.336SS..G310 helixtrans-101.9-12.8-177.7-51.1-77.3000112.7S274 L275 K342 L343 F346S274-Y277 PolarHBondContact O-N 3.39Å; L275-Y277 PolarHBondContact O-N 2.98Å; Y277-K342 WeakPolarHBondContact O-CB 3.45Å; Y277-L343 HydrophobicContact CD2-CD1 4.22Å; Y277-L343 HydrophobicContact CG-CD1 4.41Å; Y277-F346 HydrophobicContact CD1-CB 3.92Å; Y277-F346 HydrophobicContact CD1-CG 4.28Å; Y277-F346 HydrophobicContact CD2-CD1 4.04Å; Y277-F346 HydrophobicContact CD2-CE1 4.46Å; Y277-F346 HydrophobicContact CD2-CG 4.18Å; Y277-F346 HydrophobicContact CE1-CB 3.85Å; Y277-F346 AromaticContact CE1-CD2 3.92Å; Y277-F346 HydrophobicContact CE1-CD2 3.92Å; Y277-F346 AromaticContact CE1-CG 3.9Å; Y277-F346 HydrophobicContact CE1-CG 3.9Å; Y277-F346 HydrophobicContact CE2-CB 4.44Å; Y277-F346 AromaticContact CE2-CD1 3.81Å; Y277-F346 HydrophobicContact CE2-CD1 3.81Å; Y277-F346 AromaticContact CE2-CD2 3.93Å; Y277-F346 HydrophobicContact CE2-CD2 3.93Å; Y277-F346 AromaticContact CE2-CE1 3.97Å; Y277-F346 HydrophobicContact CE2-CE1 3.97Å; Y277-F346 HydrophobicContact CE2-CE2 4.09Å; Y277-F346 AromaticContact CE2-CG 3.78Å; Y277-F346 HydrophobicContact CE2-CG 3.78Å; Y277-F346 HydrophobicContact CE2-CZ 4.1Å; Y277-F346 HydrophobicContact CG-CB 4.27Å; Y277-F346 HydrophobicContact CG-CG 4.43Å; Y277-F346 AromaticContact CZ-CD2 3.46Å; Y277-F346 VanDerWaalsContact CZ-CD2 3.46Å; Y277-F346 AromaticContact CZ-CE2 3.84Å; Y277-F346 AromaticContact CZ-CG 3.64Å; Y277-F346 WeakPolarHBondContact OH-CD2 3.29Å; Y277-F346 WeakPolarHBondContact OH-CE2 3.29Å
278L89.4Confident81.8Confident15 Ų1573.9 Ų73.98%0.07938%0.376CS..SBendtrans-82.7152.8174.5-65178.4000111.5S274 L275 V282 S336 Q340 L343S274-L278 WeakPolarHBondContact O-CG 3.28Å; S274-L278 PolarHBondContact O-N 3.04Å; L275-L278 HydrophobicContact CD2-CD1 4.42Å; L275-L278 PolarHBondContact O-N 3.37Å; L278-V282 HydrophobicContact CB-CB 4.37Å; L278-V282 HydrophobicContact CD1-CG1 3.99Å; L278-S336 WeakPolarHBondContact CD2-O 3.33Å; L278-Q340 HydrophobicContact CD2-CB 4.23Å; L278-Q340 HydrophobicContact CD2-CG 3.68Å; L278-L343 HydrophobicContact CD2-CD2 4.17Å
279P85.9Confident80.9Confident52 Ų5275.2 Ų75.234%0.33839%0.385SS..  trans-70.1147.3174.827.5-31.7000111.5N281 V282P279-N281 WeakPolarHBondContact CB-OD1 3.42Å; P279-N281 PolarHBondContact O-N 3.36Å; P279-N281 PolarHBondContact O-OD1 3.37Å; P279-V282 HydrophobicContact CG-CG2 4.07Å; P279-V282 PolarHBondContact O-N 2.65Å
280S79.3Confident80.6Confident108 Ų10877.8 Ų77.876%0.75540%0.399SS*.THydrogen-bonded Turntrans-62-9.7-165.4-46.60000116.7K283S280-K283 WeakPolarHBondContact O-CE 3.44Å
281N76.7Confident80.4Confident134 Ų13478.5 Ų78.572%0.71740%0.402SS*.THydrogen-bonded Turntrans-81.6-20.8172.660.5-29.5000112.9P279 K283P279-N281 WeakPolarHBondContact CB-OD1 3.42Å; P279-N281 PolarHBondContact O-N 3.36Å; P279-N281 PolarHBondContact O-OD1 3.37Å; N281-K283 PolarHBondContact O-N 2.88Å; N281-K283 VanDerWaalsContact O-N 3.1Å
282V73.6Confident80.2Confident35 Ų3582.5 Ų82.521%0.21242%0.421CS..  trans-85.878.8178.2-173.10000109.5L278 P279 P284L278-V282 HydrophobicContact CB-CB 4.37Å; L278-V282 HydrophobicContact CD1-CG1 3.99Å; P279-V282 HydrophobicContact CG-CG2 4.07Å; P279-V282 PolarHBondContact O-N 2.65Å; V282-P284 VanDerWaalsContact O-CD 3.24Å; V282-P284 WeakPolarHBondContact O-CD 3.29Å
283K68.2Low80.2Confident173 Ų17381.8 Ų81.875%0.75243%0.429SS*.  trans-109.485176.4-69.5-174.5-179.8179.50111.2S280 N281S280-K283 WeakPolarHBondContact O-CE 3.44Å; N281-K283 PolarHBondContact O-N 2.88Å; N281-K283 VanDerWaalsContact O-N 3.1Å
284P69.7Low80.3Confident32 Ų3283.7 Ų83.721%0.20844%0.437CS..  trans-64.4142.5173.328.8-36.1000111.3W271 L275 V282 I286W271-P284 HydrophobicContact CD2-CB 4.12Å; W271-P284 HydrophobicContact CD2-CG 4.06Å; W271-P284 HydrophobicContact CE3-CB 4.26Å; W271-P284 HydrophobicContact CG-CG 4.41Å; W271-P284 HydrophobicContact CH2-CB 3.67Å; W271-P284 HydrophobicContact CZ2-CB 3.51Å; W271-P284 HydrophobicContact CZ2-CG 3.99Å; W271-P284 HydrophobicContact CZ3-CB 4.05Å; L275-P284 HydrophobicContact CD2-CG 3.77Å; V282-P284 VanDerWaalsContact O-CD 3.24Å; V282-P284 WeakPolarHBondContact O-CD 3.29Å; P284-I286 HydrophobicContact CB-CG1 4.01Å; P284-I286 HydrophobicContact CG-CD1 3.94Å; P284-I286 HydrophobicContact CG-CG1 3.89Å; P284-I286 PolarHBondContact O-N 2.83Å
285R68.4Low80.3Confident238 Ų23884 Ų8490%0.89844%0.439SS*.  trans-77.779.5165.5-67.3-174.1-177.3179.82108.8E287R285-E287 VanDerWaalsContact C-N 3.35Å; R285-E287 PolarHBondContact O-N 3.06Å; R285-E287 VanDerWaalsContact O-N 3.1Å
286I70.5Confident80.4Confident50 Ų5083.3 Ų83.326%0.25644%0.435SS..  trans-7791.1170.4-58.8176.9000107.3L268 W271 R272 L275 P284L268-I286 HydrophobicContact CD2-CG1 4.46Å; L268-I286 HydrophobicContact CD2-CG2 4.31Å; W271-I286 HydrophobicContact CB-CD1 4.13Å; W271-I286 HydrophobicContact CG-CD1 4.32Å; R272-I286 HydrophobicContact CB-CD1 4.12Å; L275-I286 HydrophobicContact CD1-CD1 4.43Å; P284-I286 HydrophobicContact CB-CG1 4.01Å; P284-I286 HydrophobicContact CG-CD1 3.94Å; P284-I286 HydrophobicContact CG-CG1 3.89Å; P284-I286 PolarHBondContact O-N 2.83Å
287E68.8Low80.5Confident141 Ų14180.7 Ų80.766%0.65942%0.419SS*.  trans-67.1140.1171.2-69176.7177.300110R285 V289R285-E287 VanDerWaalsContact C-N 3.35Å; R285-E287 PolarHBondContact O-N 3.06Å; R285-E287 VanDerWaalsContact O-N 3.1Å; E287-V289 VanDerWaalsContact C-N 3.31Å; E287-V289 PolarHBondContact O-N 3.27Å
288P67.9Low80.6Confident130 Ų13077.3 Ų77.384%0.84441%0.406SS*.  trans-73.486.8174.331.2-33.5000109.5D290P288-D290 PolarHBondContact O-N 2.99Å
289V70.9Confident80.7Confident52 Ų5277.3 Ų77.332%0.31541%0.407SS..  trans-73.8121.7172.3-178.90000108.8E287 F291E287-V289 VanDerWaalsContact C-N 3.31Å; E287-V289 PolarHBondContact O-N 3.27Å; V289-F291 HydrophobicContact CB-CE1 4.06Å; V289-F291 HydrophobicContact CB-CE2 4.2Å; V289-F291 HydrophobicContact CB-CZ 3.86Å; V289-F291 HydrophobicContact CG1-CD1 3.95Å; V289-F291 HydrophobicContact CG1-CE1 3.83Å; V289-F291 HydrophobicContact CG1-CG 4.36Å; V289-F291 HydrophobicContact CG1-CZ 4.14Å; V289-F291 WeakPolarHBondContact O-CD2 3.36Å; V289-F291 WeakPolarHBondContact O-CE2 3.35Å; V289-F291 PolarHBondContact O-N 3.36Å
290D82.7Confident80.9Confident86 Ų8680.8 Ų80.846%0.4642%0.418SS..  trans-78.1101.6163.1-179.7-10000108.6P288 Q292 S293 K294P288-D290 PolarHBondContact O-N 2.99Å; D290-Q292 VanDerWaalsContact C-N 3.3Å; D290-Q292 PolarHBondContact O-N 3.24Å; D290-Q292 PolarHBondContact OD1-N 2.92Å; D290-S293 VanDerWaalsContact CG-CB 3.47Å; D290-S293 PolarHBondContact OD1-N 3.45Å; D290-S293 WeakPolarHBondContact OD2-CB 3.48Å; D290-S293 PolarHBondContact OD2-OG 3.31Å; D290-K294 WeakPolarHBondContact O-CB 3.46Å; D290-K294 PolarHBondContact O-N 3.01Å
291F85.8Confident81.5Confident27 Ų2778.9 Ų78.912%0.11840%0.399CS..Hα-helixtrans-69-27.9-179.9-61-79.7000112.7L261 R264 E265 L268 V289 L295L261-F291 HydrophobicContact CB-CD1 4.21Å; L261-F291 HydrophobicContact CD2-CD1 4.08Å; R264-F291 HydrophobicContact CB-CE1 4.35Å; R264-F291 HydrophobicContact CG-CE1 4.37Å; E265-F291 HydrophobicContact CB-CD1 4.28Å; E265-F291 HydrophobicContact CB-CD2 3.78Å; E265-F291 HydrophobicContact CB-CE1 4.06Å; E265-F291 HydrophobicContact CB-CE2 3.53Å; E265-F291 HydrophobicContact CB-CG 4.17Å; E265-F291 HydrophobicContact CB-CZ 3.69Å; E265-F291 VanDerWaalsContact CD-CD2 3.44Å; E265-F291 HydrophobicContact CG-CD2 3.78Å; E265-F291 HydrophobicContact CG-CE2 3.53Å; E265-F291 HydrophobicContact CG-CZ 4.16Å; L268-F291 HydrophobicContact CD1-CZ 3.98Å; V289-F291 HydrophobicContact CB-CE1 4.06Å; V289-F291 HydrophobicContact CB-CE2 4.2Å; V289-F291 HydrophobicContact CB-CZ 3.86Å; V289-F291 HydrophobicContact CG1-CD1 3.95Å; V289-F291 HydrophobicContact CG1-CE1 3.83Å; V289-F291 HydrophobicContact CG1-CG 4.36Å; V289-F291 HydrophobicContact CG1-CZ 4.14Å; V289-F291 WeakPolarHBondContact O-CD2 3.36Å; V289-F291 WeakPolarHBondContact O-CE2 3.35Å; V289-F291 PolarHBondContact O-N 3.36Å; F291-L295 VanDerWaalsContact O-CB 3.31Å; F291-L295 WeakPolarHBondContact O-CB 3.34Å; F291-L295 PolarHBondContact O-N 3.21Å
292Q86.8Confident82.1Confident101 Ų10172.6 Ų72.647%0.47237%0.366SS..Hα-helixtrans-74.7-54.6179.6-176.655.446.600110.1D290 K294 L295 D296D290-Q292 VanDerWaalsContact C-N 3.3Å; D290-Q292 PolarHBondContact O-N 3.24Å; D290-Q292 PolarHBondContact OD1-N 2.92Å; Q292-K294 PolarHBondContact O-N 3.07Å; Q292-L295 PolarHBondContact O-N 3.21Å; Q292-D296 PolarHBondContact NE2-OD1 3.32Å; Q292-D296 PolarHBondContact NE2-OD2 2.92Å; Q292-D296 PolarHBondContact O-N 2.89Å
293S88.7Confident82.7Confident67 Ų6776 Ų7647%0.46938%0.379SS..Hα-helixtrans-58.1-32.6173.1-65.90000112D290 S297D290-S293 VanDerWaalsContact CG-CB 3.47Å; D290-S293 PolarHBondContact OD1-N 3.45Å; D290-S293 WeakPolarHBondContact OD2-CB 3.48Å; D290-S293 PolarHBondContact OD2-OG 3.31Å; S293-S297 WeakPolarHBondContact O-CB 3.47Å; S293-S297 PolarHBondContact O-N 2.85Å
294K90.2Very high83.7Confident71 Ų7171.8 Ų71.831%0.30937%0.371SS..Hα-helixtrans-71.1-39.4175.3-174.564.1-140.4124.60112.8L261 D290 Q292 S297 L298L261-K294 HydrophobicContact CD2-CG 4.26Å; D290-K294 WeakPolarHBondContact O-CB 3.46Å; D290-K294 PolarHBondContact O-N 3.01Å; Q292-K294 PolarHBondContact O-N 3.07Å; K294-S297 PolarHBondContact NZ-OG 3.5Å; K294-S297 VanDerWaalsContact NZ-OG 3.09Å; K294-L298 WeakPolarHBondContact O-CG 2.92Å; K294-L298 PolarHBondContact O-N 3.21Å
295L91Very high84.5Confident7 Ų772 Ų724%0.03737%0.37CS..Hα-helixtrans-64.2-49173.9178.360.8000110.7C257 Q258 L261 F291 Q292 S297 L298 V299C257-L295 HydrophobicContact CB-CD1 3.81Å; Q258-L295 HydrophobicContact CB-CD1 4.2Å; Q258-L295 HydrophobicContact CB-CD2 3.9Å; Q258-L295 HydrophobicContact CG-CD2 4Å; L261-L295 HydrophobicContact CD1-CB 3.85Å; L261-L295 HydrophobicContact CD1-CD1 4.22Å; F291-L295 VanDerWaalsContact O-CB 3.31Å; F291-L295 WeakPolarHBondContact O-CB 3.34Å; F291-L295 PolarHBondContact O-N 3.21Å; Q292-L295 PolarHBondContact O-N 3.21Å; L295-S297 VanDerWaalsContact C-N 3.32Å; L295-S297 PolarHBondContact O-N 2.83Å; L295-L298 PolarHBondContact O-N 3.25Å; L295-V299 HydrophobicContact CD1-CG2 4.04Å; L295-V299 HydrophobicContact CG-CG2 4.32Å; L295-V299 WeakPolarHBondContact O-CG2 3.24Å; L295-V299 PolarHBondContact O-N 3.28Å
296D92Very high85.1Confident53 Ų5368.7 Ų68.728%0.28337%0.366SS..Hα-helixtrans-62.3-39.9-179.8-66.1-32.7000111.5Q292 L298 V299 Q300Q292-D296 PolarHBondContact NE2-OD1 3.32Å; Q292-D296 PolarHBondContact NE2-OD2 2.92Å; Q292-D296 PolarHBondContact O-N 2.89Å; D296-L298 VanDerWaalsContact C-N 3.32Å; D296-L298 PolarHBondContact O-N 3.06Å; D296-V299 PolarHBondContact O-N 2.9Å; D296-Q300 WeakPolarHBondContact O-CB 3.31Å; D296-Q300 WeakPolarHBondContact O-CG 3.43Å; D296-Q300 PolarHBondContact O-N 3.25Å
297S92.8Very high85.6Confident46 Ų4669.1 Ų69.132%0.32237%0.371SS..Hα-helixtrans-56.8-40171159.90000113.3S293 K294 L295 I301S293-S297 WeakPolarHBondContact O-CB 3.47Å; S293-S297 PolarHBondContact O-N 2.85Å; K294-S297 PolarHBondContact NZ-OG 3.5Å; K294-S297 VanDerWaalsContact NZ-OG 3.09Å; L295-S297 VanDerWaalsContact C-N 3.32Å; L295-S297 PolarHBondContact O-N 2.83Å; S297-I301 WeakPolarHBondContact O-CD1 3.43Å; S297-I301 VanDerWaalsContact O-CG1 3.32Å; S297-I301 WeakPolarHBondContact O-CG1 3.29Å; S297-I301 PolarHBondContact O-N 3.3Å
298L92.7Very high86.3Confident6 Ų663.7 Ų63.73%0.03135%0.346CS..Hα-helixtrans-73.6-43177.5-65.1173.9000111H253 C257 K294 L295 D296 I301 A302 D318 L322H253-L298 PolarHBondContact CE1-O 3.24Å; C257-L298 HydrophobicContact CB-CD1 4.37Å; K294-L298 WeakPolarHBondContact O-CG 2.92Å; K294-L298 PolarHBondContact O-N 3.21Å; L295-L298 PolarHBondContact O-N 3.25Å; D296-L298 VanDerWaalsContact C-N 3.32Å; D296-L298 PolarHBondContact O-N 3.06Å; L298-I301 PolarHBondContact O-N 3.02Å; L298-A302 PolarHBondContact O-N 2.73Å; L298-A302 VanDerWaalsContact O-N 3.07Å; L298-D318 WeakPolarHBondContact CD2-OD1 3.27Å; L298-L322 HydrophobicContact CD1-CD1 4.07Å
299V91.7Very high87.1Confident14 Ų1461.5 Ų61.59%0.08533%0.327CS..Hα-helixtrans-65.1-39.3-179.5170.90000111.4R254 L295 D296 I301 A302 Q303R254-V299 HydrophobicContact CB-CG2 3.96Å; R254-V299 HydrophobicContact CG-CG2 3.86Å; L295-V299 HydrophobicContact CD1-CG2 4.04Å; L295-V299 HydrophobicContact CG-CG2 4.32Å; L295-V299 WeakPolarHBondContact O-CG2 3.24Å; L295-V299 PolarHBondContact O-N 3.28Å; D296-V299 PolarHBondContact O-N 2.9Å; V299-I301 PolarHBondContact O-N 2.98Å; V299-A302 CarbonylContact O-C 3.55Å; V299-A302 PolarHBondContact O-N 2.65Å; V299-Q303 HydrophobicContact CG1-CG 4.28Å; V299-Q303 WeakPolarHBondContact O-CB 3.42Å; V299-Q303 VanDerWaalsContact O-CG 3.22Å; V299-Q303 WeakPolarHBondContact O-CG 3.44Å; V299-Q303 PolarHBondContact O-N 3.04Å
300Q91.6Very high87.9Confident125 Ų12562.7 Ų62.758%0.58433%0.332SS*.Hα-helixtrans-60.8-43.1174.6-75.4167.913.700111.8D296 Q303 S304D296-Q300 WeakPolarHBondContact O-CB 3.31Å; D296-Q300 WeakPolarHBondContact O-CG 3.43Å; D296-Q300 PolarHBondContact O-N 3.25Å; Q300-Q303 PolarHBondContact O-N 3.15Å; Q300-S304 PolarHBondContact O-N 2.76Å
301I91.5Very high88.2Confident69 Ų6958.6 Ų58.635%0.35431%0.31SS..Hα-helixtrans-60.1-51.8174.9-65.6164.8000109.7S297 L298 V299 Q303 S304 L305 Q314S297-I301 WeakPolarHBondContact O-CD1 3.43Å; S297-I301 VanDerWaalsContact O-CG1 3.32Å; S297-I301 WeakPolarHBondContact O-CG1 3.29Å; S297-I301 PolarHBondContact O-N 3.3Å; L298-I301 PolarHBondContact O-N 3.02Å; V299-I301 PolarHBondContact O-N 2.98Å; I301-Q303 PolarHBondContact O-N 2.92Å; I301-S304 PolarHBondContact O-N 2.85Å; I301-S304 PolarHBondContact O-OG 3.3Å; I301-L305 PolarHBondContact O-N 2.69Å; I301-Q314 HydrophobicContact CG2-CG 4.19Å
302A88.3Confident88.2Confident1 Ų157.4 Ų57.41%0.00831%0.305CS..Hα-helixtrans-64.7-20177.400000114.5R250 H253 L298 V299 L311R250-A302 PolarHBondContact NE-O 3.47Å; H253-A302 VanDerWaalsContact CE1-CB 3.47Å; H253-A302 WeakPolarHBondContact CE1-CB 3.46Å; H253-A302 WeakPolarHBondContact ND1-CB 3.14Å; L298-A302 PolarHBondContact O-N 2.73Å; L298-A302 VanDerWaalsContact O-N 3.07Å; V299-A302 CarbonylContact O-C 3.55Å; V299-A302 PolarHBondContact O-N 2.65Å; A302-L311 HydrophobicContact CB-CD1 3.98Å
303Q87.2Confident88.4Confident107 Ų10757.5 Ų57.550%0.531%0.309SS..Hα-helixtrans-80.2-26.6172.3-77.7172.8-2.800113.3R250 V299 Q300 I301R250-Q303 PolarHBondContact NH1-O 3.04Å; R250-Q303 PolarHBondContact NH2-O 2.88Å; V299-Q303 HydrophobicContact CG1-CG 4.28Å; V299-Q303 WeakPolarHBondContact O-CB 3.42Å; V299-Q303 VanDerWaalsContact O-CG 3.22Å; V299-Q303 WeakPolarHBondContact O-CG 3.44Å; V299-Q303 PolarHBondContact O-N 3.04Å; Q300-Q303 PolarHBondContact O-N 3.15Å; I301-Q303 PolarHBondContact O-N 2.92Å
304S88.1Confident88.5Confident84 Ų8456 Ų5659%0.58729%0.294SS*.Hα-helixtrans-80.7-12.2176.165.80000114.6Q300 I301Q300-S304 PolarHBondContact O-N 2.76Å; I301-S304 PolarHBondContact O-N 2.85Å; I301-S304 PolarHBondContact O-OG 3.3Å
305L87.2Confident88.6Confident36 Ų3652.7 Ų52.719%0.18828%0.28CS..  trans-85.5123-179-61.8176.6000112R250 I301 D310 Q314R250-L305 PolarHBondContact NH2-O 2.76Å; I301-L305 PolarHBondContact O-N 2.69Å; L305-D310 HydrophobicContact CB-CB 4.36Å; L305-D310 HydrophobicContact CD1-CB 4.26Å; L305-D310 HydrophobicContact CD2-CB 4.08Å; L305-D310 HydrophobicContact CG-CB 4.46Å; L305-Q314 HydrophobicContact CD1-CB 3.44Å; L305-Q314 VanDerWaalsContact CD1-CB 3.44Å; L305-Q314 HydrophobicContact CD1-CG 3.77Å
306E80Confident88.6Confident170 Ų17054.8 Ų54.879%0.79430%0.295SS*.  trans-92.8-24.4-175.1-60.4-170.4158.700114.1Y246Y246-E306 VanDerWaalsContact CE1-O 3.23Å; Y246-E306 WeakPolarHBondContact CE1-O 3.29Å; Y246-E306 PolarHBondContact OH-O 3.19Å
307T82.5Confident88.7Confident59 Ų5957.7 Ų57.736%0.36231%0.306SS..SBendtrans-96.4147.8-178.7880000112.5D309 D310 L311T307-D309 PolarHBondContact O-N 2.99Å; T307-D309 PolarHBondContact OG1-N 2.87Å; T307-D310 WeakPolarHBondContact CG2-OD2 3.25Å; T307-D310 WeakPolarHBondContact OG1-CB 3.3Å; T307-D310 PolarHBondContact OG1-N 2.69Å; T307-D310 PolarHBondContact OG1-OD2 2.91Å; T307-L311 WeakPolarHBondContact O-CB 3.17Å; T307-L311 PolarHBondContact O-N 3.1Å; T307-L311 VanDerWaalsContact O-N 3.09Å
308D81.9Confident88.8Confident27 Ų2755.7 Ų55.714%0.14429%0.291CS..Hα-helixtrans-59.5-34.7173-80.7-61.8000112.6R245 Y246 A312R245-D308 IonicContact CZ-OD1 2.7Å; R245-D308 IonicContact CZ-OD2 2.96Å; R245-D308 VanDerWaalsContact CZ-OD2 3.23Å; R245-D308 IonicContact NE-OD1 3.65Å; R245-D308 PolarHBondContact NE-OD1 2.88Å; R245-D308 IonicContact NH1-OD1 3.38Å; R245-D308 PolarHBondContact NH1-OD1 3.13Å; R245-D308 IonicContact NH1-OD2 3.31Å; R245-D308 PolarHBondContact NH1-OD2 2.71Å; R245-D308 IonicContact NH2-OD1 2.72Å; R245-D308 PolarHBondContact NH2-OD1 3.33Å; R245-D308 IonicContact NH2-OD2 3.72Å; R245-D308 PolarHBondContact NH2-OD2 3.2Å; Y246-D308 PolarHBondContact OH-N 3.07Å; Y246-D308 VanDerWaalsContact OH-N 3.14Å; Y246-D308 PolarHBondContact OH-OD2 2.92Å; Y246-D308 VanDerWaalsContact OH-OD2 3.1Å; D308-A312 WeakPolarHBondContact O-CB 3.46Å; D308-A312 PolarHBondContact O-N 2.76Å
309D84.9Confident88.9Confident84 Ų8455.4 Ų55.445%0.44929%0.29SS..Hα-helixtrans-73.2-46.3-178.9-84.3-61.7000112H234 T307 L311 A312 N313H234-D309 IonicContact CE1-OD1 2.62Å; H234-D309 PolarHBondContact CE1-OD1 3.25Å; H234-D309 VanDerWaalsContact CE1-OD1 3.25Å; H234-D309 IonicContact CE1-OD2 3.21Å; H234-D309 IonicContact CG-OD1 3.57Å; H234-D309 IonicContact ND1-OD1 3.03Å; H234-D309 PolarHBondContact ND1-OD1 3.41Å; H234-D309 IonicContact ND1-OD2 2.71Å; T307-D309 PolarHBondContact O-N 2.99Å; T307-D309 PolarHBondContact OG1-N 2.87Å; D309-L311 VanDerWaalsContact C-N 3.33Å; D309-L311 PolarHBondContact O-N 3.08Å; D309-A312 PolarHBondContact O-N 3.33Å; D309-N313 WeakPolarHBondContact O-CB 3.37Å; D309-N313 PolarHBondContact O-N 3.32Å; D309-N313 PolarHBondContact O-ND2 3.4Å
310D88.2Confident89.1Confident77 Ų7757.4 Ų57.441%0.41231%0.307SS..Hα-helixtrans-63.7-42.1176.4-61.7-49.2000110.7L305 T307 A312 N313 Q314L305-D310 HydrophobicContact CB-CB 4.36Å; L305-D310 HydrophobicContact CD1-CB 4.26Å; L305-D310 HydrophobicContact CD2-CB 4.08Å; L305-D310 HydrophobicContact CG-CB 4.46Å; T307-D310 WeakPolarHBondContact CG2-OD2 3.25Å; T307-D310 WeakPolarHBondContact OG1-CB 3.3Å; T307-D310 PolarHBondContact OG1-N 2.69Å; T307-D310 PolarHBondContact OG1-OD2 2.91Å; D310-A312 PolarHBondContact O-N 2.79Å; D310-N313 PolarHBondContact O-N 2.89Å; D310-Q314 VanDerWaalsContact O-CB 3.29Å; D310-Q314 WeakPolarHBondContact O-CB 3.44Å; D310-Q314 PolarHBondContact O-N 3.43Å
311L88.6Confident89.2Confident0 Ų057.4 Ų57.40%030%0.302CS..Hα-helixtrans-63.2-41.2175.3-177.657.6000111.9Y246 A249 R250 A302 T307 D309 Q314 I315Y246-L311 HydrophobicContact CD1-CD2 4.13Å; A249-L311 HydrophobicContact CB-CD2 3.74Å; A249-L311 HydrophobicContact CB-CG 4.46Å; R250-L311 HydrophobicContact CG-CD1 4.2Å; R250-L311 HydrophobicContact CG-CD2 4.09Å; A302-L311 HydrophobicContact CB-CD1 3.98Å; T307-L311 WeakPolarHBondContact O-CB 3.17Å; T307-L311 PolarHBondContact O-N 3.1Å; T307-L311 VanDerWaalsContact O-N 3.09Å; D309-L311 VanDerWaalsContact C-N 3.33Å; D309-L311 PolarHBondContact O-N 3.08Å; L311-Q314 PolarHBondContact O-N 3.18Å; L311-I315 HydrophobicContact CD1-CD1 4.1Å; L311-I315 HydrophobicContact CD1-CG1 4.46Å; L311-I315 HydrophobicContact CG-CD1 4.02Å; L311-I315 WeakPolarHBondContact O-CB 3.32Å; L311-I315 WeakPolarHBondContact O-CD1 3.43Å; L311-I315 VanDerWaalsContact O-CG1 3.24Å; L311-I315 WeakPolarHBondContact O-CG1 3.47Å; L311-I315 PolarHBondContact O-N 2.75Å
312A87.4Confident89.4Confident2 Ų254.5 Ų54.52%0.01729%0.287CS..Hα-helixtrans-64.1-41.5174.600000112.7W233 H234 I237 D308 D309 D310 S316W233-A312 HydrophobicContact CB-CB 4.47Å; H234-A312 HydrophobicContact CB-CB 3.85Å; I237-A312 HydrophobicContact CD1-CB 3.79Å; D308-A312 WeakPolarHBondContact O-CB 3.46Å; D308-A312 PolarHBondContact O-N 2.76Å; D309-A312 PolarHBondContact O-N 3.33Å; D310-A312 PolarHBondContact O-N 2.79Å; A312-S316 WeakPolarHBondContact O-CB 3.38Å; A312-S316 PolarHBondContact O-N 2.82Å
313N89.7Confident89.8Confident102 Ų10254.5 Ų54.555%0.54529%0.287SS..Hα-helixtrans-67.4-41.8177.6-72.3-35.6000111.3D309 D310 S316 F317D309-N313 WeakPolarHBondContact O-CB 3.37Å; D309-N313 PolarHBondContact O-N 3.32Å; D309-N313 PolarHBondContact O-ND2 3.4Å; D310-N313 PolarHBondContact O-N 2.89Å; N313-S316 WeakPolarHBondContact O-CB 3.21Å; N313-S316 PolarHBondContact O-N 3.41Å; N313-F317 WeakPolarHBondContact O-CB 3.14Å; N313-F317 PolarHBondContact O-N 3.15Å
314Q91.8Very high90.2Very high36 Ų3652.5 Ų52.517%0.16829%0.285CS..Hα-helixtrans-64.4-43.6175.6-174.162.434.200111.8I301 L305 D310 L311 S316 F317 D318I301-Q314 HydrophobicContact CG2-CG 4.19Å; L305-Q314 HydrophobicContact CD1-CB 3.44Å; L305-Q314 VanDerWaalsContact CD1-CB 3.44Å; L305-Q314 HydrophobicContact CD1-CG 3.77Å; D310-Q314 VanDerWaalsContact O-CB 3.29Å; D310-Q314 WeakPolarHBondContact O-CB 3.44Å; D310-Q314 PolarHBondContact O-N 3.43Å; L311-Q314 PolarHBondContact O-N 3.18Å; Q314-S316 VanDerWaalsContact C-N 3.32Å; Q314-S316 PolarHBondContact O-N 2.87Å; Q314-F317 PolarHBondContact O-N 2.96Å; Q314-D318 PolarHBondContact NE2-OD1 2.72Å; Q314-D318 VanDerWaalsContact NE2-OD1 3.08Å; Q314-D318 PolarHBondContact NE2-OD2 2.95Å; Q314-D318 WeakPolarHBondContact O-CB 3.17Å; Q314-D318 PolarHBondContact O-N 3.02Å
315I91.4Very high90.5Very high1 Ų151.8 Ų51.81%0.00527%0.272CS..Hα-helixtrans-58.3-45.9172.1-72.9161.4000110.7W233 I237 H253 L311 F317 V319W233-I315 HydrophobicContact CB-CG2 4.33Å; W233-I315 HydrophobicContact CD2-CG2 3.58Å; W233-I315 HydrophobicContact CE3-CG2 3.58Å; W233-I315 HydrophobicContact CG-CG2 3.93Å; W233-I315 HydrophobicContact CZ3-CG2 4.15Å; I237-I315 HydrophobicContact CD1-CD1 3.69Å; H253-I315 HydrophobicContact CB-CD1 4.15Å; H253-I315 HydrophobicContact CB-CG1 3.77Å; L311-I315 HydrophobicContact CD1-CD1 4.1Å; L311-I315 HydrophobicContact CD1-CG1 4.46Å; L311-I315 HydrophobicContact CG-CD1 4.02Å; L311-I315 WeakPolarHBondContact O-CB 3.32Å; L311-I315 WeakPolarHBondContact O-CD1 3.43Å; L311-I315 VanDerWaalsContact O-CG1 3.24Å; L311-I315 WeakPolarHBondContact O-CG1 3.47Å; L311-I315 PolarHBondContact O-N 2.75Å; I315-F317 PolarHBondContact O-N 3.16Å; I315-V319 HydrophobicContact CG2-CG2 4.36Å; I315-V319 VanDerWaalsContact O-CB 3.3Å; I315-V319 WeakPolarHBondContact O-CB 3.33Å; I315-V319 VanDerWaalsContact O-CG2 3.24Å; I315-V319 WeakPolarHBondContact O-CG2 3.35Å; I315-V319 PolarHBondContact O-N 3.34Å
316S91.8Very high90.9Very high51 Ų5150.1 Ų50.136%0.35726%0.264SS..Hα-helixtrans-59.8-45.7177-163.20000112.3W233 A312 N313 Q314 A320W233-S316 VanDerWaalsContact CD1-CA 3.46Å; W233-S316 VanDerWaalsContact CD1-CB 3.43Å; A312-S316 WeakPolarHBondContact O-CB 3.38Å; A312-S316 PolarHBondContact O-N 2.82Å; N313-S316 WeakPolarHBondContact O-CB 3.21Å; N313-S316 PolarHBondContact O-N 3.41Å; Q314-S316 VanDerWaalsContact C-N 3.32Å; Q314-S316 PolarHBondContact O-N 2.87Å; S316-A320 WeakPolarHBondContact O-CB 3.42Å; S316-A320 PolarHBondContact O-N 3.45Å; S316-A320 VanDerWaalsContact O-N 3.12Å
317F93.8Very high91.6Very high115 Ų11544.1 Ų44.150%0.50424%0.239SC..Hα-helixtrans-66.3-49.9-178.7178.9-102.1000112.2N313 Q314 I315 R321N313-F317 WeakPolarHBondContact O-CB 3.14Å; N313-F317 PolarHBondContact O-N 3.15Å; Q314-F317 PolarHBondContact O-N 2.96Å; I315-F317 PolarHBondContact O-N 3.16Å; F317-R321 WeakPolarHBondContact O-CB 3.24Å; F317-R321 PolarHBondContact O-N 3.25Å
318D95.4Very high92.1Very high3 Ų345.1 Ų45.12%0.01624%0.244CC..Hα-helixtrans-66.9-45-177.6-73.3-27.2000112.1H253 L298 Q314 R321 L322H253-D318 IonicContact CD2-OD2 3.76Å; H253-D318 IonicContact CE1-OD2 2.96Å; H253-D318 IonicContact NE2-OD2 2.89Å; H253-D318 PolarHBondContact NE2-OD2 3.32Å; L298-D318 WeakPolarHBondContact CD2-OD1 3.27Å; Q314-D318 PolarHBondContact NE2-OD1 2.72Å; Q314-D318 VanDerWaalsContact NE2-OD1 3.08Å; Q314-D318 PolarHBondContact NE2-OD2 2.95Å; Q314-D318 WeakPolarHBondContact O-CB 3.17Å; Q314-D318 PolarHBondContact O-N 3.02Å; D318-R321 PolarHBondContact O-N 3.02Å; D318-L322 WeakPolarHBondContact O-CB 3.39Å; D318-L322 WeakPolarHBondContact O-CG 3.37Å; D318-L322 PolarHBondContact O-N 2.88Å
319V94.3Very high92.7Very high1 Ų144.3 Ų44.31%0.00624%0.24CC..Hα-helixtrans-65.3-42.3179.6175.50000110.8I202 W233 L256 L260 I315 S323I202-V319 HydrophobicContact CB-CG1 3.79Å; I202-V319 HydrophobicContact CG2-CG1 3.98Å; I202-V319 WeakPolarHBondContact O-CG1 3.5Å; W233-V319 HydrophobicContact CZ2-CB 4.36Å; W233-V319 HydrophobicContact CZ2-CG1 3.99Å; W233-V319 HydrophobicContact CZ2-CG2 4.47Å; L256-V319 HydrophobicContact CB-CG2 4.08Å; L256-V319 HydrophobicContact CD1-CG2 4.12Å; L260-V319 HydrophobicContact CD1-CG1 4.15Å; I315-V319 HydrophobicContact CG2-CG2 4.36Å; I315-V319 VanDerWaalsContact O-CB 3.3Å; I315-V319 WeakPolarHBondContact O-CB 3.33Å; I315-V319 VanDerWaalsContact O-CG2 3.24Å; I315-V319 WeakPolarHBondContact O-CG2 3.35Å; I315-V319 PolarHBondContact O-N 3.34Å; V319-S323 WeakPolarHBondContact O-CB 3.45Å; V319-S323 PolarHBondContact O-N 3Å; V319-S323 PolarHBondContact O-OG 2.85Å
320A94.9Very high93.1Very high55 Ų5540.4 Ų40.446%0.45522%0.219SC..Hα-helixtrans-67-38.9175.300000112.5S316 S324S316-A320 WeakPolarHBondContact O-CB 3.42Å; S316-A320 PolarHBondContact O-N 3.45Å; S316-A320 VanDerWaalsContact O-N 3.12Å; A320-S324 WeakPolarHBondContact O-CB 3.21Å; A320-S324 PolarHBondContact O-N 3.28Å; A320-S324 PolarHBondContact O-OG 3.22Å
321R95.5Very high93.3Very high126 Ų12640 Ų4048%0.47521%0.214SC..Hα-helixtrans-65.2-47.6177.2-177.4177.7-176.3172.53.4111.9F317 D318 S324 Q325F317-R321 WeakPolarHBondContact O-CB 3.24Å; F317-R321 PolarHBondContact O-N 3.25Å; D318-R321 PolarHBondContact O-N 3.02Å; R321-S324 PolarHBondContact O-OG 2.83Å; R321-Q325 VanDerWaalsContact O-CG 3.25Å; R321-Q325 WeakPolarHBondContact O-CG 3.38Å; R321-Q325 PolarHBondContact O-N 2.71Å
322L95.1Very high93.4Very high8 Ų844.8 Ų44.84%0.04224%0.236CC..Hα-helixtrans-66-42.6177.2-69175.3000111.2C257 L260 L261 L298 D318 Q325 N326C257-L322 HydrophobicContact CB-CD1 3.97Å; L260-L322 HydrophobicContact CB-CB 3.99Å; L260-L322 HydrophobicContact CB-CD1 4.22Å; L260-L322 HydrophobicContact CD1-CB 3.84Å; L261-L322 HydrophobicContact CD2-CD2 3.73Å; L261-L322 HydrophobicContact CG-CD1 4.3Å; L261-L322 HydrophobicContact CG-CD2 4.24Å; L298-L322 HydrophobicContact CD1-CD1 4.07Å; D318-L322 WeakPolarHBondContact O-CB 3.39Å; D318-L322 WeakPolarHBondContact O-CG 3.37Å; D318-L322 PolarHBondContact O-N 2.88Å; L322-Q325 PolarHBondContact O-N 2.7Å; L322-N326 PolarHBondContact O-N 2.69Å; L322-N326 PolarHBondContact O-OD1 3.46Å
323S96.4Very high93.6Very high1 Ų144.7 Ų44.71%0.00724%0.235CC..Hα-helixtrans-61.2-47.5177.1-66.10000113.3T200 N201 I202 V319 Q325 N326 T327T200-S323 CarbonylContact O-C 3.48Å; T200-S323 WeakPolarHBondContact O-CA 3.48Å; N201-S323 WeakPolarHBondContact OD1-CB 3.28Å; N201-S323 PolarHBondContact OD1-OG 2.85Å; I202-S323 PolarHBondContact N-OG 3.47Å; I202-S323 VanDerWaalsContact N-OG 3.16Å; V319-S323 WeakPolarHBondContact O-CB 3.45Å; V319-S323 PolarHBondContact O-N 3Å; V319-S323 PolarHBondContact O-OG 2.85Å; S323-Q325 VanDerWaalsContact C-N 3.28Å; S323-Q325 PolarHBondContact O-N 3.22Å; S323-N326 PolarHBondContact O-N 2.88Å; S323-T327 WeakPolarHBondContact O-CB 3.39Å; S323-T327 PolarHBondContact O-N 2.79Å; S323-T327 PolarHBondContact O-OG1 2.52Å
324S96.1Very high93.8Very high64 Ų6439.8 Ų39.845%0.44821%0.209SC..Hα-helixtrans-60.9-39.2176.856.50000111.8A320 R321 T327 V328A320-S324 WeakPolarHBondContact O-CB 3.21Å; A320-S324 PolarHBondContact O-N 3.28Å; A320-S324 PolarHBondContact O-OG 3.22Å; R321-S324 PolarHBondContact O-OG 2.83Å; S324-T327 PolarHBondContact O-N 3.01Å; S324-V328 WeakPolarHBondContact O-CG2 3.38Å; S324-V328 PolarHBondContact O-N 2.92Å
325Q94.2Very high93.6Very high70 Ų7044.3 Ų44.333%0.32723%0.228SC..Hα-helixtrans-68.1-40.1176.5-68.9178.9-1.900112.7R321 L322 S323 V328 L329R321-Q325 VanDerWaalsContact O-CG 3.25Å; R321-Q325 WeakPolarHBondContact O-CG 3.38Å; R321-Q325 PolarHBondContact O-N 2.71Å; L322-Q325 PolarHBondContact O-N 2.7Å; S323-Q325 VanDerWaalsContact C-N 3.28Å; S323-Q325 PolarHBondContact O-N 3.22Å; Q325-V328 PolarHBondContact O-N 3.34Å; Q325-L329 WeakPolarHBondContact O-CB 3.3Å; Q325-L329 PolarHBondContact O-N 3.09Å
326N95Very high93.5Very high0 Ų045 Ų450%023%0.233CC..Hα-helixtrans-66.4-40.9174.7-75.414.9000112L260 R264 M267 L322 S323 V328 L329 F330L260-N326 PolarHBondContact O-ND2 3.2Å; R264-N326 WeakPolarHBondContact CB-OD1 3.44Å; R264-N326 WeakPolarHBondContact CG-OD1 3.37Å; M267-N326 HydrophobicContact CE-CB 4.15Å; L322-N326 PolarHBondContact O-N 2.69Å; L322-N326 PolarHBondContact O-OD1 3.46Å; S323-N326 PolarHBondContact O-N 2.88Å; N326-V328 PolarHBondContact O-N 2.77Å; N326-L329 PolarHBondContact O-N 2.93Å; N326-F330 WeakPolarHBondContact O-CB 3.48Å; N326-F330 PolarHBondContact O-N 2.95Å
327T95Very high93.5Very high44 Ų4442.6 Ų42.627%0.2722%0.216SC..Hα-helixtrans-61.5-42.7175.6-61.90000111.7T200 S323 S324 K331T200-T327 PolarHBondContact O-OG1 2.72Å; S323-T327 WeakPolarHBondContact O-CB 3.39Å; S323-T327 PolarHBondContact O-N 2.79Å; S323-T327 PolarHBondContact O-OG1 2.52Å; S324-T327 PolarHBondContact O-N 3.01Å; T327-K331 WeakPolarHBondContact O-CG 3.39Å; T327-K331 PolarHBondContact O-N 3.04Å
328V93.7Very high93.3Very high80 Ų8037.1 Ų37.149%0.48519%0.192SC..Hα-helixtrans-67.4-45.6175.4170.70000111.4S324 Q325 N326 K331 Q332S324-V328 WeakPolarHBondContact O-CG2 3.38Å; S324-V328 PolarHBondContact O-N 2.92Å; Q325-V328 PolarHBondContact O-N 3.34Å; N326-V328 PolarHBondContact O-N 2.77Å; V328-K331 PolarHBondContact O-N 3.3Å; V328-Q332 HydrophobicContact CG1-CG 4.45Å; V328-Q332 WeakPolarHBondContact O-CG 3.02Å; V328-Q332 PolarHBondContact O-N 2.9Å
329L93.1Very high93Very high11 Ų1139 Ų396%0.05820%0.202CC..Hα-helixtrans-58.5-49.6178173.462.6000111.7R264 M267 L268 W271 Q325 N326 K331 Q332 L333R264-L329 HydrophobicContact CG-CD2 3.57Å; M267-L329 HydrophobicContact CB-CD2 3.82Å; M267-L329 HydrophobicContact CB-CG 4.31Å; M267-L329 HydrophobicContact CE-CD2 4.18Å; M267-L329 HydrophobicContact SD-CD2 4.41Å; M267-L329 HydrophobicContact SD-CG 4.41Å; L268-L329 HydrophobicContact CD1-CD2 4.38Å; L268-L329 HydrophobicContact CD2-CD1 3.74Å; L268-L329 HydrophobicContact CD2-CD2 4.23Å; L268-L329 HydrophobicContact CG-CD1 4.31Å; L268-L329 HydrophobicContact CG-CD2 3.89Å; W271-L329 HydrophobicContact CE3-CD1 3.8Å; W271-L329 HydrophobicContact CZ3-CD1 3.65Å; Q325-L329 WeakPolarHBondContact O-CB 3.3Å; Q325-L329 PolarHBondContact O-N 3.09Å; N326-L329 PolarHBondContact O-N 2.93Å; L329-K331 PolarHBondContact O-N 2.84Å; L329-Q332 PolarHBondContact O-N 3.43Å; L329-L333 WeakPolarHBondContact O-CB 3.48Å; L329-L333 PolarHBondContact O-N 3.09Å
330F94.2Very high92.8Very high1 Ų140.9 Ų40.90%0.00421%0.211CC..Hα-helixtrans-56.6-40.1178.6-177.7-105.4000111.6S9 V11 Y196 A198 T200 M267 N326 C334S9-F330 VanDerWaalsContact O-CZ 3.24Å; S9-F330 WeakPolarHBondContact O-CZ 3.47Å; V11-F330 HydrophobicContact CG2-CE1 3.89Å; V11-F330 HydrophobicContact CG2-CZ 4.01Å; Y196-F330 WeakPolarHBondContact O-CZ 3.31Å; A198-F330 HydrophobicContact CB-CD2 3.71Å; A198-F330 HydrophobicContact CB-CE2 3.96Å; T200-F330 HydrophobicContact CG2-CB 3.8Å; T200-F330 HydrophobicContact CG2-CD1 4.04Å; T200-F330 HydrophobicContact CG2-CG 3.87Å; M267-F330 HydrophobicContact SD-CB 3.77Å; M267-F330 HydrophobicContact SD-CD2 3.84Å; M267-F330 HydrophobicContact SD-CG 4.3Å; N326-F330 WeakPolarHBondContact O-CB 3.48Å; N326-F330 PolarHBondContact O-N 2.95Å; F330-C334 WeakPolarHBondContact O-CB 3.47Å; F330-C334 PolarHBondContact O-N 3.25Å; F330-C334 PolarHBondContact O-SG 3.43Å
331K92.5Very high92.6Very high70 Ų7041.6 Ų41.630%0.30421%0.213SC..Hα-helixtrans-70.7-32.6176.6-68.3-171.2177.1-163.60113.5W61 E114 T327 V328 L329 K335W61-K331 HydrophobicContact CH2-CB 4.27Å; W61-K331 HydrophobicContact CH2-CG 3.99Å; W61-K331 HydrophobicContact CZ3-CG 4.43Å; E114-K331 IonicContact OE1-NZ 3.5Å; E114-K331 IonicContact OE2-NZ 2.68Å; T327-K331 WeakPolarHBondContact O-CG 3.39Å; T327-K331 PolarHBondContact O-N 3.04Å; V328-K331 PolarHBondContact O-N 3.3Å; L329-K331 PolarHBondContact O-N 2.84Å; K331-K335 WeakPolarHBondContact O-CB 3.29Å; K331-K335 WeakPolarHBondContact O-CG 3.15Å; K331-K335 PolarHBondContact O-N 2.75Å
332Q90.9Very high92.3Very high99 Ų9943 Ų4346%0.46322%0.222SC..Hα-helixtrans-72.5-41.3173.1-68.9176.2-4.500112.3W271 V328 L329 S336W271-Q332 HydrophobicContact CH2-CB 3.75Å; W271-Q332 HydrophobicContact CZ3-CB 4.26Å; V328-Q332 HydrophobicContact CG1-CG 4.45Å; V328-Q332 WeakPolarHBondContact O-CG 3.02Å; V328-Q332 PolarHBondContact O-N 2.9Å; L329-Q332 PolarHBondContact O-N 3.43Å; Q332-S336 PolarHBondContact O-N 2.88Å; Q332-S336 PolarHBondContact O-OG 3.28Å
333L91.8Very high92.2Very high0 Ų042.7 Ų42.70%022%0.22CC..Hα-helixtrans-59.2-57174.2172.961.9000110.7M267 F270 W271 L329 K335 S336 V337M267-L333 HydrophobicContact CB-CD2 4.08Å; M267-L333 HydrophobicContact CG-CD2 4.03Å; F270-L333 HydrophobicContact CD1-CD1 3.87Å; F270-L333 HydrophobicContact CD1-CD2 4.05Å; F270-L333 HydrophobicContact CD1-CG 4.45Å; F270-L333 HydrophobicContact CE1-CD1 4.03Å; W271-L333 HydrophobicContact CB-CD1 3.77Å; W271-L333 HydrophobicContact CD2-CD1 4.14Å; W271-L333 HydrophobicContact CG-CD1 3.68Å; L329-L333 WeakPolarHBondContact O-CB 3.48Å; L329-L333 PolarHBondContact O-N 3.09Å; L333-K335 VanDerWaalsContact C-N 3.29Å; L333-K335 PolarHBondContact O-N 2.88Å; L333-S336 WeakPolarHBondContact O-CA 3.33Å; L333-S336 VanDerWaalsContact O-CB 3.26Å; L333-S336 WeakPolarHBondContact O-CB 3.46Å; L333-S336 PolarHBondContact O-N 2.81Å; L333-V337 HydrophobicContact CD1-CG1 3.8Å; L333-V337 WeakPolarHBondContact O-CG2 3.19Å; L333-V337 PolarHBondContact O-N 2.9Å
334C92.5Very high92Very high0 Ų042.7 Ų42.70%022%0.221CC..Hα-helixtrans-63.3-32-177.7-67.60000112.9V11 W61 F330 S336 T338V11-C334 HydrophobicContact CG2-CB 4.15Å; W61-C334 HydrophobicContact CH2-CB 3.73Å; W61-C334 HydrophobicContact CZ2-CB 3.37Å; F330-C334 WeakPolarHBondContact O-CB 3.47Å; F330-C334 PolarHBondContact O-N 3.25Å; F330-C334 PolarHBondContact O-SG 3.43Å; C334-S336 PolarHBondContact O-N 2.81Å; C334-T338 WeakPolarHBondContact O-CB 3.45Å; C334-T338 VanDerWaalsContact O-CG2 3.24Å; C334-T338 WeakPolarHBondContact O-CG2 3.26Å; C334-T338 PolarHBondContact O-N 2.93Å; C334-T338 PolarHBondContact O-OG1 3.42Å
335K89.2Confident91.7Very high131 Ų13141.7 Ų41.757%0.5722%0.216SC*.Hα-helixtrans-64.1-27.8169.8-80.3176.4179.9-174.90113.3W61 K331 L333W61-K335 HydrophobicContact CZ2-CG 4.08Å; K331-K335 WeakPolarHBondContact O-CB 3.29Å; K331-K335 WeakPolarHBondContact O-CG 3.15Å; K331-K335 PolarHBondContact O-N 2.75Å; L333-K335 VanDerWaalsContact C-N 3.29Å; L333-K335 PolarHBondContact O-N 2.88Å
336S88.4Confident91.5Very high16 Ų1640.7 Ų40.711%0.11221%0.211CC..Hα-helixtrans-84.5-44.8-179.3-57.70000112.9W271 L278 Q332 L333 C334 Q340W271-S336 VanDerWaalsContact CZ2-OG 3.29Å; W271-S336 WeakPolarHBondContact CZ2-OG 3.36Å; L278-S336 WeakPolarHBondContact CD2-O 3.33Å; Q332-S336 PolarHBondContact O-N 2.88Å; Q332-S336 PolarHBondContact O-OG 3.28Å; L333-S336 WeakPolarHBondContact O-CA 3.33Å; L333-S336 VanDerWaalsContact O-CB 3.26Å; L333-S336 WeakPolarHBondContact O-CB 3.46Å; L333-S336 PolarHBondContact O-N 2.81Å; C334-S336 PolarHBondContact O-N 2.81Å; S336-Q340 VanDerWaalsContact O-CG 3.24Å; S336-Q340 WeakPolarHBondContact O-CG 3.26Å; S336-Q340 PolarHBondContact O-NE2 2.89Å
337V91.1Very high91.4Very high0 Ų040.7 Ų40.70%021%0.211CC..Hα-helixtrans-90-27.8-168.9-60.20000115.3Y196 F270 L333 Q340 L343Y196-V337 HydrophobicContact CD1-CG2 3.85Å; Y196-V337 HydrophobicContact CE1-CB 4.22Å; Y196-V337 HydrophobicContact CE1-CG2 3.56Å; Y196-V337 HydrophobicContact CE2-CG2 4.32Å; Y196-V337 HydrophobicContact CG-CG2 4.35Å; F270-V337 HydrophobicContact CE1-CG1 4.04Å; F270-V337 HydrophobicContact CE1-CG2 4.41Å; F270-V337 HydrophobicContact CZ-CG1 4.47Å; L333-V337 HydrophobicContact CD1-CG1 3.8Å; L333-V337 WeakPolarHBondContact O-CG2 3.19Å; L333-V337 PolarHBondContact O-N 2.9Å; V337-Q340 WeakPolarHBondContact O-CB 3.32Å; V337-Q340 VanDerWaalsContact O-CG 3.25Å; V337-Q340 WeakPolarHBondContact O-CG 3.43Å; V337-Q340 PolarHBondContact O-N 2.99Å; V337-L343 HydrophobicContact CB-CD2 3.55Å; V337-L343 HydrophobicContact CG1-CD2 3.64Å
338T90.5Very high91.3Very high0 Ų040 Ų400%020%0.203CC..THydrogen-bonded Turntrans-61144.8-176.745.60000112.6V11 E13 R63 V112 Y196 C334 Q340V11-T338 HydrophobicContact CG1-CG2 4.07Å; E13-T338 VanDerWaalsContact OE2-CA 3.3Å; E13-T338 WeakPolarHBondContact OE2-CA 3.46Å; R63-T338 VanDerWaalsContact NH2-C 3.31Å; R63-T338 PolarHBondContact NH2-O 2.94Å; R63-T338 PolarHBondContact NH2-OG1 2.95Å; V112-T338 HydrophobicContact CG1-CG2 4.08Å; Y196-T338 HydrophobicContact CD2-CG2 4.27Å; Y196-T338 HydrophobicContact CE2-CG2 3.94Å; C334-T338 WeakPolarHBondContact O-CB 3.45Å; C334-T338 VanDerWaalsContact O-CG2 3.24Å; C334-T338 WeakPolarHBondContact O-CG2 3.26Å; C334-T338 PolarHBondContact O-N 2.93Å; C334-T338 PolarHBondContact O-OG1 3.42Å; T338-Q340 PolarHBondContact O-N 3.47Å
339L88.9Confident91.1Very high41 Ų4142.6 Ų42.622%0.21521%0.205CC..THydrogen-bonded Turntrans60.15.6178.8-56170.8000115.4E13 R15 C110 V112 S341E13-L339 HydrophobicContact CG-CD2 3.93Å; E13-L339 VanDerWaalsContact OE1-CA 3.25Å; E13-L339 WeakPolarHBondContact OE1-CA 3.38Å; E13-L339 PolarHBondContact OE1-N 3.37Å; E13-L339 PolarHBondContact OE2-N 3.36Å; R15-L339 PolarHBondContact NH1-O 2.79Å; C110-L339 HydrophobicContact CB-CD2 3.78Å; V112-L339 HydrophobicContact CG2-CD1 4.25Å; V112-L339 HydrophobicContact CG2-CD2 4.11Å; V112-L339 HydrophobicContact CG2-CG 4.11Å; L339-S341 PolarHBondContact O-N 2.8Å; L339-S341 VanDerWaalsContact O-N 3.14Å
340Q90.6Very high90.8Very high41 Ų4143 Ų4319%0.19221%0.205CC..  trans-7898.1-176.8-61.3-69.72.600111.7L278 S336 V337 T338 K342 L343 A344L278-Q340 HydrophobicContact CD2-CB 4.23Å; L278-Q340 HydrophobicContact CD2-CG 3.68Å; S336-Q340 VanDerWaalsContact O-CG 3.24Å; S336-Q340 WeakPolarHBondContact O-CG 3.26Å; S336-Q340 PolarHBondContact O-NE2 2.89Å; V337-Q340 WeakPolarHBondContact O-CB 3.32Å; V337-Q340 VanDerWaalsContact O-CG 3.25Å; V337-Q340 WeakPolarHBondContact O-CG 3.43Å; V337-Q340 PolarHBondContact O-N 2.99Å; T338-Q340 PolarHBondContact O-N 3.47Å; Q340-K342 VanDerWaalsContact C-N 3.3Å; Q340-K342 PolarHBondContact O-N 2.86Å; Q340-K342 VanDerWaalsContact O-N 3.11Å; Q340-L343 HydrophobicContact CB-CB 4.03Å; Q340-L343 PolarHBondContact O-N 3.4Å; Q340-A344 PolarHBondContact O-N 2.89Å
341S89.5Confident90.6Very high71 Ų7143.5 Ų43.550%0.49721%0.208SC..Hα-helixtrans-54.5-35.8-170.8-51.70000115.7R15 L339 A345R15-S341 PolarHBondContact NH2-OG 3.06Å; L339-S341 PolarHBondContact O-N 2.8Å; L339-S341 VanDerWaalsContact O-N 3.14Å; S341-A345 WeakPolarHBondContact O-CB 3.24Å; S341-A345 PolarHBondContact O-N 2.94Å
342K90.5Very high90.5Very high155 Ų15540.8 Ų40.867%0.67420%0.196SC*.Hα-helixtrans-68.8-41.7177.2-71.9-176.7177.8-175.50112.1Y277 Q340 F346Y277-K342 WeakPolarHBondContact O-CB 3.45Å; Q340-K342 VanDerWaalsContact C-N 3.3Å; Q340-K342 PolarHBondContact O-N 2.86Å; Q340-K342 VanDerWaalsContact O-N 3.11Å; K342-F346 PolarHBondContact O-N 2.88Å; K342-F346 VanDerWaalsContact O-N 3.12Å
343L91.7Very high90.3Very high1 Ų138.6 Ų38.61%0.00519%0.186CC..Hα-helixtrans-70.3-42177.4-176.863000110.4Y277 L278 V337 Q340 A345 F346 L347Y277-L343 HydrophobicContact CD2-CD1 4.22Å; Y277-L343 HydrophobicContact CG-CD1 4.41Å; L278-L343 HydrophobicContact CD2-CD2 4.17Å; V337-L343 HydrophobicContact CB-CD2 3.55Å; V337-L343 HydrophobicContact CG1-CD2 3.64Å; Q340-L343 HydrophobicContact CB-CB 4.03Å; Q340-L343 PolarHBondContact O-N 3.4Å; L343-A345 PolarHBondContact O-N 3.02Å; L343-F346 HydrophobicContact CD1-CD1 4.15Å; L343-F346 PolarHBondContact O-N 3.25Å; L343-L347 HydrophobicContact CD1-CD1 4.21Å; L343-L347 HydrophobicContact CD1-CG 4.18Å; L343-L347 HydrophobicContact CG-CD1 3.98Å; L343-L347 HydrophobicContact CG-CG 4.32Å; L343-L347 WeakPolarHBondContact O-CB 3.41Å; L343-L347 WeakPolarHBondContact O-CG 3.35Å; L343-L347 PolarHBondContact O-N 2.65Å
344A91.8Very high90Very high2 Ų240.6 Ų40.62%0.01720%0.196CC..Hα-helixtrans-54.5-47.2172.300000112.6H178 Q340 L347 R348H178-A344 VanDerWaalsContact CD2-CB 3.4Å; H178-A344 WeakPolarHBondContact CD2-CB 3.49Å; H178-A344 WeakPolarHBondContact NE2-CB 3.35Å; Q340-A344 PolarHBondContact O-N 2.89Å; A344-L347 PolarHBondContact O-N 3.21Å; A344-R348 WeakPolarHBondContact O-CB 3.36Å; A344-R348 WeakPolarHBondContact O-CG 3.49Å; A344-R348 PolarHBondContact O-N 2.56Å
345A90.7Very high89.9Confident43 Ų4341.4 Ų41.436%0.35520%0.199SC..Hα-helixtrans-64-40.7176.200000112.9S341 L343 R349S341-A345 WeakPolarHBondContact O-CB 3.24Å; S341-A345 PolarHBondContact O-N 2.94Å; L343-A345 PolarHBondContact O-N 3.02Å; A345-R349 PolarHBondContact O-N 2.86Å; A345-R349 VanDerWaalsContact O-N 3.07Å
346F90.6Very high89.9Confident48 Ų4835.4 Ų35.421%0.21117%0.173CC..Hα-helixtrans-63.9-46.3175.3167.6-104.6000112.4E273 Y277 K342 L343 R349 R350E273-F346 WeakPolarHBondContact OE1-CE1 3.37Å; E273-F346 VanDerWaalsContact OE1-CZ 3.29Å; E273-F346 WeakPolarHBondContact OE1-CZ 3.47Å; Y277-F346 HydrophobicContact CD1-CB 3.92Å; Y277-F346 HydrophobicContact CD1-CG 4.28Å; Y277-F346 HydrophobicContact CD2-CD1 4.04Å; Y277-F346 HydrophobicContact CD2-CE1 4.46Å; Y277-F346 HydrophobicContact CD2-CG 4.18Å; Y277-F346 HydrophobicContact CE1-CB 3.85Å; Y277-F346 AromaticContact CE1-CD2 3.92Å; Y277-F346 HydrophobicContact CE1-CD2 3.92Å; Y277-F346 AromaticContact CE1-CG 3.9Å; Y277-F346 HydrophobicContact CE1-CG 3.9Å; Y277-F346 HydrophobicContact CE2-CB 4.44Å; Y277-F346 AromaticContact CE2-CD1 3.81Å; Y277-F346 HydrophobicContact CE2-CD1 3.81Å; Y277-F346 AromaticContact CE2-CD2 3.93Å; Y277-F346 HydrophobicContact CE2-CD2 3.93Å; Y277-F346 AromaticContact CE2-CE1 3.97Å; Y277-F346 HydrophobicContact CE2-CE1 3.97Å; Y277-F346 HydrophobicContact CE2-CE2 4.09Å; Y277-F346 AromaticContact CE2-CG 3.78Å; Y277-F346 HydrophobicContact CE2-CG 3.78Å; Y277-F346 HydrophobicContact CE2-CZ 4.1Å; Y277-F346 HydrophobicContact CG-CB 4.27Å; Y277-F346 HydrophobicContact CG-CG 4.43Å; Y277-F346 AromaticContact CZ-CD2 3.46Å; Y277-F346 VanDerWaalsContact CZ-CD2 3.46Å; Y277-F346 AromaticContact CZ-CE2 3.84Å; Y277-F346 AromaticContact CZ-CG 3.64Å; Y277-F346 WeakPolarHBondContact OH-CD2 3.29Å; Y277-F346 WeakPolarHBondContact OH-CE2 3.29Å; K342-F346 PolarHBondContact O-N 2.88Å; K342-F346 VanDerWaalsContact O-N 3.12Å; L343-F346 HydrophobicContact CD1-CD1 4.15Å; L343-F346 PolarHBondContact O-N 3.25Å; F346-R349 WeakPolarHBondContact O-CB 3.27Å; F346-R349 PolarHBondContact O-N 3.43Å; F346-R350 PolarHBondContact O-N 3.24Å
347L92.7Very high89.8Confident0 Ų036.2 Ų36.20%017%0.174CC..Hα-helixtrans-69-37.4179.6-64.9178.5000112.4H178 Y196 F270 L343 A344 R349 R350 F351H178-L347 HydrophobicContact CB-CB 3.66Å; Y196-L347 HydrophobicContact CE1-CD1 4.41Å; F270-L347 HydrophobicContact CE2-CD1 4.2Å; F270-L347 HydrophobicContact CE2-CD2 4.09Å; F270-L347 HydrophobicContact CZ-CD1 4.11Å; L343-L347 HydrophobicContact CD1-CD1 4.21Å; L343-L347 HydrophobicContact CD1-CG 4.18Å; L343-L347 HydrophobicContact CG-CD1 3.98Å; L343-L347 HydrophobicContact CG-CG 4.32Å; L343-L347 WeakPolarHBondContact O-CB 3.41Å; L343-L347 WeakPolarHBondContact O-CG 3.35Å; L343-L347 PolarHBondContact O-N 2.65Å; A344-L347 PolarHBondContact O-N 3.21Å; L347-R349 VanDerWaalsContact C-N 3.3Å; L347-R349 PolarHBondContact O-N 3.36Å; L347-R350 PolarHBondContact O-N 3.1Å; L347-F351 WeakPolarHBondContact O-CB 3.24Å; L347-F351 PolarHBondContact O-N 2.86Å
348R91.5Very high89.7Confident30 Ų3037.3 Ų37.311%0.11318%0.179CC..Hα-helixtrans-57-44.2168.7-78.5-171.5-67.6152.21.9111.4H178 E192 A344 H352 P1331 F1333H178-R348 HydrophobicContact CB-CG 4.18Å; H178-R348 VanDerWaalsContact ND1-CG 3.26Å; H178-R348 WeakPolarHBondContact ND1-CG 3.3Å; H178-R348 WeakPolarHBondContact O-CA 3.11Å; E192-R348 WeakPolarHBondContact OE1-CD 3.46Å; E192-R348 IonicContact OE1-CZ 2.72Å; E192-R348 IonicContact OE1-NE 2.88Å; E192-R348 IonicContact OE1-NH1 2.7Å; E192-R348 PolarHBondContact OE1-NH1 2.85Å; E192-R348 WeakPolarHBondContact OE2-CD 3.39Å; E192-R348 IonicContact OE2-CZ 3.45Å; E192-R348 IonicContact OE2-NE 2.69Å; E192-R348 PolarHBondContact OE2-NE 2.85Å; E192-R348 IonicContact OE2-NH1 2.71Å; E192-R348 PolarHBondContact OE2-NH1 2.95Å; A344-R348 WeakPolarHBondContact O-CB 3.36Å; A344-R348 WeakPolarHBondContact O-CG 3.49Å; A344-R348 PolarHBondContact O-N 2.56Å; R348-H352 WeakPolarHBondContact O-CB 3.36Å; R348-H352 PolarHBondContact O-N 2.82Å; R348-P1331 HydrophobicContact CB-CB 4.32Å; R348-P1331 HydrophobicContact CB-CG 4.43Å; R348-F1333 PolarHBondContact NH1-O 2.82Å
349R89.5Confident89.7Confident135 Ų13537.4 Ų37.451%0.50918%0.179SC..Hα-helixtrans-61.8-49.6177.3-169.5177.2179161.93.3112.2A345 F346 L347 F351 H352 Q353 P1331A345-R349 PolarHBondContact O-N 2.86Å; A345-R349 VanDerWaalsContact O-N 3.07Å; F346-R349 WeakPolarHBondContact O-CB 3.27Å; F346-R349 PolarHBondContact O-N 3.43Å; L347-R349 VanDerWaalsContact C-N 3.3Å; L347-R349 PolarHBondContact O-N 3.36Å; R349-F351 PolarHBondContact O-N 2.81Å; R349-H352 PolarHBondContact O-N 3.35Å; R349-Q353 WeakPolarHBondContact O-CB 3.21Å; R349-Q353 VanDerWaalsContact O-CG 3.26Å; R349-Q353 WeakPolarHBondContact O-CG 3.33Å; R349-Q353 PolarHBondContact O-N 3.08Å; R349-Q353 PolarHBondContact O-OE1 3.29Å; R349-P1331 HydrophobicContact CB-CG 4.14Å
350R87.1Confident89.9Confident18 Ų1835.4 Ų35.47%0.06817%0.169CC..Hα-helixtrans-59.5-46.7178.3-163.4-177.9-167.8-179.110.8111.6E273 F346 L347 Q353 I354 D906E273-R350 IonicContact OE1-CZ 3.46Å; E273-R350 IonicContact OE1-NH1 3.36Å; E273-R350 PolarHBondContact OE1-NH1 2.9Å; E273-R350 IonicContact OE1-NH2 2.82Å; E273-R350 IonicContact OE2-CZ 3.36Å; E273-R350 IonicContact OE2-NH1 3.44Å; E273-R350 PolarHBondContact OE2-NH1 3.32Å; E273-R350 IonicContact OE2-NH2 3.8Å; E273-R350 PolarHBondContact OE2-NH2 3.19Å; E273-R350 VanDerWaalsContact OE2-NH2 3.16Å; F346-R350 PolarHBondContact O-N 3.24Å; L347-R350 PolarHBondContact O-N 3.1Å; R350-Q353 PolarHBondContact O-N 2.89Å; R350-I354 HydrophobicContact CG-CD1 4.31Å; R350-I354 WeakPolarHBondContact O-CD1 3.24Å; R350-I354 WeakPolarHBondContact O-CG1 3.08Å; R350-I354 PolarHBondContact O-N 3.26Å; R350-D906 IonicContact CZ-OD1 3.7Å; R350-D906 IonicContact CZ-OD2 3.98Å; R350-D906 IonicContact NE-OD1 2.81Å; R350-D906 PolarHBondContact NE-OD1 2.83Å; R350-D906 VanDerWaalsContact NE-OD1 3.15Å; R350-D906 IonicContact NH2-OD1 3.07Å; R350-D906 PolarHBondContact NH2-OD1 3.25Å; R350-D906 IonicContact NH2-OD2 2.77Å; R350-D906 PolarHBondContact NH2-OD2 3.37Å
351F90.7Very high90Very high13 Ų1334.1 Ų34.16%0.05716%0.162CC..Hα-helixtrans-65.4-45.9179-171.8-91.3000112.5Y177 H178 F179 L347 R349 Q353 I354 R355 V405Y177-F351 HydrophobicContact CD1-CB 4.37Å; Y177-F351 AromaticContact CD1-CD2 3.84Å; Y177-F351 HydrophobicContact CD1-CD2 3.84Å; Y177-F351 HydrophobicContact CG-CD2 4.14Å; H178-F351 WeakPolarHBondContact O-CB 3.42Å; F179-F351 HydrophobicContact CB-CD1 3.43Å; F179-F351 VanDerWaalsContact CB-CD1 3.43Å; F179-F351 HydrophobicContact CB-CD2 4.42Å; F179-F351 HydrophobicContact CB-CE1 3.45Å; F179-F351 VanDerWaalsContact CB-CE1 3.45Å; F179-F351 HydrophobicContact CB-CE2 4.44Å; F179-F351 HydrophobicContact CB-CG 3.94Å; F179-F351 HydrophobicContact CB-CZ 3.99Å; F179-F351 HydrophobicContact CG-CE1 4.21Å; F179-F351 HydrophobicContact CG-CZ 4.29Å; L347-F351 WeakPolarHBondContact O-CB 3.24Å; L347-F351 PolarHBondContact O-N 2.86Å; R349-F351 PolarHBondContact O-N 2.81Å; F351-Q353 VanDerWaalsContact C-N 3.33Å; F351-Q353 PolarHBondContact O-N 3.03Å; F351-I354 PolarHBondContact O-N 3.25Å; F351-R355 VanDerWaalsContact O-CB 3.3Å; F351-R355 WeakPolarHBondContact O-CB 3.23Å; F351-R355 PolarHBondContact O-N 3.06Å; F351-V405 HydrophobicContact CE2-CB 4.49Å
352H89.6Confident90.1Very high12 Ų1230.7 Ų30.76%0.05614%0.139CC..Hα-helixtrans-56.8-44.8176.3-177.776.7000111.9R348 R349 I354 R355 M356 A1328 Y1330 P1331R348-H352 WeakPolarHBondContact O-CB 3.36Å; R348-H352 PolarHBondContact O-N 2.82Å; R349-H352 PolarHBondContact O-N 3.35Å; H352-I354 PolarHBondContact O-N 2.78Å; H352-R355 PolarHBondContact O-N 3.48Å; H352-M356 WeakPolarHBondContact O-CB 3.19Å; H352-M356 VanDerWaalsContact O-CG 3.27Å; H352-M356 WeakPolarHBondContact O-CG 3.21Å; H352-M356 PolarHBondContact O-N 2.68Å; H352-A1328 PolarHBondContact NE2-O 2.93Å; H352-Y1330 PolarHBondContact NE2-O 2.78Å; H352-Y1330 VanDerWaalsContact NE2-O 3.14Å; H352-P1331 HydrophobicContact CB-CB 3.98Å; H352-P1331 HydrophobicContact CB-CG 3.85Å
353Q86.5Confident90.3Very high53 Ų5323.3 Ų23.325%0.24811%0.107CC..Hα-helixtrans-63.5-42.5179.1-71.1170.6-58.100112.4R349 R350 F351 K357 Y909R349-Q353 WeakPolarHBondContact O-CB 3.21Å; R349-Q353 VanDerWaalsContact O-CG 3.26Å; R349-Q353 WeakPolarHBondContact O-CG 3.33Å; R349-Q353 PolarHBondContact O-N 3.08Å; R349-Q353 PolarHBondContact O-OE1 3.29Å; R350-Q353 PolarHBondContact O-N 2.89Å; F351-Q353 VanDerWaalsContact C-N 3.33Å; F351-Q353 PolarHBondContact O-N 3.03Å; Q353-K357 WeakPolarHBondContact O-CB 3.45Å; Q353-K357 WeakPolarHBondContact O-CG 3.34Å; Q353-K357 PolarHBondContact O-N 3.09Å; Q353-Y909 HydrophobicContact CB-CE2 3.89Å; Q353-Y909 VanDerWaalsContact CD-OH 3.26Å; Q353-Y909 PolarHBondContact NE2-OH 2.67Å; Q353-Y909 PolarHBondContact OE1-OH 2.98Å
354I86.2Confident90.4Very high42 Ų4223.4 Ų23.422%0.21511%0.107CC..Hα-helixtrans-64.8-44.1175.4-63.4163.7000110.5Y177 R350 F351 H352 K357 R358 L403 Y909Y177-I354 HydrophobicContact CE1-CD1 4.47Å; R350-I354 HydrophobicContact CG-CD1 4.31Å; R350-I354 WeakPolarHBondContact O-CD1 3.24Å; R350-I354 WeakPolarHBondContact O-CG1 3.08Å; R350-I354 PolarHBondContact O-N 3.26Å; F351-I354 PolarHBondContact O-N 3.25Å; H352-I354 PolarHBondContact O-N 2.78Å; I354-K357 PolarHBondContact O-N 2.95Å; I354-R358 PolarHBondContact O-N 3.25Å; I354-L403 HydrophobicContact CG2-CD2 3.88Å; I354-Y909 HydrophobicContact CG1-CD2 4.03Å
355R90.2Very high90.4Very high18 Ų1823.7 Ų23.77%0.06811%0.109CC..Hα-helixtrans-61-48.3178.8-175.3175.2-173.4-99.7-17.1112.4F351 H352 R358 L359 L403 L410 D411 E1599F351-R355 VanDerWaalsContact O-CB 3.3Å; F351-R355 WeakPolarHBondContact O-CB 3.23Å; F351-R355 PolarHBondContact O-N 3.06Å; H352-R355 PolarHBondContact O-N 3.48Å; R355-R358 PolarHBondContact O-N 3.25Å; R355-L359 PolarHBondContact O-N 2.94Å; R355-L403 HydrophobicContact CB-CD1 4.23Å; R355-L403 HydrophobicContact CG-CD1 3.92Å; R355-L410 PolarHBondContact NH2-O 3.31Å; R355-D411 IonicContact CZ-OD1 2.69Å; R355-D411 VanDerWaalsContact CZ-OD1 3.27Å; R355-D411 IonicContact NE-OD1 3.1Å; R355-D411 PolarHBondContact NE-OD1 3.47Å; R355-D411 IonicContact NH2-OD1 3.79Å; R355-D411 PolarHBondContact NH2-OD1 2.85Å; R355-E1599 IonicContact CZ-OE1 3.81Å; R355-E1599 IonicContact CZ-OE2 3.95Å; R355-E1599 IonicContact NH1-OE1 3.78Å; R355-E1599 PolarHBondContact NH1-OE1 3.47Å; R355-E1599 IonicContact NH1-OE2 2.69Å; R355-E1599 PolarHBondContact NH1-OE2 3.19Å; R355-E1599 IonicContact NH2-OE1 3.3Å; R355-E1599 IonicContact NH2-OE2 3.13Å; R355-E1599 PolarHBondContact NH2-OE2 3.39Å
356M88.7Confident90.4Very high4 Ų422.8 Ų22.82%0.0210%0.097CC..Hα-helixtrans-67.3-40.3179.3-66.4-63.6131.100112.1H352 R358 L359 A360 L1326 C1603H352-M356 WeakPolarHBondContact O-CB 3.19Å; H352-M356 VanDerWaalsContact O-CG 3.27Å; H352-M356 WeakPolarHBondContact O-CG 3.21Å; H352-M356 PolarHBondContact O-N 2.68Å; M356-R358 VanDerWaalsContact C-N 3.34Å; M356-R358 PolarHBondContact O-N 3.05Å; M356-L359 HydrophobicContact CE-CD1 3.93Å; M356-L359 PolarHBondContact O-N 2.87Å; M356-L359 HydrophobicContact SD-CD1 4.19Å; M356-A360 WeakPolarHBondContact O-CB 3.42Å; M356-A360 PolarHBondContact O-N 3.44Å; M356-L1326 HydrophobicContact CB-CD1 3.73Å; M356-C1603 HydrophobicContact CE-CB 4.44Å; M356-C1603 HydrophobicContact SD-CB 3.58Å; M356-C1603 VanDerWaalsContact SD-CB 3.58Å
357K86.9Confident90.4Very high33 Ų3323.7 Ų23.714%0.14310%0.102CC..Hα-helixtrans-57.6-44.1171.4-79.2-174.9175.8-165.60111.9Q353 I354 A360 E361 Y909 S912Q353-K357 WeakPolarHBondContact O-CB 3.45Å; Q353-K357 WeakPolarHBondContact O-CG 3.34Å; Q353-K357 PolarHBondContact O-N 3.09Å; I354-K357 PolarHBondContact O-N 2.95Å; K357-A360 WeakPolarHBondContact O-CB 3.23Å; K357-A360 PolarHBondContact O-N 2.88Å; K357-E361 PolarHBondContact O-N 3.47Å; K357-Y909 PolarHBondContact NZ-O 3.32Å; K357-S912 WeakPolarHBondContact CD-OG 3.43Å; K357-S912 VanDerWaalsContact CE-OG 3.26Å; K357-S912 WeakPolarHBondContact CE-OG 3.47Å; K357-S912 PolarHBondContact NZ-OG 2.81Å
358R90.1Very high90.2Very high24 Ų2425.4 Ų25.49%0.09111%0.111CC..Hα-helixtrans-63.7-42.7177.3-174.6-174.4172.3-89.41.7112.9I354 R355 M356 A360 E361 P401 L403 D411 G412I354-R358 PolarHBondContact O-N 3.25Å; R355-R358 PolarHBondContact O-N 3.25Å; M356-R358 VanDerWaalsContact C-N 3.34Å; M356-R358 PolarHBondContact O-N 3.05Å; R358-A360 PolarHBondContact O-N 3.3Å; R358-E361 PolarHBondContact O-N 3.3Å; R358-P401 WeakPolarHBondContact CD-O 3.3Å; R358-P401 PolarHBondContact NE-O 3.01Å; R358-L403 HydrophobicContact CB-CD2 3.99Å; R358-L403 VanDerWaalsContact CD-CD2 3.48Å; R358-L403 HydrophobicContact CG-CD2 4.38Å; R358-D411 PolarHBondContact NH1-O 2.92Å; R358-G412 PolarHBondContact NH1-O 3.02Å; R358-G412 PolarHBondContact NH2-O 2.98Å
359L90.6Very high90Very high1 Ų126 Ų261%0.00512%0.12CC..Hα-helixtrans-61.4-33.9175.3-70.5173.5000111.7R355 M356 L417 K1600 V1604R355-L359 PolarHBondContact O-N 2.94Å; M356-L359 HydrophobicContact CE-CD1 3.93Å; M356-L359 PolarHBondContact O-N 2.87Å; M356-L359 HydrophobicContact SD-CD1 4.19Å; L359-L417 HydrophobicContact CD2-CD1 3.99Å; L359-K1600 HydrophobicContact CB-CD 4.45Å; L359-K1600 HydrophobicContact CB-CG 4.28Å; L359-K1600 WeakPolarHBondContact O-CD 3.29Å; L359-K1600 WeakPolarHBondContact O-CE 3.46Å; L359-K1600 PolarHBondContact O-NZ 3.12Å; L359-K1600 VanDerWaalsContact O-NZ 3.13Å; L359-V1604 HydrophobicContact CB-CG2 4.35Å
360A92.6Very high89.8Confident0 Ų020.7 Ų20.70%010%0.101CC..Hα-helixtrans-72.9-17.4177.700000115.2M356 K357 R358 A362 F363 L1326 V1604M356-A360 WeakPolarHBondContact O-CB 3.42Å; M356-A360 PolarHBondContact O-N 3.44Å; K357-A360 WeakPolarHBondContact O-CB 3.23Å; K357-A360 PolarHBondContact O-N 2.88Å; R358-A360 PolarHBondContact O-N 3.3Å; A360-A362 PolarHBondContact O-N 3.02Å; A360-F363 PolarHBondContact O-N 3.19Å; A360-L1326 HydrophobicContact CB-CD1 4.21Å; A360-L1326 HydrophobicContact CB-CD2 4.39Å; A360-V1604 HydrophobicContact CB-CG1 4.02Å; A360-V1604 HydrophobicContact CB-CG2 4.24Å
361E92.1Very high89.6Confident13 Ų1324.8 Ų24.86%0.06113%0.128CC..THydrogen-bonded Turntrans-63.7-11.9177.3-63.9-64.9179.400114.1K357 R358 Y396 L400 F1300 K1304 S1321K357-E361 PolarHBondContact O-N 3.47Å; R358-E361 PolarHBondContact O-N 3.3Å; E361-Y396 PolarHBondContact O-OH 2.92Å; E361-Y396 PolarHBondContact OE2-OH 3.19Å; E361-L400 HydrophobicContact CB-CD2 3.56Å; E361-L400 HydrophobicContact CG-CD2 4.08Å; E361-F1300 HydrophobicContact CG-CZ 4.15Å; E361-K1304 IonicContact OE1-NZ 3.65Å; E361-K1304 PolarHBondContact OE1-NZ 3.38Å; E361-K1304 WeakPolarHBondContact OE2-CE 3.26Å; E361-K1304 IonicContact OE2-NZ 3.58Å; E361-K1304 PolarHBondContact OE2-NZ 3.09Å; E361-S1321 WeakPolarHBondContact OE1-CB 3.26Å; E361-S1321 WeakPolarHBondContact OE2-CB 3.37Å; E361-S1321 PolarHBondContact OE2-OG 2.89Å
362A92.6Very high89.4Confident0 Ų027.3 Ų27.30%014%0.142CC..THydrogen-bonded Turntrans-125.234.1171.200000112.5A360 F397 L417 I419 I420 K1600A360-A362 PolarHBondContact O-N 3.02Å; A362-F397 HydrophobicContact CB-CD2 4.32Å; A362-F397 HydrophobicContact CB-CE2 3.63Å; A362-F397 HydrophobicContact CB-CZ 4.49Å; A362-L417 HydrophobicContact CB-CD2 4.3Å; A362-I419 HydrophobicContact CB-CG1 4.19Å; A362-I420 PolarHBondContact O-N 3.49Å; A362-I420 VanDerWaalsContact O-N 3.14Å; A362-K1600 VanDerWaalsContact C-NZ 3.25Å; A362-K1600 PolarHBondContact O-NZ 3.28Å
363F93.7Very high89.2Confident0 Ų026.8 Ų26.80%014%0.14CC..EExtended strand (participates in β ladder)trans-125.1119.3171.8-154.4-45.2000107.4A360 I420 E422 Y1320 Y1569 K1600 V1604A360-F363 PolarHBondContact O-N 3.19Å; F363-I420 WeakPolarHBondContact CA-O 3.35Å; F363-I420 HydrophobicContact CD1-CB 4.2Å; F363-I420 HydrophobicContact CD1-CG2 4.18Å; F363-I420 HydrophobicContact CD2-CB 4.19Å; F363-I420 HydrophobicContact CD2-CD1 4.1Å; F363-I420 HydrophobicContact CD2-CG2 4.46Å; F363-I420 HydrophobicContact CE1-CB 4.27Å; F363-I420 HydrophobicContact CE1-CG2 3.76Å; F363-I420 HydrophobicContact CE2-CB 4.26Å; F363-I420 HydrophobicContact CE2-CD1 3.93Å; F363-I420 HydrophobicContact CE2-CG2 4.07Å; F363-I420 HydrophobicContact CG-CB 4.16Å; F363-I420 HydrophobicContact CZ-CB 4.29Å; F363-I420 HydrophobicContact CZ-CG2 3.69Å; F363-E422 HydrophobicContact CE1-CB 4.1Å; F363-Y1320 HydrophobicContact CB-CD2 4.03Å; F363-Y1320 HydrophobicContact CB-CG 4.37Å; F363-Y1320 AromaticContact CD1-CD2 3.36Å; F363-Y1320 HydrophobicContact CD1-CD2 3.36Å; F363-Y1320 AromaticContact CD1-CE2 3.46Å; F363-Y1320 HydrophobicContact CD1-CE2 3.46Å; F363-Y1320 VanDerWaalsContact CD1-CE2 3.46Å; F363-Y1320 HydrophobicContact CD1-CG 4.33Å; F363-Y1320 HydrophobicContact CE1-CD2 4.01Å; F363-Y1320 AromaticContact CE1-CE2 3.6Å; F363-Y1320 HydrophobicContact CE1-CE2 3.6Å; F363-Y1320 AromaticContact CG-CD2 3.86Å; F363-Y1320 HydrophobicContact CG-CD2 3.86Å; F363-Y1320 HydrophobicContact CG-CE2 4.29Å; F363-Y1320 HydrophobicContact CG-CG 4.43Å; F363-Y1320 PolarHBondContact O-N 2.77Å; F363-Y1569 HydrophobicContact CE1-CD1 4.46Å; F363-Y1569 HydrophobicContact CE1-CE1 4.15Å; F363-Y1569 HydrophobicContact CZ-CD1 4.31Å; F363-Y1569 AromaticContact CZ-CE1 3.9Å; F363-Y1569 HydrophobicContact CZ-CE1 3.9Å; F363-K1600 HydrophobicContact CD2-CG 4.03Å; F363-V1604 HydrophobicContact CB-CG1 3.99Å; F363-V1604 HydrophobicContact CD1-CG1 4.49Å; F363-V1604 HydrophobicContact CD2-CB 3.62Å; F363-V1604 HydrophobicContact CD2-CG1 3.48Å; F363-V1604 VanDerWaalsContact CD2-CG1 3.48Å; F363-V1604 HydrophobicContact CD2-CG2 4.21Å; F363-V1604 HydrophobicContact CE2-CB 3.88Å; F363-V1604 HydrophobicContact CE2-CG1 4.01Å; F363-V1604 HydrophobicContact CG-CB 4.41Å; F363-V1604 HydrophobicContact CG-CG1 3.76Å
364F93.4Very high89Confident2 Ų228 Ų281%0.00915%0.148CC..EExtended strand (participates in β ladder)trans-116.9148.4-174.1-60.8-94.2000109.6V391 I419 I420 F421 E422 I1311 F1315 Y1318 V1319F364-V391 HydrophobicContact CE1-CG2 4.49Å; F364-V391 HydrophobicContact CE2-CG1 4.17Å; F364-V391 HydrophobicContact CE2-CG2 4.34Å; F364-V391 HydrophobicContact CZ-CG1 3.95Å; F364-V391 HydrophobicContact CZ-CG2 3.84Å; F364-I419 HydrophobicContact CD2-CG2 4.06Å; F364-I419 HydrophobicContact CE2-CG2 3.89Å; F364-I420 PolarHBondContact N-O 3.18Å; F364-F421 HydrophobicContact CB-CD1 3.51Å; F364-F421 HydrophobicContact CB-CE1 3.75Å; F364-F421 HydrophobicContact CB-CG 4.4Å; F364-F421 HydrophobicContact CD1-CE1 4.49Å; F364-F421 HydrophobicContact CD2-CD1 4.14Å; F364-F421 AromaticContact CD2-CE1 3.61Å; F364-F421 HydrophobicContact CD2-CE1 3.61Å; F364-F421 HydrophobicContact CD2-CZ 4Å; F364-F421 HydrophobicContact CE2-CE1 4.36Å; F364-F421 HydrophobicContact CE2-CZ 4.45Å; F364-F421 HydrophobicContact CG-CD1 4.03Å; F364-F421 AromaticContact CG-CE1 3.71Å; F364-F421 HydrophobicContact CG-CE1 3.71Å; F364-F421 CarbonylContact O-C 3.52Å; F364-F421 WeakPolarHBondContact O-CA 3.49Å; F364-E422 PolarHBondContact O-N 2.87Å; F364-I1311 HydrophobicContact CD1-CD1 4.41Å; F364-I1311 HydrophobicContact CE1-CD1 4.06Å; F364-F1315 HydrophobicContact CB-CE1 3.94Å; F364-F1315 HydrophobicContact CB-CE2 4.47Å; F364-F1315 HydrophobicContact CB-CZ 3.67Å; F364-F1315 HydrophobicContact CD1-CE1 4.16Å; F364-Y1318 CarbonylContact C-O 3.53Å; F364-Y1318 WeakPolarHBondContact CA-O 3.5Å; F364-V1319 HydrophobicContact CD1-CB 4.46Å; F364-V1319 HydrophobicContact CD1-CG1 4.33Å; F364-V1319 HydrophobicContact CD1-CG2 3.94Å; F364-V1319 HydrophobicContact CE1-CB 4.46Å; F364-V1319 HydrophobicContact CE1-CG1 4.11Å; F364-V1319 HydrophobicContact CE1-CG2 3.73Å
365C93.3Very high88.7Confident8 Ų828.1 Ų28.15%0.05416%0.155CC..EExtended strand (participates in β ladder)trans-142.7147.6175.558.40000112.8E422 G1317 Y1318 Y1320C365-E422 CarbonylContact C-O 3.55Å; C365-E422 VanDerWaalsContact CA-O 3.28Å; C365-E422 WeakPolarHBondContact CA-O 3.47Å; C365-E422 HydrophobicContact CB-CB 3.97Å; C365-G1317 CarbonylContact O-C 3.6Å; C365-G1317 WeakPolarHBondContact O-CA 3.29Å; C365-Y1318 PolarHBondContact N-O 2.98Å; C365-Y1318 PolarHBondContact O-N 3.29Å; C365-Y1320 HydrophobicContact CB-CD2 4.29Å; C365-Y1320 HydrophobicContact CB-CE2 3.69Å
366Q90.8Very high87.8Confident25 Ų2531.3 Ų31.312%0.11717%0.172CC..EExtended strand (participates in β ladder)trans-137.6136.9174.956.7-175-600111.1L368 H384 E422 D423 I424 F1315Q366-L368 HydrophobicContact CG-CD1 4.44Å; Q366-L368 HydrophobicContact CG-CD2 4.08Å; Q366-L368 HydrophobicContact CG-CG 4.1Å; Q366-H384 PolarHBondContact NE2-NE2 3.27Å; Q366-E422 PolarHBondContact N-O 3.08Å; Q366-D423 PolarHBondContact NE2-OD1 2.98Å; Q366-I424 PolarHBondContact O-N 2.88Å; Q366-F1315 HydrophobicContact CB-CE2 4.03Å; Q366-F1315 HydrophobicContact CB-CZ 4.16Å; Q366-F1315 HydrophobicContact CG-CE2 3.83Å; Q366-F1315 HydrophobicContact CG-CZ 4.39Å
367E89.9Confident86.8Confident66 Ų6632.3 Ų32.331%0.30818%0.176SC..EExtended strand (participates in β ladder)trans-82.1122.8166.9-73.9-170.7-145.500108.9L426 R1179E367-L426 HydrophobicContact CB-CD1 4.18Å; E367-L426 VanDerWaalsContact CD-CD1 3.49Å; E367-L426 HydrophobicContact CG-CD1 3.67Å; E367-L426 WeakPolarHBondContact OE2-CD1 3.35Å; E367-R1179 WeakPolarHBondContact OE2-CD 3.43Å; E367-R1179 IonicContact OE2-CZ 3.15Å; E367-R1179 IonicContact OE2-NH1 3.16Å; E367-R1179 PolarHBondContact OE2-NH1 3.34Å
368L88.4Confident85.6Confident37 Ų3731.9 Ų31.919%0.19418%0.176CC..EExtended strand (participates in β ladder)trans-114.8151.2177.2-60.2-177.5000110.4Q366 N372 D423 I424 F425 L426Q366-L368 HydrophobicContact CG-CD1 4.44Å; Q366-L368 HydrophobicContact CG-CD2 4.08Å; Q366-L368 HydrophobicContact CG-CG 4.1Å; L368-N372 HydrophobicContact CB-CB 4.08Å; L368-N372 HydrophobicContact CD1-CB 4.47Å; L368-D423 HydrophobicContact CD1-CB 4.06Å; L368-I424 PolarHBondContact N-O 3.14Å; L368-F425 HydrophobicContact CB-CD1 3.94Å; L368-F425 HydrophobicContact CB-CE1 4.01Å; L368-F425 HydrophobicContact CD1-CD1 4.46Å; L368-F425 HydrophobicContact CD1-CE1 3.73Å; L368-F425 HydrophobicContact CD1-CZ 3.85Å; L368-L426 PolarHBondContact O-N 2.88Å
369S86.3Confident84.2Confident43 Ų4332.8 Ų32.830%0.30119%0.186SC..EExtended strand (participates in β ladder)trans-69.1150.4173.9950000110.4V371 N372S369-V371 PolarHBondContact O-N 2.87Å; S369-V371 VanDerWaalsContact O-N 3.08Å; S369-V371 PolarHBondContact OG-N 2.88Å; S369-N372 WeakPolarHBondContact CB-OD1 3.22Å; S369-N372 VanDerWaalsContact O-CB 3.23Å; S369-N372 WeakPolarHBondContact O-CB 3.45Å; S369-N372 PolarHBondContact O-N 3.04Å; S369-N372 PolarHBondContact O-OD1 2.76Å; S369-N372 PolarHBondContact OG-OD1 2.91Å
370L85.5Confident82.3Confident22 Ų2237.3 Ų37.312%0.11522%0.217CC..G310 helixtrans-57.6-23.8176.7-154.363.7000113.3N372 L373 F425 L426 P427 I1559L370-N372 VanDerWaalsContact C-N 3.28Å; L370-N372 PolarHBondContact O-N 3.44Å; L370-L373 HydrophobicContact CD1-CD1 3.63Å; L370-L373 HydrophobicContact CD1-CG 4.46Å; L370-L373 HydrophobicContact CG-CD1 4.17Å; L370-L373 WeakPolarHBondContact O-CB 3.19Å; L370-L373 PolarHBondContact O-N 2.78Å; L370-F425 HydrophobicContact CD1-CB 4.31Å; L370-L426 PolarHBondContact N-O 2.78Å; L370-P427 HydrophobicContact CD2-CB 4.31Å; L370-I1559 HydrophobicContact CG-CG1 4.23Å
371V83.1Confident80.4Confident105 Ų10542.9 Ų42.964%0.63625%0.251SS*.G310 helixtrans-65.8-31.1173.6-173.50000111.5S369 L373 L374S369-V371 PolarHBondContact O-N 2.87Å; S369-V371 VanDerWaalsContact O-N 3.08Å; S369-V371 PolarHBondContact OG-N 2.88Å; V371-L373 PolarHBondContact O-N 3.11Å; V371-L373 VanDerWaalsContact O-N 3.16Å; V371-L374 WeakPolarHBondContact O-CB 3.36Å; V371-L374 PolarHBondContact O-N 2.88Å; V371-L374 VanDerWaalsContact O-N 3.12Å
372N85.8Confident78.9Confident65 Ų6545.2 Ų45.235%0.34827%0.266SS..G310 helixtrans-66-15.4178.8-59.543.7000112.4L368 S369 L370 L374 A375 F425L368-N372 HydrophobicContact CB-CB 4.08Å; L368-N372 HydrophobicContact CD1-CB 4.47Å; S369-N372 WeakPolarHBondContact CB-OD1 3.22Å; S369-N372 VanDerWaalsContact O-CB 3.23Å; S369-N372 WeakPolarHBondContact O-CB 3.45Å; S369-N372 PolarHBondContact O-N 3.04Å; S369-N372 PolarHBondContact O-OD1 2.76Å; S369-N372 PolarHBondContact OG-OD1 2.91Å; L370-N372 VanDerWaalsContact C-N 3.28Å; L370-N372 PolarHBondContact O-N 3.44Å; N372-L374 PolarHBondContact O-N 3.12Å; N372-A375 VanDerWaalsContact O-CB 3.27Å; N372-A375 WeakPolarHBondContact O-CB 3.35Å; N372-A375 PolarHBondContact O-N 3.06Å; N372-A375 VanDerWaalsContact O-N 3.14Å; N372-F425 HydrophobicContact CB-CD1 4.21Å; N372-F425 HydrophobicContact CB-CE1 3.88Å
373L85.5Confident77.7Confident1 Ų145.5 Ų45.51%0.00527%0.269CS..G310 helixtrans-57.3-34.9171.6-76.7176.3000112.1L370 V371 A375 F425 L1555 F1558 I1559 V1566 R1568L370-L373 HydrophobicContact CD1-CD1 3.63Å; L370-L373 HydrophobicContact CD1-CG 4.46Å; L370-L373 HydrophobicContact CG-CD1 4.17Å; L370-L373 WeakPolarHBondContact O-CB 3.19Å; L370-L373 PolarHBondContact O-N 2.78Å; V371-L373 PolarHBondContact O-N 3.11Å; V371-L373 VanDerWaalsContact O-N 3.16Å; L373-A375 VanDerWaalsContact C-N 3.3Å; L373-F425 HydrophobicContact CB-CD1 4.45Å; L373-F425 HydrophobicContact CD1-CB 4.44Å; L373-F425 HydrophobicContact CD2-CB 3.89Å; L373-F425 HydrophobicContact CD2-CD1 3.57Å; L373-F425 HydrophobicContact CD2-CD2 3.65Å; L373-F425 HydrophobicContact CD2-CE1 3.95Å; L373-F425 HydrophobicContact CD2-CE2 4.04Å; L373-F425 HydrophobicContact CD2-CG 3.4Å; L373-F425 VanDerWaalsContact CD2-CG 3.4Å; L373-F425 HydrophobicContact CD2-CZ 4.17Å; L373-F425 HydrophobicContact CG-CB 3.98Å; L373-F425 HydrophobicContact CG-CD1 3.65Å; L373-F425 HydrophobicContact CG-CE1 4.26Å; L373-F425 HydrophobicContact CG-CG 3.8Å; L373-L1555 HydrophobicContact CB-CD2 4.39Å; L373-L1555 VanDerWaalsContact O-CD1 3.31Å; L373-L1555 WeakPolarHBondContact O-CD1 3.27Å; L373-F1558 HydrophobicContact CD1-CB 3.98Å; L373-I1559 HydrophobicContact CD1-CG1 4.28Å; L373-V1566 HydrophobicContact CD2-CB 4.29Å; L373-V1566 HydrophobicContact CD2-CG1 3.97Å; L373-R1568 PolarHBondContact O-NH1 2.8Å; L373-R1568 PolarHBondContact O-NH2 3.36Å; L373-R1568 VanDerWaalsContact O-NH2 3.12Å
374L83.6Confident77.4Confident80 Ų8046 Ų4642%0.41927%0.271SS..G310 helixtrans-81.3-3.1-179.1-58.5175.5000113.6V371 N372 L1555 I1559V371-L374 WeakPolarHBondContact O-CB 3.36Å; V371-L374 PolarHBondContact O-N 2.88Å; V371-L374 VanDerWaalsContact O-N 3.12Å; N372-L374 PolarHBondContact O-N 3.12Å; L374-L1555 HydrophobicContact CD2-CB 4.1Å; L374-L1555 HydrophobicContact CD2-CD1 4.04Å; L374-I1559 HydrophobicContact CD1-CD1 3.92Å; L374-I1559 HydrophobicContact CD2-CD1 3.71Å; L374-I1559 HydrophobicContact CG-CD1 3.76Å
375A79.1Confident77.1Confident44 Ų4449.7 Ų49.736%0.36429%0.288SS..SBendtrans-63139.3179.100000111.1N372 L373 Y377N372-A375 VanDerWaalsContact O-CB 3.27Å; N372-A375 WeakPolarHBondContact O-CB 3.35Å; N372-A375 PolarHBondContact O-N 3.06Å; N372-A375 VanDerWaalsContact O-N 3.14Å; L373-A375 VanDerWaalsContact C-N 3.3Å; A375-Y377 PolarHBondContact O-N 2.81Å
376I72Confident76.6Confident84 Ų8452.3 Ų52.343%0.43131%0.307SS..PPolyproline II helixtrans-68.8126.1174.5-58.4166.7000108.1D378 K1534 I1537I376-D378 PolarHBondContact O-N 2.78Å; I376-K1534 HydrophobicContact CG2-CG 4.25Å; I376-I1537 HydrophobicContact CB-CD1 4.23Å; I376-I1537 HydrophobicContact CD1-CD1 3.75Å; I376-I1537 HydrophobicContact CG1-CD1 3.68Å; I376-I1537 HydrophobicContact CG2-CD1 3.53Å
377Y68.6Low76.5Confident25 Ų2551.5 Ų51.510%0.09830%0.303CS..BIsolated β-bridgetrans-68.5126.2175.4-177.4-95.5000110.9A375 S379 G383 Y1525 L1532A375-Y377 PolarHBondContact O-N 2.81Å; Y377-S379 PolarHBondContact OH-OG 2.84Å; Y377-G383 WeakPolarHBondContact OH-CA 3.43Å; Y377-Y1525 HydrophobicContact CD1-CD1 4.3Å; Y377-Y1525 HydrophobicContact CD1-CE1 4.3Å; Y377-Y1525 HydrophobicContact CD2-CE1 4.08Å; Y377-Y1525 AromaticContact CE1-CD1 3.95Å; Y377-Y1525 HydrophobicContact CE1-CD1 3.95Å; Y377-Y1525 AromaticContact CE1-CE1 3.83Å; Y377-Y1525 HydrophobicContact CE1-CE1 3.83Å; Y377-Y1525 HydrophobicContact CE2-CD1 4.48Å; Y377-Y1525 AromaticContact CE2-CE1 3.6Å; Y377-Y1525 HydrophobicContact CE2-CE1 3.6Å; Y377-Y1525 HydrophobicContact CG-CE1 4.42Å; Y377-Y1525 AromaticContact CZ-CE1 3.46Å; Y377-Y1525 VanDerWaalsContact CZ-CE1 3.46Å; Y377-L1532 PolarHBondContact N-O 3.5Å
378D61.4Low76.6Confident25 Ų2548.5 Ų48.513%0.13429%0.29CS..  trans-138.8106.4179.8-174.4-0.4000110.3I376 S380 V381 V382 G383 K1534I376-D378 PolarHBondContact O-N 2.78Å; D378-S380 PolarHBondContact O-N 2.87Å; D378-S380 PolarHBondContact OD1-N 2.83Å; D378-S380 PolarHBondContact OD1-OG 3.49Å; D378-S380 PolarHBondContact OD2-OG 3.22Å; D378-V381 HydrophobicContact CB-CB 4.19Å; D378-V381 PolarHBondContact O-N 3.28Å; D378-V381 WeakPolarHBondContact OD2-CG2 3.45Å; D378-V382 HydrophobicContact CB-CG2 4.42Å; D378-V382 WeakPolarHBondContact O-CA 3.36Å; D378-V382 PolarHBondContact O-N 2.99Å; D378-G383 PolarHBondContact O-N 2.64Å; D378-K1534 IonicContact OD1-NZ 3.38Å; D378-K1534 PolarHBondContact OD1-NZ 2.8Å; D378-K1534 WeakPolarHBondContact OD2-CE 3.42Å; D378-K1534 IonicContact OD2-NZ 3.72Å; D378-K1534 PolarHBondContact OD2-NZ 3.19Å
379S60.8Low76.7Confident43 Ų4350.5 Ų50.530%0.30130%0.301SS..THydrogen-bonded Turntrans-56.8-16.6176.1-1070000113.8Y377 E385Y377-S379 PolarHBondContact OH-OG 2.84Å; S379-E385 PolarHBondContact OG-OE2 2.83Å
380S51Low76.8Confident95 Ų9552.4 Ų52.466%0.66431%0.307SS*.THydrogen-bonded Turntrans-96.9-3.917960.60000115.5D378D378-S380 PolarHBondContact O-N 2.87Å; D378-S380 PolarHBondContact OD1-N 2.83Å; D378-S380 PolarHBondContact OD1-OG 3.49Å; D378-S380 PolarHBondContact OD2-OG 3.22Å
381V51.7Low77.2Confident117 Ų11751.3 Ų51.371%0.70930%0.302SS*.THydrogen-bonded Turntrans-139-32.4-177.9-179.30000113.1D378D378-V381 HydrophobicContact CB-CB 4.19Å; D378-V381 PolarHBondContact O-N 3.28Å; D378-V381 WeakPolarHBondContact OD2-CG2 3.45Å
382V60Low77.6Confident62 Ų6247.9 Ų47.938%0.37628%0.278SS..THydrogen-bonded Turntrans-120.6-23.1-174.2-174.90000112.1D378D378-V382 HydrophobicContact CB-CG2 4.42Å; D378-V382 WeakPolarHBondContact O-CA 3.36Å; D378-V382 PolarHBondContact O-N 2.99Å
383G68.1Low77.8Confident6 Ų651.5 Ų51.56%0.06229%0.292CS..  trans-75.1134.7-177.400000113.9Y377 D378 E385Y377-G383 WeakPolarHBondContact OH-CA 3.43Å; D378-G383 PolarHBondContact O-N 2.64Å; G383-E385 PolarHBondContact O-N 3.37Å; G383-E385 VanDerWaalsContact O-N 3.12Å
384H87.5Confident78.2Confident10 Ų1052 Ų525%0.04630%0.296CS..Hα-helixtrans-77.211.3175.8-43.3111.5000113.5Q366 L387 A388 F421 D423 D1570Q366-H384 PolarHBondContact NE2-NE2 3.27Å; H384-L387 HydrophobicContact CB-CB 4.35Å; H384-L387 HydrophobicContact CB-CD2 4.37Å; H384-L387 PolarHBondContact O-N 2.96Å; H384-A388 WeakPolarHBondContact O-CB 3.41Å; H384-A388 PolarHBondContact O-N 3.01Å; H384-F421 HydrophobicContact CB-CB 4.5Å; H384-F421 HydrophobicContact CB-CD1 4.11Å; H384-F421 HydrophobicContact CB-CD2 3.38Å; H384-F421 HydrophobicContact CB-CE1 4.24Å; H384-F421 HydrophobicContact CB-CE2 3.51Å; H384-F421 HydrophobicContact CB-CG 3.72Å; H384-F421 HydrophobicContact CB-CZ 3.96Å; H384-F421 AromaticContact CD2-CD1 3.92Å; H384-F421 AromaticContact CD2-CG 3.97Å; H384-F421 AromaticContact CG-CD1 3.91Å; H384-F421 AromaticContact CG-CD2 3.73Å; H384-F421 AromaticContact CG-CG 3.55Å; H384-F421 AromaticContact ND1-CG 3.74Å; H384-D423 IonicContact CE1-OD1 2.76Å; H384-D423 PolarHBondContact CE1-OD1 2.76Å; H384-D423 VanDerWaalsContact CE1-OD1 3.32Å; H384-D423 IonicContact CE1-OD2 3.82Å; H384-D423 IonicContact NE2-OD1 3.59Å; H384-D1570 WeakPolarHBondContact CB-OD2 3.44Å; H384-D1570 IonicContact CG-OD2 2.69Å; H384-D1570 IonicContact ND1-OD2 2.76Å; H384-D1570 PolarHBondContact ND1-OD2 2.98Å
385E86.2Confident78.6Confident80 Ų8052.3 Ų52.337%0.37430%0.301SS..Hα-helixtrans-67.6-42.6179.8-173.6178-170.300112.2S379 G383 N389 H1572S379-E385 PolarHBondContact OG-OE2 2.83Å; G383-E385 PolarHBondContact O-N 3.37Å; G383-E385 VanDerWaalsContact O-N 3.12Å; E385-N389 PolarHBondContact O-N 2.95Å; E385-N389 PolarHBondContact O-ND2 3.07Å; E385-H1572 VanDerWaalsContact CA-CE1 3.49Å; E385-H1572 WeakPolarHBondContact CA-CE1 3.26Å
386S84.2Confident79.2Confident63 Ų6350.4 Ų50.444%0.44128%0.284SS..Hα-helixtrans-61.9-52.9169.746.70000110.3A388 N389 D390S386-A388 VanDerWaalsContact C-N 3.33Å; S386-A388 PolarHBondContact O-N 3.21Å; S386-N389 CarbonylContact O-C 3.59Å; S386-N389 WeakPolarHBondContact O-CA 3.5Å; S386-N389 WeakPolarHBondContact O-CB 3.44Å; S386-N389 PolarHBondContact O-N 2.79Å; S386-D390 VanDerWaalsContact O-CG 3.3Å; S386-D390 PolarHBondContact O-N 3.03Å
387L88.7Confident80.2Confident9 Ų946.4 Ų46.45%0.04726%0.264CS..Hα-helixtrans-55.8-41.4-179.3-179.357.7000113.6H384 N389 D390 V391 F421 I1311 F1315H384-L387 HydrophobicContact CB-CB 4.35Å; H384-L387 HydrophobicContact CB-CD2 4.37Å; H384-L387 PolarHBondContact O-N 2.96Å; L387-N389 VanDerWaalsContact C-N 3.34Å; L387-D390 PolarHBondContact O-N 3.07Å; L387-V391 HydrophobicContact CD1-CG2 4.32Å; L387-V391 WeakPolarHBondContact O-CB 3.22Å; L387-V391 VanDerWaalsContact O-CG2 3.28Å; L387-V391 WeakPolarHBondContact O-CG2 3.36Å; L387-V391 PolarHBondContact O-N 2.98Å; L387-F421 HydrophobicContact CB-CZ 4.34Å; L387-F421 HydrophobicContact CD2-CD1 3.98Å; L387-F421 HydrophobicContact CD2-CE1 3.31Å; L387-F421 HydrophobicContact CD2-CZ 3.85Å; L387-F421 HydrophobicContact CG-CE1 3.66Å; L387-F421 HydrophobicContact CG-CZ 3.72Å; L387-I1311 HydrophobicContact CD1-CB 3.49Å; L387-I1311 VanDerWaalsContact CD1-CB 3.49Å; L387-I1311 HydrophobicContact CD1-CD1 4.15Å; L387-I1311 HydrophobicContact CD1-CG1 4.36Å; L387-I1311 HydrophobicContact CD1-CG2 3.32Å; L387-F1315 HydrophobicContact CD2-CB 3.69Å; L387-F1315 HydrophobicContact CD2-CD2 3.77Å; L387-F1315 HydrophobicContact CD2-CG 3.79Å
388A91.4Very high81.3Confident3 Ų350 Ų503%0.02528%0.282CS..Hα-helixtrans-65.8-36.6174.900000111.9H384 S386 R392 I419 F421 H1572H384-A388 WeakPolarHBondContact O-CB 3.41Å; H384-A388 PolarHBondContact O-N 3.01Å; S386-A388 VanDerWaalsContact C-N 3.33Å; S386-A388 PolarHBondContact O-N 3.21Å; A388-R392 WeakPolarHBondContact O-CB 3.38Å; A388-R392 PolarHBondContact O-N 3.47Å; A388-I419 HydrophobicContact CB-CD1 4.34Å; A388-I419 VanDerWaalsContact O-CD1 3.24Å; A388-I419 WeakPolarHBondContact O-CD1 3.42Å; A388-F421 HydrophobicContact CB-CE2 4.06Å; A388-F421 HydrophobicContact CB-CZ 4.46Å; A388-H1572 HydrophobicContact CB-CB 3.77Å
389N89.6Confident82.5Confident78 Ų7853.4 Ų53.442%0.41730%0.3SS..Hα-helixtrans-73.2-38.3175.3-77.7-60.7000112.1E385 S386 L387 R392 Q393E385-N389 PolarHBondContact O-N 2.95Å; E385-N389 PolarHBondContact O-ND2 3.07Å; S386-N389 CarbonylContact O-C 3.59Å; S386-N389 WeakPolarHBondContact O-CA 3.5Å; S386-N389 WeakPolarHBondContact O-CB 3.44Å; S386-N389 PolarHBondContact O-N 2.79Å; L387-N389 VanDerWaalsContact C-N 3.34Å; N389-R392 PolarHBondContact O-N 2.72Å; N389-Q393 WeakPolarHBondContact O-CB 3.4Å; N389-Q393 VanDerWaalsContact O-CG 3.29Å; N389-Q393 WeakPolarHBondContact O-CG 3.25Å; N389-Q393 PolarHBondContact O-N 2.88Å; N389-Q393 PolarHBondContact O-NE2 2.84Å
390D90.2Very high83.8Confident83 Ų8352.1 Ų52.144%0.44429%0.289SS..Hα-helixtrans-65.8-49.1176.4-63.9-27.4000110.5S386 L387 R392 Q393 S394S386-D390 VanDerWaalsContact O-CG 3.3Å; S386-D390 PolarHBondContact O-N 3.03Å; L387-D390 PolarHBondContact O-N 3.07Å; D390-R392 VanDerWaalsContact C-N 3.34Å; D390-R392 PolarHBondContact O-N 2.73Å; D390-Q393 PolarHBondContact O-N 3.27Å; D390-S394 WeakPolarHBondContact O-CB 3.39Å; D390-S394 PolarHBondContact O-N 2.88Å
391V92Very high85.3Confident0 Ų050.2 Ų50.20%028%0.275CS..Hα-helixtrans-57.2-47171.7170.20000110.2F364 L387 Q393 S394 F397 I419 V1307 I1311F364-V391 HydrophobicContact CE1-CG2 4.49Å; F364-V391 HydrophobicContact CE2-CG1 4.17Å; F364-V391 HydrophobicContact CE2-CG2 4.34Å; F364-V391 HydrophobicContact CZ-CG1 3.95Å; F364-V391 HydrophobicContact CZ-CG2 3.84Å; L387-V391 HydrophobicContact CD1-CG2 4.32Å; L387-V391 WeakPolarHBondContact O-CB 3.22Å; L387-V391 VanDerWaalsContact O-CG2 3.28Å; L387-V391 WeakPolarHBondContact O-CG2 3.36Å; L387-V391 PolarHBondContact O-N 2.98Å; V391-Q393 VanDerWaalsContact C-N 3.32Å; V391-Q393 PolarHBondContact O-N 2.99Å; V391-S394 WeakPolarHBondContact O-CB 3.25Å; V391-S394 PolarHBondContact O-N 3.34Å; V391-S394 VanDerWaalsContact O-N 3.15Å; V391-S394 PolarHBondContact O-OG 2.82Å; V391-F397 HydrophobicContact CG1-CB 4.35Å; V391-F397 HydrophobicContact CG1-CD2 4.32Å; V391-F397 HydrophobicContact CG1-CG 4.35Å; V391-F397 WeakPolarHBondContact O-CB 3.36Å; V391-I419 HydrophobicContact CB-CD1 4.27Å; V391-I419 HydrophobicContact CG1-CD1 3.98Å; V391-V1307 HydrophobicContact CG2-CG1 4.26Å; V391-I1311 HydrophobicContact CG2-CG2 4.45Å
392R91.6Very high86.8Confident33 Ų3348.9 Ų48.913%0.12527%0.267CS..Hα-helixtrans-63.6-32.3179.9172156.9-91.21165.3113.9A388 N389 D390 F397 Q398 V414 L417 I419 N1574A388-R392 WeakPolarHBondContact O-CB 3.38Å; A388-R392 PolarHBondContact O-N 3.47Å; N389-R392 PolarHBondContact O-N 2.72Å; D390-R392 VanDerWaalsContact C-N 3.34Å; D390-R392 PolarHBondContact O-N 2.73Å; R392-F397 HydrophobicContact CB-CD1 4.38Å; R392-Q398 PolarHBondContact O-NE2 3.34Å; R392-V414 PolarHBondContact NH2-O 3.34Å; R392-L417 PolarHBondContact NH2-O 3.26Å; R392-I419 HydrophobicContact CB-CD1 4.09Å; R392-N1574 PolarHBondContact NE-ND2 3Å
393Q91.4Very high88.2Confident140 Ų14046.1 Ų46.165%0.65425%0.25SS*.Hα-helixtrans-82.8-19.4176.1-73.7169.381.700112.9N389 D390 V391N389-Q393 WeakPolarHBondContact O-CB 3.4Å; N389-Q393 VanDerWaalsContact O-CG 3.29Å; N389-Q393 WeakPolarHBondContact O-CG 3.25Å; N389-Q393 PolarHBondContact O-N 2.88Å; N389-Q393 PolarHBondContact O-NE2 2.84Å; D390-Q393 PolarHBondContact O-N 3.27Å; V391-Q393 VanDerWaalsContact C-N 3.32Å; V391-Q393 PolarHBondContact O-N 2.99Å
394S93.4Very high89.2Confident11 Ų1146.9 Ų46.98%0.07725%0.254CS..SBendtrans-63.4143.8-176.175.60000114.1D390 V391 Y396 F397 Q398 V1307D390-S394 WeakPolarHBondContact O-CB 3.39Å; D390-S394 PolarHBondContact O-N 2.88Å; V391-S394 WeakPolarHBondContact O-CB 3.25Å; V391-S394 PolarHBondContact O-N 3.34Å; V391-S394 VanDerWaalsContact O-N 3.15Å; V391-S394 PolarHBondContact O-OG 2.82Å; S394-Y396 PolarHBondContact O-N 2.57Å; S394-F397 PolarHBondContact O-N 3.27Å; S394-F397 PolarHBondContact OG-N 2.91Å; S394-Q398 WeakPolarHBondContact O-CG 3.3Å; S394-Q398 PolarHBondContact O-N 3.1Å; S394-V1307 VanDerWaalsContact CB-CG2 3.44Å
395V92.8Very high89.4Confident88 Ų8846.5 Ų46.553%0.53325%0.252SS..Hα-helixtrans-59.9-29.8176.5-177.20000111.7N399 L1303V395-N399 WeakPolarHBondContact CG1-ND2 3.36Å; V395-N399 WeakPolarHBondContact O-CB 3.28Å; V395-N399 PolarHBondContact O-N 3.2Å; V395-N399 PolarHBondContact O-ND2 3.2Å; V395-L1303 HydrophobicContact CB-CD2 3.95Å; V395-L1303 HydrophobicContact CG1-CD1 3.95Å; V395-L1303 HydrophobicContact CG1-CD2 3.75Å
396Y91.8Very high89.7Confident3 Ų343.7 Ų43.71%0.01224%0.241CC..Hα-helixtrans-55.1-55.3168.8159.6-108.4000112.7E361 S394 N399 L400 F1300 K1304 V1307E361-Y396 PolarHBondContact O-OH 2.92Å; E361-Y396 PolarHBondContact OE2-OH 3.19Å; S394-Y396 PolarHBondContact O-N 2.57Å; Y396-N399 CarbonylContact O-C 3.51Å; Y396-N399 PolarHBondContact O-N 3.2Å; Y396-L400 PolarHBondContact O-N 3.48Å; Y396-F1300 HydrophobicContact CD2-CD2 4.08Å; Y396-F1300 AromaticContact CD2-CE2 3.37Å; Y396-F1300 HydrophobicContact CD2-CE2 3.37Å; Y396-F1300 AromaticContact CD2-CZ 3.81Å; Y396-F1300 HydrophobicContact CD2-CZ 3.81Å; Y396-F1300 HydrophobicContact CE2-CD2 4.45Å; Y396-F1300 HydrophobicContact CE2-CE1 4.29Å; Y396-F1300 AromaticContact CE2-CE2 3.44Å; Y396-F1300 HydrophobicContact CE2-CE2 3.44Å; Y396-F1300 VanDerWaalsContact CE2-CE2 3.44Å; Y396-F1300 AromaticContact CE2-CZ 3.35Å; Y396-F1300 HydrophobicContact CE2-CZ 3.35Å; Y396-F1300 HydrophobicContact CG-CE2 4.42Å; Y396-K1304 VanDerWaalsContact CD2-CA 3.42Å; Y396-K1304 HydrophobicContact CD2-CB 3.61Å; Y396-K1304 HydrophobicContact CD2-CG 4.13Å; Y396-K1304 HydrophobicContact CE2-CB 3.48Å; Y396-K1304 VanDerWaalsContact CE2-CB 3.48Å; Y396-K1304 HydrophobicContact CE2-CD 3.97Å; Y396-K1304 HydrophobicContact CE2-CG 3.5Å; Y396-K1304 VanDerWaalsContact CE2-CG 3.5Å; Y396-V1307 HydrophobicContact CD1-CB 4.28Å; Y396-V1307 HydrophobicContact CD1-CG1 4.28Å; Y396-V1307 HydrophobicContact CD1-CG2 4.21Å; Y396-V1307 HydrophobicContact CG-CB 4.46Å; Y396-V1307 HydrophobicContact CG-CG2 4.19Å
397F91.8Very high90.1Very high0 Ų040.8 Ų40.80%022%0.22CC..Hα-helixtrans-74.9-29.3-175.7-169.8-107.6000112.3A362 V391 R392 S394 N399 L400 V414 L417 I419A362-F397 HydrophobicContact CB-CD2 4.32Å; A362-F397 HydrophobicContact CB-CE2 3.63Å; A362-F397 HydrophobicContact CB-CZ 4.49Å; V391-F397 HydrophobicContact CG1-CB 4.35Å; V391-F397 HydrophobicContact CG1-CD2 4.32Å; V391-F397 HydrophobicContact CG1-CG 4.35Å; V391-F397 WeakPolarHBondContact O-CB 3.36Å; R392-F397 HydrophobicContact CB-CD1 4.38Å; S394-F397 PolarHBondContact O-N 3.27Å; S394-F397 PolarHBondContact OG-N 2.91Å; F397-N399 VanDerWaalsContact C-N 3.29Å; F397-L400 HydrophobicContact CD2-CD1 3.66Å; F397-L400 HydrophobicContact CD2-CD2 4.45Å; F397-L400 HydrophobicContact CD2-CG 4.05Å; F397-L400 HydrophobicContact CE2-CD1 3.52Å; F397-L400 HydrophobicContact CE2-CG 4.41Å; F397-L400 HydrophobicContact CG-CD1 4.46Å; F397-L400 HydrophobicContact CZ-CD1 4.26Å; F397-L400 WeakPolarHBondContact O-CG 3.42Å; F397-V414 HydrophobicContact CD1-CG1 3.67Å; F397-V414 HydrophobicContact CE1-CB 4.37Å; F397-V414 HydrophobicContact CE1-CG1 3.68Å; F397-V414 WeakPolarHBondContact O-CG2 3.42Å; F397-L417 HydrophobicContact CE2-CD2 4.02Å; F397-L417 HydrophobicContact CZ-CB 4.45Å; F397-L417 HydrophobicContact CZ-CD2 4.2Å; F397-I419 HydrophobicContact CZ-CG1 4.37Å
398Q90.9Very high90.2Very high102 Ų10245.3 Ų45.348%0.47724%0.237SC..Hα-helixtrans-66.6-30.6171.1-63.1-64.6-34.400112.3R392 S394R392-Q398 PolarHBondContact O-NE2 3.34Å; S394-Q398 WeakPolarHBondContact O-CG 3.3Å; S394-Q398 PolarHBondContact O-N 3.1Å
399N88.6Confident90Very high95 Ų9548.6 Ų48.651%0.50825%0.252SS..THydrogen-bonded Turntrans-106.935178.6-65.2-80.1000113.2V395 Y396 F397 F1300 L1303V395-N399 WeakPolarHBondContact CG1-ND2 3.36Å; V395-N399 WeakPolarHBondContact O-CB 3.28Å; V395-N399 PolarHBondContact O-N 3.2Å; V395-N399 PolarHBondContact O-ND2 3.2Å; Y396-N399 CarbonylContact O-C 3.51Å; Y396-N399 PolarHBondContact O-N 3.2Å; F397-N399 VanDerWaalsContact C-N 3.29Å; N399-F1300 WeakPolarHBondContact O-CD2 3.14Å; N399-L1303 HydrophobicContact CB-CD1 4.43Å
400L87.7Confident89.9Confident17 Ų1745.1 Ų45.19%0.08923%0.233CC..PPolyproline II helixtrans-54.8132.2171-83177.6000111.1E361 Y396 F397 T402 L417 F1300E361-L400 HydrophobicContact CB-CD2 3.56Å; E361-L400 HydrophobicContact CG-CD2 4.08Å; Y396-L400 PolarHBondContact O-N 3.48Å; F397-L400 HydrophobicContact CD2-CD1 3.66Å; F397-L400 HydrophobicContact CD2-CD2 4.45Å; F397-L400 HydrophobicContact CD2-CG 4.05Å; F397-L400 HydrophobicContact CE2-CD1 3.52Å; F397-L400 HydrophobicContact CE2-CG 4.41Å; F397-L400 HydrophobicContact CG-CD1 4.46Å; F397-L400 HydrophobicContact CZ-CD1 4.26Å; F397-L400 WeakPolarHBondContact O-CG 3.42Å; L400-T402 PolarHBondContact O-N 3.12Å; L400-L417 HydrophobicContact CD1-CD2 3.82Å; L400-F1300 HydrophobicContact CD2-CE2 4.11Å; L400-F1300 HydrophobicContact CD2-CZ 4.06Å
401P82.8Confident89.9Confident55 Ų5541.6 Ų41.636%0.35721%0.214SC..PPolyproline II helixtrans-52.1136.6177.4-29.735.2000112.8R358 F1300R358-P401 WeakPolarHBondContact CD-O 3.3Å; R358-P401 PolarHBondContact NE-O 3.01Å; P401-F1300 VanDerWaalsContact CD-CE2 3.48Å; P401-F1300 VanDerWaalsContact CD-CZ 3.44Å; P401-F1300 HydrophobicContact CG-CD1 3.69Å; P401-F1300 HydrophobicContact CG-CD2 4.26Å; P401-F1300 HydrophobicContact CG-CE1 3.75Å; P401-F1300 HydrophobicContact CG-CE2 4.33Å; P401-F1300 HydrophobicContact CG-CG 3.96Å; P401-F1300 HydrophobicContact CG-CZ 4.08Å
402T82.7Confident89.7Confident89 Ų8941.8 Ų41.855%0.54622%0.216SC..PPolyproline II helixtrans-75.1142.5170.349.50000109.8L400L400-T402 PolarHBondContact O-N 3.12Å
403L89.2Confident89.5Confident4 Ų442.3 Ų42.32%0.02122%0.221CC..PPolyproline II helixtrans-73.9152.6165.1-55.9176.8000108.6H168 I354 R355 R358 V405 T406 D411H168-L403 PolarHBondContact CD2-O 2.95Å; I354-L403 HydrophobicContact CG2-CD2 3.88Å; R355-L403 HydrophobicContact CB-CD1 4.23Å; R355-L403 HydrophobicContact CG-CD1 3.92Å; R358-L403 HydrophobicContact CB-CD2 3.99Å; R358-L403 VanDerWaalsContact CD-CD2 3.48Å; R358-L403 HydrophobicContact CG-CD2 4.38Å; L403-V405 VanDerWaalsContact CB-O 3.27Å; L403-V405 WeakPolarHBondContact CB-O 3.38Å; L403-V405 PolarHBondContact O-N 3.02Å; L403-V405 VanDerWaalsContact O-N 3.09Å; L403-T406 HydrophobicContact CB-CG2 3.65Å; L403-T406 HydrophobicContact CG-CG2 4.16Å; L403-D411 HydrophobicContact CD1-CB 4.05Å
404P88.9Confident89.2Confident21 Ų2137 Ų3714%0.13620%0.199CC..SBendtrans-56.9-28.1176.7-23.632.9000113.3H168 L175 Y177H168-P404 PolarHBondContact N-O 3.4Å; L175-P404 HydrophobicContact CD1-CB 3.51Å; Y177-P404 HydrophobicContact CD1-CG 4.48Å; Y177-P404 HydrophobicContact CD2-CB 3.58Å; Y177-P404 HydrophobicContact CD2-CG 4.02Å; Y177-P404 HydrophobicContact CE1-CG 3.99Å; Y177-P404 HydrophobicContact CE2-CB 3.38Å; Y177-P404 HydrophobicContact CE2-CG 3.49Å; Y177-P404 VanDerWaalsContact CE2-CG 3.49Å; Y177-P404 HydrophobicContact CG-CB 4.29Å; Y177-P404 HydrophobicContact CG-CG 4.48Å; Y177-P404 VanDerWaalsContact CZ-CG 3.47Å
405V92.6Very high88.9Confident3 Ų339.9 Ų39.92%0.01822%0.216CC..EExtended strand (participates in β ladder)trans-135.3127.8167.1-177.50000107.2L165 R166 L175 F179 L195 F351 L403L165-V405 HydrophobicContact CB-CG1 3.75Å; L165-V405 HydrophobicContact CD1-CG1 4.46Å; L165-V405 HydrophobicContact CG-CG1 4.5Å; R166-V405 WeakPolarHBondContact O-CA 3.43Å; L175-V405 HydrophobicContact CD2-CG2 4.33Å; F179-V405 HydrophobicContact CE1-CB 4.35Å; F179-V405 HydrophobicContact CE1-CG1 4.45Å; F179-V405 HydrophobicContact CE1-CG2 3.95Å; F179-V405 HydrophobicContact CE2-CG1 4.21Å; F179-V405 HydrophobicContact CZ-CB 4.32Å; F179-V405 HydrophobicContact CZ-CG1 3.93Å; F179-V405 HydrophobicContact CZ-CG2 4.19Å; L195-V405 HydrophobicContact CD2-CG2 3.97Å; F351-V405 HydrophobicContact CE2-CB 4.49Å; L403-V405 VanDerWaalsContact CB-O 3.27Å; L403-V405 WeakPolarHBondContact CB-O 3.38Å; L403-V405 PolarHBondContact O-N 3.02Å; L403-V405 VanDerWaalsContact O-N 3.09Å
406T91.7Very high88.8Confident21 Ų2137.6 Ų37.613%0.12920%0.2CC..EExtended strand (participates in β ladder)trans-124.2130.2-179.251.80000112.2L165 R166 H168 L403 D411L165-T406 CarbonylContact C-O 3.44Å; R166-T406 PolarHBondContact N-O 3.37Å; R166-T406 PolarHBondContact O-N 3.38Å; R166-T406 PolarHBondContact O-OG1 2.98Å; H168-T406 PolarHBondContact NE2-OG1 3.42Å; L403-T406 HydrophobicContact CB-CG2 3.65Å; L403-T406 HydrophobicContact CG-CG2 4.16Å; T406-D411 WeakPolarHBondContact CA-OD2 3.26Å
407C92.1Very high88.8Confident2 Ų237.4 Ų37.41%0.01420%0.2CC..EExtended strand (participates in β ladder)trans-102.9121.1165.1-154.40000108.8L165 E409 L410 D411L165-C407 HydrophobicContact CD2-CB 3.73Å; C407-E409 PolarHBondContact O-N 3.45Å; C407-E409 PolarHBondContact SG-OE2 2.9Å; C407-L410 HydrophobicContact CB-CB 4.07Å; C407-L410 HydrophobicContact CB-CD1 4.17Å; C407-L410 HydrophobicContact CB-CG 4.19Å; C407-L410 PolarHBondContact O-N 3.2Å; C407-D411 PolarHBondContact N-OD2 2.88Å; C407-D411 WeakPolarHBondContact O-CB 3.27Å; C407-D411 PolarHBondContact O-N 3.07Å
408R90.1Very high88.8Confident103 Ų10337.5 Ų37.539%0.38920%0.2SC..THydrogen-bonded Turntrans-61.9-29-177.1175176.3164.798.86.4112.5G412 D413 T415 N416R408-G412 PolarHBondContact O-N 3.42Å; R408-D413 IonicContact CZ-OD2 3.79Å; R408-D413 IonicContact NE-OD2 3.35Å; R408-D413 VanDerWaalsContact NH1-CG 3.31Å; R408-D413 IonicContact NH1-OD1 2.92Å; R408-D413 PolarHBondContact NH1-OD1 3.43Å; R408-D413 IonicContact NH1-OD2 2.77Å; R408-D413 PolarHBondContact NH1-OD2 2.83Å; R408-T415 VanDerWaalsContact CZ-OG1 3.3Å; R408-T415 PolarHBondContact NH1-OG1 2.89Å; R408-T415 PolarHBondContact NH2-OG1 3.35Å; R408-N416 PolarHBondContact O-ND2 3.32Å
409E87.2Confident89Confident73 Ų7332.6 Ų32.634%0.34118%0.177SC..THydrogen-bonded Turntrans-81.6-23.4-177.2-55.482.6173.700113.6C407 I1596C407-E409 PolarHBondContact O-N 3.45Å; C407-E409 PolarHBondContact SG-OE2 2.9Å; E409-I1596 WeakPolarHBondContact O-CG1 3.16Å
410L87.8Confident89.3Confident5 Ų528.1 Ų28.13%0.02615%0.153CC..THydrogen-bonded Turntrans-112.1-36.5-177.2-56.9175.1000112.7V181 F182 R355 C407V181-L410 HydrophobicContact CG1-CD1 4.46Å; F182-L410 HydrophobicContact CB-CD1 4.49Å; F182-L410 HydrophobicContact CB-CD2 4.35Å; R355-L410 PolarHBondContact NH2-O 3.31Å; C407-L410 HydrophobicContact CB-CB 4.07Å; C407-L410 HydrophobicContact CB-CD1 4.17Å; C407-L410 HydrophobicContact CB-CG 4.19Å; C407-L410 PolarHBondContact O-N 3.2Å
411D90.4Very high89.6Confident8 Ų827.3 Ų27.34%0.04315%0.149CC..THydrogen-bonded Turntrans-99.1-20.9-175.1-53.8-42.7000113.1R355 R358 L403 T406 C407R355-D411 IonicContact CZ-OD1 2.69Å; R355-D411 VanDerWaalsContact CZ-OD1 3.27Å; R355-D411 IonicContact NE-OD1 3.1Å; R355-D411 PolarHBondContact NE-OD1 3.47Å; R355-D411 IonicContact NH2-OD1 3.79Å; R355-D411 PolarHBondContact NH2-OD1 2.85Å; R358-D411 PolarHBondContact NH1-O 2.92Å; L403-D411 HydrophobicContact CD1-CB 4.05Å; T406-D411 WeakPolarHBondContact CA-OD2 3.26Å; C407-D411 PolarHBondContact N-OD2 2.88Å; C407-D411 WeakPolarHBondContact O-CB 3.27Å; C407-D411 PolarHBondContact O-N 3.07Å
412G88.4Confident90.2Very high4 Ų424.7 Ų24.74%0.04113%0.132CC..  trans64.7160.3-172.200000115R358 R408 N416R358-G412 PolarHBondContact NH1-O 3.02Å; R358-G412 PolarHBondContact NH2-O 2.98Å; R408-G412 PolarHBondContact O-N 3.42Å; G412-N416 VanDerWaalsContact CA-OD1 3.23Å; G412-N416 WeakPolarHBondContact CA-OD1 3.31Å
413D87.2Confident90.7Very high44 Ų4420.6 Ų20.624%0.23511%0.107CC..  trans-129-179.7165.264.353000110R408 T415 N416 L417R408-D413 IonicContact CZ-OD2 3.79Å; R408-D413 IonicContact NE-OD2 3.35Å; R408-D413 VanDerWaalsContact NH1-CG 3.31Å; R408-D413 IonicContact NH1-OD1 2.92Å; R408-D413 PolarHBondContact NH1-OD1 3.43Å; R408-D413 IonicContact NH1-OD2 2.77Å; R408-D413 PolarHBondContact NH1-OD2 2.83Å; D413-T415 PolarHBondContact O-N 2.81Å; D413-T415 WeakPolarHBondContact OD1-CA 3.4Å; D413-T415 VanDerWaalsContact OD1-CB 3.31Å; D413-T415 WeakPolarHBondContact OD1-CB 3.14Å; D413-T415 PolarHBondContact OD1-N 2.93Å; D413-T415 PolarHBondContact OD1-OG1 2.69Å; D413-N416 PolarHBondContact N-OD1 3.05Å; D413-N416 PolarHBondContact O-N 3.05Å; D413-N416 PolarHBondContact O-OD1 2.86Å; D413-L417 WeakPolarHBondContact O-CB 3.46Å; D413-L417 PolarHBondContact O-N 2.85Å
414V86.3Confident90.9Very high30 Ų3021.1 Ų21.118%0.18211%0.109CC..THydrogen-bonded Turntrans-48.8-30.9-177.7-167.20000112.9R392 F397R392-V414 PolarHBondContact NH2-O 3.34Å; F397-V414 HydrophobicContact CD1-CG1 3.67Å; F397-V414 HydrophobicContact CE1-CB 4.37Å; F397-V414 HydrophobicContact CE1-CG1 3.68Å; F397-V414 WeakPolarHBondContact O-CG2 3.42Å
415T87.1Confident91Very high70 Ų7020.2 Ų20.243%0.42910%0.104SC..THydrogen-bonded Turntrans-84.6-14.7-176.474.50000115R408 D413 N1574R408-T415 VanDerWaalsContact CZ-OG1 3.3Å; R408-T415 PolarHBondContact NH1-OG1 2.89Å; R408-T415 PolarHBondContact NH2-OG1 3.35Å; D413-T415 PolarHBondContact O-N 2.81Å; D413-T415 WeakPolarHBondContact OD1-CA 3.4Å; D413-T415 VanDerWaalsContact OD1-CB 3.31Å; D413-T415 WeakPolarHBondContact OD1-CB 3.14Å; D413-T415 PolarHBondContact OD1-N 2.93Å; D413-T415 PolarHBondContact OD1-OG1 2.69Å; T415-N1574 WeakPolarHBondContact O-CB 3.33Å; T415-N1574 PolarHBondContact O-ND2 2.95Å
416N89.3Confident90.6Very high40 Ų4020.6 Ų20.621%0.21411%0.105CC..THydrogen-bonded Turntrans-136.9-14.7178.770-18.4000115.7R408 G412 D413 P418 I1596R408-N416 PolarHBondContact O-ND2 3.32Å; G412-N416 VanDerWaalsContact CA-OD1 3.23Å; G412-N416 WeakPolarHBondContact CA-OD1 3.31Å; D413-N416 PolarHBondContact N-OD1 3.05Å; D413-N416 PolarHBondContact O-N 3.05Å; D413-N416 PolarHBondContact O-OD1 2.86Å; N416-P418 WeakPolarHBondContact O-CD 3.11Å; N416-I1596 WeakPolarHBondContact ND2-CD1 3.06Å
417L91.5Very high89.7Confident0 Ų023 Ų230%012%0.121CC..PPolyproline II helixtrans-63.3119.3178.7-175.668.6000110.6L359 A362 R392 F397 L400 D413 I1596 K1600L359-L417 HydrophobicContact CD2-CD1 3.99Å; A362-L417 HydrophobicContact CB-CD2 4.3Å; R392-L417 PolarHBondContact NH2-O 3.26Å; F397-L417 HydrophobicContact CE2-CD2 4.02Å; F397-L417 HydrophobicContact CZ-CB 4.45Å; F397-L417 HydrophobicContact CZ-CD2 4.2Å; L400-L417 HydrophobicContact CD1-CD2 3.82Å; D413-L417 WeakPolarHBondContact O-CB 3.46Å; D413-L417 PolarHBondContact O-N 2.85Å; L417-I1596 HydrophobicContact CD1-CG2 3.99Å; L417-K1600 HydrophobicContact CD1-CD 4.38Å
418P93.4Very high88Confident1 Ų130 Ų301%0.00615%0.154CC..PPolyproline II helixtrans-70.6144.6177.528.6-34.5000110.8N416 V1571 Y1573 F1597 K1600N416-P418 WeakPolarHBondContact O-CD 3.11Å; P418-V1571 HydrophobicContact CB-CG1 4.49Å; P418-Y1573 HydrophobicContact CB-CD1 4.16Å; P418-F1597 HydrophobicContact CG-CB 4.17Å; P418-F1597 HydrophobicContact CG-CD2 4.45Å; P418-K1600 PolarHBondContact O-NZ 2.88Å
419I94.8Very high86Confident0 Ų029.8 Ų29.80%016%0.16CC..EExtended strand (participates in β ladder)trans-95134.3168.9-58.8172.7000107.3A362 F364 A388 V391 R392 F397 F421 H1572A362-I419 HydrophobicContact CB-CG1 4.19Å; F364-I419 HydrophobicContact CD2-CG2 4.06Å; F364-I419 HydrophobicContact CE2-CG2 3.89Å; A388-I419 HydrophobicContact CB-CD1 4.34Å; A388-I419 VanDerWaalsContact O-CD1 3.24Å; A388-I419 WeakPolarHBondContact O-CD1 3.42Å; V391-I419 HydrophobicContact CB-CD1 4.27Å; V391-I419 HydrophobicContact CG1-CD1 3.98Å; R392-I419 HydrophobicContact CB-CD1 4.09Å; F397-I419 HydrophobicContact CZ-CG1 4.37Å; I419-F421 HydrophobicContact CG2-CD2 4.39Å; I419-F421 HydrophobicContact CG2-CE2 3.51Å; I419-F421 HydrophobicContact CG2-CZ 3.64Å; I419-H1572 HydrophobicContact CB-CB 4.33Å; I419-H1572 PolarHBondContact N-O 3.44Å; I419-H1572 VanDerWaalsContact N-O 3.09Å; I419-H1572 PolarHBondContact O-N 2.78Å
420I95Very high83.6Confident0 Ų032.2 Ų32.20%018%0.175CC..EExtended strand (participates in β ladder)trans-128.2133.6-176-53.6176.1000109.2A362 F363 F364 Y1569 D1570 V1571 F1597 K1600A362-I420 PolarHBondContact O-N 3.49Å; A362-I420 VanDerWaalsContact O-N 3.14Å; F363-I420 WeakPolarHBondContact CA-O 3.35Å; F363-I420 HydrophobicContact CD1-CB 4.2Å; F363-I420 HydrophobicContact CD1-CG2 4.18Å; F363-I420 HydrophobicContact CD2-CB 4.19Å; F363-I420 HydrophobicContact CD2-CD1 4.1Å; F363-I420 HydrophobicContact CD2-CG2 4.46Å; F363-I420 HydrophobicContact CE1-CB 4.27Å; F363-I420 HydrophobicContact CE1-CG2 3.76Å; F363-I420 HydrophobicContact CE2-CB 4.26Å; F363-I420 HydrophobicContact CE2-CD1 3.93Å; F363-I420 HydrophobicContact CE2-CG2 4.07Å; F363-I420 HydrophobicContact CG-CB 4.16Å; F363-I420 HydrophobicContact CZ-CB 4.29Å; F363-I420 HydrophobicContact CZ-CG2 3.69Å; F364-I420 PolarHBondContact N-O 3.18Å; I420-Y1569 HydrophobicContact CG2-CD1 4.12Å; I420-D1570 WeakPolarHBondContact CA-O 3.2Å; I420-V1571 HydrophobicContact CG1-CG1 4.45Å; I420-F1597 HydrophobicContact CD1-CD2 3.89Å; I420-F1597 HydrophobicContact CD1-CE2 3.85Å; I420-K1600 HydrophobicContact CD1-CD 4.14Å; I420-K1600 HydrophobicContact CD1-CG 4.15Å
421F94.2Very high81.2Confident0 Ų038.6 Ų38.60%021%0.209CC..EExtended strand (participates in β ladder)trans-113.9144.8170.2-56.5-93.1000110F364 H384 L387 A388 I419 F1315 Y1569 D1570 H1572F364-F421 HydrophobicContact CB-CD1 3.51Å; F364-F421 HydrophobicContact CB-CE1 3.75Å; F364-F421 HydrophobicContact CB-CG 4.4Å; F364-F421 HydrophobicContact CD1-CE1 4.49Å; F364-F421 HydrophobicContact CD2-CD1 4.14Å; F364-F421 AromaticContact CD2-CE1 3.61Å; F364-F421 HydrophobicContact CD2-CE1 3.61Å; F364-F421 HydrophobicContact CD2-CZ 4Å; F364-F421 HydrophobicContact CE2-CE1 4.36Å; F364-F421 HydrophobicContact CE2-CZ 4.45Å; F364-F421 HydrophobicContact CG-CD1 4.03Å; F364-F421 AromaticContact CG-CE1 3.71Å; F364-F421 HydrophobicContact CG-CE1 3.71Å; F364-F421 CarbonylContact O-C 3.52Å; F364-F421 WeakPolarHBondContact O-CA 3.49Å; H384-F421 HydrophobicContact CB-CB 4.5Å; H384-F421 HydrophobicContact CB-CD1 4.11Å; H384-F421 HydrophobicContact CB-CD2 3.38Å; H384-F421 HydrophobicContact CB-CE1 4.24Å; H384-F421 HydrophobicContact CB-CE2 3.51Å; H384-F421 HydrophobicContact CB-CG 3.72Å; H384-F421 HydrophobicContact CB-CZ 3.96Å; H384-F421 AromaticContact CD2-CD1 3.92Å; H384-F421 AromaticContact CD2-CG 3.97Å; H384-F421 AromaticContact CG-CD1 3.91Å; H384-F421 AromaticContact CG-CD2 3.73Å; H384-F421 AromaticContact CG-CG 3.55Å; H384-F421 AromaticContact ND1-CG 3.74Å; L387-F421 HydrophobicContact CB-CZ 4.34Å; L387-F421 HydrophobicContact CD2-CD1 3.98Å; L387-F421 HydrophobicContact CD2-CE1 3.31Å; L387-F421 HydrophobicContact CD2-CZ 3.85Å; L387-F421 HydrophobicContact CG-CE1 3.66Å; L387-F421 HydrophobicContact CG-CZ 3.72Å; A388-F421 HydrophobicContact CB-CE2 4.06Å; A388-F421 HydrophobicContact CB-CZ 4.46Å; I419-F421 HydrophobicContact CG2-CD2 4.39Å; I419-F421 HydrophobicContact CG2-CE2 3.51Å; I419-F421 HydrophobicContact CG2-CZ 3.64Å; F421-F1315 HydrophobicContact CD1-CD2 4.47Å; F421-F1315 HydrophobicContact CD1-CE2 4.01Å; F421-F1315 HydrophobicContact CD1-CZ 4.39Å; F421-Y1569 VanDerWaalsContact O-CA 3.27Å; F421-Y1569 WeakPolarHBondContact O-CA 3.5Å; F421-D1570 HydrophobicContact CB-CB 4.33Å; F421-D1570 PolarHBondContact N-O 3.26Å; F421-D1570 PolarHBondContact O-N 3.27Å; F421-H1572 AromaticContact CE2-CD2 3.99Å
422E94.7Very high78.6Confident0 Ų044.7 Ų44.70%024%0.242CC..EExtended strand (participates in β ladder)trans-125.6108.5178-179.7-179.116400110.3F363 F364 C365 Q366 I424 Y1320 V1567 Y1569 S1605 K1608 Y1609F363-E422 HydrophobicContact CE1-CB 4.1Å; F364-E422 PolarHBondContact O-N 2.87Å; C365-E422 CarbonylContact C-O 3.55Å; C365-E422 VanDerWaalsContact CA-O 3.28Å; C365-E422 WeakPolarHBondContact CA-O 3.47Å; C365-E422 HydrophobicContact CB-CB 3.97Å; Q366-E422 PolarHBondContact N-O 3.08Å; E422-I424 HydrophobicContact CG-CD1 4.4Å; E422-I424 HydrophobicContact CG-CG1 3.85Å; E422-I424 WeakPolarHBondContact OE1-CD1 3.18Å; E422-Y1320 PolarHBondContact OE1-OH 3.44Å; E422-Y1320 WeakPolarHBondContact OE2-CE2 3.48Å; E422-Y1320 PolarHBondContact OE2-OH 3.27Å; E422-V1567 HydrophobicContact CG-CG1 3.5Å; E422-Y1569 HydrophobicContact CB-CD1 3.84Å; E422-Y1569 HydrophobicContact CB-CE1 3.67Å; E422-Y1569 HydrophobicContact CG-CD1 4.04Å; E422-Y1569 HydrophobicContact CG-CE1 3.49Å; E422-Y1569 VanDerWaalsContact CG-CE1 3.49Å; E422-S1605 VanDerWaalsContact CD-OG 3.28Å; E422-S1605 PolarHBondContact OE1-OG 2.94Å; E422-S1605 VanDerWaalsContact OE2-CB 3.29Å; E422-S1605 WeakPolarHBondContact OE2-CB 3.49Å; E422-S1605 PolarHBondContact OE2-OG 3.49Å; E422-K1608 WeakPolarHBondContact OE1-CE 3.44Å; E422-K1608 IonicContact OE1-NZ 2.88Å; E422-K1608 PolarHBondContact OE1-NZ 3.28Å; E422-K1608 IonicContact OE2-NZ 3.74Å; E422-Y1609 WeakPolarHBondContact OE1-CE2 3.35Å; E422-Y1609 PolarHBondContact OE1-OH 3.32Å
423D92.8Very high76.1Confident4 Ų451.2 Ų51.22%0.02128%0.276CS..EExtended strand (participates in β ladder)trans-90.8105.6174.3-57.1-41.4000108.7Q366 L368 H384 F425 R1529 V1567 R1568Q366-D423 PolarHBondContact NE2-OD1 2.98Å; L368-D423 HydrophobicContact CD1-CB 4.06Å; H384-D423 IonicContact CE1-OD1 2.76Å; H384-D423 PolarHBondContact CE1-OD1 2.76Å; H384-D423 VanDerWaalsContact CE1-OD1 3.32Å; H384-D423 IonicContact CE1-OD2 3.82Å; H384-D423 IonicContact NE2-OD1 3.59Å; D423-F425 HydrophobicContact CB-CD2 4.36Å; D423-F425 HydrophobicContact CB-CE2 3.5Å; D423-F425 VanDerWaalsContact CB-CE2 3.5Å; D423-F425 HydrophobicContact CB-CZ 3.83Å; D423-F425 WeakPolarHBondContact O-CD2 3.21Å; D423-F425 WeakPolarHBondContact O-CE2 3.5Å; D423-R1529 IonicContact OD2-CZ 2.71Å; D423-R1529 IonicContact OD2-NH1 3.33Å; D423-R1529 PolarHBondContact OD2-NH1 2.98Å; D423-R1529 IonicContact OD2-NH2 3.46Å; D423-R1529 PolarHBondContact OD2-NH2 3.18Å; D423-V1567 CarbonylContact O-C 3.44Å; D423-V1567 VanDerWaalsContact O-CA 3.28Å; D423-V1567 WeakPolarHBondContact O-CA 3.39Å; D423-R1568 HydrophobicContact CB-CB 4.2Å; D423-R1568 PolarHBondContact N-O 3.21Å; D423-R1568 PolarHBondContact O-N 2.78Å
424I92.7Very high73.6Confident14 Ų1456.8 Ų56.87%0.07231%0.306CS..EExtended strand (participates in β ladder)trans-96.5111.7179.2-48.1178.9000108.9Q366 L368 E422 L426 T1565 V1567Q366-I424 PolarHBondContact O-N 2.88Å; L368-I424 PolarHBondContact N-O 3.14Å; E422-I424 HydrophobicContact CG-CD1 4.4Å; E422-I424 HydrophobicContact CG-CG1 3.85Å; E422-I424 WeakPolarHBondContact OE1-CD1 3.18Å; I424-L426 HydrophobicContact CG2-CD1 4.1Å; I424-L426 HydrophobicContact CG2-CD2 3.9Å; I424-L426 HydrophobicContact CG2-CG 3.9Å; I424-T1565 HydrophobicContact CG2-CG2 3.94Å; I424-V1567 HydrophobicContact CG1-CG1 4.39Å; I424-V1567 HydrophobicContact CG2-CG2 4.39Å
425F91.8Very high71.1Confident3 Ų362.3 Ų62.31%0.01333%0.334CS..EExtended strand (participates in β ladder)trans-93.9119.6-177.7-62.3-92.7000111L368 L370 N372 L373 D423 V1566 R1568L368-F425 HydrophobicContact CB-CD1 3.94Å; L368-F425 HydrophobicContact CB-CE1 4.01Å; L368-F425 HydrophobicContact CD1-CD1 4.46Å; L368-F425 HydrophobicContact CD1-CE1 3.73Å; L368-F425 HydrophobicContact CD1-CZ 3.85Å; L370-F425 HydrophobicContact CD1-CB 4.31Å; N372-F425 HydrophobicContact CB-CD1 4.21Å; N372-F425 HydrophobicContact CB-CE1 3.88Å; L373-F425 HydrophobicContact CB-CD1 4.45Å; L373-F425 HydrophobicContact CD1-CB 4.44Å; L373-F425 HydrophobicContact CD2-CB 3.89Å; L373-F425 HydrophobicContact CD2-CD1 3.57Å; L373-F425 HydrophobicContact CD2-CD2 3.65Å; L373-F425 HydrophobicContact CD2-CE1 3.95Å; L373-F425 HydrophobicContact CD2-CE2 4.04Å; L373-F425 HydrophobicContact CD2-CG 3.4Å; L373-F425 VanDerWaalsContact CD2-CG 3.4Å; L373-F425 HydrophobicContact CD2-CZ 4.17Å; L373-F425 HydrophobicContact CG-CB 3.98Å; L373-F425 HydrophobicContact CG-CD1 3.65Å; L373-F425 HydrophobicContact CG-CE1 4.26Å; L373-F425 HydrophobicContact CG-CG 3.8Å; D423-F425 HydrophobicContact CB-CD2 4.36Å; D423-F425 HydrophobicContact CB-CE2 3.5Å; D423-F425 VanDerWaalsContact CB-CE2 3.5Å; D423-F425 HydrophobicContact CB-CZ 3.83Å; D423-F425 WeakPolarHBondContact O-CD2 3.21Å; D423-F425 WeakPolarHBondContact O-CE2 3.5Å; F425-V1566 HydrophobicContact CB-CB 4.41Å; F425-V1566 HydrophobicContact CD2-CG1 4.45Å; F425-V1566 PolarHBondContact N-O 3.37Å; F425-R1568 HydrophobicContact CE2-CB 4.04Å; F425-R1568 HydrophobicContact CE2-CG 3.75Å
426L83.9Confident68.6Low11 Ų1164.9 Ų64.96%0.05835%0.345CS..EExtended strand (participates in β ladder)trans-128143.3-169.3-61.7170.1000112.4E367 L368 L370 I424 T1565E367-L426 HydrophobicContact CB-CD1 4.18Å; E367-L426 VanDerWaalsContact CD-CD1 3.49Å; E367-L426 HydrophobicContact CG-CD1 3.67Å; E367-L426 WeakPolarHBondContact OE2-CD1 3.35Å; L368-L426 PolarHBondContact O-N 2.88Å; L370-L426 PolarHBondContact N-O 2.78Å; I424-L426 HydrophobicContact CG2-CD1 4.1Å; I424-L426 HydrophobicContact CG2-CD2 3.9Å; I424-L426 HydrophobicContact CG2-CG 3.9Å; L426-T1565 HydrophobicContact CD2-CG2 3.76Å
427P73.1Confident66Low71 Ų7170.3 Ų70.346%0.46138%0.375SS..  trans-63.4151179.925.8-34.4000112.3L370 N429 R1179L370-P427 HydrophobicContact CD2-CB 4.31Å; P427-N429 PolarHBondContact O-N 2.75Å; P427-R1179 PolarHBondContact O-NH2 3.13Å
428H57.4Low63.3Low150 Ų15077.9 Ų77.969%0.69442%0.415SS*.  trans-81.3114.8178.6-165.181.9000110.5N430H428-N430 PolarHBondContact CD2-OD1 2.7Å; H428-N430 PolarHBondContact O-N 2.96Å
429N48Very low60.6Low98 Ų9884.6 Ų84.652%0.52445%0.451SS..  trans-89.288-170-165.4-2000111.8P427 N431P427-N429 PolarHBondContact O-N 2.75Å; N429-N431 PolarHBondContact O-N 2.72Å; N429-N431 PolarHBondContact OD1-ND2 3.19Å
430N36.5Very low57.9Low123 Ų12390.7 Ų90.766%0.65848%0.484SS*.  trans-67.40.8-175.6-92.4-13.4000116H428 N432H428-N430 PolarHBondContact CD2-OD1 2.7Å; H428-N430 PolarHBondContact O-N 2.96Å; N430-N432 PolarHBondContact O-N 3.21Å
431N36.6Very low54.9Low139 Ų13997.5 Ų97.574%0.74352%0.52SS*.THydrogen-bonded Turntrans-76.613.6-163.4-72.6-14.6000116.8N429N429-N431 PolarHBondContact O-N 2.72Å; N429-N431 PolarHBondContact OD1-ND2 3.19Å
432N35.9Very low52Low136 Ų136107 Ų10773%0.72756%0.561SS**THydrogen-bonded Turntrans-95.8-9.3-177.2-89.93.1000116N430N430-N432 PolarHBondContact O-N 3.21Å
433N35.5Very low48.9Very low142 Ų142113.5 Ų113.576%0.75960%0.601SS**SBendtrans-113.72.1-168.7-79.31.3000116.6
434N34.9Very low46.1Very low160 Ų160122.9 Ų122.986%0.85664%0.642SS**SBendtrans-945.9-173.4-88.212.2000116
435N33.7Very low43.1Very low146 Ų146126.5 Ų126.578%0.78167%0.668SS**SBendtrans-115.5138.2166.5-79.7-28.9000109.3
436N34.2Very low40.1Very low124 Ų124134.1 Ų134.166%0.66371%0.708SS**SBendtrans67.585.1-174.3-52.9-19000115.2
437N35.8Very low37.5Very low155 Ų155140.7 Ų140.783%0.82974%0.743SS**  -179.699.9100.7-86.6-23.6000113.1N439N437-N439 PolarHBondContact O-N 2.71Å
438N34.2Very low35.4Very low159 Ų159142.7 Ų142.785%0.8576%0.759SS**  trans-68.1103.8145.4-82.9-21.9000107.5
439N37.5Very low34.1Very low142 Ų142140.6 Ų140.676%0.75976%0.761SS**  trans172.3106.4137.5-89.9-35.4000113.5N437N437-N439 PolarHBondContact O-N 2.71Å
440N36.8Very low33.3Very low128 Ų128144.7 Ų144.768%0.68478%0.777SS**  37.9101.1128.3-67.7-36.5000120.5
441N33.8Very low33Very low142 Ų142143.5 Ų143.576%0.75978%0.779SS**  79.5148.9125.5-61.2-42000122
442K32.8Very low32.7Very low199 Ų199143.8 Ų143.887%0.86578%0.778SS**  trans74.177161.4-70.7173.3-179.4174.40118.2
443T29.1Very low32.6Very low137 Ų137144.9 Ų144.984%0.8478%0.784SS**  trans-29.8143.4142.541.40000116.3
444K33.6Very low32.5Very low202 Ų202141.1 Ų141.188%0.87878%0.779SS**  trans-157.795.7147.3-117.3175.6-176.1-175.30114.3
445S30.4Very low32.5Very low89 Ų89140.9 Ų140.962%0.62278%0.778SS**  trans10.8133.1143.958.70000121.8
446L28.6Very low32.4Very low163 Ų163138.6 Ų138.685%0.85377%0.769SS**  167.2114115.9-88.6152.8000107.8
447N28.2Very low32.4Very low149 Ų149139.9 Ų139.980%0.79778%0.776SS**  cis71.9106.542-71.64.4000116.2
448S30.3Very low32.2Very low114 Ų114140 Ų14080%0.79778%0.777SS**  trans-158.3133.8148.362.90000111.5
449S30.6Very low32.2Very low105 Ų105135.8 Ų135.873%0.73477%0.771SS**  cis171.4128.8-4143.50000109.2
450Q30.9Very low31.9Very low185 Ų185135.2 Ų135.286%0.86477%0.767SS**  trans-172.992.9153.8-104158.48.600105.8
451S28.9Very low31.6Very low98 Ų98139 Ų13969%0.68577%0.773SS**  69.6134.978.572.40000112.1
452I31.8Very low31.5Very low144 Ų144137.7 Ų137.774%0.73877%0.77SS**  cis-143.3140.841.3-72.4172.4000112.7
453N32.4Very low31.4Very low159 Ų159133.5 Ų133.585%0.8576%0.761SS**  trans22.2145.2153-48.2-9.9000122.6
454G33.3Very low31.4Very low63 Ų63133.9 Ų133.965%0.64976%0.758SS**  cis156.8159.2-9.400000115.9
455N34.8Very low31.3Very low155 Ų155129.8 Ų129.883%0.82975%0.75SS**  trans61150.2154.6-71.518000121.3
456T32.6Very low31.2Very low98 Ų98132 Ų13260%0.60176%0.763SS**  cis-175.3144.4-28.330.20000108.9
457N34.4Very low31.3Very low151 Ų151133.2 Ų133.281%0.80776%0.761SS**  170.4157.4122.9-87.1-29.1000114.4
458N30.5Very low31.3Very low157 Ų157130.5 Ų130.584%0.8476%0.76SS**  trans-103163.6-160.7-57.4-50.3000115.5
459G34.1Very low31.2Very low72 Ų72134.3 Ų134.374%0.74276%0.762SS**  trans165.379.8166.600000112.6
460I32Very low31.1Very low130 Ų130137.4 Ų137.467%0.66776%0.759SS**  90.9111.469.3-69.7173.8000113.5
461Y30.5Very low31Very low208 Ų208135.4 Ų135.482%0.81676%0.759SS**  trans62.8149.3161.7-55.3-28.4000118.7
462T32Very low31Very low114 Ų114134.9 Ų134.970%0.69976%0.755SS**  cis-158.7152.3-9.912.80000111.7
463T29.7Very low30.9Very low110 Ų110134.9 Ų134.968%0.67575%0.754SS**  trans43108.7151.258.50000121.4
464N30.2Very low30.8Very low145 Ų145134.9 Ų134.978%0.77575%0.749SS**  168.8148106.2-87.8-28.4000115.3
465T30.4Very low30.5Very low116 Ų116139.6 Ų139.671%0.71276%0.759SS**  trans61.4121.8172.265.90000118.6K467T465-K467 PolarHBondContact O-N 2.89Å; T465-K467 VanDerWaalsContact O-N 3.11Å
466P29.3Very low30.1Very low137 Ų137139 Ų13989%0.8975%0.754SS**  trans-84.582.8178.534.3-34.7000112.4A468P466-A468 PolarHBondContact O-N 3.02Å
467K30.3Very low29.8Very low187 Ų187139.3 Ų139.381%0.81376%0.757SS**  trans-78.2106.4159-76-175.7177.7178.90108.8T465 K469T465-K467 PolarHBondContact O-N 2.89Å; T465-K467 VanDerWaalsContact O-N 3.11Å; K467-K469 VanDerWaalsContact C-N 3.28Å; K467-K469 PolarHBondContact O-N 2.79Å
468A28.3Very low29.5Very low93 Ų93140.6 Ų140.677%0.76976%0.757SS**  trans-69.181.1176.600000111.4P466 Y470P466-A468 PolarHBondContact O-N 3.02Å; A468-Y470 PolarHBondContact O-N 2.62Å
469K28.9Very low29.4Very low193 Ų193143.3 Ų143.384%0.83976%0.762SS**  trans-64.9111.6166.8-74.2-173.9173.5-173.20108.7K467 T471K467-K469 VanDerWaalsContact C-N 3.28Å; K467-K469 PolarHBondContact O-N 2.79Å; K469-T471 PolarHBondContact O-N 3.42Å
470Y27.5Very low29.3Very low171 Ų171145.4 Ų145.467%0.67177%0.765SS**PPolyproline II helixtrans-61.7127.9156.8-82.9-94.6000108A468 S472 I1559A468-Y470 PolarHBondContact O-N 2.62Å; Y470-S472 PolarHBondContact O-N 2.95Å; Y470-I1559 HydrophobicContact CE1-CG2 4.49Å
471T29.4Very low29.2Very low143 Ų143144.5 Ų144.588%0.87777%0.77SS**PPolyproline II helixtrans-66120.4176.227.90000110.3K469K469-T471 PolarHBondContact O-N 3.42Å
472S28.8Very low29.4Very low86 Ų86139.6 Ų139.660%0.60176%0.764SS**PPolyproline II helixtrans-52.8150.4176.6-49.60000113Y470 E474Y470-S472 PolarHBondContact O-N 2.95Å; S472-E474 PolarHBondContact O-N 2.78Å
473M30.4Very low29.5Very low145 Ų145140 Ų14071%0.71477%0.768SS**  trans-7459.5155.2-75.2-168.3-72.800110.3L475 T1552M473-L475 PolarHBondContact O-N 2.94Å; M473-T1552 HydrophobicContact CE-CG2 4.1Å
474E28.8Very low29.7Very low158 Ų158142.4 Ų142.474%0.73878%0.775SS**  trans-8857.1178.9-165.7159.6-144.800109.7S472S472-E474 PolarHBondContact O-N 2.78Å
475L27.7Very low29.9Very low163 Ų163141.8 Ų141.885%0.85377%0.772SS**  trans-148.126.9-171.5-120.7171.4000113.2M473M473-L475 PolarHBondContact O-N 2.94Å
476L27Very low30.1Very low141 Ų141143.4 Ų143.474%0.73878%0.776SS**SBendtrans-145.320.2175-113.8172.7000114.7M1548L476-M1548 HydrophobicContact CD1-CE 4.46Å
477T26.3Very low30.3Very low106 Ų106144 Ų14465%0.6577%0.772SS**SBendtrans-134.6161.9169.652.10000110.7
478H28Very low30.4Very low178 Ų178138.2 Ų138.282%0.82476%0.759SS**  trans62.288176.9-53.4-77.1000117.5
479K28.9Very low30.5Very low214 Ų214143 Ų14393%0.9376%0.763SS**  trans-14687.4141.2-116.5180-175-177.90111.4
480S31.5Very low30.7Very low115 Ų115139.6 Ų139.680%0.80476%0.758SS**PPolyproline II helixtrans-78.5123.8164.650.10000109.5
481S29.3Very low31Very low112 Ų112136.2 Ų136.278%0.78376%0.757SS**PPolyproline II helixtrans-84.9131.1-179.547.80000112.5
482P34.5Very low31Very low105 Ų105138.2 Ų138.268%0.68276%0.759SS**PPolyproline II helixtrans-74.6157.7156.834.2-33.3000110.3
483P34.9Very low31Very low122 Ų122143.2 Ų143.279%0.79277%0.77SS**PPolyproline II helixtrans-73.5159173.132.5-35.1000111.8
484I34.3Very low31.1Very low160 Ų160141.4 Ų141.482%0.82177%0.771SS**  trans-136.2124.9169.6-62.9176.8000106.3
485D33.3Very low31.2Very low133 Ų133145.4 Ų145.471%0.71178%0.78SS**  trans-82.6142.7170.7-53.5-44000110.1
486D34.1Very low31.3Very low149 Ų149141.7 Ų141.780%0.79777%0.768SS**  trans43.9140.1130.8-56-10.7000120.6
487D33.3Very low31.6Very low150 Ų150141.6 Ų141.680%0.80277%0.768SS**  cis-160.41747.7-151.2-17.3000112.1
488A32.5Very low31.9Very low65 Ų65143 Ų14354%0.53777%0.772SS.*  trans59.5131.1154.200000118.9
489F31.5Very low32.1Very low194 Ų194141.4 Ų141.485%0.85177%0.769SS**  -149.9102.352.8-117-94.3000114.4
490T32.2Very low32.1Very low121 Ų121139.5 Ų139.574%0.74276%0.763SS**  trans41.7152.8137.952.70000125.5
491P34.8Very low31.9Very low101 Ų101139.6 Ų139.666%0.65676%0.764SS**  trans-135.4-172.4-165.744.2-25.3000116.2
492M29.3Very low31.8Very low184 Ų184138 Ų13891%0.90677%0.765SS**  trans-134.2122.5150.2-61.3-171.376.900108.8
493K28.5Very low31.3Very low191 Ų191140.2 Ų140.283%0.8377%0.769SS**  cis84.589.542.7-82-166.6169.9177.10116.7
494S32.3Very low30.9Very low107 Ų107144.6 Ų144.675%0.74877%0.771SS**  trans-164.4105.2130.955.40000108
495R30.4Very low30.5Very low242 Ų242145.1 Ų145.191%0.91377%0.773SS**  73.2135.395.6-83.2-175.8170163.8-4.9114.5
496S29.7Very low30.3Very low86 Ų86148 Ų14860%0.60178%0.782SS**  cis-175.4-178.7-31.3440000107.3
497D34.8Very low29.9Very low139 Ų139149.2 Ų149.274%0.74378%0.783SS**  trans76.4140.7164.4-36.4-6.4000116.2
498D32.9Very low29.7Very low136 Ų136148.9 Ų148.973%0.72778%0.781SS**  cis-165.3158.6-45.5-119.67.4000111.5
499N30.9Very low29.5Very low144 Ų144151.2 Ų151.277%0.7779%0.788SS**  trans72.3154.2151.6-68.4-39.9000124.3
500E30.2Very low29.4Very low174 Ų174148.6 Ų148.681%0.81379%0.788SS**  trans65.894.4158.2-72-176.6163.600122.6
501S26.7Very low29.2Very low117 Ų117145.3 Ų145.382%0.81878%0.778SS**  19.9116.7122.1570000119.4
502G27.3Very low28.9Very low77 Ų77147.3 Ų147.379%0.79479%0.788SS**  trans-148.3117.4170.200000113.6
503I23.9Very low28.8Very low152 Ų152149.3 Ų149.378%0.77979%0.786SS**  trans-59.4138.8155.6-62.5157.6000107.7
504Y26.4Very low28.8Very low214 Ų214146.5 Ų146.584%0.83978%0.784SS**  177158.7125.1-103.1-73.2000112.4
505M26.4Very low28.6Very low172 Ų172147.1 Ų147.185%0.84778%0.783SS**  trans-85.1135.5156.9-53.8-158.1-49.400107.9
506E28.4Very low28.7Very low193 Ų193140.2 Ų140.290%0.90277%0.772SS**  trans-110.4133.4164.2-80.1-162.1124.100111.5
507E26.6Very low28.7Very low174 Ų174145.1 Ų145.181%0.81378%0.783SS**  trans-85112.4173.5-58.9179.4119.100108.3V509E507-V509 VanDerWaalsContact C-N 3.29Å; E507-V509 HydrophobicContact CB-CG2 4.45Å; E507-V509 WeakPolarHBondContact O-CG2 3.41Å; E507-V509 PolarHBondContact O-N 3.31Å
508D29.2Very low28.5Very low144 Ų144144.9 Ų144.977%0.7779%0.786SS**  trans-74.485.9175.1-155.98.2000109V510D508-V510 PolarHBondContact O-N 3.03Å; D508-V510 VanDerWaalsContact O-N 3.1Å
509V28.3Very low28.3Very low114 Ų114142 Ų14269%0.69178%0.781SS**  trans-62.4106.7-168.1176.90000112E507 G511E507-V509 VanDerWaalsContact C-N 3.29Å; E507-V509 HydrophobicContact CB-CG2 4.45Å; E507-V509 WeakPolarHBondContact O-CG2 3.41Å; E507-V509 PolarHBondContact O-N 3.31Å; V509-G511 PolarHBondContact O-N 2.96Å
510V27.9Very low28.3Very low138 Ų138142.3 Ų142.384%0.83678%0.782SS**  trans-75.478.5164.2-175.10000109.3D508 V512D508-V510 PolarHBondContact O-N 3.03Å; D508-V510 VanDerWaalsContact O-N 3.1Å; V510-V512 PolarHBondContact O-N 2.89Å
511G29.1Very low28.1Very low53 Ų53142.9 Ų142.955%0.54678%0.781SS.*  trans-63.9122.6-178.600000112.2V509 R513V509-G511 PolarHBondContact O-N 2.96Å; G511-R513 PolarHBondContact O-N 3.31Å
512V27.7Very low28.2Very low143 Ų143142.6 Ų142.687%0.86778%0.775SS**  trans-73.475.1172.8-175.30000109.7V510V510-V512 PolarHBondContact O-N 2.89Å
513R26.9Very low28.2Very low226 Ų226147.9 Ų147.985%0.85378%0.776SS**  trans-98.6101.7171.1-112.2-178.2179.71741.9110.4G511 V515G511-R513 PolarHBondContact O-N 3.31Å; R513-V515 PolarHBondContact O-N 2.86Å
514V29.6Very low28.4Very low132 Ų132145.4 Ų145.480%0.877%0.772SS**  trans-62.3117.2168.2177.40000108.6
515V27.7Very low28.6Very low120 Ų120141 Ų14173%0.72777%0.767SS**  trans-126.994.6174.2-177.80000109.8R513R513-V515 PolarHBondContact O-N 2.86Å
516S31.9Very low28.7Very low97 Ų97139.7 Ų139.768%0.67876%0.764SS**  trans-103.1115.816054.60000109.2
517K30.4Very low28.8Very low188 Ų188138.3 Ų138.382%0.81776%0.762SS**  trans-55.7142.9161.9-50167.6-177.2172.70106.8
518T30.5Very low28.8Very low134 Ų134134.2 Ų134.282%0.82275%0.752SS**  -172.217052.148.90000107.4
519A28.8Very low28.8Very low75 Ų75132.1 Ų132.162%0.6275%0.749SS**  cis-160.2177.112.600000110.3
520I30.3Very low28.7Very low152 Ų152132 Ų13278%0.77975%0.752SS**  trans66.3106.4153.4-64.6164.2000114.7
521K26.9Very low28.9Very low185 Ų185132.4 Ų132.480%0.80475%0.75SS**  54.1132.497.8-74-170.5176.5-177.10113.9
522T28.8Very low28.8Very low112 Ų112135.1 Ų135.169%0.68776%0.756SS**  cis-165.9158.215.6-3.50000111.1
523K27.3Very low28.9Very low187 Ų187136.7 Ų136.781%0.81376%0.756SS**  trans56.9115.6148.5-79.9-172.6175.8-1690118.3
524S26.9Very low29.2Very low100 Ų100130.5 Ų130.570%0.69975%0.745SS**  66.9138.999.9790000114.7
525T31.9Very low29.1Very low121 Ų121130 Ų13074%0.74274%0.742SS**  cis-143.6176.430.246.30000113.5
526D26.8Very low29.2Very low146 Ų146130 Ų13078%0.78174%0.738SS**  trans-57.2165167.2-45.1-93000114.7
527L31.5Very low29Very low164 Ų164133.5 Ų133.586%0.85974%0.741SS**  trans152.7132.1149.3-84.6161.3000108
528S26.9Very low29Very low87 Ų87132.8 Ų132.861%0.60874%0.738SS**  cis167.5163-30.351.50000106.6
529S27.7Very low29.1Very low100 Ų100132.8 Ų132.870%0.69973%0.728SS**  trans63.7134.2150.255.60000122.2
530C27.2Very low29.3Very low111 Ų111134.1 Ų134.175%0.7573%0.733SS**  trans75.7145.6151.1-72.90000119.5
531D32.1Very low29.3Very low147 Ų147133.2 Ų133.279%0.78674%0.735SS**  cis-136.4168.610.3-119.8-36.6000116.7
532T28Very low29.7Very low111 Ų111129.9 Ų129.968%0.68173%0.732SS**  trans-108.6146.3-173-41.10000111.9
533M29.3Very low29.9Very low175 Ų175132 Ų13286%0.86274%0.738SS**  trans-166152.9145.2-100.7-51.7102.100112.3
534P33Very low30.1Very low97 Ų97127.9 Ų127.963%0.6373%0.732SS**  trans-134.7-172.4-167.446.5-31.3000116.9
535V27.2Very low30.3Very low121 Ų121129.1 Ų129.173%0.73373%0.731SS**  trans84.7141.3151.1162.60000121
536N29.8Very low30.1Very low119 Ų119133.2 Ų133.264%0.63673%0.734SS**  trans91.1101.2157.7-82.8-31.3000123.3
537K28.8Very low30.2Very low172 Ų172133.6 Ų133.675%0.74874%0.735SS**  76.7127.7120.1-72.7172-176.8169.70123.3
538K29.8Very low30.3Very low172 Ų172136.3 Ų136.375%0.74874%0.735SS**  trans74.2149.9145.7-73.4175.4155.9-133.80116.9
539E32.6Very low30.6Very low135 Ų135138 Ų13863%0.63174%0.744SS**  cis-153.4152.410.3-147.3139.1-131.500113.8
540S32Very low30.6Very low103 Ų103138 Ų13872%0.7274%0.744SS**  trans56.2143.2157.252.10000121.5
541T31.4Very low30.7Very low132 Ų132138.6 Ų138.681%0.8174%0.744SS**  cis-162142.8-5.219.40000110.8
542P35.8Very low30.5Very low115 Ų115136.4 Ų136.475%0.74774%0.741SS**  trans-116.6-151.5169.741.9-31000112.9
543I31.8Very low30.5Very low158 Ų158135.6 Ų135.681%0.8174%0.74SS**  trans101.3136.6178.3-60.7159000112.3
544S32.7Very low30.7Very low99 Ų99134.7 Ų134.769%0.69274%0.738SS**  cis-155179.57.8102.90000110.6
545N30.3Very low30.6Very low126 Ų126138.3 Ų138.367%0.67475%0.746SS**  cis-175.3130.1-32.8-95.8-1.3000111.8
546Y27.1Very low31Very low208 Ų208137.1 Ų137.182%0.81674%0.741SS**  trans46.6148.8133.7-80.6-75.3000127.8
547I29.7Very low31Very low154 Ų154136.5 Ų136.579%0.7975%0.746SS**  trans100.4131.5137.5-82.2160.7000122
548Y32.4Very low31Very low220 Ų220134.6 Ų134.686%0.86374%0.744SS**  trans-91.8160.4167.9-95.9-94.7000110.8
549P34.3Very low31.1Very low124 Ų124135.7 Ų135.781%0.80575%0.745SS**  -148.5-169.4112.938.2-21.1000114.8
550S27Very low31.2Very low99 Ų99136.5 Ų136.569%0.69275%0.749SS**  trans-121.1-176.8-169.359.30000114.8
551T29.9Very low31.2Very low123 Ų123137.7 Ų137.776%0.75575%0.746SS**  trans81.6122.1148.730.30000122.3
552S28.8Very low31.3Very low102 Ų102138.8 Ų138.871%0.71374%0.742SS**  trans7110713762.30000123.9
553S28.1Very low31.1Very low94 Ų94138.1 Ų138.166%0.65773%0.732SS**  52.2119.112863.90000122.6
554N31.9Very low31Very low155 Ų155139 Ų13983%0.82973%0.731SS**  -178.216597.5-95.3-39.2000116
555H31.2Very low30.8Very low174 Ų174137.7 Ų137.781%0.80672%0.721SS**  trans-70.2-178.7176.8-90-66.4000115.2
556P35.8Very low30.9Very low95 Ų95140.2 Ų140.262%0.61773%0.729SS**  cis-142.9178.2-28.737.4-19.4000116.2
557S30.1Very low31.2Very low107 Ų107135.7 Ų135.775%0.74873%0.727SS**  trans73.2160.914785.70000118.6
558N29.5Very low31.2Very low131 Ų131133.9 Ų133.970%0.70173%0.729SS**  cis-156.6-168.5-3.5-140.5-23.5000112.5
559Y31.9Very low31.5Very low195 Ų195128.5 Ų128.577%0.76572%0.721SS**  trans85.9100.9177.9-59-78.3000114.6
560Q33.2Very low31.4Very low152 Ų152129 Ų12971%0.7172%0.717SS**  77.7141.368.4-71.9-175.5-7.100113
561L32.9Very low31.4Very low129 Ų129131.1 Ų131.168%0.67572%0.719SS**  cis-136.6146.316-91.898.1000113.4
562Q32.7Very low31.4Very low154 Ų154133.3 Ų133.372%0.7273%0.726SS**  50.7146.8129.9-60.1-165.5-5.100122
563N31.6Very low31.5Very low101 Ų101134.4 Ų134.454%0.5473%0.728SS.*  cis-162.6156.3-0.1-108.8-7.5000112.7
564F29.8Very low31.8Very low177 Ų177135.2 Ų135.278%0.77673%0.731SS**  trans30.7154144.3-61.7-57.9000123.9
565S28.4Very low31.6Very low71 Ų71132.1 Ų132.150%0.49772%0.722SS.*  cis167.8158.8-31.951.90000110.2
566H33.6Very low31.5Very low179 Ų179130.1 Ų130.183%0.82972%0.722SS**  trans68.2155.9166.3-56.1-60.1000116
567S32.9Very low31.1Very low113 Ų113130 Ų13079%0.7972%0.723SS**  cis-153.4175-5.9290000110.9
568S29.1Very low31Very low116 Ų116131.8 Ų131.881%0.81172%0.724SS**  trans-86.9-156-173.3-49.90000114.1
569P39.7Very low31.1Very low107 Ų107132.9 Ų132.970%0.69572%0.724SS**  -114.2178.9-115.338.9-21.5000114.6
570D30.7Very low31Very low136 Ų136130.1 Ų130.173%0.72772%0.719SS**  173.6155.9119.4-98.4-22.6000116.1
571L27.1Very low30.7Very low143 Ų143129.5 Ų129.575%0.74972%0.719SS**  trans32.1118.3144.3-58.5164.1000121.1
572L31Very low30.6Very low169 Ų169131.7 Ų131.789%0.88573%0.725SS**  169.4124.2109.3-89.7165.7000114.2
573T30.7Very low30.3Very low124 Ų124130 Ų13076%0.76173%0.725SS**  trans-86.4170.2152.150.50000108.7
574P34.2Very low30.2Very low111 Ų111132 Ų13272%0.72174%0.741SS**  cis-153175.828.142.6-19.9000120.1
575S28.1Very low30Very low91 Ų91129.7 Ų129.764%0.63674%0.742SS**  trans55.2148.3138.264.60000125.4
576T28.1Very low30.1Very low131 Ų131135 Ų13580%0.80475%0.751SS**  trans68.2146.4150.843.20000119
577S27.1Very low30.2Very low92 Ų92131.1 Ų131.164%0.64374%0.742SS**  cis-173.8177.2-4.151.40000110.7
578L27.8Very low30.1Very low146 Ų146132.3 Ų132.376%0.76474%0.738SS**  trans69.9151.7165.4-62.5163.1000114.5
579Q33.3Very low30.1Very low153 Ų153134.7 Ų134.772%0.71573%0.734SS**  cis-162.4165.87-115.4165.5-23.800107.3
580Q28.6Very low29.6Very low138 Ų138138 Ų13865%0.64574%0.737SS**  cis-169.1154.9-23.6-131.8-176.5-49.700108.7
581I27.2Very low29.9Very low138 Ų138136.6 Ų136.671%0.70874%0.736SS**  trans69.3147.1158.9-61.8160.5000114.4
582H31.2Very low30Very low176 Ų176139.3 Ų139.382%0.81574%0.742SS**  cis-138.5172.619-147.9-79.6000112.9
583V26.7Very low29.9Very low118 Ų118138.7 Ų138.772%0.71574%0.739SS**  trans-104.3140.1178.3174.70000112.7
584T29.4Very low29.8Very low142 Ų142136.4 Ų136.487%0.87173%0.732SS**  trans-173.3167.8135.123.60000113.7
585T26.1Very low29.5Very low129 Ų129137.4 Ų137.479%0.79174%0.736SS**  trans-89.5155.2-164.146.90000117.3
586R30.1Very low29.6Very low182 Ų182138.6 Ų138.669%0.68774%0.74SS**  11.4157.3124.9-101.1-175.4-176.1-163.1-0.9118.8S866R586-S866 PolarHBondContact NH1-OG 3.09Å; R586-S866 PolarHBondContact NH2-OG 3.39Å
587P35Very low29.6Very low99 Ų99139 Ų13964%0.64374%0.737SS**  cis-153-176.73.939.2-15.5000119.3
588I30Very low29.6Very low137 Ų137141.9 Ų141.970%0.70375%0.745SS**  trans82140.4130.6-92.6165.3000125.1
589F29.4Very low29.5Very low167 Ų167141 Ų14173%0.73275%0.746SS**  trans66.6162.5157.8-81.4-34.4000120.4
590K29.9Very low29.2Very low176 Ų176139.6 Ų139.677%0.76575%0.747SS**  cis-146.4166.29-131.4144-172.5-1780112
591P36Very low29.3Very low107 Ų107139.1 Ų139.170%0.69575%0.754SS**  trans-100-169.1-176.740.6-32.6000113.3
592F31.1Very low29.6Very low199 Ų199137.4 Ų137.487%0.87375%0.752SS**  trans-135.6163.8-179.3-123.7-98.5000116
593L28.1Very low29.4Very low157 Ų157136.7 Ų136.782%0.82275%0.749SS**  trans-147.5178.9-172.6-56.2165.3000108.2
594A29.3Very low29.4Very low75 Ų75137.9 Ų137.962%0.6275%0.75SS**  cis-160.8150.16.500000111.7
595T27.8Very low29.3Very low133 Ų133136.9 Ų136.982%0.81674%0.739SS**  trans69.5167.5143.6-440000119.4
596V28.8Very low29.7Very low116 Ų116136.8 Ų136.870%0.70374%0.738SS**  trans101.299.2157.8-169.20000119.1
597N28.6Very low29.6Very low140 Ų140134.3 Ų134.375%0.74974%0.738SS**  trans50.3123.7136.6-54.1-6.5000124.2
598N27.1Very low29.5Very low152 Ų152133.5 Ų133.581%0.81375%0.748SS**  37.3154.6129.5-60.9-6000124.1
599V26.3Very low29.6Very low128 Ų128133.8 Ų133.878%0.77675%0.746SS**  trans106103.5152.9-172.80000117.9
600T27.5Very low29.8Very low122 Ų122130.8 Ų130.875%0.74875%0.746SS**  trans51.1120.3151.461.30000124
601T29.4Very low29.8Very low129 Ų129129.6 Ų129.679%0.79174%0.741SS**  -19.6171.8125.816.90000119
602P33.1Very low29.6Very low101 Ų101136.6 Ų136.666%0.65675%0.753SS**  cis-143.3-178.1-2.238.1-17000117.8
603Q27.2Very low29.4Very low161 Ų161136.8 Ų136.875%0.75275%0.748SS**  trans70.5160.7160.2-52-152.921.600117.1
604L27.9Very low29.3Very low143 Ų143136.6 Ų136.675%0.74974%0.741SS**  cis-131.1170.114.3-105.599.4000115.4
605L27.2Very low29.1Very low122 Ų122141 Ų14164%0.63975%0.748SS**  trans-18.3158160.2-77.962.8000118.2
606V33.4Very low29.4Very low126 Ų126140.7 Ų140.776%0.76474%0.741SS**  -151.7127.655.5170.60000115.2
607N29.1Very low29.4Very low131 Ų131141.2 Ų141.270%0.70175%0.747SS**  trans20.7133.9145.6-58.4-38.3000123.7
608G33.6Very low29.4Very low81 Ų81138.4 Ų138.484%0.83574%0.738SS**  trans-17480.4159.100000112.7
609Q30.9Very low29.3Very low143 Ų143137.9 Ų137.967%0.66874%0.736SS**  trans-91.1144.6-171-55.5-175.822.100113.7
610S34.5Very low29.4Very low104 Ų104139.4 Ų139.473%0.72773%0.734SS**  -175.9100.4100.3-1600000116.2
611K28.8Very low29.4Very low152 Ų152139.1 Ų139.166%0.66174%0.737SS**  trans32.2122.1130.4-61.3148172.4160.60119.5
612R31.6Very low29.2Very low254 Ų254142.4 Ų142.496%0.95873%0.734SS**  -158.4159.585-98.7176.9-176.2-168.30.9111.7
613R27.2Very low28.8Very low202 Ų202146.3 Ų146.376%0.76274%0.741SS**  trans-118.8157-165.7-54.6169.8173.4165.7-9111.3
614F26Very low28.7Very low153 Ų153148.6 Ų148.667%0.67175%0.749SS**  170.5132.993.8-94.6-56.2000117
615H26.2Very low28.5Very low167 Ų167148.5 Ų148.577%0.77374%0.744SS**  trans37.7127.8148.4-70.8-47.4000125.2
616L32.3Very low28.5Very low127 Ų127151.4 Ų151.467%0.66575%0.748SS**  trans-62.5159.1142.9-112.873.6000111.7
617P28.7Very low28.1Very low127 Ų127153.7 Ų153.783%0.82575%0.748SS**  -134.8174.5116.538.2-30000114.3
618S28.6Very low28Very low81 Ų81152.2 Ų152.257%0.56674%0.74SS**  trans-98.3179.9-177.252.10000113.6
619N26.7Very low27.7Very low142 Ų142156.3 Ų156.376%0.75974%0.735SS**  trans66.6105163.1-60-5.3000118.1
620H28.5Very low27.8Very low160 Ų160152.5 Ų152.574%0.74173%0.725SS**  -160.9132.5116.1-106.7-65000111.3
621S26.3Very low27.7Very low115 Ų115156.4 Ų156.480%0.80472%0.723SS**  trans-72.5122.4161.943.10000109.4
622R25Very low27.8Very low198 Ų198152.5 Ų152.575%0.74773%0.726SS**  trans-141.2136.7168.9-68.6-167.2-178.1-162.50.6110.6F624R622-F624 PolarHBondContact O-N 2.78Å
623K24.6Very low27.7Very low183 Ų183145.9 Ų145.980%0.79672%0.716SS**  trans-60.4126.9177.3-59172.1179.2178.90109.8
624F25.2Very low27.9Very low210 Ų210143.1 Ų143.192%0.92172%0.716SS**  trans-90.3102.2163.4-85.2-83.1000109.3R622R622-F624 PolarHBondContact O-N 2.78Å
625H24.2Very low28.1Very low140 Ų140140.6 Ų140.665%0.64871%0.713SS**  trans-97.7132.7170-88.3-74000109.6
626Y26Very low28.1Very low183 Ų183140.8 Ų140.872%0.71872%0.719SS**  trans66148.7168.2-79.1-101.7000115.5
627F25.6Very low27.9Very low174 Ų174139 Ų13976%0.76372%0.717SS**  cis-12711832.8-84.3-97.7000115.6K629F627-K629 HydrophobicContact CB-CG 4.17Å
628D28Very low27.9Very low100 Ų100140.7 Ų140.754%0.53571%0.714SS.*  trans-65.6128.5144.1170.117.8000108.8S630D628-S630 VanDerWaalsContact CG-OG 3.24Å; D628-S630 WeakPolarHBondContact OD1-CB 3.39Å; D628-S630 PolarHBondContact OD1-N 2.97Å; D628-S630 PolarHBondContact OD1-OG 2.9Å; D628-S630 PolarHBondContact OD2-OG 3.36Å
629K27.2Very low27.9Very low167 Ų167144.9 Ų144.973%0.72673%0.729SS**  trans-117.545174.9-74.5-168173.6-178.70112.2F627F627-K629 HydrophobicContact CB-CG 4.17Å
630S31.7Very low27.9Very low64 Ų64144.7 Ų144.745%0.44873%0.728SS.*  trans-100.313.4172.969.10000114.6D628D628-S630 VanDerWaalsContact CG-OG 3.24Å; D628-S630 WeakPolarHBondContact OD1-CB 3.39Å; D628-S630 PolarHBondContact OD1-N 2.97Å; D628-S630 PolarHBondContact OD1-OG 2.9Å; D628-S630 PolarHBondContact OD2-OG 3.36Å
631R32.7Very low27.8Very low186 Ų186142.3 Ų142.370%0.70272%0.721SS**SBendtrans-128.4138.6175.3-65.5-172.5174.3-153-9.5112.3
632G31.6Very low28Very low70 Ų70144.3 Ų144.372%0.72272%0.722SS**  trans-73.8165.1-172.700000114.8
633P29.1Very low28.1Very low114 Ų114141.6 Ų141.674%0.7472%0.723SS**  trans-80.8121.7-174.831.6-33.4000112.3
634N31.5Very low28.2Very low145 Ų145138 Ų13878%0.77572%0.72SS**  trans-174.2155.1147.8-103-36.9000113
635V29.5Very low28.2Very low100 Ų100135.7 Ų135.761%0.60672%0.718SS**  trans58.294.9171.8-165.50000117.2
636L27.6Very low28.2Very low170 Ų170135.4 Ų135.489%0.8973%0.726SS**  trans-154.8106.2134.3-121.3171.8000110.3
637S27.3Very low28.2Very low90 Ų90135.5 Ų135.563%0.62973%0.73SS**  trans-141.1148.6169.157.90000109
638H28.5Very low28Very low162 Ų162135.7 Ų135.775%0.7574%0.738SS**  trans68.1140-172.6-48.6-83.5000114.6
639L28Very low28Very low170 Ų170135.7 Ų135.789%0.8974%0.741SS**  cis-114.5156.1-1.3-7988.2000112.2
640N26.5Very low27.8Very low137 Ų137131.1 Ų131.173%0.73374%0.741SS**  trans-114.8160.8166.9-173.629.5000109.2
641N28.1Very low27.5Very low111 Ų111138.4 Ų138.459%0.59476%0.761SS**  trans60.1120174-64.4-8.9000117.2
642N29.1Very low27.2Very low156 Ų156140.4 Ų140.483%0.83477%0.768SS**  -154.9152.990-103.9-27000113.2
643N27.3Very low26.8Very low141 Ų141142.2 Ų142.275%0.75477%0.77SS**  trans-72.1135.6-168.5-61.3-37.6000113.1
644S27.3Very low26.6Very low107 Ų107144.2 Ų144.275%0.74877%0.773SS**  trans-131.2109.4155620000108.9V646S644-V646 PolarHBondContact O-N 3.12Å
645N24.6Very low26.3Very low162 Ų162144.6 Ų144.687%0.86677%0.77SS**  trans-66.7115.4-172.4-66.9-39.7000112
646V25.7Very low26.1Very low135 Ų135145.9 Ų145.982%0.81878%0.78SS**  trans-109.9119.1163.8-176.70000108.1S644S644-V646 PolarHBondContact O-N 3.12Å
647K24.7Very low26.1Very low184 Ų184142.9 Ų142.980%0.877%0.769SS**  trans-61.7134-170.5-68.1172.3177.1173.70111.9V649K647-V649 HydrophobicContact CB-CG2 3.75Å; K647-V649 HydrophobicContact CD-CG2 4.36Å; K647-V649 PolarHBondContact O-N 3.5Å
648L22.7Very low26Very low179 Ų179147.2 Ų147.294%0.93778%0.779SS**  trans-67.388.8150-90.190.5000108.4G650L648-G650 VanDerWaalsContact C-N 3.32Å; L648-G650 PolarHBondContact O-N 2.8Å
649V26.2Very low26.1Very low99 Ų99145.9 Ų145.960%0.678%0.778SS**  trans-82.186.2163.6-172.20000107.4K647 Y651K647-V649 HydrophobicContact CB-CG2 3.75Å; K647-V649 HydrophobicContact CD-CG2 4.36Å; K647-V649 PolarHBondContact O-N 3.5Å; V649-Y651 HydrophobicContact CG1-CD2 3.82Å; V649-Y651 HydrophobicContact CG1-CE2 3.78Å; V649-Y651 PolarHBondContact O-N 3.09Å; V649-Y651 VanDerWaalsContact O-N 3.09Å
650G24.6Very low26Very low71 Ų71145.4 Ų145.473%0.73278%0.776SS**  trans-67.2104172.400000110.2L648L648-G650 VanDerWaalsContact C-N 3.32Å; L648-G650 PolarHBondContact O-N 2.8Å
651Y24.7Very low26.1Very low217 Ų217145.1 Ų145.185%0.85178%0.779SS**  trans-77.5139.7169.6-105.7-90.7000111.1V649V649-Y651 HydrophobicContact CG1-CD2 3.82Å; V649-Y651 HydrophobicContact CG1-CE2 3.78Å; V649-Y651 PolarHBondContact O-N 3.09Å; V649-Y651 VanDerWaalsContact O-N 3.09Å
652R25.7Very low26.1Very low229 Ų229145.6 Ų145.686%0.86479%0.786SS**  trans-70.4152.8-167.7-72.4179169.3-172.9-3.6112.7I654R652-I654 PolarHBondContact O-N 2.92Å
653S23.8Very low25.9Very low108 Ų108147 Ų14776%0.75579%0.79SS**  trans-38.1123.5149.8168.10000111.8
654I25.2Very low25.8Very low156 Ų156146.6 Ų146.680%0.879%0.788SS**  trans-111.3133.2150.7-62.1179.4000105.5R652R652-I654 PolarHBondContact O-N 2.92Å
655Q25.5Very low25.8Very low152 Ų152149.7 Ų149.771%0.7179%0.79SS**  trans-69154.4-174.5-69149.4-90.400111.2V657Q655-V657 PolarHBondContact O-N 2.85Å; Q655-V657 VanDerWaalsContact O-N 3.1Å
656P24.5Very low25.8Very low127 Ų127151 Ų15183%0.82578%0.784SS**  trans-63.4110.3156.529.3-31.1000107.4E658P656-E658 PolarHBondContact O-N 2.83Å
657V27.5Very low25.7Very low107 Ų107150.4 Ų150.465%0.64879%0.786SS**  trans-78.7116.6171.6179.20000107.5Q655 D659Q655-V657 PolarHBondContact O-N 2.85Å; Q655-V657 VanDerWaalsContact O-N 3.1Å; V657-D659 HydrophobicContact CG1-CB 4.36Å; V657-D659 VanDerWaalsContact CG1-OD2 3.23Å; V657-D659 WeakPolarHBondContact CG1-OD2 3.35Å; V657-D659 PolarHBondContact O-N 2.78Å
658E26.4Very low25.7Very low181 Ų181144.8 Ų144.885%0.84678%0.781SS**  trans-75.3105.3164.8-63.2179.8149.700107.9P656P656-E658 PolarHBondContact O-N 2.83Å
659D29.6Very low25.8Very low135 Ų135144 Ų14472%0.72278%0.777SS**  trans-124.3101.9170.8-98.4-44000110.4V657 V661V657-D659 HydrophobicContact CG1-CB 4.36Å; V657-D659 VanDerWaalsContact CG1-OD2 3.23Å; V657-D659 WeakPolarHBondContact CG1-OD2 3.35Å; V657-D659 PolarHBondContact O-N 2.78Å; D659-V661 PolarHBondContact O-N 2.85Å
660N26Very low25.6Very low160 Ų160143.6 Ų143.686%0.85678%0.778SS**  trans-82.2104.6169.6-70.1-75.3000108.9
661V29.8Very low25.6Very low131 Ų131147 Ų14779%0.79478%0.78SS**  trans-121.5110.8164.4-173.90000110.1D659D659-V661 PolarHBondContact O-N 2.85Å
662T27.1Very low25.7Very low121 Ų121142.3 Ų142.374%0.74277%0.769SS**  trans-65.4141.1-179.4450000113.2N664T662-N664 PolarHBondContact O-N 3.21Å
663M24.7Very low25.7Very low185 Ų185141 Ų14191%0.91176%0.764SS**  trans-67117156.7-93.7-71.6-17400110.8
664N26.2Very low25.9Very low133 Ų133145 Ų14571%0.71176%0.763SS**  trans-163.2133.4150-94.1-36.5000104.6T662T662-N664 PolarHBondContact O-N 3.21Å
665Q26.2Very low25.9Very low172 Ų172148 Ų14880%0.80476%0.764SS**  cis-145.9144.848.9-76.8-174.3-1600114.4
666Y24.7Very low26.1Very low189 Ų189146.9 Ų146.974%0.74176%0.762SS**  trans46110.9137.1-72-91.9000122.2
667S24.2Very low26.3Very low122 Ų122145.4 Ų145.485%0.85375%0.751SS**  73.7168120.283.50000119.3
668G25.2Very low26.3Very low67 Ų67148.3 Ų148.369%0.69176%0.757SS**  trans124.674175.600000115.1
669L23.4Very low26.1Very low163 Ų163144 Ų14485%0.85375%0.748SS**  22.4116.4129.1-69.6156.4000118.6
670S23.5Very low25.9Very low90 Ų90142.8 Ų142.863%0.62975%0.749SS**  33.4144.7126.256.70000122.4
671D23.8Very low25.9Very low143 Ų143143.1 Ų143.177%0.76575%0.75SS**  trans73.3117.7164.4-61.4-42.9000118.9
672N26.8Very low25.6Very low118 Ų118143.2 Ų143.263%0.63175%0.746SS**  -177.5127.694.5-102.8-90.6000113.8
673R26Very low25.6Very low201 Ų201144.5 Ų144.576%0.75875%0.747SS**  trans71.5141.3147.2-59.5168.8-166.1-151.1-3.1117.5
674R27.8Very low25.7Very low192 Ų192142.2 Ų142.273%0.72574%0.739SS**  cis-161.4132.95.8-126.9174.8-173.8-177.71.9112.6
675R25.7Very low25.8Very low218 Ų218140.6 Ų140.682%0.82374%0.738SS**  trans66.1144.2160-62.4-180174.3-176.7-4.2116.5
676L29.6Very low25.8Very low130 Ų130139.4 Ų139.468%0.68174%0.737SS**  cis-122.4132.313.9-84.2169.6000114
677T27.4Very low26Very low96 Ų96137.6 Ų137.659%0.58974%0.739SS**  trans29131.1141.652.40000123
678E27.5Very low26.2Very low167 Ų167138.4 Ų138.478%0.7873%0.733SS**  trans74.4105.1138-70.6151.6-13600117.5
679S23.8Very low26.3Very low92 Ų92143.5 Ų143.564%0.64374%0.739SS**  72.392.968.676.60000112
680S23.5Very low26.3Very low108 Ų108141 Ų14176%0.75573%0.734SS**  63.9108.984.574.50000113.9
681L26.2Very low26.3Very low168 Ų168141 Ų14188%0.8873%0.734SS**  trans-146.2136.7148.9-114.5170.3000109.2
682N24.7Very low26.3Very low132 Ų132141.2 Ų141.271%0.70673%0.725SS**  trans-78.1163.9-175.5-48.2-38.3000110.7
683I27.5Very low26.2Very low149 Ų149140.3 Ų140.376%0.76473%0.728SS**  -176.2110.4105.5-88.3154000108.4
684D26.5Very low26.1Very low137 Ų137135.8 Ų135.873%0.73373%0.727SS**  trans36166.4140.3-55.3-60.2000124.5
685S27Very low26Very low98 Ų98135 Ų13569%0.68574%0.736SS**  trans76.584.4160.156.70000119.3
686D27Very low25.9Very low147 Ų147127.9 Ų127.979%0.78673%0.73SS**  110.9126.1107.1-73-20.3000122.6
687I29.7Very low25.8Very low152 Ų152129.9 Ų129.978%0.77974%0.74SS**  trans70.459.1149.7-53.6161.9000116.3
688N27Very low25.9Very low139 Ų139135.6 Ų135.674%0.74375%0.751SS**  50117.7125.9-73.8-9.7000122.2
689H28.1Very low26.1Very low173 Ų173133.7 Ų133.780%0.80175%0.753SS**  trans76.266.2141.5-66.9-53000119.9
690C23.1Very low26.3Very low111 Ų111137.5 Ų137.575%0.7577%0.765SS**  trans-79.3154.2136.7-135.50000111.5
691S23.6Very low26.4Very low91 Ų91136 Ų13664%0.63677%0.766SS**  trans61124.8133-64.90000125
692Y24Very low26.3Very low146 Ų146131.8 Ų131.857%0.57376%0.763SS**  78155.6128-87.7-102.5000124.4L801Y692-L801 HydrophobicContact CE1-CD1 4.08Å
693S23.9Very low26.3Very low99 Ų99133.6 Ų133.669%0.69277%0.772SS**  trans72.8105.9153.4470000122
694S25.1Very low26.2Very low107 Ų107130.6 Ų130.675%0.74877%0.769SS**  29.9111.9128.359.60000121.1
695I24.6Very low26.2Very low176 Ų176132.3 Ų132.390%0.90378%0.776SS**  trans174.9136.7130.3-89.2151.1000104.6
696G25Very low26Very low68 Ų68135.8 Ų135.870%0.70178%0.775SS**  cis129.668.111.400000110.4
697L26.6Very low25.9Very low171 Ų171133.4 Ų133.490%0.89576%0.762SS**  trans-156.5146172.1-104168000110.4
698R30.2Very low25.9Very low217 Ų217134.6 Ų134.682%0.81977%0.766SS**  trans-84.1146179.5-70.4179.9173.2-177.9-4111.9
699P31.1Very low25.8Very low126 Ų126136.7 Ų136.782%0.81876%0.764SS**  trans-105.8160.1140-9.828.9000112.5
700I27.1Very low25.8Very low173 Ų173134.4 Ų134.489%0.88777%0.767SS**  trans-112.2131.6172.5-62.5164.5000107
701G26.1Very low26Very low77 Ų77139 Ų13979%0.79477%0.769SS**  trans169.4113.8176.200000111.9
702G24.6Very low26.1Very low78 Ų78139.2 Ų139.280%0.80477%0.77SS**  trans-84146.4-17100000114.4
703L25.2Very low26.3Very low171 Ų171138.6 Ų138.690%0.89578%0.776SS**  trans-148102.6130.4-116.2163.6000109.1I705L703-I705 PolarHBondContact O-N 3.12Å
704A24Very low26.4Very low85 Ų85143.3 Ų143.370%0.70278%0.78SS**  trans-84.4103.5177.200000109.5R706A704-R706 PolarHBondContact O-N 3.41Å
705I27.3Very low26.6Very low174 Ų174144.9 Ų144.989%0.89278%0.78SS**  trans-64.9127.8159.6-61.9-179000106.8L703L703-I705 PolarHBondContact O-N 3.12Å
706R23.5Very low26.8Very low171 Ų171142.4 Ų142.465%0.64577%0.768SS**  trans-143133.7-157.2175.1-178.4-177.3151.51108.7A704A704-R706 PolarHBondContact O-N 3.41Å
707D24.9Very low27Very low97 Ų97143.4 Ų143.452%0.51976%0.764SS.*  trans64.6156.8-168.7-68.8-63.2000111.1
708M28Very low27.3Very low176 Ų176143.1 Ų143.187%0.86776%0.762SS**  cis-106.6128.918.3-56-157.775.800115.3
709R25.9Very low27.2Very low184 Ų184142.1 Ų142.169%0.69476%0.764SS**  trans-62146.6150.4-73.8177.1163.879.12.2109.7R711R709-R711 VanDerWaalsContact C-N 3.27Å; R709-R711 HydrophobicContact CB-CG 4.4Å; R709-R711 PolarHBondContact O-N 2.62Å
710S27.1Very low27.1Very low124 Ų124141.4 Ų141.487%0.86776%0.762SS**  trans-60.383.1163.745.70000111.7S712S710-S712 PolarHBondContact O-N 2.77Å
711R27.5Very low27.5Very low209 Ų209139 Ų13979%0.78976%0.758SS**  trans-88.879.1178.2-82.2-167.6171.9-163.20.8111.8R709 L713R709-R711 VanDerWaalsContact C-N 3.27Å; R709-R711 HydrophobicContact CB-CG 4.4Å; R709-R711 PolarHBondContact O-N 2.62Å; R711-L713 PolarHBondContact O-N 2.9Å
712S27.1Very low27.7Very low95 Ų95143.3 Ų143.366%0.66476%0.757SS**  trans-55.2124.7142.7176.40000108.9S710S710-S712 PolarHBondContact O-N 2.77Å
713L28Very low28Very low132 Ų132147.9 Ų147.969%0.69176%0.761SS**  trans140.1122.3145.1-75.2-172.5000115.1R711R711-L713 PolarHBondContact O-N 2.9Å
714Y26Very low27.9Very low199 Ų199148.1 Ų148.178%0.7876%0.755SS**  trans57.9132155.1-66-66.7000118.7
715N28.3Very low28Very low140 Ų140149.1 Ų149.175%0.74976%0.757SS**  cis-159.9150.643.6-94-63.8000112.8
716L29.5Very low27.9Very low124 Ų124146.9 Ų146.965%0.64975%0.752SS**  174.5107.5130-99.2163.5000112.1I1475L716-I1475 HydrophobicContact CB-CD1 3.8Å; L716-I1475 HydrophobicContact CD1-CD1 4.17Å; L716-I1475 HydrophobicContact CD1-CG2 3.73Å
717S28.7Very low27.9Very low88 Ų88145.7 Ų145.762%0.61576%0.758SS**  -176.5126.4124.7-163.10000113
718L33.5Very low27.9Very low166 Ų166148 Ų14887%0.86977%0.77SS**  trans64167.3160.6-65.8166000119.9
719K27.7Very low27.6Very low195 Ų195147.3 Ų147.385%0.84876%0.764SS**  trans-150.5164.8-148.7-71.8179.7175.8174.70115.2
720S30.1Very low27.5Very low112 Ų112144.3 Ų144.378%0.78377%0.766SS**  trans92.8158.5143.882.80000118.9
721P34.3Very low27.4Very low122 Ų122145.4 Ų145.479%0.79276%0.761SS**  cis-120.9-178.4-14.117.46.5000114
722Q29.7Very low27.3Very low167 Ų167141.5 Ų141.578%0.7876%0.756SS**  trans-90.1162.7174.9-60.9-179.5-12.500112.6
723I31.4Very low27.2Very low175 Ų175143 Ų14390%0.89776%0.755SS**  trans-136.4157.5140.8-98.7158.9000108.6
724K23.4Very low27.1Very low176 Ų176142.1 Ų142.177%0.76575%0.751SS**  trans-99.4167.4-168.3-67.4177.31801730113.8
725S26.1Very low27.2Very low106 Ų106139 Ų13974%0.74175%0.748SS**  trans-59.5144.6166.753.40000115
726T25.2Very low27.1Very low127 Ų127136.6 Ų136.678%0.77974%0.742SS**  trans-161.4127.4134.223.40000111.2
727N24.1Very low27Very low145 Ų145135.7 Ų135.778%0.77575%0.746SS**  trans35.2163.6132.2-56.90.1000123.6
728L24Very low27Very low146 Ų146135.3 Ų135.376%0.76474%0.743SS**  trans82.385.4159.1-69147.2000118.1
729E22.9Very low26.6Very low162 Ų162135.8 Ų135.876%0.75774%0.738SS**  55.8109108.1-68.2-170.2156.500121.4
730T23.5Very low26.6Very low120 Ų120131 Ų13174%0.73673%0.73SS**  74.9165.7120.5-39.90000117.6
731I23.9Very low26.5Very low147 Ų147131 Ų13175%0.75473%0.725SS**  trans68.5114167.8-52.7-173.2000114
732N25.1Very low26.2Very low127 Ų127129.9 Ų129.968%0.67972%0.72SS**  cis-174.9-175.7-3.1-141.2-16.1000108.8
733I26.1Very low26Very low127 Ų127129.5 Ų129.565%0.65172%0.722SS**  trans54.5125.8139.1-71.5165.9000118.4
734N26.1Very low25.8Very low114 Ų114125.7 Ų125.761%0.6171%0.711SS**  cis-167.6158.80.5-120.8-7.9000110.7
735N26.9Very low26.1Very low134 Ų134124.2 Ų124.272%0.71771%0.709SS**  trans59.7144.6139.8-68.4-15.5000120.7
736S27.3Very low26.1Very low88 Ų88124.9 Ų124.962%0.61570%0.704SS**  cis-169.2141.6-4.240.50000112.9
737S26.8Very low26.2Very low105 Ų105125.1 Ų125.173%0.73470%0.7SS**  trans72.4154132.775.20000120.2
738S28.1Very low26.3Very low80 Ų80124.5 Ų124.556%0.55970%0.696SS**  cis-172.6172.6-27.158.70000110.4
739K26.4Very low26.5Very low176 Ų176122.2 Ų122.277%0.76569%0.692SS**  trans72.9117.8156.2-67.6155.8-166.1172.90114
740S28.2Very low26.7Very low96 Ų96119.6 Ų119.667%0.67169%0.691SS**  69.5158.455.988.70000111.7
741T27.4Very low27Very low112 Ų112122.3 Ų122.369%0.68770%0.695SS**  cis-149-177.823.8-19.20000107.1
742S27.1Very low27.1Very low97 Ų97122.6 Ų122.668%0.67870%0.698SS**  cis-162.8144.316.8-4.60000108.3
743L26.2Very low27.3Very low159 Ų159122.8 Ų122.883%0.83270%0.699SS**  61.3142.794.3-58.7172.7000115.1
744S26.6Very low27.4Very low95 Ų95123.6 Ų123.666%0.66470%0.704SS**  cis-150.7-169.2-4.449.40000108.2
745M29.8Very low27.6Very low146 Ų146123.8 Ų123.872%0.71971%0.71SS**  cis-133.6167.118.8-73-64.8-86.500108.8
746L26.2Very low27.9Very low120 Ų120123.5 Ų123.563%0.62872%0.715SS**  cis72.1130.943.3-62179.7000114.1I748L746-I748 HydrophobicContact CD2-CD1 3.66Å; L746-I748 HydrophobicContact CD2-CG1 4.36Å
747N28Very low27.8Very low132 Ų132126.8 Ų126.871%0.70673%0.725SS**  cis-125.4163.613.7-83.9-31.4000112
748I25.5Very low27.6Very low132 Ų132128.2 Ų128.268%0.67772%0.724SS**  cis72.1132.744.5-52.8176000110.9L746L746-I748 HydrophobicContact CD2-CD1 3.66Å; L746-I748 HydrophobicContact CD2-CG1 4.36Å
749S29.1Very low27.4Very low98 Ų98132.2 Ų132.269%0.68573%0.734SS**  cis-140159.128.9-160000113.2
750S26.3Very low27.2Very low106 Ų106129.9 Ų129.974%0.74174%0.738SS**  52.9146.689.384.60000116
751E30.1Very low27Very low177 Ų177129.8 Ų129.883%0.82774%0.738SS**  cis-137.7159.217.1-67.3173142.100109.8
752L26.6Very low26.9Very low153 Ų153129.6 Ų129.680%0.80174%0.736SS**  69.296.755.9-101.4171.5000116.1
753N27.9Very low26.7Very low132 Ų132131.6 Ų131.671%0.70674%0.739SS**  166.1143.3123.2-85.92.8000116.9
754D28Very low26.8Very low143 Ų143129.9 Ų129.977%0.76573%0.731SS**  trans65168.2141.4-59.6-31.8000125.3
755T30.3Very low26.7Very low118 Ų118133.1 Ų133.172%0.72473%0.733SS**  trans-96.5-170.6-167.255.60000112.8
756P34.7Very low26.7Very low128 Ų128131.8 Ų131.883%0.83173%0.729SS**  -131.5161.6117.537.5-31.7000114.9
757L24.7Very low26.7Very low157 Ų157131.8 Ų131.882%0.82273%0.73SS**  trans-107-177.1178.6-106171000112.2
758L22.4Very low26.7Very low136 Ų136132 Ų13271%0.71273%0.731SS**  trans-62.5153.3173.2-76.8135.3000114.8
759Q23.8Very low26.7Very low164 Ų164132 Ų13277%0.76673%0.731SS**  trans70.2138.5142.5-75.6171.3-6800122
760C22.9Very low26.6Very low126 Ų126133.7 Ų133.785%0.85173%0.731SS**  trans67.5138.3159.4-62.30000117.2
761S23Very low26.6Very low95 Ų95134.8 Ų134.866%0.66473%0.729SS**  cis-150.4166.720.464.10000114.5
762T24.7Very low26.5Very low107 Ų107131.4 Ų131.466%0.65673%0.725SS**  trans56.5119.2149.448.80000120.7
763N24.4Very low26.7Very low139 Ų139129.4 Ų129.474%0.74372%0.719SS**  43.9129.6119.9-49.8-9.7000117.9
764N26.7Very low26.7Very low124 Ų124127 Ų12766%0.66371%0.712SS**  cis-165170.133.2-129.8-20.9000110.4
765K25.9Very low26.8Very low163 Ų163128.7 Ų128.771%0.70971%0.714SS**  trans26.2132.9136.9-69.9178.8-174.2-173.70119.2
766D29.6Very low26.8Very low118 Ų118128.1 Ų128.163%0.63171%0.71SS**  cis-157.9150.127.2-103.5-31.4000113.4
767N26.7Very low26.6Very low120 Ų120128 Ų12864%0.64271%0.712SS**  trans42.9127.2132.9-51.6-31.9000121.4
768N26.5Very low26.9Very low137 Ų137124.4 Ų124.473%0.73370%0.7SS**  93.9148116-88.2-7.5000123.1
769I26.5Very low27.4Very low131 Ų131124.9 Ų124.967%0.67271%0.709SS**  trans82.495.4137.5-72.7166.3000118.5
770L26Very low27.6Very low133 Ų133123.5 Ų123.570%0.69671%0.707SS**  78.1110.6126.4-90.676.5000121.9
771N26.6Very low28Very low129 Ų129127.6 Ų127.669%0.6971%0.706SS**  67.9131.6106.2-69.47.4000123.2
772S29Very low28.4Very low107 Ų107128.8 Ų128.875%0.74871%0.709SS**  trans69.1162130.377.80000118.2
773T29.5Very low28.4Very low111 Ų111131.3 Ų131.368%0.68172%0.718SS**  cis-127.5141.68.332.80000108.5
774S29.6Very low28.7Very low80 Ų80130.4 Ų130.456%0.55972%0.723SS**  57.8145.366.676.90000113.5
775F28.6Very low28.6Very low180 Ų180134.1 Ų134.179%0.78973%0.733SS**  cis-137.8149.726.7-89.3-86000116.9
776T30.6Very low28.6Very low106 Ų106135 Ų13565%0.6575%0.745SS**  trans-20161.7148.161.90000120
777S31.6Very low28.4Very low125 Ų125133.6 Ų133.687%0.87474%0.744SS**  -135145.5110.467.10000110.7
778S30.8Very low28.3Very low82 Ų82134.3 Ų134.357%0.57375%0.748SS**  trans-163.8156.3-172.157.50000110.8
779T32.4Very low28.4Very low145 Ų145135.4 Ų135.489%0.8975%0.749SS**  trans-132.6141.9165.835.40000111.2
780N27.8Very low28.3Very low135 Ų135136.9 Ų136.972%0.72276%0.756SS**  trans-122-154.9-169.2-78.8-51.6000110.9
781Y31.7Very low28.2Very low213 Ų213139 Ų13984%0.83576%0.76SS**  trans97.5127.7163.6-66.6-89.7000116.4
782T30.6Very low28.1Very low119 Ų119136.7 Ų136.773%0.7375%0.754SS**  cis-160.2170-16-30000112
783N26.2Very low28Very low160 Ų160140.1 Ų140.186%0.85676%0.757SS**  trans-68.2148.5175.6-59.4-64.4000115
784S30.4Very low27.8Very low120 Ų120141.8 Ų141.884%0.83976%0.757SS**  trans-147.9154.7140.7720000110.6
785K24.5Very low27.7Very low203 Ų203144.6 Ų144.688%0.88377%0.771SS**  trans-95134.2-178.7-60.9171.9-178.5173.20110.2
786L26.1Very low27.5Very low180 Ų180141.6 Ų141.694%0.94276%0.762SS**  trans-154.9173143-137.768.8000112.2
787S25Very low27.3Very low90 Ų90141.4 Ų141.463%0.62977%0.771SS**  trans-91.6157.6-161.254.90000115.5
788N24.7Very low27Very low134 Ų134142.1 Ų142.172%0.71776%0.764SS**  trans47.894.6146.3-61.69.2000117.6
789H27.6Very low26.9Very low161 Ų161141.1 Ų141.175%0.74577%0.767SS**  -153121.5107.9-116.9-77.1000111.1K791H789-K791 VanDerWaalsContact C-N 3.32Å; H789-K791 PolarHBondContact O-N 2.74Å
790I25.6Very low26.6Very low162 Ų162139.3 Ų139.383%0.83176%0.756SS**  trans-71.598158.4-61.2172.2000105.2
791K24.4Very low26.5Very low177 Ų177138.1 Ų138.177%0.7775%0.749SS**  trans-90.195.6160.7-83.2-167.4172.7-175.40107.9H789 H793H789-K791 VanDerWaalsContact C-N 3.32Å; H789-K791 PolarHBondContact O-N 2.74Å; K791-H793 PolarHBondContact O-N 2.77Å; K791-H793 VanDerWaalsContact O-N 3.17Å
792S23.7Very low26.3Very low80 Ų80135.7 Ų135.756%0.55974%0.743SS**  trans-46.2116.6153.637.90000108.9E794S792-E794 PolarHBondContact O-N 2.65Å
793H27Very low26.2Very low179 Ų179134.9 Ų134.983%0.82973%0.733SS**  trans-76.380.4151.3-94.7-69000107.6K791 V795K791-H793 PolarHBondContact O-N 2.77Å; K791-H793 VanDerWaalsContact O-N 3.17Å; H793-V795 PolarHBondContact O-N 2.75Å
794E23.9Very low26.3Very low146 Ų146131.8 Ų131.868%0.68272%0.722SS**  trans-55.799.1149.3-70.7176.399.700107.1S792 I796S792-E794 PolarHBondContact O-N 2.65Å; E794-I796 HydrophobicContact CB-CG1 4.37Å; E794-I796 PolarHBondContact O-N 3.03Å
795V27.5Very low26.4Very low139 Ų139132.3 Ų132.384%0.84272%0.722SS**  trans-72.889.5151.4179.90000104.5H793 A797H793-V795 PolarHBondContact O-N 2.75Å; V795-A797 PolarHBondContact O-N 3.47Å
796I24.8Very low26.6Very low118 Ų118128.5 Ų128.561%0.60572%0.716SS**  trans-44.8132-169.7-60169.3000110.2E794 L798E794-I796 HydrophobicContact CB-CG1 4.37Å; E794-I796 PolarHBondContact O-N 3.03Å; I796-L798 HydrophobicContact CG2-CD2 4.47Å; I796-L798 HydrophobicContact CG2-CG 4.11Å; I796-L798 PolarHBondContact O-N 2.9Å
797A26.5Very low26.9Very low102 Ų102129.2 Ų129.284%0.84371%0.712SS**  trans-68.576.9170.500000110.3V795 G799V795-A797 PolarHBondContact O-N 3.47Å; A797-G799 PolarHBondContact O-N 3.41Å
798L25.6Very low27.1Very low139 Ų139130.5 Ų130.573%0.72872%0.718SS**  trans-72.865.1174.3-83.1173.8000111.3I796 T800I796-L798 HydrophobicContact CG2-CD2 4.47Å; I796-L798 HydrophobicContact CG2-CG 4.11Å; I796-L798 PolarHBondContact O-N 2.9Å; L798-T800 PolarHBondContact O-N 3.4Å; L798-T800 VanDerWaalsContact O-N 3.15Å
799G29.6Very low27.8Very low61 Ų61130.4 Ų130.463%0.62972%0.724SS**  trans-67.3103.3159.700000109.5A797A797-G799 PolarHBondContact O-N 3.41Å
800T26Very low27.9Very low107 Ų107126.7 Ų126.766%0.65673%0.729SS**  trans-123.277.5169.630.80000110.7L798 K802L798-T800 PolarHBondContact O-N 3.4Å; L798-T800 VanDerWaalsContact O-N 3.15Å; T800-K802 PolarHBondContact O-N 3.27Å
801L25.3Very low28Very low111 Ų111122.5 Ų122.558%0.58173%0.726SS**  trans1.7110.8138.3-71.2159.7000114.5Y692 I803Y692-L801 HydrophobicContact CE1-CD1 4.08Å; L801-I803 HydrophobicContact CB-CD1 4Å; L801-I803 HydrophobicContact CB-CG1 4.08Å; L801-I803 HydrophobicContact CD1-CD1 3.98Å; L801-I803 HydrophobicContact CD2-CD1 4.28Å; L801-I803 HydrophobicContact CD2-CG1 4.48Å; L801-I803 HydrophobicContact CG-CD1 4.32Å; L801-I803 PolarHBondContact O-N 2.86Å
802K27.3Very low28.3Very low162 Ų162120.6 Ų120.670%0.70473%0.734SS**  trans-80.454.5166-152.9175.4-170.2176.50111.2T800 S849 C850T800-K802 PolarHBondContact O-N 3.27Å; K802-S849 PolarHBondContact NZ-OG 3.21Å; K802-C850 PolarHBondContact NZ-SG 3.43Å; K802-C850 VanDerWaalsContact NZ-SG 3.41Å
803I28.6Very low28.7Very low102 Ų102123.2 Ų123.252%0.52375%0.746SS.*  trans-61.2135.4161.2-71.3166.6000106.9L801L801-I803 HydrophobicContact CB-CD1 4Å; L801-I803 HydrophobicContact CB-CG1 4.08Å; L801-I803 HydrophobicContact CD1-CD1 3.98Å; L801-I803 HydrophobicContact CD2-CD1 4.28Å; L801-I803 HydrophobicContact CD2-CG1 4.48Å; L801-I803 HydrophobicContact CG-CD1 4.32Å; L801-I803 PolarHBondContact O-N 2.86Å
804P28.1Very low29Very low95 Ų95120.2 Ų120.262%0.61774%0.742SS**  trans-65.3147179.227.6-35.2000111.2T806P804-T806 PolarHBondContact O-N 3.23Å; P804-T806 VanDerWaalsContact O-N 3.12Å
805P31.6Very low29.3Very low130 Ų130117.4 Ų117.484%0.84474%0.739SS**  trans-68.5111.3-175.327.2-34.6000111.9
806T29Very low29.5Very low123 Ų123117.7 Ų117.776%0.75573%0.731SS**  trans-87.6109.2173.448.10000111.2P804P804-T806 PolarHBondContact O-N 3.23Å; P804-T806 VanDerWaalsContact O-N 3.12Å
807K32.2Very low29.9Very low196 Ų196118.8 Ų118.885%0.85273%0.733SS**SBendtrans73144.7178.2-59.1-177.8177.71790116.3
808P30.9Very low30.2Very low117 Ų117120.4 Ų120.476%0.7673%0.726SS**PPolyproline II helixtrans-98.8157.917938.3-34.5000113.5
809P37.8Very low30.5Very low131 Ų131118.1 Ų118.185%0.85172%0.722SS**PPolyproline II helixtrans-77.8137.2160.932.8-31.9000110.7
810G30.1Very low30.5Very low83 Ų83122.3 Ų122.386%0.85673%0.73SS**PPolyproline II helixtrans-92.8171.4-179.200000114.4
811G28.3Very low30.8Very low74 Ų74125.3 Ų125.376%0.76374%0.737SS**  trans-172.288.8177.700000113.9
812C31.5Very low31.1Very low137 Ų137125.2 Ų125.293%0.92674%0.741SS**  trans65.5132.4167.1-59.80000119.3
813V31.8Very low31.1Very low136 Ų136124.6 Ų124.682%0.82475%0.745SS**  trans-116.5167169-144.60000107.3
814P32.1Very low31.1Very low115 Ų115124.6 Ų124.675%0.74775%0.754SS**  -142.3155.182.226.1-3.7000116.3
815S31.1Very low31.1Very low87 Ų87127.3 Ų127.361%0.60876%0.763SS**  trans31.4144.3131.8-65.70000122.6
816E31.7Very low30.8Very low146 Ų146128.9 Ų128.968%0.68276%0.763SS**  cis-167176.3-2.9-125.9157.3151.900114.6
817H33.4Very low30.9Very low140 Ų140128.1 Ų128.165%0.64876%0.76SS**  trans78.2111.2146.7-70.4-23.4000124.3
818I31.8Very low30.7Very low136 Ų136123.9 Ų123.970%0.69775%0.754SS**  91.2118.2113.2-72.8172.3000121.6
819S31.5Very low30.6Very low91 Ų91123.4 Ų123.464%0.63675%0.745SS**  trans49.4148.7140.381.10000123.1
820D30.7Very low30.2Very low149 Ų149123.9 Ų123.980%0.79774%0.736SS**  cis-167.6-172.2-20.6-108.8-51.2000110.2
821E32.4Very low30.1Very low171 Ų171124 Ų12480%0.79972%0.716SS**  trans81.9106.6150.5-88.7177.3-157.700121.8
822T31.7Very low30.2Very low108 Ų108125.9 Ų125.966%0.66370%0.701SS**  61.1105.5124.851.70000123.2
823D27.9Very low30.3Very low149 Ų149123.6 Ų123.680%0.79768%0.675SS**  73.7150.3117.4-70.7-39.7000126
824S27.7Very low30.3Very low103 Ų103122.1 Ų122.172%0.7267%0.667SS**  trans89.4112.7154.176.10000121.1
825L27.5Very low30.2Very low151 Ų151122.8 Ų122.879%0.79166%0.664SS**  trans62.985.3131.7-57.9175000121.8
826L26.6Very low30.1Very low163 Ų163126.5 Ų126.585%0.85368%0.675SS**  64.9163121.9-69.8170.6000120.3
827P31.1Very low30.1Very low107 Ų107123.2 Ų123.270%0.69568%0.681SS**  trans-129.1167.2-144.343.2-30.8000117.2
828C26.3Very low29.7Very low107 Ų107122.4 Ų122.472%0.72369%0.691SS**  -172.4117.3124.5-100.10000116.7
829N29.1Very low29.7Very low107 Ų107121.7 Ų121.757%0.57270%0.698SS**  trans59.7156.2132-63.4-44.4000124.9
830H30.1Very low29.4Very low141 Ų141122.9 Ų122.965%0.65371%0.706SS**  trans81.3140162.8-57.5-82.8000118.6
831L28.6Very low29.2Very low85 Ų85122.4 Ų122.445%0.44571%0.709SS.*  cis-166153.8-15.5-117.1176.4000112.9K885L831-K885 HydrophobicContact CD2-CB 4.01Å
832Y30.3Very low28.9Very low115 Ų115119.2 Ų119.245%0.45171%0.705SS.*  trans60.9156.5161.3-62.7-47.1000118K885 R886Y832-K885 VanDerWaalsContact CE1-O 3.31Å; Y832-K885 WeakPolarHBondContact CE1-O 3.47Å; Y832-R886 HydrophobicContact CE1-CB 4.34Å
833K32.1Very low28.7Very low88 Ų88121.4 Ų121.438%0.38371%0.712SS.*  cis-157.9-168.7-20.3-116.7164.9-178.6168.80107.2R886K833-R886 WeakPolarHBondContact CE-O 3.09Å; K833-R886 PolarHBondContact NZ-O 2.78Å
834T32.5Very low28.7Very low105 Ų105119.4 Ų119.464%0.64471%0.707SS**  cis-160.3174.113.1-16.70000111.3
835N30.8Very low28.5Very low130 Ų130121.9 Ų121.970%0.69571%0.712SS**  trans66114.7148.2-72.52.2000125.1
836I29.2Very low28.6Very low164 Ų164122 Ų12284%0.84171%0.712SS**  65.3123.2125.6-55165.9000119.9
837G30.7Very low28.6Very low77 Ų77119.2 Ų119.279%0.79470%0.704SS**  trans170126.1161.100000112.2
838S25.9Very low28.4Very low123 Ų123122 Ų12286%0.8671%0.712SS**  trans-124.9122.8-174.3580000113.1
839S30.2Very low28.2Very low122 Ų122120 Ų12085%0.85370%0.699SS**  trans-158.5147.1166.555.20000112.1
840S25.7Very low28Very low115 Ų115119.5 Ų119.580%0.80470%0.703SS**  trans-91.6137.5179.651.50000113.1
841V27.6Very low27.8Very low140 Ų140120.3 Ų120.385%0.84871%0.71SS**  trans-138.2150.9160.6-176.40000109.5
842S25.7Very low27.8Very low104 Ų104121.2 Ų121.273%0.72772%0.715SS**PPolyproline II helixtrans-81.5167.6-170.650.50000115.7
843L27.5Very low27.8Very low154 Ų154119.8 Ų119.881%0.80672%0.72SS**PPolyproline II helixtrans-62.1153.3165.1-71.479.2000111.8
844P26.9Very low27.6Very low106 Ų106126.3 Ų126.369%0.68874%0.742SS**PPolyproline II helixtrans-99.1144.414034.6-28.4000111.3
845N24.9Very low27.6Very low156 Ų156124.3 Ų124.383%0.83473%0.729SS**PPolyproline II helixtrans-77136.4168.6-69.3-57.3000110.2
846I29.7Very low27.5Very low153 Ų153121.3 Ų121.379%0.78572%0.716SS**  trans-136.1119.3165.5-56.8-179.4000108.3
847P25.5Very low27.5Very low104 Ų104116.4 Ų116.468%0.67570%0.696SS**  trans-83.5159.1169.935.5-33.8000110.7
848L26.9Very low27.7Very low167 Ų167120.1 Ų120.187%0.87469%0.693SS**  trans171.5162.8131.7-93159.1000114.4
849S22.8Very low27.9Very low65 Ų65117.2 Ų117.246%0.45568%0.682SS.*  trans-69.4161.4-176.162.50000117.5K802K802-S849 PolarHBondContact NZ-OG 3.21Å
850C24.2Very low27.7Very low96 Ų96117.3 Ų117.365%0.64968%0.681SS**  trans69.9137.8159.2-51.40000114.9K802K802-C850 PolarHBondContact NZ-SG 3.43Å; K802-C850 VanDerWaalsContact NZ-SG 3.41Å
851I26.1Very low27.9Very low157 Ų157119.3 Ų119.381%0.80568%0.682SS**  -158138.463.4-81156.6000109.5
852I29.5Very low27.8Very low104 Ų104118 Ų11853%0.53367%0.674SS.*PPolyproline II helixtrans-93.8140161.8-64.5175.1000106.7R854I852-R854 PolarHBondContact O-N 3.36Å
853P29.6Very low27.8Very low86 Ų86119.9 Ų119.956%0.55868%0.676SS**PPolyproline II helixtrans-58.9120.8177.624-34.2000110.9F1339P853-F1339 HydrophobicContact CB-CE1 4.23Å; P853-F1339 HydrophobicContact CG-CE1 4.34Å; P853-F1339 HydrophobicContact CG-CZ 4.37Å
854R27.8Very low27.7Very low224 Ų224119.3 Ų119.385%0.84567%0.673SS**PPolyproline II helixtrans-72.3125.7171.9-84.2178.6164.9162.6-7.6109.5I852 V856I852-R854 PolarHBondContact O-N 3.36Å; R854-V856 HydrophobicContact CB-CG2 4.34Å
855V31.8Very low27.6Very low63 Ų63118.8 Ų118.838%0.38267%0.672SS.*PPolyproline II helixtrans-91.5125.5154.9-179.90000106.6
856V29.4Very low27.7Very low68 Ų68114.6 Ų114.641%0.41266%0.655SS.*  trans-98.6110.6-170.8175.40000110.4R854R854-V856 HydrophobicContact CB-CG2 4.34Å
857S30.1Very low27.5Very low61 Ų61113.1 Ų113.143%0.42765%0.652SS.*  trans48.8173.7147.877.70000119Y1405S857-Y1405 PolarHBondContact O-OH 2.94Å; S857-Y1405 VanDerWaalsContact O-OH 3.08Å
858E34.9Very low27.6Very low155 Ų155114.2 Ų114.272%0.72465%0.653SS**  cis-147.617511-155.6134.2-67.400112.5
859G28.2Very low27.5Very low61 Ų61113 Ų11363%0.62964%0.642SS**  trans-135.3132.2164.400000108.5
860C28Very low27.7Very low125 Ų125119 Ų11985%0.84566%0.66SS**  trans-57.3142.3-162.4-60.50000115.5
861L28Very low27.6Very low156 Ų156118.7 Ų118.782%0.81766%0.66SS**  -172.190.2124.3-101.6169.1000113.6
862T25.9Very low27.6Very low112 Ų112122.3 Ų122.369%0.68766%0.663SS**  trans37.4131.8143.862.20000122.8
863N26.1Very low27.4Very low144 Ų144122.3 Ų122.377%0.7767%0.672SS**  110.5121.4129.5-86.3-22.9000122.9
864I25.4Very low27.2Very low143 Ų143127.9 Ų127.973%0.73369%0.688SS**  trans86.877.4142.9-57.5162.8000119.5
865S25.1Very low27.2Very low95 Ų95122.9 Ų122.966%0.66469%0.687SS**  21.2126.1128.664.50000122.8
866S27Very low26.9Very low68 Ų68130.4 Ų130.448%0.47671%0.709SS.*  -174.9136.2101.42.10000109.7R586R586-S866 PolarHBondContact NH1-OG 3.09Å; R586-S866 PolarHBondContact NH2-OG 3.39Å
867V26.1Very low26.8Very low122 Ų122139.1 Ų139.174%0.73973%0.734SS**  54.6115.182.5-177.90000110.9
868D26.8Very low26.6Very low127 Ų127146.3 Ų146.368%0.67975%0.752SS**  -153.9176.850.4-134.9-27.8000117.8
869Q25.1Very low26.1Very low141 Ų141145.5 Ų145.566%0.65976%0.757SS**  trans-30.3145.9175-65.1150.367.600119.7
870F26Very low26Very low190 Ų190151.8 Ų151.883%0.83377%0.767SS**  -168.916297.4-118.1-89.3000114.8
871S23.7Very low25.9Very low91 Ų91152 Ų15264%0.63677%0.765SS**  trans-96.1177.3-18065.10000111.7
872W25.2Very low26Very low233 Ų233156.1 Ų156.188%0.88377%0.769SS**  cis-162-175.310-152.744.4000112.6
873S25.7Very low26Very low103 Ų103158 Ų15872%0.7278%0.775SS**  trans82.5151.1154.684.10000120.1
874K25.8Very low26.1Very low204 Ų204157.1 Ų157.189%0.88777%0.77SS**  trans-120.3154.5-177.5-62.9159.6-179.9160.90108.5
875S26.4Very low26.2Very low118 Ų118156.5 Ų156.583%0.82576%0.762SS**  trans-138.4123154.5-166.50000111.9
876R26.3Very low26.3Very low222 Ų222161.2 Ų161.284%0.83877%0.765SS**  trans-106.2116.9173.1-79.2179.3166.3179.9-4.5108.7R878R876-R878 PolarHBondContact O-N 3.38Å
877R27Very low26.3Very low250 Ų250164.2 Ų164.294%0.94378%0.776SS**  trans-86.8103.5160-81.1-170.6171-178.6-1.5109.9
878R25.2Very low26.3Very low212 Ų212166.1 Ų166.180%0.878%0.776SS**  trans-98.9103.1-178.7-163.9-175.6-162.9179.44.6109.2R876R876-R878 PolarHBondContact O-N 3.38Å
879V25.7Very low26.3Very low139 Ų139168 Ų16884%0.84278%0.783SS**  trans-72.3130174.5179.10000109.6
880K24.5Very low26.4Very low193 Ų193167.8 Ų167.884%0.83979%0.785SS**  trans-98.1114.4-174.6-68.2174.9176.9174.10112.1
881V27.2Very low26.3Very low130 Ų130162.2 Ų162.279%0.78878%0.775SS**  trans-143.597.5156.7-171.60000106.9
882R29.1Very low26.5Very low241 Ų241162 Ų16291%0.90978%0.779SS**  66.3116.186.1-80.3-175.4166.2145.6-3.9114.5
883N26.6Very low26.6Very low151 Ų151159.7 Ų159.781%0.80777%0.77SS**  trans-71.8144.8178.7-78.1-39.5000113
884L28.2Very low26.7Very low126 Ų126164.5 Ų164.566%0.6678%0.778SS**  trans-141.3113.4160.6-140.680.4000110.9
885K28Very low26.9Very low130 Ų130158.1 Ų158.157%0.56576%0.759SS**  trans-83.6153.6169.5-87.4-179.1173.4176.70110.2L831 Y832L831-K885 HydrophobicContact CD2-CB 4.01Å; Y832-K885 VanDerWaalsContact CE1-O 3.31Å; Y832-K885 WeakPolarHBondContact CE1-O 3.47Å
886R27.5Very low26.8Very low194 Ų194162.1 Ų162.173%0.73276%0.757SS**SBendtrans44.692.9165.7-73-178.6167.9135.8-3.8116.5Y832 K833Y832-R886 HydrophobicContact CE1-CB 4.34Å; K833-R886 WeakPolarHBondContact CE-O 3.09Å; K833-R886 PolarHBondContact NZ-O 2.78Å
887N26Very low26.9Very low131 Ų131157.1 Ų157.170%0.70176%0.755SS**  17791.7115.9-87.99.7000110.9
888H27.4Very low26.8Very low162 Ų162147.4 Ų147.475%0.7573%0.725SS**  trans-158.239.4155-110.4-59.5000113.4
889M26.8Very low27Very low167 Ų167144.4 Ų144.482%0.82372%0.721SS**  trans-59.1155141.8-74.6-17477.400108.1
890L25.6Very low27.1Very low136 Ų136144.4 Ų144.471%0.71272%0.715SS**SBendtrans72.842.7-170.3-50170.4000115.3
891A25.4Very low27.2Very low74 Ų74141.1 Ų141.161%0.61270%0.701SS**SBendtrans-127.4-37.9159.100000113.1R893A891-R893 VanDerWaalsContact C-N 3.33Å
892A27.9Very low27.2Very low87 Ų87136.7 Ų136.772%0.71967%0.674SS**SBendtrans-81.6-5.3174.300000114.4K894A892-K894 PolarHBondContact O-N 3.44Å
893R27.3Very low27.2Very low183 Ų183129.8 Ų129.869%0.69165%0.649SS**THydrogen-bonded Turntrans-75.625.6-177.1-134.9173.3-170.9172.13.3113.7A891A891-R893 VanDerWaalsContact C-N 3.33Å
894K26.7Very low27.5Very low205 Ų205124.5 Ų124.589%0.89162%0.622SS**THydrogen-bonded Turntrans-136.341.7174.4-80.3-165.2172.6-176.60113.5A892A892-K894 PolarHBondContact O-N 3.44Å
895S29.1Very low27.8Very low69 Ų69119.9 Ų119.948%0.48360%0.602SS.*  trans-142.723.9148.6-148.10000113.8C897 S898S895-C897 PolarHBondContact O-N 2.92Å; S895-S898 PolarHBondContact O-N 3.01Å; S895-S898 PolarHBondContact O-OG 3.15Å; S895-S898 VanDerWaalsContact O-OG 3.1Å; S895-S898 PolarHBondContact OG-OG 3.13Å
896Y26.3Very low28Very low202 Ų202115.5 Ų115.579%0.79258%0.584SS**THydrogen-bonded Turntrans-70.263.5169.5-90.9-101.2000111
897C26.8Very low28.3Very low117 Ų117107.5 Ų107.579%0.79156%0.556SS**THydrogen-bonded Turntrans-167.5-6.5172.5-162.90000112.3S895S895-C897 PolarHBondContact O-N 2.92Å
898S26.2Very low28.7Very low47 Ų47103.6 Ų103.633%0.32954%0.542SS..SBendtrans-101.4-24.9-171.861.70000115R272 S895 L900R272-S898 PolarHBondContact NH2-O 3.07Å; S895-S898 PolarHBondContact O-N 3.01Å; S895-S898 PolarHBondContact O-OG 3.15Å; S895-S898 VanDerWaalsContact O-OG 3.1Å; S895-S898 PolarHBondContact OG-OG 3.13Å; S898-L900 VanDerWaalsContact C-N 3.3Å; S898-L900 PolarHBondContact O-N 3.41Å
899Q27.9Very low29.2Very low149 Ų14998.8 Ų98.870%0.69652%0.518SS*.THydrogen-bonded Turntrans-82.17-173.6-68.8177.2-50.200115.2
900L27.7Very low29.5Very low138 Ų13894.4 Ų94.472%0.72350%0.497SS*.THydrogen-bonded Turntrans-106.717.8-179.2-97.4165.3000113.9S898 Y903S898-L900 VanDerWaalsContact C-N 3.3Å; S898-L900 PolarHBondContact O-N 3.41Å; L900-Y903 HydrophobicContact CD2-CE2 4.12Å
901K26.7Very low29.9Very low125 Ų12589.6 Ų89.654%0.54348%0.475SS..SBendtrans-136.336.4-173.3-67.6-158.7171.2-161.40115.1L269L269-K901 VanDerWaalsContact CD2-O 3.32Å; L269-K901 WeakPolarHBondContact CD2-O 3.3Å
902T27.4Very low30.2Very low37 Ų3786.6 Ų86.623%0.22745%0.449CS..  trans-15078.6169.448.40000107.6E273E273-T902 HydrophobicContact CB-CG2 3.63Å; E273-T902 HydrophobicContact CG-CG2 3.85Å
903Y29Very low30.5Very low96 Ų9684.8 Ų84.838%0.37643%0.431SS..  trans-128-0.3-167.9-99.9-91.4000114.4L900 L907 L910L900-Y903 HydrophobicContact CD2-CE2 4.12Å; Y903-L907 HydrophobicContact CD1-CD1 4.32Å; Y903-L907 HydrophobicContact CD1-CD2 4.06Å; Y903-L907 HydrophobicContact CD1-CG 4.1Å; Y903-L907 HydrophobicContact CE1-CD2 4.39Å; Y903-L907 WeakPolarHBondContact O-CG 3.49Å; Y903-L910 HydrophobicContact CE1-CD1 4.42Å
904T33.9Very low30.6Very low39 Ų3979.3 Ų79.324%0.23942%0.421CS..THydrogen-bonded Turntrans-89-9.6-164.664.20000115.1R173 L269 L1293R173-T904 PolarHBondContact NH1-O 3.25Å; R173-T904 VanDerWaalsContact NH1-O 3.07Å; L269-T904 HydrophobicContact CD1-CG2 3.79Å; T904-L1293 HydrophobicContact CG2-CD1 4.15Å; T904-L1293 HydrophobicContact CG2-CD2 3.64Å; T904-L1293 HydrophobicContact CG2-CG 4.45Å
905A33.7Very low30.7Very low29 Ų2976.2 Ų76.224%0.2441%0.414CS..THydrogen-bonded Turntrans-121.6-15.7171.100000112.9
906D33.3Very low30.7Very low38 Ų3877.8 Ų77.820%0.20342%0.416CS..THydrogen-bonded Turntrans-89.2-7.6-177.4-58.2-52.8000114.1R350 Y909 L910R350-D906 IonicContact CZ-OD1 3.7Å; R350-D906 IonicContact CZ-OD2 3.98Å; R350-D906 IonicContact NE-OD1 2.81Å; R350-D906 PolarHBondContact NE-OD1 2.83Å; R350-D906 VanDerWaalsContact NE-OD1 3.15Å; R350-D906 IonicContact NH2-OD1 3.07Å; R350-D906 PolarHBondContact NH2-OD1 3.25Å; R350-D906 IonicContact NH2-OD2 2.77Å; R350-D906 PolarHBondContact NH2-OD2 3.37Å; D906-Y909 CarbonylContact O-C 3.57Å; D906-Y909 WeakPolarHBondContact O-CA 3.33Å; D906-Y909 VanDerWaalsContact O-CB 3.31Å; D906-Y909 WeakPolarHBondContact O-CB 3.23Å; D906-Y909 PolarHBondContact O-N 3.07Å; D906-L910 PolarHBondContact O-N 2.83Å
907L32.5Very low30.7Very low26 Ų2679.4 Ų79.414%0.13642%0.421CS..Hα-helixtrans-75.8-26.9172.9-71.2170.9000112.6Y903 Y909 L910 S911 V1290 L1293Y903-L907 HydrophobicContact CD1-CD1 4.32Å; Y903-L907 HydrophobicContact CD1-CD2 4.06Å; Y903-L907 HydrophobicContact CD1-CG 4.1Å; Y903-L907 HydrophobicContact CE1-CD2 4.39Å; Y903-L907 WeakPolarHBondContact O-CG 3.49Å; L907-Y909 PolarHBondContact O-N 3.11Å; L907-L910 HydrophobicContact CD2-CD1 4.18Å; L907-S911 WeakPolarHBondContact O-CB 3.35Å; L907-S911 PolarHBondContact O-N 3.29Å; L907-V1290 HydrophobicContact CB-CG1 4.38Å; L907-V1290 HydrophobicContact CB-CG2 4.49Å; L907-V1290 HydrophobicContact CD1-CG2 4.25Å; L907-V1290 HydrophobicContact CD2-CG2 4.2Å; L907-L1293 HydrophobicContact CD1-CB 3.89Å; L907-L1293 HydrophobicContact CD1-CD1 3.78Å; L907-L1293 HydrophobicContact CD1-CG 4.39Å
908A35.1Very low30.9Very low49 Ų4979.6 Ų79.641%0.40541%0.414SS..Hα-helixtrans-66.7-17.1161.400000113.6S911 S1294 V1297A908-S911 PolarHBondContact O-OG 2.75Å; A908-S1294 PolarHBondContact N-OG 2.9Å; A908-V1297 HydrophobicContact CB-CG2 3.86Å
909Y37.4Very low31Very low61 Ų6180 Ų8024%0.23943%0.426CS..Hα-helixtrans-100.2-33.1-173.1-178.8-85.8000112.6Q353 I354 K357 D906 L907Q353-Y909 HydrophobicContact CB-CE2 3.89Å; Q353-Y909 VanDerWaalsContact CD-OH 3.26Å; Q353-Y909 PolarHBondContact NE2-OH 2.67Å; Q353-Y909 PolarHBondContact OE1-OH 2.98Å; I354-Y909 HydrophobicContact CG1-CD2 4.03Å; K357-Y909 PolarHBondContact NZ-O 3.32Å; D906-Y909 CarbonylContact O-C 3.57Å; D906-Y909 WeakPolarHBondContact O-CA 3.33Å; D906-Y909 VanDerWaalsContact O-CB 3.31Å; D906-Y909 WeakPolarHBondContact O-CB 3.23Å; D906-Y909 PolarHBondContact O-N 3.07Å; L907-Y909 PolarHBondContact O-N 3.11Å
910L32.6Very low31.2Very low76 Ų7679.1 Ų79.140%0.39842%0.424SS..Hα-helixtrans-76.3-23.4172.3-75.6167.1000113.2Y903 D906 L907 S912 C913 L916Y903-L910 HydrophobicContact CE1-CD1 4.42Å; D906-L910 PolarHBondContact O-N 2.83Å; L907-L910 HydrophobicContact CD2-CD1 4.18Å; L910-S912 PolarHBondContact O-N 3.1Å; L910-C913 PolarHBondContact O-N 3.41Å; L910-L916 HydrophobicContact CD2-CD1 4.37Å
911S34.4Very low31.4Very low35 Ų3577.7 Ų77.725%0.24542%0.416CS..THydrogen-bonded Turntrans-63.2-19.8-176.665.60000114.5L907 A908 L1301L907-S911 WeakPolarHBondContact O-CB 3.35Å; L907-S911 PolarHBondContact O-N 3.29Å; A908-S911 PolarHBondContact O-OG 2.75Å; S911-L1301 WeakPolarHBondContact O-CD1 3.2Å; S911-L1301 WeakPolarHBondContact O-CD2 3.18Å
912S33.3Very low31.6Very low10 Ų1077.4 Ų77.47%0.0742%0.417CS..THydrogen-bonded Turntrans-98.219.9-178.1970000114.8K357 L910 S1321K357-S912 WeakPolarHBondContact CD-OG 3.43Å; K357-S912 VanDerWaalsContact CE-OG 3.26Å; K357-S912 WeakPolarHBondContact CE-OG 3.47Å; K357-S912 PolarHBondContact NZ-OG 2.81Å; L910-S912 PolarHBondContact O-N 3.1Å; S912-S1321 PolarHBondContact OG-O 3.11Å
913C32.3Very low31.7Very low49 Ų4980.8 Ų80.833%0.33143%0.434SS..  trans-104.4105.5177.6-72.40000111.3L910 D915 L916L910-C913 PolarHBondContact O-N 3.41Å; C913-D915 VanDerWaalsContact C-N 3.34Å; C913-D915 PolarHBondContact O-N 3.26Å; C913-L916 HydrophobicContact CB-CD1 3.99Å
914S29.8Very low31.8Very low69 Ų6983 Ų8348%0.48345%0.448SS..THydrogen-bonded Turntrans-66.7-23.7-17451.60000116
915D29.9Very low31.7Very low140 Ų14090.1 Ų90.175%0.74948%0.475SS*.THydrogen-bonded Turntrans-123.818.9-165.1-69.5-85.8000114.7C913 R917C913-D915 VanDerWaalsContact C-N 3.34Å; C913-D915 PolarHBondContact O-N 3.26Å; D915-R917 PolarHBondContact O-N 3.23Å; D915-R917 VanDerWaalsContact O-N 3.08Å
916L29.1Very low31.6Very low101 Ų10195.7 Ų95.753%0.52949%0.494SS..  trans-76.795.5177.1-106.4169.9000112L910 C913 L918L910-L916 HydrophobicContact CD2-CD1 4.37Å; C913-L916 HydrophobicContact CB-CD1 3.99Å; L916-L918 PolarHBondContact O-N 3.14Å
917R26.6Very low31.3Very low237 Ų23798.8 Ų98.889%0.89452%0.515SS*.  trans-63.888.2168-80.8-176.2165.3-169.6-4.5111.6D915 G919D915-R917 PolarHBondContact O-N 3.23Å; D915-R917 VanDerWaalsContact O-N 3.08Å; R917-G919 PolarHBondContact O-N 3Å
918L29.7Very low31.3Very low121 Ų121103.9 Ų103.963%0.63455%0.547SS*.  trans-77.215.1174.2-91.2162.4000114.9L916 I920 L921L916-L918 PolarHBondContact O-N 3.14Å; L918-I920 PolarHBondContact O-N 3.14Å; L918-L921 HydrophobicContact CD2-CD1 4.15Å
919G29.4Very low30.9Very low56 Ų56108.6 Ų108.658%0.57757%0.566SS**THydrogen-bonded Turntrans-73.816.7-177.900000116.6R917R917-G919 PolarHBondContact O-N 3Å
920I31.8Very low30.5Very low129 Ų129116.7 Ų116.766%0.66260%0.597SS**THydrogen-bonded Turntrans-105.1-23.4-178.5-63.9177.9000111.9L918L918-I920 PolarHBondContact O-N 3.14Å
921L31.1Very low30.3Very low108 Ų108121.1 Ų121.157%0.56562%0.616SS**THydrogen-bonded Turntrans-89.2-16.2-174-78.6168.7000115.5L918L918-L921 HydrophobicContact CD2-CD1 4.15Å
922E31.3Very low29.8Very low119 Ų119124.8 Ų124.856%0.55664%0.638SS**THydrogen-bonded Turntrans-87-31.4-179.7-66.7-173.5118.500113.5K926E922-K926 PolarHBondContact O-N 2.98Å
923N29.7Very low29.5Very low108 Ų108132.5 Ų132.558%0.57868%0.678SS**Hα-helixtrans-80.4-37.7-180-78.5-23.8000113.1F925 K926 T927N923-F925 PolarHBondContact O-N 3.35Å; N923-F925 VanDerWaalsContact O-N 3.14Å; N923-K926 PolarHBondContact O-N 2.77Å; N923-T927 PolarHBondContact O-N 3.03Å; N923-T927 PolarHBondContact O-OG1 2.91Å
924E30.4Very low29.3Very low143 Ų143134.9 Ų134.967%0.66870%0.696SS**Hα-helixtrans-62.8-21.2176.7-72.2-159.2141.700113.1
925F31.2Very low29.2Very low188 Ų188139.3 Ų139.383%0.82571%0.712SS**Hα-helixtrans-93.5-13.7173.1-90-80.6000115.1N923N923-F925 PolarHBondContact O-N 3.35Å; N923-F925 VanDerWaalsContact O-N 3.14Å
926K31.6Very low29Very low146 Ų146139.1 Ų139.164%0.63571%0.711SS**Hα-helixtrans-104.4-9.4178.3-76.1-174.3173.2-177.80114E922 N923 D1217E922-K926 PolarHBondContact O-N 2.98Å; N923-K926 PolarHBondContact O-N 2.77Å; K926-D1217 IonicContact NZ-OD2 3.52Å; K926-D1217 PolarHBondContact NZ-OD2 3.47Å
927T28.7Very low29Very low103 Ų103140.9 Ų140.963%0.63272%0.721SS**SBendtrans-134.776177.460.60000115.8N923N923-T927 PolarHBondContact O-N 3.03Å; N923-T927 PolarHBondContact O-OG1 2.91Å
928T31.2Very low29Very low133 Ų133134.7 Ų134.782%0.81671%0.714SS**  trans-148.7103.3146.410.70000110.6Y930T928-Y930 PolarHBondContact O-N 3.14Å
929N27.4Very low28.8Very low148 Ų148137.6 Ų137.679%0.79172%0.722SS**  trans-70.1127.1178.4-67.9-44.1000111.4
930Y29Very low28.6Very low232 Ų232140.6 Ų140.691%0.9173%0.729SS**  trans-142.3136.5135.8-101.9-75.1000109.6T928T928-Y930 PolarHBondContact O-N 3.14Å
931H28Very low28.3Very low168 Ų168141.8 Ų141.878%0.77873%0.734SS**  trans-70.4145.8-164.9-102.2-103.2000113.8
932P25.3Very low28Very low112 Ų112143.3 Ų143.373%0.72774%0.741SS**  trans-71.8142.1161.332.5-33.4000110.1
933L27Very low27.7Very low172 Ų172142 Ų14290%0.90175%0.745SS**  trans-110.4104.2162.9-86.9167.1000108.9
934S26.3Very low27.4Very low100 Ų100144.2 Ų144.270%0.69976%0.757SS**  trans-65.4156.2159.354.60000110.6
935I28.3Very low27.3Very low162 Ų162141.7 Ų141.783%0.83176%0.76SS**  -164.7139121.6-98.6150.1000107.8
936N26.5Very low27.2Very low136 Ų136138.2 Ų138.273%0.72776%0.759SS**  trans-92.2173.1176-112.218000110.4
937D28.7Very low27.1Very low137 Ų137138 Ų13873%0.73376%0.764SS**  trans71.3109.7157.2-54.9-35.2000119.8
938S26.6Very low27.2Very low108 Ų108138.9 Ų138.976%0.75577%0.771SS**  91.8122.812975.80000121.3
939F25.5Very low27Very low182 Ų182139.2 Ų139.280%0.79877%0.768SS**  trans63.195.7136.4-84.3-97000122.4
940T24.7Very low27.2Very low119 Ų119137.5 Ų137.573%0.7377%0.768SS**  77.3163.3124.357.10000122
941M25.6Very low27.1Very low153 Ų153131.3 Ų131.375%0.75476%0.759SS**  trans75.575.3163.1-70.6-65.6160.700119.7
942I24.3Very low27.2Very low141 Ų141133.8 Ų133.872%0.72377%0.767SS**  61.5130.2107.8-69.3-179.1000119.1
943S24.8Very low27.2Very low92 Ų92134.6 Ų134.664%0.64376%0.762SS**  trans93.5121.4146.570.30000121.4
944N25.3Very low27.5Very low153 Ų153131.9 Ų131.982%0.81876%0.757SS**  75.697.4127.8-62.4-2.4000122.1
945A26.6Very low27.5Very low90 Ų90134.3 Ų134.374%0.74476%0.755SS**  107.5168.9100.100000119.5
946S29.7Very low27.6Very low115 Ų115136 Ų13680%0.80476%0.756SS**  trans80.587.3167.1-34.90000118.1
947I29.2Very low27.5Very low142 Ų142139.4 Ų139.473%0.72876%0.759SS**  trans-52.2159.8146-22.1176.1000110
948P31.1Very low27.5Very low121 Ų121139.2 Ų139.279%0.78676%0.757SS**  -139166.7107.936-23.7000115.7
949N27.9Very low27.6Very low141 Ų141139.9 Ų139.975%0.75476%0.757SS**  trans-90.7155-172-50.8-71.6000113.9
950S31.1Very low27.6Very low112 Ų112140.2 Ų140.278%0.78376%0.758SS**  -166.4118129.954.20000109.1
951S25.8Very low27.9Very low102 Ų102139.7 Ų139.771%0.71376%0.759SS**  cis76.9106.342.183.90000114.8
952F30.4Very low28.1Very low219 Ų219137.4 Ų137.496%0.96176%0.758SS**  trans-142.7126.7150.4-126.5-83.2000110.2
953E26.7Very low28.3Very low130 Ų130135.7 Ų135.761%0.60775%0.754SS**  trans-105.5148.3-179.1-68.6-172.496.600112.4K955E953-K955 WeakPolarHBondContact OE1-CD 3.41Å; E953-K955 WeakPolarHBondContact OE1-CE 3.12Å; E953-K955 IonicContact OE1-NZ 2.66Å; E953-K955 PolarHBondContact OE1-NZ 3.36Å; E953-K955 IonicContact OE2-NZ 2.74Å; E953-K955 PolarHBondContact OE2-NZ 3.42Å
954S32.2Very low28.5Very low115 Ų115138.5 Ų138.580%0.80476%0.761SS**  -167.9114.8128.755.20000109
955K25.9Very low28.7Very low150 Ų150138.2 Ų138.265%0.65276%0.758SS**  74139.754.4-75.8175.9158.2148.60114.8E953E953-K955 WeakPolarHBondContact OE1-CD 3.41Å; E953-K955 WeakPolarHBondContact OE1-CE 3.12Å; E953-K955 IonicContact OE1-NZ 2.66Å; E953-K955 PolarHBondContact OE1-NZ 3.36Å; E953-K955 IonicContact OE2-NZ 2.74Å; E953-K955 PolarHBondContact OE2-NZ 3.42Å
956K30.8Very low28.7Very low198 Ų198138.1 Ų138.186%0.86175%0.752SS**  trans82.8143.1172.5-59.3172-177.4172.50115.8
957R25.6Very low28.8Very low207 Ų207138.7 Ų138.778%0.78175%0.751SS**  cis-173.6144.4-18.7-120.4-175.6162-166.8-2.8109.5
958L27.1Very low28.7Very low134 Ų134137.9 Ų137.970%0.70275%0.748SS**  trans63.3162.8151.3-54165.9000116.5
959T29.9Very low28.8Very low121 Ų121140.6 Ų140.674%0.74275%0.75SS**  cis-147161.8-1.6-16.10000112.7
960K25.1Very low28.8Very low190 Ų190140.3 Ų140.383%0.82674%0.744SS**  trans-38146.5169.1-56169.8176.3-178.70117.5
961S30.4Very low28.6Very low108 Ų108142.5 Ų142.576%0.75574%0.74SS**  172.9106.2120.2-84.20000108.6
962S30.4Very low28.8Very low104 Ų104144.3 Ų144.373%0.72774%0.74SS**  77.914588.679.60000112.6
963T29Very low28.5Very low106 Ų106140.8 Ų140.865%0.6573%0.731SS**  cis-163123.726.7-46.60000112.2
964I28.1Very low28.7Very low151 Ų151142.2 Ų142.277%0.77474%0.742SS**  trans59.6149.6144.8-59.1176.2000119
965L29.1Very low28.3Very low146 Ų146145.8 Ų145.876%0.76474%0.744SS**  cis-111141.9-3.3-79.499.6000109.1
966S27Very low28.5Very low89 Ų89143.3 Ų143.362%0.62274%0.743SS**  50.6134.273.271.70000115.6
967T31.8Very low28.3Very low126 Ų126138.4 Ų138.477%0.77373%0.734SS**  cis-127.4143.317.848.40000111.4
968N28.3Very low28.4Very low125 Ų125139 Ų13967%0.66874%0.736SS**  59.2135.272.6-60.133.7000112.5
969E32.6Very low28.3Very low179 Ų179139 Ų13984%0.83674%0.736SS**  cis-123.7152.613.5-62.9168.7154.700110
970E27Very low28.1Very low134 Ų134138.9 Ų138.963%0.62674%0.735SS**  66.5138.753.6-78.2-177.1156.500113.6
971F27.1Very low28.1Very low158 Ų158134.6 Ų134.669%0.69373%0.729SS**  cis-157.7165.820.3-119.3-36.2000115.6
972I30Very low27.8Very low141 Ų141134.5 Ų134.572%0.72373%0.728SS**  trans73.9117.1144.6-68.7162.2000122
973L25.5Very low27.7Very low145 Ų145138.6 Ų138.676%0.75973%0.734SS**  trans-53.2151.4158.2-89.757000114.5
974N29.4Very low27.6Very low159 Ų159137.8 Ų137.885%0.8573%0.732SS**  -168162.7106.4-99.8-36.7000116.2
975K24.8Very low27.5Very low191 Ų191137 Ų13783%0.8373%0.729SS**  trans-111.8-178.7178.6-110.1-177.4179.2-178.10108.7
976P30.5Very low27.4Very low97 Ų97136.5 Ų136.563%0.6373%0.726SS**  cis-134.1179.6-24.237.2-20.3000113.8
977S25.9Very low27.5Very low96 Ų96138.9 Ų138.967%0.67173%0.732SS**  trans63.1162.8166.539.70000115
978W27.4Very low27.4Very low220 Ų220139.3 Ų139.383%0.83373%0.729SS**  cis-137.5165.422.5-74.464.1000112.9
979L26Very low27.5Very low133 Ų133140.4 Ų140.470%0.69674%0.74SS**  trans40.4122.4149.1-64.2173.1000122.7
980T24.6Very low27.4Very low118 Ų118138.9 Ų138.972%0.72474%0.737SS**  trans67.5137.8135.556.30000123.3
981S25.1Very low27.6Very low100 Ų100135.5 Ų135.570%0.69974%0.738SS**  trans59.2105.7149.957.20000121.5
982S24.5Very low27.7Very low106 Ų106136 Ų13674%0.74175%0.745SS**  80.8147.9127.8-55.50000121.8
983F27.1Very low27.7Very low191 Ų191137.5 Ų137.584%0.83875%0.749SS**  trans63.4102.3160.5-71.8-67.4000122.1
984S27Very low27.7Very low89 Ų89138.3 Ų138.362%0.62275%0.748SS**  69.1135121.568.90000123.7
985N26.6Very low27.5Very low134 Ų134138.9 Ų138.972%0.71775%0.746SS**  trans83.2124.7137.5-72.10.2000121.7
986I28.1Very low27.5Very low135 Ų135134.8 Ų134.869%0.69274%0.742SS**  70.3133.8126.4-63.2172.1000115.3
987D29.2Very low27.2Very low139 Ų139138.8 Ų138.874%0.74375%0.754SS**  -152.6-176.250.7-138.8-32.5000116.4
988L28.2Very low27.2Very low135 Ų135142.6 Ų142.671%0.70777%0.767SS**  trans-84.4169179-76.972.6000113.8
989V31.5Very low27.2Very low149 Ų149134.9 Ų134.990%0.90376%0.756SS**  trans-126.7137.4137.7-179.30000107.9
990D29.2Very low27.4Very low147 Ų147138.9 Ų138.979%0.78676%0.763SS**  trans-116.9164.6-174.9-165.90.3000110.8
991G31.5Very low27.4Very low62 Ų62138.5 Ų138.564%0.63977%0.765SS**  trans-154.214-157.300000120.1
992M29.5Very low27.6Very low169 Ų169142.9 Ų142.983%0.83377%0.772SS**  trans69.1157.7174.9-43.8-171.986.100114.6
993Q29.9Very low27.8Very low172 Ų172145.4 Ų145.480%0.80478%0.776SS**  cis-136.9167.116.6-155.7170.815.200112.1
994Q24.8Very low27.7Very low162 Ų162140.3 Ų140.376%0.75776%0.764SS**  trans-65.9149.7-167.2-56.9151.4-17.100113.1
995Q25.4Very low27.9Very low172 Ų172144.3 Ų144.380%0.80477%0.773SS**  -168.2155.767.1-80-1781.200113.7
996S24.9Very low28Very low105 Ų105143.9 Ų143.973%0.73478%0.779SS**  trans59.1128.4154.5620000122.7
997M24.6Very low27.9Very low181 Ų181145.6 Ų145.689%0.89278%0.777SS**  trans58.793.6144.4-61.5-66.2-175.300119.3
998N26.6Very low27.8Very low176 Ų176144.5 Ų144.594%0.94178%0.777SS**  trans-143.8137.7145.6-108.6-42.4000109.5
999G27.7Very low27.7Very low58 Ų58145.7 Ų145.760%0.59878%0.784SS**  trans-134.1179.5-174.500000113.1
1000Y29.3Very low27.4Very low217 Ų217147 Ų14785%0.85178%0.781SS**  trans6765173.3-54.7-69.8000116.4F1002Y1000-F1002 HydrophobicContact CD1-CE2 4.47Å
1001S25.3Very low27.3Very low110 Ų110150.9 Ų150.977%0.76978%0.784SS**  trans-56.6149.1131.952.40000110.2
1002F29Very low27Very low192 Ų192154.4 Ų154.484%0.84279%0.789SS**  trans-145118.6148-110.9-72.3000110.8Y1000Y1000-F1002 HydrophobicContact CD1-CE2 4.47Å
1003L28.2Very low27Very low159 Ų159152.7 Ų152.783%0.83279%0.788SS**  trans-88.4171.8166.5-92.7163.3000109.9
1004S26.3Very low26.9Very low84 Ų84150.7 Ų150.759%0.58779%0.787SS**  trans-56.6151.6172.146.10000114.6
1005H29.9Very low27.1Very low172 Ų172146.9 Ų146.980%0.79679%0.791SS**  trans111141.4152.2-64.3-71.5000120.2
1006C28.9Very low27.3Very low125 Ų125142 Ų14285%0.84579%0.787SS**  trans82.1137.8155.4-69.80000120.6
1007W25.9Very low27.5Very low172 Ų172149.1 Ų149.165%0.65280%0.798SS**  trans-84.9163.1176.6-98.638.6000111.5I226 Q230I226-W1007 HydrophobicContact CG2-CH2 3.91Å; Q230-W1007 VanDerWaalsContact NE2-CE3 3.33Å
1008P26.2Very low27.8Very low116 Ų116147.1 Ų147.175%0.75379%0.791SS**  trans-73.6145.4-17230.6-36.4000112.7
1009N26.8Very low28Very low159 Ų159146.5 Ų146.585%0.8578%0.782SS**  trans-135.2106165-144.6-16.8000108.7R1011N1009-R1011 PolarHBondContact O-N 3.34Å; N1009-R1011 VanDerWaalsContact O-N 3.11Å
1010Q25.9Very low28.2Very low177 Ų177154.4 Ų154.483%0.82780%0.795SS**  trans-71.8103.5-178.8-76.1-178.3-25.800110.3
1011R26.1Very low28.2Very low228 Ų228154 Ų15486%0.8679%0.792SS**  trans-100104.2157.6-81.5-171.5171.5179.5-1.6109.3N1009 T1013N1009-R1011 PolarHBondContact O-N 3.34Å; N1009-R1011 VanDerWaalsContact O-N 3.11Å; R1011-T1013 PolarHBondContact O-N 3.44Å
1012N25.7Very low28.5Very low137 Ų137155.4 Ų155.473%0.73379%0.787SS**  trans-67.6113169.1-71.8-23.3000109.6
1013T28.9Very low28.6Very low132 Ų132154.7 Ų154.781%0.8179%0.786SS**  trans-122.564.3165.854.10000109.7R1011 G1015R1011-T1013 PolarHBondContact O-N 3.44Å; T1013-G1015 PolarHBondContact O-N 2.87Å
1014T28.2Very low28.6Very low131 Ų131150.7 Ų150.780%0.80478%0.776SS**  trans-8090.1176.749.30000111.2
1015G30.3Very low28.7Very low81 Ų81154.4 Ų154.484%0.83579%0.789SS**  trans-90137.8149.100000108.9T1013T1013-G1015 PolarHBondContact O-N 2.87Å
1016G28.2Very low28.6Very low70 Ų70150.9 Ų150.972%0.72278%0.784SS**  cis170.597.9-5.500000108.4
1017R28.8Very low28.7Very low254 Ų254151.9 Ų151.996%0.95878%0.78SS**  trans-77.8142.6-178.5-95.1-177.1172.3167.1-2.7111.2
1018N31.3Very low28.7Very low139 Ų139152.6 Ų152.674%0.74379%0.788SS**  trans-65.5144.6176.6-75.9-19.9000112.7
1019H32.1Very low28.7Very low163 Ų163153 Ų15376%0.75579%0.789SS**  trans44.3125.1158.6-52.8-56.6000118.1
1020Y31.7Very low28.8Very low224 Ų224151.1 Ų151.188%0.87879%0.786SS**  -149.1172.465.1-116.8-102.7000115.5
1021R28.3Very low28.8Very low208 Ų208152.9 Ų152.979%0.78579%0.791SS**  trans-53.4161.1167.9-83.9174.4167.3169-4.8112.2
1022Q31.4Very low29Very low140 Ų140145.7 Ų145.765%0.65479%0.788SS**  cis-166.7157.221.7-132.2157.1-8.800111.6
1023Q31.5Very low29Very low178 Ų178148 Ų14883%0.83279%0.794SS**  trans61.2162.6156-71.4167.1600120.4
1024A28.6Very low29Very low75 Ų75149.7 Ų149.762%0.6280%0.797SS**  -172.2124.3-52.300000110.8
1025N27.8Very low28.9Very low162 Ų162149.2 Ų149.287%0.86679%0.794SS**  trans63.8167.4168.4-47.8-34.8000114.8
1026S29.1Very low28.5Very low97 Ų97150.4 Ų150.468%0.67879%0.789SS**  cis-153.8172.35.4-1560000111.7
1027L29.1Very low28.6Very low147 Ų147152.7 Ų152.777%0.7779%0.79SS**  trans56119.2160.5-67.4149.2000117.5
1028K26.6Very low28.4Very low187 Ų187145.5 Ų145.581%0.81377%0.774SS**  cis77.912927-145.3-176.5-168.3-178.70114.1
1029T26.8Very low28.2Very low125 Ų125149.8 Ų149.877%0.76778%0.781SS**  trans66.9154177.954.90000115.4
1030C29.3Very low27.9Very low119 Ų119147.6 Ų147.680%0.80478%0.78SS**  cis-131169.125-77.30000116.1
1031K25.7Very low27.7Very low213 Ų213140.8 Ų140.893%0.92678%0.778SS**  trans-72.5153.4160.8-62.7174.5177.9177.50110
1032G29.6Very low27.7Very low77 Ų77134.5 Ų134.579%0.79478%0.777SS**  trans-142117.9170.700000112.2
1033H26.7Very low27.5Very low187 Ų187135.4 Ų135.487%0.86679%0.787SS**  trans-109.8122.9170.3-123.735.4000107.2
1034L29Very low27.4Very low166 Ų166133.7 Ų133.787%0.86978%0.784SS**  trans-169.8125.6164.7-91.3135.8000104.6
1035V24.2Very low27.2Very low121 Ų121138.5 Ų138.573%0.73379%0.79SS**  cis68.7118.926.6-168.40000112.8
1036S23.9Very low27.1Very low106 Ų106142.1 Ų142.174%0.74179%0.792SS**  trans65152.8-171.1-115.90000114.1
1037T29Very low27Very low119 Ų119147.9 Ų147.973%0.7380%0.799SS**  cis-119.914013.941.80000114.9
1038T24.2Very low26.8Very low103 Ų103145.4 Ų145.463%0.63279%0.794SS**  trans-62.6140.5153.943.60000111
1039Y28.6Very low27Very low228 Ų228142 Ų14289%0.89479%0.789SS**  trans-114.282.9146.8-107.2-80.4000109.8
1040T25.3Very low27.1Very low117 Ų117143.1 Ų143.172%0.71879%0.789SS**  trans-74.3129.8161.646.20000109.3
1041G26.9Very low27.1Very low82 Ų82142.8 Ų142.885%0.84578%0.783SS**  trans152.3119.7176.300000111.5
1042G29Very low27.3Very low75 Ų75137.9 Ų137.977%0.77377%0.771SS**  cis-164.1173.1-4.100000112.4
1043N26.7Very low27.3Very low160 Ų160141.5 Ų141.586%0.85677%0.767SS**  trans-73.2125166.3-67.5-68.7000109.3
1044D29.5Very low27.3Very low142 Ų142138.1 Ų138.176%0.75976%0.755SS**  trans-160123.2141.4-105.5-29.7000106.8
1045K25.1Very low27.4Very low176 Ų176137.1 Ų137.177%0.76575%0.746SS**  50.713152.4-73.9-177.2175.91730112.4
1046R25.9Very low27.6Very low237 Ų237136.8 Ų136.889%0.89474%0.74SS**  trans68.4149.3172-65.3170.5174.8-176.6-1.6113.7
1047R25.3Very low27.8Very low218 Ų218138.4 Ų138.482%0.82374%0.74SS**  cis-168.5159.5-16.7178.2-174-168.9-177.23.2106.9
1048S26.7Very low27.8Very low95 Ų95136 Ų13666%0.66474%0.739SS**  trans73156.8168.2-1.80000114.5
1049T28.9Very low27.9Very low116 Ų116137.8 Ų137.871%0.71275%0.745SS**  cis-142.2136.110.8-12.40000110.5
1050I29.3Very low27.8Very low149 Ų149131.7 Ų131.776%0.76473%0.727SS**  trans61.3127148.6-67.1159.8000116.8
1051T29Very low27.9Very low112 Ų112135.3 Ų135.369%0.68773%0.729SS**  cis-171.9155.7-9.931.40000104.8
1052T29.9Very low27.8Very low109 Ų109136.8 Ų136.867%0.66972%0.717SS**  cis-161.4158.44.69.40000108.8
1053H29.6Very low27.7Very low154 Ų154142.9 Ų142.971%0.71372%0.718SS**  trans18.7142.4135.1-62.4-44.8000120.6
1054N28Very low27.7Very low116 Ų116141.1 Ų141.162%0.6271%0.708SS**  cis-169.5177.78.5-120.4-4.1000115
1055H30.3Very low27.7Very low144 Ų144138.8 Ų138.867%0.66770%0.703SS**  trans6.3149.7133.7-68.8-62.7000119.4
1056N29Very low27.9Very low114 Ų114136.4 Ų136.461%0.6170%0.699SS**  cis-160.2-176.815.9-128.7-8.2000114.3
1057N28Very low28Very low140 Ų140131 Ų13175%0.74969%0.688SS**  trans-0.6132.4146.3-50.4-18.5000115.7
1058G28Very low28.3Very low68 Ų68127 Ų12770%0.70168%0.683SS**  cis113.6-177.63000000109.6
1059N27.4Very low28.4Very low141 Ų141126.5 Ų126.575%0.75468%0.679SS**  trans63.4123.2171.2-74.48.8000119
1060N26.9Very low28.4Very low100 Ų100127.5 Ų127.554%0.53568%0.68SS.*  93.8124.6125.2-744.8000120.8
1061Y26.2Very low28.4Very low193 Ų193129.7 Ų129.776%0.75768%0.68SS**  trans74.1152.5130-63.9-13.6000118.7
1062I25.9Very low28.5Very low113 Ų113130.1 Ų130.158%0.57968%0.678SS**  cis-170.1170.1-33.1-140.9170.2000104.7
1063Y27.2Very low28.5Very low203 Ų203130.8 Ų130.880%0.79668%0.678SS**  trans62.8159.8174.1-65.1-40.8000116.5
1064D26.6Very low28.5Very low123 Ų123130.3 Ų130.366%0.65868%0.68SS**  cis-166.6173.6-45.7-142.4-23.3000107.1
1065S27.8Very low28.5Very low93 Ų93128.2 Ų128.265%0.6569%0.686SS**  trans62.6158148.871.40000118.3
1066N29.4Very low28.4Very low126 Ų126130.1 Ų130.167%0.67469%0.693SS**  cis-147.1168-20.5-113.115000108.1
1067D29Very low28.3Very low124 Ų124133.7 Ų133.766%0.66370%0.699SS**  trans18150.7131.6-38.6-31.9000119.5
1068N30.4Very low28.2Very low135 Ų135135.2 Ų135.272%0.72270%0.701SS**  cis-167.6171.228.9-148.2-24.9000112.2
1069S29.1Very low28.1Very low84 Ų84143.6 Ų143.659%0.58771%0.712SS**  trans48.4139142.263.90000121.1
1070N30.1Very low28.3Very low136 Ų136143.2 Ų143.273%0.72772%0.717SS**  cis-165.1165.316.2-106.9-14000111.5
1071Y29Very low28.5Very low196 Ų196146.9 Ų146.977%0.76973%0.729SS**  trans3.6152.9151.4-59-90.3000121
1072N30.7Very low28.5Very low120 Ų120143.2 Ų143.264%0.64273%0.731SS**  cis-162.5160.824.3-136-18.9000115.3
1073N30.9Very low28.6Very low123 Ų123145 Ų14566%0.65874%0.741SS**  trans5.2154.7143.9-67.8-14.1000122
1074N27.9Very low28.6Very low144 Ų144142.1 Ų142.177%0.7775%0.745SS**  cis-170.4149.6-10.5-110.9-28.4000112.5
1075G27.9Very low28.9Very low72 Ų72143.2 Ų143.274%0.74275%0.749SS**  trans78.8164.8165.200000116.6
1076K28.4Very low29Very low185 Ų185141.8 Ų141.880%0.80475%0.749SS**  cis-158.5151.3-3.3-132.3175.6-175.9176.70110.2
1077Y28.5Very low29Very low188 Ų188142.4 Ų142.474%0.73775%0.752SS**  trans61.699.9167-71.3-74000122.4
1078Q25.6Very low29.1Very low172 Ų172143.4 Ų143.480%0.80476%0.757SS**  37.6108.1126.3-67.1175.6-31.900121.1
1079R26.1Very low29.1Very low244 Ų244146.6 Ų146.692%0.92177%0.768SS**  trans-172119.8140.5-108177.4-172.1-1713.3111.2
1080P30.9Very low29Very low134 Ų134146.2 Ų146.287%0.8777%0.77SS**PPolyproline II helixtrans-93.8119.6162.9-0.420.4000110.3
1081K29.9Very low29Very low177 Ų177145.1 Ų145.177%0.7776%0.764SS**PPolyproline II helixtrans-75158.6167.9-68.9-177.8177.7-177.60110.1
1082S26.6Very low29Very low116 Ų116147.3 Ų147.381%0.81177%0.771SS**PPolyproline II helixtrans-60.9149.8168.149.50000112
1083L28.7Very low28.9Very low150 Ų150147.6 Ų147.679%0.78577%0.772SS**  trans-142.8135.5170.5-141.6104.3000111.5I1085L1083-I1085 HydrophobicContact CD2-CD1 4.03Å; L1083-I1085 HydrophobicContact CD2-CG1 4.32Å
1084T27.2Very low28.8Very low143 Ų143149.9 Ų149.988%0.87778%0.784SS**  trans-107.5108.4-172.7-56.40000111.5
1085I32.4Very low28.9Very low146 Ų146151.6 Ų151.675%0.74979%0.788SS**  trans-143.8140.8169.8-55.5179.6000105.1L1083L1083-I1085 HydrophobicContact CD2-CD1 4.03Å; L1083-I1085 HydrophobicContact CD2-CG1 4.32Å
1086G30.6Very low28.9Very low62 Ų62154.8 Ų154.864%0.63978%0.783SS**  cis131.9134.91400000107.8
1087N29.9Very low28.9Very low139 Ų139153.4 Ų153.474%0.74378%0.783SS**  trans-62164.4-161.4-73.9-8.3000116.1
1088N30.2Very low28.9Very low145 Ų145151.8 Ų151.878%0.77579%0.786SS**  trans90.279.8163.5-55-22.5000118
1089Q30.5Very low29Very low202 Ų202147.8 Ų147.894%0.94477%0.773SS**  trans-138.8119.2130.9-112.5178.11600110.6
1090A27.7Very low29.1Very low77 Ų77145.2 Ų145.264%0.63677%0.771SS**  trans-93.5163.2171.400000110.4
1091N29Very low28.9Very low113 Ų113147.3 Ų147.360%0.60477%0.774SS**SBendtrans59.258.9160.1-57.6-9.4000117
1092R29.3Very low28.8Very low242 Ų242146.7 Ų146.791%0.91377%0.774SS**  trans-170.176.9154.2-105.8159.9-166-162.74.5112.3
1093L28.1Very low28.8Very low126 Ų126148.3 Ų148.366%0.6677%0.773SS**  trans-165.3-4.2159.9-112.9159.6000115.7Q1095 Q1096L1093-Q1095 PolarHBondContact O-N 3.08Å; L1093-Q1096 HydrophobicContact CD2-CB 3.88Å
1094N30.1Very low28.6Very low170 Ų170151.3 Ų151.391%0.90978%0.78SS**THydrogen-bonded Turntrans-69.223.3166-81.8-6.8000113.9
1095Q29.2Very low28.5Very low181 Ų181149.4 Ų149.485%0.84677%0.773SS**THydrogen-bonded Turntrans-14744.9178.6-71.7-171-42.300110.9L1093L1093-Q1095 PolarHBondContact O-N 3.08Å
1096Q27.4Very low28.2Very low139 Ų139149.4 Ų149.465%0.6578%0.78SS**SBendtrans-150.112.9172.8-125.8161.3-4.200116.5L1093L1093-Q1096 HydrophobicContact CD2-CB 3.88Å
1097I28.2Very low28Very low156 Ų156152.1 Ų152.180%0.879%0.789SS**SBendtrans-122.950.7158.5-46.9-178.9000108
1098I29.7Very low27.8Very low154 Ų154152.8 Ų152.879%0.7979%0.791SS**SBendtrans-130.247.3161.8-48.5-177.9000106.8
1099T26.9Very low27.6Very low88 Ų88152.3 Ų152.354%0.5479%0.794SS.*SBendtrans-159.7162.8175.1-1.70000105.1L1101T1099-L1101 PolarHBondContact O-N 2.93Å; T1099-L1101 VanDerWaalsContact O-N 3.15Å
1100E27.7Very low27.5Very low190 Ų190147.7 Ų147.789%0.88878%0.784SS**SBendtrans68.8-4.4-177.2-55.5-174.6-177.700117.5
1101L27.6Very low27.3Very low178 Ų178150.6 Ų150.693%0.93280%0.798SS**SBendtrans-107.815.4152.9-87.4174.1000113T1099T1099-L1101 PolarHBondContact O-N 2.93Å; T1099-L1101 VanDerWaalsContact O-N 3.15Å
1102H28.2Very low27.2Very low163 Ų163152.9 Ų152.976%0.75581%0.805SS**SBendtrans-131.377.3173.1-134.8-73.2000107.2
1103D25.8Very low27.2Very low150 Ų150151 Ų15180%0.80280%0.799SS**SBendtrans177.159.1159.5-92.9-16.9000112.5
1104F25.9Very low27.3Very low213 Ų213150.4 Ų150.493%0.93480%0.796SS**SBendtrans-152.933.7159.6-119.9-66.5000116.5
1105S25.1Very low27.3Very low104 Ų104150.5 Ų150.573%0.72779%0.792SS**SBendtrans-155.457.1168.8-169.80000116.3
1106T25.5Very low27.3Very low146 Ų146145.4 Ų145.490%0.89679%0.788SS**  trans-176.4104147.429.40000111
1107S25.6Very low27.3Very low119 Ų119149.8 Ų149.883%0.83280%0.798SS**  trans-160.132.4175.151.50000115.7
1108I26.5Very low27.4Very low152 Ų152151.3 Ų151.378%0.77980%0.799SS**SBendtrans-135134.7163.3-56.6-178.4000108.6
1109T26.7Very low27.4Very low136 Ų136149.4 Ų149.483%0.83480%0.795SS**SBendtrans60.5135.3-170.759.50000115.6
1110S28.4Very low27.5Very low105 Ų105151.6 Ų151.673%0.73480%0.803SS**  cis-157.7133.5-11.8460000110
1111C23.4Very low27.7Very low137 Ų137150 Ų15093%0.92680%0.795SS**  trans-83.9141.3170.4-66.30000110.6
1112Q27Very low27.9Very low161 Ų161148.3 Ų148.375%0.75279%0.786SS**  trans-144.7122.7174.7-98.5-165.6-17.700110.3
1113Y28.3Very low28.1Very low203 Ų203147.7 Ų147.780%0.79679%0.788SS**  trans61.7150.8154.4-70.2-81000117.8
1114D30Very low28.1Very low113 Ų113143.8 Ų143.860%0.60478%0.784SS**  cis-152.8163.80.5-153.91.5000112.3
1115Q30.5Very low28.7Very low173 Ų173139.4 Ų139.481%0.80878%0.777SS**  trans45.4142.4161.8-29.6-170.713.600119.2
1116G29.6Very low29Very low74 Ų74140.8 Ų140.876%0.76378%0.78SS**  cis177.1171.8100000106.1
1117R27.7Very low29.2Very low230 Ų230139.5 Ų139.587%0.86878%0.777SS**  cis-173.6152.823.2-156.9-179.3-170.9175.94.2107
1118K29.4Very low29.4Very low188 Ų188139.7 Ų139.782%0.81777%0.774SS**  trans71.5150.2168.3-60.3179.9177.3-177.90118.4
1119V29.7Very low29.6Very low115 Ų115138.9 Ų138.970%0.69778%0.776SS**  cis-168154.3-30.784.60000110.1
1120N30Very low29.7Very low134 Ų134140.9 Ų140.972%0.71778%0.776SS**  trans68.2151.1167.2-63.62.6000118.9
1121H31.5Very low29.8Very low156 Ų156139.6 Ų139.672%0.72277%0.772SS**  cis-172162.2-33-125.9-71.3000110.2
1122L31.2Very low30.1Very low143 Ų143139 Ų13975%0.74976%0.764SS**  trans72.7157165.4-52.7133000117.4
1123N31.7Very low30.2Very low149 Ų149138.3 Ų138.380%0.79776%0.764SS**  cis-164.6164.7-39.1-102.77.6000108.8
1124G27.4Very low30.3Very low68 Ų68135.3 Ų135.370%0.70176%0.762SS**  trans-116.3-145.6173.400000113.2
1125P38.7Very low30.3Very low122 Ų122136 Ų13679%0.79277%0.765SS**  cis-144.4-164.1-3534.7-11.6000114.4
1126V29.5Very low30.3Very low132 Ų132132.7 Ų132.780%0.876%0.76SS**  trans84.7140.7156.3175.60000121.7
1127S30.7Very low30.4Very low119 Ų119135.2 Ų135.283%0.83276%0.756SS**  trans-176.8177.6158.733.20000113.3
1128T29.3Very low30.6Very low124 Ų124130 Ų13076%0.76175%0.746SS**  trans-156.3168.9-156.4-26.40000116.4
1129T30.1Very low30.7Very low135 Ų135128.5 Ų128.583%0.82874%0.739SS**  trans93.5162.215870.30000121.9
1130Q28.8Very low30.9Very low178 Ų178130.2 Ų130.283%0.83274%0.739SS**  cis-177.5163-43.1-172.954.222.600112.3
1131A30.7Very low30.9Very low78 Ų78133.1 Ų133.165%0.64574%0.74SS**  trans80.3163.5163.100000118.1
1132T29.8Very low30.8Very low124 Ų124132 Ų13276%0.76174%0.739SS**  cis-165.8151.5-11.718.70000107.1
1133I29.1Very low30.7Very low147 Ų147129.1 Ų129.175%0.75473%0.731SS**  cis111.714840.7-75.3-177.4000113.6
1134D31.2Very low30.6Very low140 Ų140128 Ų12875%0.74973%0.729SS**  trans86148.5171-73.5-40000121.6
1135N30.2Very low30.7Very low127 Ų127131.4 Ų131.468%0.67973%0.732SS**  cis-169.5171-34-142.3-41.9000113.4
1136C30.7Very low30.2Very low103 Ų103129.3 Ų129.370%0.69672%0.72SS**  trans69.4152.7153.8-78.10000122.3
1137N30.5Very low30.3Very low128 Ų128129.3 Ų129.368%0.68472%0.715SS**  cis-172.9172.5-29.7-134-45.4000113.7
1138N32.3Very low30.2Very low121 Ų121129.2 Ų129.265%0.64771%0.714SS**  trans74.3149.7161.6-63.9-54.3000119.9
1139K32Very low30.1Very low155 Ų155127.3 Ų127.367%0.67471%0.707SS**  cis-165.9150.9-2.2-116.4166.8-172.8169.30114.3
1140Q33Very low30.2Very low152 Ų152129.5 Ų129.571%0.7171%0.707SS**  trans72.2147.3141.2-78.5175.33.800122.2
1141R29.8Very low30.2Very low194 Ų194126.1 Ų126.173%0.73270%0.703SS**  cis-173.5160.2-16.2-138.9-174167.2-169.3-3.7113.2
1142L30.7Very low30Very low134 Ų134127.1 Ų127.170%0.70271%0.705SS**  trans69.6154.4155.1-59.6168.7000120.7
1143S27.7Very low29.9Very low82 Ų82128.8 Ų128.857%0.57371%0.709SS**  cis175164-46.851.80000112.6
1144T30.8Very low30Very low124 Ų124130.1 Ų130.176%0.76171%0.711SS**  trans66.6157.6164.766.30000117.1
1145N29.9Very low29.7Very low141 Ų141127.9 Ų127.975%0.75471%0.706SS**  cis-168.6172.6-17.3-108.647.4000107.2
1146S28.4Very low29.6Very low78 Ų78128 Ų12855%0.54571%0.706SS.*  cis-170.5178.5-31.455.10000110.3
1147D30.9Very low29.4Very low132 Ų132131.9 Ų131.971%0.70671%0.711SS**  trans59.4122.2155.1-50.5-50.5000123.9
1148S28.2Very low29.3Very low116 Ų116131.6 Ų131.681%0.81172%0.718SS**  trans69.6166.8138.3840000119.3
1149S27.8Very low29.1Very low85 Ų85133.8 Ų133.859%0.59473%0.729SS**  cis-170.5162.5-34.955.70000110.1
1150H30.9Very low29.2Very low181 Ų181131.5 Ų131.584%0.83873%0.73SS**  trans63.1162164.9-63.8-62.8000117.4
1151S29.8Very low29Very low107 Ų107129.3 Ų129.375%0.74873%0.731SS**  cis-156.6162.5-1639.20000112.4
1152S26Very low28.9Very low99 Ų99127.9 Ų127.969%0.69274%0.737SS**  trans-56.1158.4174.853.80000118.6
1153L28.1Very low29Very low159 Ų159127.1 Ų127.183%0.83274%0.74SS**  179.5137128-86.9150.1000107.3
1154H30.5Very low29Very low174 Ų174127.3 Ų127.381%0.80675%0.747SS**  57.5137.864.2-8468.3000114.7
1155C25.4Very low28.7Very low94 Ų94130.1 Ų130.164%0.63575%0.752SS**  cis-169.4164.7-16.2-160.60000110.4
1156N27.5Very low28.4Very low128 Ų128128.7 Ų128.768%0.68475%0.752SS**  trans69.9116.9156.7-74.6-48.8000123.7
1157K26.8Very low28.4Very low186 Ų186129.8 Ų129.881%0.80976%0.76SS**  trans82.6143.3133-66177.8-179.6178.30122.9
1158C28.6Very low28Very low122 Ų122129.2 Ų129.282%0.82477%0.766SS**  trans78.9108.5160.5-66.70000121.5
1159L28.1Very low28Very low166 Ų166128.5 Ų128.587%0.86977%0.768SS**  29.7147.3126.4-111.969.8000120.9
1160P33.9Very low27.9Very low108 Ų108131.6 Ų131.670%0.70178%0.777SS**  cis-135-166.9-46.736.7-18.5000113.1
1161S30.1Very low27.6Very low105 Ų105129.6 Ų129.673%0.73477%0.772SS**  trans102122.2155.680.50000120.5
1162L27Very low27.4Very low165 Ų165133.2 Ų133.286%0.86478%0.78SS**  trans55.7-172.3149.2-65.5161.9000116.4
1163P31.9Very low27.6Very low117 Ų117132 Ų13276%0.7677%0.772SS**  -127.5-164.3-102.737.4-16.4000114.4
1164A27.7Very low28Very low87 Ų87127 Ų12772%0.71975%0.75SS**  trans101.9110.8163.100000119.6
1165E25.1Very low28.2Very low183 Ų183121.8 Ų121.886%0.85573%0.731SS**  63.8121.8125.2-59-169.3167.600124.8
1166S24.6Very low28.9Very low110 Ų110122 Ų12277%0.76972%0.722SS**  109.3159.1127.783.60000120.6
1167S27Very low29.5Very low101 Ų101119.1 Ų119.171%0.70671%0.707SS**  trans85.457.6151.8-52.10000120.7
1168S23.5Very low30Very low120 Ų120114.4 Ų114.484%0.83969%0.69SS**  37.7126.9125.560.40000122.4
1169A27Very low30.5Very low102 Ų102110.9 Ų110.984%0.84366%0.66SS**  trans-136.3130.415800000112.4
1170L26.6Very low31.3Very low150 Ų150105 Ų10579%0.78563%0.629SS**  trans-60131.5-171.6-59.4143.9000112.8
1171L25.3Very low31.9Very low139 Ų139105.3 Ų105.373%0.72862%0.619SS**  72.29257-77.4174000116.9
1172I25Very low32.5Very low182 Ų182107 Ų10793%0.93362%0.616SS**  trans-142.584.6132.4-51.5-178.4000108.4
1173S30.5Very low33Very low75 Ų75100 Ų10052%0.52458%0.581SS.*  trans-102.1142.4163.755.70000109.1
1174S35.9Very low33.2Very low52 Ų5297 Ų9736%0.36457%0.57SS.*  trans-69.2143.8-178.8104.10000111H1176 D1177S1174-H1176 PolarHBondContact O-N 2.96Å; S1174-H1176 PolarHBondContact OG-N 2.62Å; S1174-D1177 VanDerWaalsContact CB-OD2 3.27Å; S1174-D1177 WeakPolarHBondContact CB-OD2 3.44Å; S1174-D1177 PolarHBondContact O-N 2.92Å; S1174-D1177 PolarHBondContact OG-OD2 2.62Å
1175V35.9Very low33.5Very low65 Ų6594 Ų9439%0.39454%0.54SS..SBendtrans-66.4-29-180178.30000111.2D1177 N1178 R1179V1175-D1177 PolarHBondContact O-N 3.28Å; V1175-N1178 PolarHBondContact O-N 3.16Å; V1175-R1179 PolarHBondContact O-N 2.56Å
1176H39.8Very low33.8Very low99 Ų9992.8 Ų92.846%0.45854%0.535SS..Hα-helixtrans-61.9-39.5179.2-51.5101.6000112.5S1174 N1178 R1179 L1180S1174-H1176 PolarHBondContact O-N 2.96Å; S1174-H1176 PolarHBondContact OG-N 2.62Å; H1176-N1178 PolarHBondContact O-N 3.37Å; H1176-N1178 VanDerWaalsContact O-N 3.13Å; H1176-R1179 PolarHBondContact O-N 3.46Å; H1176-R1179 VanDerWaalsContact O-N 3.15Å; H1176-L1180 WeakPolarHBondContact O-CB 3.44Å; H1176-L1180 VanDerWaalsContact O-CG 3.31Å; H1176-L1180 WeakPolarHBondContact O-CG 3.38Å; H1176-L1180 PolarHBondContact O-N 3.49Å
1177D39.4Very low34Very low67 Ų6791.6 Ų91.636%0.35852%0.523SS..Hα-helixtrans-60.5-26.2-178.2-66.7-71.3000114S1174 V1175 K1181S1174-D1177 VanDerWaalsContact CB-OD2 3.27Å; S1174-D1177 WeakPolarHBondContact CB-OD2 3.44Å; S1174-D1177 PolarHBondContact O-N 2.92Å; S1174-D1177 PolarHBondContact OG-OD2 2.62Å; V1175-D1177 PolarHBondContact O-N 3.28Å; D1177-K1181 WeakPolarHBondContact O-CD 3.31Å; D1177-K1181 WeakPolarHBondContact O-CE 3.44Å; D1177-K1181 WeakPolarHBondContact O-CG 3.45Å
1178N37Very low34Very low88 Ų8890.6 Ų90.647%0.47152%0.515SS..Hα-helixtrans-87.9-39.2177.1-70.5-22.7000111.5V1175 H1176 K1181 E1182V1175-N1178 PolarHBondContact O-N 3.16Å; H1176-N1178 PolarHBondContact O-N 3.37Å; H1176-N1178 VanDerWaalsContact O-N 3.13Å; N1178-K1181 PolarHBondContact O-N 3.03Å; N1178-E1182 PolarHBondContact O-N 2.9Å
1179R40.4Very low34.2Very low47 Ų4791.6 Ų91.618%0.17751%0.511CS..Hα-helixtrans-61.6-44.9174.4-66.5-165.2135.2176.85.3112.6E367 P427 V1175 H1176 K1181 E1182 C1183E367-R1179 WeakPolarHBondContact OE2-CD 3.43Å; E367-R1179 IonicContact OE2-CZ 3.15Å; E367-R1179 IonicContact OE2-NH1 3.16Å; E367-R1179 PolarHBondContact OE2-NH1 3.34Å; P427-R1179 PolarHBondContact O-NH2 3.13Å; V1175-R1179 PolarHBondContact O-N 2.56Å; H1176-R1179 PolarHBondContact O-N 3.46Å; H1176-R1179 VanDerWaalsContact O-N 3.15Å; R1179-K1181 PolarHBondContact O-N 3.29Å; R1179-E1182 PolarHBondContact O-N 2.92Å; R1179-C1183 PolarHBondContact O-N 2.67Å; R1179-C1183 PolarHBondContact O-SG 2.84Å
1180L43.2Very low34.1Very low44 Ų4494.7 Ų94.723%0.2351%0.513CS..Hα-helixtrans-56.6-38.1178.1-73.5169.4000111.4H1176 C1183 G1184 Y1185H1176-L1180 WeakPolarHBondContact O-CB 3.44Å; H1176-L1180 VanDerWaalsContact O-CG 3.31Å; H1176-L1180 WeakPolarHBondContact O-CG 3.38Å; H1176-L1180 PolarHBondContact O-N 3.49Å; L1180-C1183 CarbonylContact O-C 3.56Å; L1180-C1183 PolarHBondContact O-N 3.37Å; L1180-G1184 PolarHBondContact O-N 2.96Å; L1180-Y1185 HydrophobicContact CD2-CD2 3.98Å; L1180-Y1185 HydrophobicContact CD2-CE2 4.38Å; L1180-Y1185 HydrophobicContact CD2-CG 4.3Å; L1180-Y1185 WeakPolarHBondContact O-CA 3.15Å; L1180-Y1185 WeakPolarHBondContact O-CB 3.34Å; L1180-Y1185 WeakPolarHBondContact O-CD2 3.47Å; L1180-Y1185 PolarHBondContact O-N 3.14Å
1181K47Very low34.1Very low114 Ų11495.7 Ų95.750%0.49652%0.518SS..Hα-helixtrans-67.3-40.3174.8-70167.1-171.6152.80112.9D1177 N1178 R1179 C1183 G1184D1177-K1181 WeakPolarHBondContact O-CD 3.31Å; D1177-K1181 WeakPolarHBondContact O-CE 3.44Å; D1177-K1181 WeakPolarHBondContact O-CG 3.45Å; N1178-K1181 PolarHBondContact O-N 3.03Å; R1179-K1181 PolarHBondContact O-N 3.29Å; K1181-C1183 VanDerWaalsContact C-N 3.31Å; K1181-C1183 PolarHBondContact O-N 2.83Å; K1181-G1184 PolarHBondContact O-N 2.77Å; K1181-G1184 VanDerWaalsContact O-N 3.16Å
1182E42.6Very low34.1Very low140 Ų14093.7 Ų93.765%0.65452%0.516SS*.Hα-helixtrans-65.6-34.7175.1-66.8-179.2143.600112N1178 R1179 G1184N1178-E1182 PolarHBondContact O-N 2.9Å; R1179-E1182 PolarHBondContact O-N 2.92Å; E1182-G1184 PolarHBondContact O-N 3.02Å
1183C38.3Very low34.4Very low19 Ų1990.2 Ų90.213%0.12851%0.508CS..THydrogen-bonded Turntrans-80.19.4173.1-62.60000114.5R1179 L1180 K1181 Y1185R1179-C1183 PolarHBondContact O-N 2.67Å; R1179-C1183 PolarHBondContact O-SG 2.84Å; L1180-C1183 CarbonylContact O-C 3.56Å; L1180-C1183 PolarHBondContact O-N 3.37Å; K1181-C1183 VanDerWaalsContact C-N 3.31Å; K1181-C1183 PolarHBondContact O-N 2.83Å; C1183-Y1185 HydrophobicContact CB-CD2 4.06Å; C1183-Y1185 HydrophobicContact CB-CE2 4.14Å
1184G34.4Very low34.2Very low52 Ų5293.9 Ų93.954%0.53652%0.521SS..THydrogen-bonded Turntrans91.31.6172.200000116.6L1180 K1181 E1182 Q1186L1180-G1184 PolarHBondContact O-N 2.96Å; K1181-G1184 PolarHBondContact O-N 2.77Å; K1181-G1184 VanDerWaalsContact O-N 3.16Å; E1182-G1184 PolarHBondContact O-N 3.02Å; G1184-Q1186 PolarHBondContact O-N 3.47Å
1185Y34.7Very low34.1Very low25 Ų25100.6 Ų100.610%0.09855%0.547CS..  trans-85.5106.5178.5-60.3-96.2000111.3L1180 C1183 V1187 Y1320 K1608L1180-Y1185 HydrophobicContact CD2-CD2 3.98Å; L1180-Y1185 HydrophobicContact CD2-CE2 4.38Å; L1180-Y1185 HydrophobicContact CD2-CG 4.3Å; L1180-Y1185 WeakPolarHBondContact O-CA 3.15Å; L1180-Y1185 WeakPolarHBondContact O-CB 3.34Å; L1180-Y1185 WeakPolarHBondContact O-CD2 3.47Å; L1180-Y1185 PolarHBondContact O-N 3.14Å; C1183-Y1185 HydrophobicContact CB-CD2 4.06Å; C1183-Y1185 HydrophobicContact CB-CE2 4.14Å; Y1185-V1187 VanDerWaalsContact C-N 3.32Å; Y1185-V1187 PolarHBondContact O-N 2.77Å; Y1185-Y1320 WeakPolarHBondContact OH-CE1 3.47Å; Y1185-Y1320 PolarHBondContact OH-OH 3.43Å; Y1185-K1608 HydrophobicContact CE2-CD 4.07Å; Y1185-K1608 PolarHBondContact OH-NZ 2.98Å; Y1185-K1608 VanDerWaalsContact OH-NZ 3.1Å
1186Q31.5Very low33.7Very low158 Ų158105.9 Ų105.974%0.73857%0.568SS**  trans-77.780.5168.1-70.6-167.11.800111.4G1184 S1188G1184-Q1186 PolarHBondContact O-N 3.47Å; Q1186-S1188 PolarHBondContact O-N 3.24Å
1187V28.9Very low33.3Very low85 Ų85109.1 Ų109.152%0.51559%0.587SS.*  trans-77.380.5157.5-172.30000107.4Y1185Y1185-V1187 VanDerWaalsContact C-N 3.32Å; Y1185-V1187 PolarHBondContact O-N 2.77Å
1188S27.7Very low32.6Very low79 Ų79110.9 Ų110.955%0.55261%0.605SS**  trans-119.9118.2-17853.40000111.2Q1186 L1190Q1186-S1188 PolarHBondContact O-N 3.24Å; S1188-L1190 PolarHBondContact O-N 3.27Å
1189N27.3Very low32.2Very low141 Ų141114.8 Ų114.875%0.75463%0.626SS**  trans-53.9118.1-173.4-58.4-12000112.6
1190L24.9Very low31.6Very low168 Ų168121.4 Ų121.488%0.8866%0.656SS**SBendtrans-84.6128.7154.2-78.6169.3000108.1S1188S1188-L1190 PolarHBondContact O-N 3.27Å
1191L26.4Very low30.9Very low170 Ų170127.1 Ų127.189%0.8969%0.687SS**  trans72.679.6-175.7-51.5174.1000114.9
1192S25.1Very low29.9Very low97 Ų97127.1 Ų127.168%0.67870%0.701SS**  trans-92.6119.2151.648.60000110.7
1193S30.9Very low29.4Very low110 Ų110125.4 Ų125.477%0.76970%0.702SS**  trans-156.596.8161.555.90000107.5
1194D27.8Very low28.9Very low151 Ų151134.5 Ų134.581%0.80774%0.739SS**  trans-73.8140.9-172.9-41.6-93.3000111.8
1195E32.7Very low28.7Very low193 Ų193136 Ų13690%0.90274%0.735SS**  trans-153.8158.2143.4-118.5160.3-142.100110.1
1196E28.7Very low28.7Very low177 Ų177136.6 Ų136.683%0.82774%0.743SS**  trans-46.8147.6-163.9-56.9171.7151.700115.8
1197L29.9Very low29Very low167 Ų167132.9 Ų132.987%0.87473%0.73SS**  -165.2162.166.3-160.567.1000112.4
1198S25.3Very low29.6Very low104 Ų104131.4 Ų131.473%0.72772%0.719SS**  trans-99.7131.8-174.856.70000114.7
1199N29.2Very low30Very low169 Ų169132.2 Ų132.290%0.90471%0.714SS**  trans-157.3154.2142.2-118.8-34.1000111.8
1200K27.8Very low30.4Very low186 Ų186129.9 Ų129.981%0.80970%0.7SS**  trans-110.7164-178.4-70.2179.2178.2175.60111
1201N27.1Very low30.9Very low164 Ų164125.7 Ų125.788%0.87768%0.678SS**  trans83.479.3172-50.2-15.6000116.5
1202S26.3Very low31.5Very low114 Ų114121.6 Ų121.680%0.79766%0.657SS**  trans-143.4149.9154.155.30000109.9
1203P31.6Very low32Very low105 Ų105121.2 Ų121.268%0.68265%0.651SS**  trans-74.2159.3-178.230.7-35000112.2L1205P1203-L1205 HydrophobicContact CG-CD1 4.29Å; P1203-L1205 PolarHBondContact O-N 3.15Å
1204K28.5Very low32.3Very low209 Ų209121 Ų12191%0.90964%0.64SS**  trans-69.499.4168.6-72.6-171.1174.8-167.70109.6
1205L29.7Very low32.7Very low83 Ų83119.7 Ų119.744%0.43563%0.633SS.*  trans-66.2141.1162.6-89.870.3000109.6P1203 E1209 M1210P1203-L1205 HydrophobicContact CG-CD1 4.29Å; P1203-L1205 PolarHBondContact O-N 3.15Å; L1205-E1209 HydrophobicContact CB-CB 4.15Å; L1205-E1209 HydrophobicContact CD2-CB 3.94Å; L1205-E1209 HydrophobicContact CG-CB 3.92Å; L1205-M1210 HydrophobicContact CB-CG 4.21Å; L1205-M1210 HydrophobicContact CD2-CG 4.27Å
1206S36.2Very low32.6Very low38 Ų38117.5 Ų117.527%0.26663%0.627SS.*  trans-73.1161.2165.867.20000111.4I1208 E1209 M1210S1206-I1208 PolarHBondContact O-N 2.61Å; S1206-E1209 VanDerWaalsContact CB-OE2 3.24Å; S1206-E1209 WeakPolarHBondContact CB-OE2 3.2Å; S1206-E1209 PolarHBondContact N-OE2 3.4Å; S1206-E1209 PolarHBondContact O-N 2.91Å; S1206-E1209 PolarHBondContact OG-N 2.94Å; S1206-E1209 PolarHBondContact OG-OE2 2.91Å; S1206-M1210 PolarHBondContact O-N 2.98Å
1207V38.1Very low32.6Very low80 Ų80114.7 Ų114.749%0.48562%0.617SS.*Hα-helixtrans-58-31.3173.6178.30000111.5M1210 L1211V1207-M1210 HydrophobicContact CG2-CE 4.33Å; V1207-M1210 PolarHBondContact O-N 2.86Å; V1207-L1211 HydrophobicContact CG1-CD1 3.91Å; V1207-L1211 HydrophobicContact CG1-CG 4.29Å; V1207-L1211 WeakPolarHBondContact O-CB 3.46Å; V1207-L1211 VanDerWaalsContact O-CG 3.26Å; V1207-L1211 WeakPolarHBondContact O-CG 3.47Å; V1207-L1211 PolarHBondContact O-N 2.96Å
1208I41.2Very low32.6Very low55 Ų55112.1 Ų112.128%0.28261%0.613SS.*Hα-helixtrans-67-40.4175.8-68.4165.8000111.1S1206 L1211 N1212 E1305S1206-I1208 PolarHBondContact O-N 2.61Å; I1208-L1211 PolarHBondContact O-N 2.69Å; I1208-N1212 VanDerWaalsContact O-CB 3.3Å; I1208-N1212 WeakPolarHBondContact O-CB 3.47Å; I1208-N1212 PolarHBondContact O-N 3.21Å; I1208-N1212 PolarHBondContact O-ND2 2.68Å; I1208-N1212 PolarHBondContact O-OD1 3.1Å; I1208-E1305 HydrophobicContact CD1-CB 4.48Å
1209E36.4Very low32.9Very low96 Ų96113.6 Ų113.645%0.44962%0.622SS.*Hα-helixtrans-69-40.9176.6-71.4154.3119.700111.6L1205 S1206 N1212 T1213L1205-E1209 HydrophobicContact CB-CB 4.15Å; L1205-E1209 HydrophobicContact CD2-CB 3.94Å; L1205-E1209 HydrophobicContact CG-CB 3.92Å; S1206-E1209 VanDerWaalsContact CB-OE2 3.24Å; S1206-E1209 WeakPolarHBondContact CB-OE2 3.2Å; S1206-E1209 PolarHBondContact N-OE2 3.4Å; S1206-E1209 PolarHBondContact O-N 2.91Å; S1206-E1209 PolarHBondContact OG-N 2.94Å; S1206-E1209 PolarHBondContact OG-OE2 2.91Å; E1209-N1212 PolarHBondContact O-N 2.84Å; E1209-T1213 PolarHBondContact O-N 3.41Å; E1209-T1213 PolarHBondContact O-OG1 3.13Å; E1209-T1213 VanDerWaalsContact O-OG1 3.13Å
1210M34Very low32.9Very low91 Ų91113.3 Ų113.345%0.44862%0.62SS.*Hα-helixtrans-62.8-40.5174-75.5-175.8-72.500112.7L1205 S1206 V1207 T1213 I1214L1205-M1210 HydrophobicContact CB-CG 4.21Å; L1205-M1210 HydrophobicContact CD2-CG 4.27Å; S1206-M1210 PolarHBondContact O-N 2.98Å; V1207-M1210 HydrophobicContact CG2-CE 4.33Å; V1207-M1210 PolarHBondContact O-N 2.86Å; M1210-T1213 WeakPolarHBondContact CA-OG1 3.23Å; M1210-T1213 PolarHBondContact O-N 2.91Å; M1210-T1213 PolarHBondContact O-OG1 3.46Å; M1210-I1214 WeakPolarHBondContact O-CG1 3.42Å; M1210-I1214 PolarHBondContact O-N 3.15Å
1211L36Very low33.1Very low80 Ų80112 Ų11242%0.41962%0.622SS.*Hα-helixtrans-68.5-39.4175.1-71.7171.7000111.9V1207 I1208 T1213 I1214V1207-L1211 HydrophobicContact CG1-CD1 3.91Å; V1207-L1211 HydrophobicContact CG1-CG 4.29Å; V1207-L1211 WeakPolarHBondContact O-CB 3.46Å; V1207-L1211 VanDerWaalsContact O-CG 3.26Å; V1207-L1211 WeakPolarHBondContact O-CG 3.47Å; V1207-L1211 PolarHBondContact O-N 2.96Å; I1208-L1211 PolarHBondContact O-N 2.69Å; L1211-T1213 VanDerWaalsContact C-N 3.31Å; L1211-T1213 PolarHBondContact O-N 2.81Å; L1211-I1214 PolarHBondContact O-N 2.97Å; L1211-I1214 VanDerWaalsContact O-N 3.15Å
1212N38.5Very low33.4Very low85 Ų85110.5 Ų110.546%0.45562%0.619SS.*Hα-helixtrans-67.3-28.5176.8-69.6-5.9000112.8I1208 E1209 I1214 D1215I1208-N1212 VanDerWaalsContact O-CB 3.3Å; I1208-N1212 WeakPolarHBondContact O-CB 3.47Å; I1208-N1212 PolarHBondContact O-N 3.21Å; I1208-N1212 PolarHBondContact O-ND2 2.68Å; I1208-N1212 PolarHBondContact O-OD1 3.1Å; E1209-N1212 PolarHBondContact O-N 2.84Å; N1212-I1214 VanDerWaalsContact C-N 3.3Å; N1212-D1215 PolarHBondContact O-N 3.01Å
1213T36.4Very low33.4Very low89 Ų89111.5 Ų111.555%0.54661%0.614SS.*Hα-helixtrans-72.2-20.6172.542.40000113.8E1209 M1210 L1211E1209-T1213 PolarHBondContact O-N 3.41Å; E1209-T1213 PolarHBondContact O-OG1 3.13Å; E1209-T1213 VanDerWaalsContact O-OG1 3.13Å; M1210-T1213 WeakPolarHBondContact CA-OG1 3.23Å; M1210-T1213 PolarHBondContact O-N 2.91Å; M1210-T1213 PolarHBondContact O-OG1 3.46Å; L1211-T1213 VanDerWaalsContact C-N 3.31Å; L1211-T1213 PolarHBondContact O-N 2.81Å
1214I36.8Very low33.4Very low104 Ų104111.8 Ų111.853%0.53362%0.617SS.*Hα-helixtrans-79.5-22.2176.9-67.1164.9000111.5M1210 L1211 N1212 L1216M1210-I1214 WeakPolarHBondContact O-CG1 3.42Å; M1210-I1214 PolarHBondContact O-N 3.15Å; L1211-I1214 PolarHBondContact O-N 2.97Å; L1211-I1214 VanDerWaalsContact O-N 3.15Å; N1212-I1214 VanDerWaalsContact C-N 3.3Å; I1214-L1216 VanDerWaalsContact C-N 3.26Å; I1214-L1216 PolarHBondContact O-N 2.95Å
1215D36.3Very low33.3Very low125 Ų125110.7 Ų110.767%0.66861%0.612SS**THydrogen-bonded Turntrans-78.82.6177.7-105.6-19.4000114.1N1212N1212-D1215 PolarHBondContact O-N 3.01Å
1216L30.4Very low33.3Very low147 Ų147117.1 Ų117.177%0.7764%0.636SS**SBendtrans-136.453-170.2-73.2174.4000114.4I1214I1214-L1216 VanDerWaalsContact C-N 3.26Å; I1214-L1216 PolarHBondContact O-N 2.95Å
1217D28.9Very low32.8Very low117 Ų117119.6 Ų119.663%0.62666%0.659SS**  trans-149.644.5174.8-145.728.9000113K926K926-D1217 IonicContact NZ-OD2 3.52Å; K926-D1217 PolarHBondContact NZ-OD2 3.47Å
1218S30.3Very low32.3Very low114 Ų114121.7 Ų121.780%0.79767%0.672SS**SBendtrans-159.256.8176.755.30000117.9
1219C30.8Very low31.6Very low134 Ų134125.1 Ų125.191%0.90570%0.696SS**  trans-179.793.6147.2-96.40000110.6
1220D29Very low31.2Very low163 Ų163127 Ų12787%0.87271%0.707SS**  trans-76.5131.5164.1-70.6-70.7000110.5
1221D32Very low30.9Very low158 Ų158128.9 Ų128.985%0.84572%0.719SS**  -170.2161.8122.4-124.6-36.7000113.1
1222V33.4Very low30.3Very low134 Ų134135.7 Ų135.781%0.81274%0.741SS**  trans72.394.2174-166.20000118.2
1223L27.4Very low29.7Very low134 Ų134135.6 Ų135.670%0.70275%0.752SS**  trans-59.9175.5161-79.4144.7000114.3K1225L1223-K1225 HydrophobicContact CD2-CD 4.4Å; L1223-K1225 HydrophobicContact CD2-CG 4.06Å
1224P30.5Very low29.3Very low112 Ų112138.1 Ų138.173%0.72777%0.768SS**  cis-139.7141.412.132.5-9.7000119.4
1225K27.4Very low28.7Very low185 Ų185138.3 Ų138.380%0.80478%0.778SS**  34.9118129.7-57.4175.1179.8174.90120.9L1223L1223-K1225 HydrophobicContact CD2-CD 4.4Å; L1223-K1225 HydrophobicContact CD2-CG 4.06Å
1226K29.3Very low28.3Very low219 Ų219142.2 Ų142.295%0.95279%0.789SS**  -150.1148.5122.3-122.2173.9-176.51770110.6
1227A25.1Very low28.2Very low90 Ų90139.8 Ų139.874%0.74478%0.784SS**  trans-121.4160-169.700000112.8
1228T29Very low27.9Very low123 Ų123139.4 Ų139.476%0.75579%0.79SS**  trans167.7102.3145.4-67.70000106.8
1229T26.7Very low27.5Very low127 Ų127142.5 Ų142.578%0.77979%0.792SS**  71.3147.482-41.80000114.4
1230I27.1Very low27.2Very low136 Ų136142.9 Ų142.970%0.69778%0.784SS**  trans108.799.2160.2-56.5-175.5000118.2
1231N28.3Very low27.1Very low131 Ų131139.9 Ų139.970%0.70178%0.776SS**  57.6119129.7-56.9-3.9000124.7
1232Y23.1Very low26.9Very low222 Ų222138 Ų13887%0.87177%0.77SS**  39.7124115.7-73.7-80.1000122.7
1233A26.3Very low26.6Very low83 Ų83139.8 Ų139.869%0.68677%0.769SS**  90.5159.6123.400000122.6
1234T27.3Very low26.7Very low143 Ų143138.7 Ų138.788%0.87777%0.773SS**  trans72130.616641.70000120.5
1235S23.7Very low26.6Very low108 Ų108140.4 Ų140.476%0.75578%0.775SS**  trans-75.3154.2168.3450000112.8
1236K29.1Very low26.5Very low207 Ų207137.1 Ų137.190%0.977%0.771SS**  trans-168.4165.3142.2-111.4165.3-173.6-178.80115.8
1237S27.8Very low26.5Very low95 Ų95133.3 Ų133.366%0.66476%0.761SS**  trans-46.7148.1-179.6490000120.6
1238C21.8Very low26.9Very low110 Ų110136 Ų13674%0.74376%0.758SS**  trans25.2146133.8-57.80000123.8
1239E22.8Very low27Very low178 Ų178137.6 Ų137.683%0.83275%0.754SS**  trans68.4148.5155.3-69.4166.8-144.900116.1
1240L24.2Very low27.2Very low142 Ų142139.3 Ų139.374%0.74375%0.753SS**  cis-158.3176.823.7-162.969.1000110.7
1241S26.2Very low27.3Very low100 Ų100141.1 Ų141.170%0.69976%0.763SS**  trans74.4151.7154.381.40000119.5
1242T28Very low27.4Very low119 Ų119143.5 Ų143.573%0.7377%0.77SS**  cis-160.2157.4-20.317.30000112.2
1243H28Very low27.6Very low172 Ų172142.3 Ų142.380%0.79677%0.769SS**  trans9.4137158.2-58.1-77.3000123
1244S29.3Very low27.4Very low111 Ų111143.5 Ų143.578%0.77677%0.768SS**  -175.2143.796.9640000116.6
1245L28.3Very low27.2Very low148 Ų148144.3 Ų144.378%0.77576%0.759SS**  trans-6.1122.5160.4-72.182000119
1246T25.5Very low27.5Very low115 Ų115144.2 Ų144.271%0.70676%0.759SS**  76.9114.564.763.80000117.8
1247N30Very low27.5Very low139 Ų139139.9 Ų139.974%0.74375%0.745SS**  trans-178.1134.5133.3-106.4-62000114.5
1248Q32.8Very low27.5Very low146 Ų146140.4 Ų140.468%0.68274%0.744SS**  trans57.8150.4144.2-64.1177.963.400121.5
1249K31.8Very low27.9Very low157 Ų157146.9 Ų146.968%0.68376%0.755SS**  cis-163.7147.9-20.1-116.8173-175.5171.40110
1250Q30.5Very low28.2Very low163 Ų163143.5 Ų143.576%0.76275%0.746SS**  trans41.6124.8150.2-65.3170.9-52.600121.9
1251I29.2Very low28.5Very low174 Ų174142.9 Ų142.989%0.89275%0.754SS**  -176.8153.1116.1-94.2158.1000109.8
1252Q29Very low28.5Very low182 Ų182142.3 Ų142.385%0.8575%0.75SS**  trans-119.1136.2-170.9-61.9170.7-14.800112.9
1253K27.3Very low28.5Very low196 Ų196145.4 Ų145.485%0.85276%0.761SS**  trans-174122.8149.7-112.3167.3-176.4172.20114.4
1254T23.5Very low28.3Very low109 Ų109142.1 Ų142.167%0.66976%0.757SS**  trans54.7140.9144.360.30000122.5
1255K22.3Very low28.2Very low160 Ų160141.9 Ų141.970%0.69676%0.756SS**  trans72.7174.4163-58.4156.6174.9179.20112.4L1257K1255-L1257 HydrophobicContact CB-CB 4.38Å; K1255-L1257 HydrophobicContact CD-CB 4.36Å; K1255-L1257 HydrophobicContact CD-CD1 4.33Å; K1255-L1257 HydrophobicContact CD-CD2 4.3Å
1256S31.2Very low28.2Very low106 Ų106143.5 Ų143.574%0.74176%0.757SS**SBendcis59.1172.129.7176.80000112
1257L27.9Very low28.5Very low115 Ų115145.1 Ų145.160%0.60276%0.756SS**  trans62.6129.8178.3-96.677.6000118.1K1255K1255-L1257 HydrophobicContact CB-CB 4.38Å; K1255-L1257 HydrophobicContact CD-CB 4.36Å; K1255-L1257 HydrophobicContact CD-CD1 4.33Å; K1255-L1257 HydrophobicContact CD-CD2 4.3Å
1258T28Very low28.4Very low107 Ų107146.6 Ų146.666%0.65676%0.759SS**  trans40.9115.7140.5580000121
1259Y30.2Very low28.2Very low245 Ų245146.1 Ų146.196%0.96176%0.761SS**  trans-81.3123.8141.2-92-95.1000109.6
1260T29.8Very low28.2Very low107 Ų107144.5 Ų144.566%0.65676%0.76SS**  trans-133.4110.3168.349.60000109.6S1262T1260-S1262 VanDerWaalsContact C-N 3.33Å; T1260-S1262 PolarHBondContact O-N 2.96Å
1261S30Very low28.3Very low130 Ų130142.8 Ų142.891%0.90976%0.756SS**  trans-77.782.217039.50000110.2L1263S1261-L1263 PolarHBondContact O-N 3.45Å
1262S26.1Very low28.2Very low88 Ų88141.3 Ų141.362%0.61575%0.749SS**  trans-72.3112.3178.654.50000112.2T1260T1260-S1262 VanDerWaalsContact C-N 3.33Å; T1260-S1262 PolarHBondContact O-N 2.96Å
1263L28.9Very low28.2Very low184 Ų184144.1 Ų144.196%0.96375%0.752SS**  trans-88.896.9144.1-101.877.6000108S1261S1261-L1263 PolarHBondContact O-N 3.45Å
1264S23.7Very low28.3Very low102 Ų102141.4 Ų141.471%0.71375%0.747SS**  trans-109.8103175.258.40000110.7
1265S27.4Very low28.7Very low107 Ų107142.5 Ų142.575%0.74875%0.754SS**  trans-162.5102.6156.3560000114.3
1266K27.5Very low29Very low181 Ų181138.5 Ų138.579%0.78774%0.74SS**  trans69.2169.6135.1-60.6-176.1174.8-176.80120.1
1267E31Very low28.8Very low150 Ų150140.7 Ų140.770%0.70174%0.743SS**  trans51.295.5174.9-74119.7-111.500115.9
1268Q28.7Very low28.8Very low170 Ų170138.8 Ų138.879%0.79475%0.751SS**  87.8132.562.8-78.8-176.5-36.600113.8
1269N28.2Very low28.9Very low136 Ų136141.4 Ų141.473%0.72776%0.759SS**  trans74.4151.1155.7-77.821.6000121.3
1270D32.8Very low28.8Very low123 Ų123137.2 Ų137.266%0.65875%0.748SS**  trans7588.3150.6-58.4-26.8000122.2
1271N32.2Very low28.9Very low126 Ų126137.7 Ų137.767%0.67475%0.746SS**  72.4112.1114.5-58.2-38.2000120.5
1272N26.8Very low28.6Very low143 Ų143137.4 Ų137.477%0.76574%0.735SS**  41.896127.1-63.7-31.7000118.2
1273R30Very low29Very low241 Ų241139 Ų13991%0.90974%0.735SS**  -168.6153.2115.9-103.7149.7-179151.8-2.3115
1274N28.4Very low29Very low139 Ų139139.1 Ų139.174%0.74373%0.728SS**  trans-47.8141.5176.5-41.9-31.5000114.4
1275T32.1Very low29.5Very low133 Ų133142.2 Ų142.282%0.81673%0.728SS**  trans-147115.7131.820000110.4
1276L27.8Very low29.7Very low76 Ų76143.2 Ų143.240%0.39873%0.73SS.*  trans-109.377179.5-156.667000109.3P243 N244P243-L1276 HydrophobicContact CB-CD2 3.7Å; P243-L1276 HydrophobicContact CG-CD2 3.92Å; N244-L1276 HydrophobicContact CB-CD2 3.68Å; N244-L1276 HydrophobicContact CB-CG 4.41Å; N244-L1276 VanDerWaalsContact CG-CD2 3.42Å; N244-L1276 PolarHBondContact ND2-O 2.98Å
1277N27.9Very low30.1Very low152 Ų152140.7 Ų140.781%0.81372%0.721SS**  trans-143.2124.7177.1-90-32.3000108.4
1278G28.3Very low30.4Very low74 Ų74135.8 Ų135.876%0.76370%0.703SS**  trans162.6-14.9179.800000118H1280G1278-H1280 PolarHBondContact O-N 3.22Å
1279I30.1Very low30.6Very low162 Ų162133.5 Ų133.583%0.83170%0.696SS**  trans-81.765.9176.7-48-178.6000110.3L1281I1279-L1281 PolarHBondContact O-N 2.92Å
1280H28.1Very low31.1Very low158 Ų158128.9 Ų128.973%0.73167%0.672SS**  trans-82.995.3166.9-172.6-71.3000108.6G1278 N1282G1278-H1280 PolarHBondContact O-N 3.22Å; H1280-N1282 PolarHBondContact O-N 3.34Å
1281L30.5Very low31.5Very low116 Ų116125 Ų12561%0.60765%0.652SS**  trans-57.597.6175.4-82.1166.5000110.2I1279 I1283I1279-L1281 PolarHBondContact O-N 2.92Å; L1281-I1283 HydrophobicContact CB-CD1 4.32Å; L1281-I1283 HydrophobicContact CB-CG1 4.29Å; L1281-I1283 PolarHBondContact O-N 2.9Å
1282N25.2Very low31.6Very low125 Ų125124 Ų12467%0.66865%0.645SS**  trans-81.257.8-173-159.64.6000112H1280 K1284H1280-N1282 PolarHBondContact O-N 3.34Å; N1282-K1284 PolarHBondContact O-N 3.07Å
1283I33.4Very low32.2Very low122 Ų122118.7 Ų118.763%0.62662%0.617SS**THydrogen-bonded Turntrans-77.466.5176.7-51174000108.4L1281L1281-I1283 HydrophobicContact CB-CD1 4.32Å; L1281-I1283 HydrophobicContact CB-CG1 4.29Å; L1281-I1283 PolarHBondContact O-N 2.9Å
1284K29.7Very low33.5Very low186 Ų186107.6 Ų107.681%0.80958%0.576SS**THydrogen-bonded Turntrans-128.50.1171.6-85.3-162.9171.3-169.20113.8N1282 T1286N1282-K1284 PolarHBondContact O-N 3.07Å; K1284-T1286 PolarHBondContact O-N 2.87Å
1285K33.7Very low35Very low167 Ų167105.6 Ų105.673%0.72657%0.571SS**SBendtrans-78.2114.1159.8-77.7-168.8172.1-172.70108.8H1287K1285-H1287 VanDerWaalsContact C-N 3.32Å; K1285-H1287 PolarHBondContact O-CD2 3.13Å; K1285-H1287 PolarHBondContact O-N 3.05Å
1286T31.4Very low36.8Very low128 Ų128101.3 Ų101.379%0.78555%0.552SS**  trans-6888.516839.70000109.1K1284 S1288K1284-T1286 PolarHBondContact O-N 2.87Å; T1286-S1288 PolarHBondContact O-N 2.75Å
1287H35.6Very low38.9Very low127 Ų12798.8 Ų98.859%0.58854%0.54SS*.  trans-55.5139.4168.5-73.8-91.3000109.5K1285 L1289 I1292K1285-H1287 VanDerWaalsContact C-N 3.32Å; K1285-H1287 PolarHBondContact O-CD2 3.13Å; K1285-H1287 PolarHBondContact O-N 3.05Å; H1287-L1289 PolarHBondContact O-N 3.24Å; H1287-I1292 HydrophobicContact CB-CD1 4.12Å; H1287-I1292 HydrophobicContact CB-CG1 3.77Å
1288S37.8Very low41.2Very low47 Ų4792.5 Ų92.533%0.32951%0.506SS..  trans-52.5140.8175.4175.90000109.9T1286 V1290 D1291 I1292T1286-S1288 PolarHBondContact O-N 2.75Å; S1288-V1290 PolarHBondContact O-N 2.97Å; S1288-V1290 PolarHBondContact OG-N 2.81Å; S1288-D1291 PolarHBondContact O-N 3.18Å; S1288-I1292 PolarHBondContact O-N 3.2Å
1289L32.5Very low43.8Very low123 Ų12393.1 Ų93.164%0.64449%0.489SS*.Hα-helixtrans-55.9-28.5175.8-133.9165000110.5H1287 L1293H1287-L1289 PolarHBondContact O-N 3.24Å; L1289-L1293 HydrophobicContact CD2-CD1 3.42Å; L1289-L1293 VanDerWaalsContact CD2-CD1 3.42Å; L1289-L1293 HydrophobicContact CD2-CG 3.85Å; L1289-L1293 WeakPolarHBondContact O-CB 3.47Å; L1289-L1293 VanDerWaalsContact O-CG 3.27Å; L1289-L1293 WeakPolarHBondContact O-CG 3.28Å; L1289-L1293 PolarHBondContact O-N 3.34Å
1290V38Very low46.5Very low38 Ų3886.2 Ų86.223%0.2345%0.453CS..Hα-helixtrans-71-37.4172.3-179.90000113L907 S1288 L1293 S1294 I1298L907-V1290 HydrophobicContact CB-CG1 4.38Å; L907-V1290 HydrophobicContact CB-CG2 4.49Å; L907-V1290 HydrophobicContact CD1-CG2 4.25Å; L907-V1290 HydrophobicContact CD2-CG2 4.2Å; S1288-V1290 PolarHBondContact O-N 2.97Å; S1288-V1290 PolarHBondContact OG-N 2.81Å; V1290-L1293 CarbonylContact O-C 3.56Å; V1290-L1293 PolarHBondContact O-N 3.33Å; V1290-S1294 CarbonylContact O-C 3.6Å; V1290-S1294 WeakPolarHBondContact O-CA 3.4Å; V1290-S1294 WeakPolarHBondContact O-CB 3.29Å; V1290-S1294 PolarHBondContact O-N 3.33Å; V1290-I1298 HydrophobicContact CB-CD1 4.01Å; V1290-I1298 HydrophobicContact CB-CG1 4.19Å; V1290-I1298 HydrophobicContact CG1-CD1 4.17Å; V1290-I1298 HydrophobicContact CG1-CG1 3.77Å
1291D42.2Very low49.2Very low43 Ų4381 Ų8123%0.2343%0.43CS..Hα-helixtrans-71.1-41176.2-74.3-41.7000111.7S1288 L1293 S1294 P1295 I1298S1288-D1291 PolarHBondContact O-N 3.18Å; D1291-L1293 VanDerWaalsContact C-N 3.31Å; D1291-L1293 PolarHBondContact O-N 3.15Å; D1291-S1294 CarbonylContact O-C 3.47Å; D1291-P1295 WeakPolarHBondContact O-CA 3.29Å; D1291-P1295 VanDerWaalsContact O-CD 3.23Å; D1291-P1295 WeakPolarHBondContact O-CD 3.48Å; D1291-P1295 WeakPolarHBondContact O-CG 3.49Å; D1291-P1295 VanDerWaalsContact O-N 3.1Å; D1291-I1298 WeakPolarHBondContact OD1-CD1 3.42Å; D1291-I1298 WeakPolarHBondContact OD1-CG1 3.21Å; D1291-I1298 WeakPolarHBondContact OD2-CD1 3.14Å
1292I34.8Very low52Low104 Ų10481.3 Ų81.353%0.53342%0.423SS..Hα-helixtrans-61.9-44174.8-59.9172000109.6R173 H1287 S1288R173-I1292 PolarHBondContact NH2-O 2.71Å; H1287-I1292 HydrophobicContact CB-CD1 4.12Å; H1287-I1292 HydrophobicContact CB-CG1 3.77Å; S1288-I1292 PolarHBondContact O-N 3.2Å
1293L39.8Very low55.1Low32 Ų3276.9 Ų76.917%0.16840%0.4CS..Hα-helixtrans-89.5-6.9-177-64.5-170.3000114.7R173 T904 L907 L1289 V1290 D1291R173-L1293 VanDerWaalsContact CZ-O 3.32Å; R173-L1293 PolarHBondContact NH1-O 3.42Å; R173-L1293 PolarHBondContact NH2-O 3.17Å; T904-L1293 HydrophobicContact CG2-CD1 4.15Å; T904-L1293 HydrophobicContact CG2-CD2 3.64Å; T904-L1293 HydrophobicContact CG2-CG 4.45Å; L907-L1293 HydrophobicContact CD1-CB 3.89Å; L907-L1293 HydrophobicContact CD1-CD1 3.78Å; L907-L1293 HydrophobicContact CD1-CG 4.39Å; L1289-L1293 HydrophobicContact CD2-CD1 3.42Å; L1289-L1293 VanDerWaalsContact CD2-CD1 3.42Å; L1289-L1293 HydrophobicContact CD2-CG 3.85Å; L1289-L1293 WeakPolarHBondContact O-CB 3.47Å; L1289-L1293 VanDerWaalsContact O-CG 3.27Å; L1289-L1293 WeakPolarHBondContact O-CG 3.28Å; L1289-L1293 PolarHBondContact O-N 3.34Å; V1290-L1293 CarbonylContact O-C 3.56Å; V1290-L1293 PolarHBondContact O-N 3.33Å; D1291-L1293 VanDerWaalsContact C-N 3.31Å; D1291-L1293 PolarHBondContact O-N 3.15Å
1294S56.2Low57.9Low8 Ų871.2 Ų71.26%0.05637%0.37CS..SBendtrans-161.473.8174.1-69.70000111.1A908 V1290 D1291 G1296 V1297A908-S1294 PolarHBondContact N-OG 2.9Å; V1290-S1294 CarbonylContact O-C 3.6Å; V1290-S1294 WeakPolarHBondContact O-CA 3.4Å; V1290-S1294 WeakPolarHBondContact O-CB 3.29Å; V1290-S1294 PolarHBondContact O-N 3.33Å; D1291-S1294 CarbonylContact O-C 3.47Å; S1294-G1296 PolarHBondContact O-N 2.79Å; S1294-V1297 WeakPolarHBondContact O-CB 3.11Å; S1294-V1297 PolarHBondContact O-N 2.98Å; S1294-V1297 VanDerWaalsContact O-N 3.08Å
1295P59Low60.9Low97 Ų9765.2 Ų65.263%0.6335%0.346SS*.THydrogen-bonded Turntrans-51.1132-178.2-28.533.5000112.7R173 D1291 V1297R173-P1295 VanDerWaalsContact NH2-CD 3.32Å; D1291-P1295 WeakPolarHBondContact O-CA 3.29Å; D1291-P1295 VanDerWaalsContact O-CD 3.23Å; D1291-P1295 WeakPolarHBondContact O-CD 3.48Å; D1291-P1295 WeakPolarHBondContact O-CG 3.49Å; D1291-P1295 VanDerWaalsContact O-N 3.1Å; P1295-V1297 VanDerWaalsContact C-N 3.3Å; P1295-V1297 PolarHBondContact O-N 3Å
1296G71.8Confident63.6Low42 Ų4262.3 Ų62.343%0.43333%0.334SS..THydrogen-bonded Turntrans80.9-5.9179.500000115.6S1294 E1299 F1300S1294-G1296 PolarHBondContact O-N 2.79Å; G1296-E1299 PolarHBondContact O-N 2.91Å; G1296-F1300 WeakPolarHBondContact O-CB 3.5Å; G1296-F1300 PolarHBondContact O-N 3.33Å
1297V70.9Confident66.4Low23 Ų2356.5 Ų56.514%0.13930%0.298CS..Hα-helixtrans-68.8-43.1177166.20000112.3A908 S1294 P1295 E1299 F1300 L1301A908-V1297 HydrophobicContact CB-CG2 3.86Å; S1294-V1297 WeakPolarHBondContact O-CB 3.11Å; S1294-V1297 PolarHBondContact O-N 2.98Å; S1294-V1297 VanDerWaalsContact O-N 3.08Å; P1295-V1297 VanDerWaalsContact C-N 3.3Å; P1295-V1297 PolarHBondContact O-N 3Å; V1297-E1299 PolarHBondContact O-N 3.33Å; V1297-F1300 PolarHBondContact O-N 3.08Å; V1297-L1301 PolarHBondContact O-N 2.78Å
1298I75.3Confident69Low21 Ų2153.2 Ų53.211%0.10828%0.282CS..Hα-helixtrans-62.1-38.5175.4-53.2-171.8000109.8V1290 D1291 L1301 R1302V1290-I1298 HydrophobicContact CB-CD1 4.01Å; V1290-I1298 HydrophobicContact CB-CG1 4.19Å; V1290-I1298 HydrophobicContact CG1-CD1 4.17Å; V1290-I1298 HydrophobicContact CG1-CG1 3.77Å; D1291-I1298 WeakPolarHBondContact OD1-CD1 3.42Å; D1291-I1298 WeakPolarHBondContact OD1-CG1 3.21Å; D1291-I1298 WeakPolarHBondContact OD2-CD1 3.14Å; I1298-L1301 PolarHBondContact O-N 3.45Å; I1298-R1302 WeakPolarHBondContact O-CG 3.34Å; I1298-R1302 PolarHBondContact O-N 3Å
1299E84.3Confident71.5Confident87 Ų8757.8 Ų57.841%0.40729%0.292SS..Hα-helixtrans-69.7-42.7178.9-160.254.3-143.900112.1G1296 V1297 L1301 R1302 L1303G1296-E1299 PolarHBondContact O-N 2.91Å; V1297-E1299 PolarHBondContact O-N 3.33Å; E1299-L1301 VanDerWaalsContact C-N 3.3Å; E1299-L1301 PolarHBondContact O-N 3.02Å; E1299-R1302 WeakPolarHBondContact O-CB 3.39Å; E1299-R1302 PolarHBondContact O-N 2.88Å; E1299-R1302 VanDerWaalsContact O-N 3.13Å; E1299-R1302 VanDerWaalsContact OE2-CD 3.25Å; E1299-R1302 WeakPolarHBondContact OE2-CD 3.43Å; E1299-R1302 IonicContact OE2-CZ 3.34Å; E1299-R1302 IonicContact OE2-NE 3.23Å; E1299-R1302 IonicContact OE2-NH1 3.05Å; E1299-R1302 PolarHBondContact OE2-NH1 2.92Å; E1299-L1303 WeakPolarHBondContact O-CB 3.27Å; E1299-L1303 VanDerWaalsContact O-CG 3.25Å; E1299-L1303 WeakPolarHBondContact O-CG 3.27Å; E1299-L1303 PolarHBondContact O-N 3.19Å
1300F86.3Confident74.1Confident17 Ų1757 Ų578%0.07529%0.286CS..Hα-helixtrans-58.7-40171.9177.6-108.9000112.2E361 Y396 N399 L400 P401 G1296 V1297 L1303 K1304E361-F1300 HydrophobicContact CG-CZ 4.15Å; Y396-F1300 HydrophobicContact CD2-CD2 4.08Å; Y396-F1300 AromaticContact CD2-CE2 3.37Å; Y396-F1300 HydrophobicContact CD2-CE2 3.37Å; Y396-F1300 AromaticContact CD2-CZ 3.81Å; Y396-F1300 HydrophobicContact CD2-CZ 3.81Å; Y396-F1300 HydrophobicContact CE2-CD2 4.45Å; Y396-F1300 HydrophobicContact CE2-CE1 4.29Å; Y396-F1300 AromaticContact CE2-CE2 3.44Å; Y396-F1300 HydrophobicContact CE2-CE2 3.44Å; Y396-F1300 VanDerWaalsContact CE2-CE2 3.44Å; Y396-F1300 AromaticContact CE2-CZ 3.35Å; Y396-F1300 HydrophobicContact CE2-CZ 3.35Å; Y396-F1300 HydrophobicContact CG-CE2 4.42Å; N399-F1300 WeakPolarHBondContact O-CD2 3.14Å; L400-F1300 HydrophobicContact CD2-CE2 4.11Å; L400-F1300 HydrophobicContact CD2-CZ 4.06Å; P401-F1300 VanDerWaalsContact CD-CE2 3.48Å; P401-F1300 VanDerWaalsContact CD-CZ 3.44Å; P401-F1300 HydrophobicContact CG-CD1 3.69Å; P401-F1300 HydrophobicContact CG-CD2 4.26Å; P401-F1300 HydrophobicContact CG-CE1 3.75Å; P401-F1300 HydrophobicContact CG-CE2 4.33Å; P401-F1300 HydrophobicContact CG-CG 3.96Å; P401-F1300 HydrophobicContact CG-CZ 4.08Å; G1296-F1300 WeakPolarHBondContact O-CB 3.5Å; G1296-F1300 PolarHBondContact O-N 3.33Å; V1297-F1300 PolarHBondContact O-N 3.08Å; F1300-L1303 PolarHBondContact O-N 3.01Å; F1300-K1304 WeakPolarHBondContact O-CB 3.47Å; F1300-K1304 PolarHBondContact O-N 3.12Å
1301L84.6Confident76.5Confident47 Ų4755.7 Ų55.725%0.24628%0.277CS..Hα-helixtrans-64.2-43.1172.7-74.7-169.5000112.9S911 V1297 I1298 E1299 L1303 K1304 E1305S911-L1301 WeakPolarHBondContact O-CD1 3.2Å; S911-L1301 WeakPolarHBondContact O-CD2 3.18Å; V1297-L1301 PolarHBondContact O-N 2.78Å; I1298-L1301 PolarHBondContact O-N 3.45Å; E1299-L1301 VanDerWaalsContact C-N 3.3Å; E1299-L1301 PolarHBondContact O-N 3.02Å; L1301-L1303 VanDerWaalsContact C-N 3.31Å; L1301-L1303 PolarHBondContact O-N 3.21Å; L1301-K1304 WeakPolarHBondContact O-CB 3.39Å; L1301-K1304 PolarHBondContact O-N 2.94Å; L1301-E1305 PolarHBondContact O-N 2.98Å
1302R89.2Confident78.5Confident123 Ų12355.9 Ų55.946%0.46429%0.285SS..Hα-helixtrans-60.2-43.5175.5-74.1167178159.30.9110.9I1298 E1299 E1305 H1306I1298-R1302 WeakPolarHBondContact O-CG 3.34Å; I1298-R1302 PolarHBondContact O-N 3Å; E1299-R1302 WeakPolarHBondContact O-CB 3.39Å; E1299-R1302 PolarHBondContact O-N 2.88Å; E1299-R1302 VanDerWaalsContact O-N 3.13Å; E1299-R1302 VanDerWaalsContact OE2-CD 3.25Å; E1299-R1302 WeakPolarHBondContact OE2-CD 3.43Å; E1299-R1302 IonicContact OE2-CZ 3.34Å; E1299-R1302 IonicContact OE2-NE 3.23Å; E1299-R1302 IonicContact OE2-NH1 3.05Å; E1299-R1302 PolarHBondContact OE2-NH1 2.92Å; R1302-E1305 PolarHBondContact O-N 3.37Å; R1302-H1306 VanDerWaalsContact O-CB 3.25Å; R1302-H1306 WeakPolarHBondContact O-CB 3.36Å; R1302-H1306 PolarHBondContact O-N 2.92Å
1303L91.6Very high80.8Confident32 Ų3255.5 Ų55.517%0.16829%0.289CS..Hα-helixtrans-63.2-42.2175.2-67.5171.7000111.8V395 N399 E1299 F1300 L1301 H1306 V1307V395-L1303 HydrophobicContact CB-CD2 3.95Å; V395-L1303 HydrophobicContact CG1-CD1 3.95Å; V395-L1303 HydrophobicContact CG1-CD2 3.75Å; N399-L1303 HydrophobicContact CB-CD1 4.43Å; E1299-L1303 WeakPolarHBondContact O-CB 3.27Å; E1299-L1303 VanDerWaalsContact O-CG 3.25Å; E1299-L1303 WeakPolarHBondContact O-CG 3.27Å; E1299-L1303 PolarHBondContact O-N 3.19Å; F1300-L1303 PolarHBondContact O-N 3.01Å; L1301-L1303 VanDerWaalsContact C-N 3.31Å; L1301-L1303 PolarHBondContact O-N 3.21Å; L1303-H1306 WeakPolarHBondContact O-CB 3.46Å; L1303-H1306 PolarHBondContact O-N 3.08Å; L1303-V1307 PolarHBondContact O-N 3.06Å
1304K91.8Very high82.8Confident3 Ų361.5 Ų61.51%0.01332%0.316CS..Hα-helixtrans-60.6-50.4175.6-174.8174-174.4-1800111.8E361 Y396 F1300 L1301 H1306 V1307 K1308 S1321 D1322E361-K1304 IonicContact OE1-NZ 3.65Å; E361-K1304 PolarHBondContact OE1-NZ 3.38Å; E361-K1304 WeakPolarHBondContact OE2-CE 3.26Å; E361-K1304 IonicContact OE2-NZ 3.58Å; E361-K1304 PolarHBondContact OE2-NZ 3.09Å; Y396-K1304 VanDerWaalsContact CD2-CA 3.42Å; Y396-K1304 HydrophobicContact CD2-CB 3.61Å; Y396-K1304 HydrophobicContact CD2-CG 4.13Å; Y396-K1304 HydrophobicContact CE2-CB 3.48Å; Y396-K1304 VanDerWaalsContact CE2-CB 3.48Å; Y396-K1304 HydrophobicContact CE2-CD 3.97Å; Y396-K1304 HydrophobicContact CE2-CG 3.5Å; Y396-K1304 VanDerWaalsContact CE2-CG 3.5Å; F1300-K1304 WeakPolarHBondContact O-CB 3.47Å; F1300-K1304 PolarHBondContact O-N 3.12Å; L1301-K1304 WeakPolarHBondContact O-CB 3.39Å; L1301-K1304 PolarHBondContact O-N 2.94Å; K1304-H1306 VanDerWaalsContact C-N 3.31Å; K1304-H1306 PolarHBondContact O-N 2.99Å; K1304-V1307 PolarHBondContact O-N 3.36Å; K1304-K1308 HydrophobicContact CG-CD 4.05Å; K1304-K1308 WeakPolarHBondContact O-CB 3.12Å; K1304-K1308 VanDerWaalsContact O-CG 3.32Å; K1304-K1308 WeakPolarHBondContact O-CG 3.18Å; K1304-K1308 PolarHBondContact O-N 3.4Å; K1304-S1321 PolarHBondContact NZ-OG 3.09Å; K1304-D1322 WeakPolarHBondContact CE-OD1 3.34Å; K1304-D1322 IonicContact NZ-OD1 3.37Å; K1304-D1322 PolarHBondContact NZ-OD1 3.12Å
1305E91.2Very high84.2Confident61 Ų6161.4 Ų61.429%0.28531%0.314SS..Hα-helixtrans-65.1-33.6176.2-76-61.2121.500112.4I1208 L1301 R1302 K1308 R1309I1208-E1305 HydrophobicContact CD1-CB 4.48Å; L1301-E1305 PolarHBondContact O-N 2.98Å; R1302-E1305 PolarHBondContact O-N 3.37Å; E1305-K1308 WeakPolarHBondContact OE1-CD 3.23Å; E1305-K1308 VanDerWaalsContact OE1-CE 3.25Å; E1305-K1308 WeakPolarHBondContact OE1-CE 3.29Å; E1305-K1308 IonicContact OE1-NZ 3.97Å; E1305-K1308 PolarHBondContact OE1-NZ 3.21Å; E1305-R1309 WeakPolarHBondContact O-CD 3.32Å; E1305-R1309 WeakPolarHBondContact O-CG 3.31Å; E1305-R1309 PolarHBondContact O-N 3.24Å
1306H91.3Very high85.3Confident105 Ų10565 Ų6549%0.48632%0.323SS..Hα-helixtrans-64.4-47.5173.4-170.789.6000111.5R1302 L1303 K1304 R1309 Q1310R1302-H1306 VanDerWaalsContact O-CB 3.25Å; R1302-H1306 WeakPolarHBondContact O-CB 3.36Å; R1302-H1306 PolarHBondContact O-N 2.92Å; L1303-H1306 WeakPolarHBondContact O-CB 3.46Å; L1303-H1306 PolarHBondContact O-N 3.08Å; K1304-H1306 VanDerWaalsContact C-N 3.31Å; K1304-H1306 PolarHBondContact O-N 2.99Å; H1306-R1309 WeakPolarHBondContact O-CB 3.3Å; H1306-R1309 PolarHBondContact O-N 3.27Å; H1306-Q1310 PolarHBondContact CD2-NE2 3.24Å; H1306-Q1310 PolarHBondContact NE2-NE2 3.44Å; H1306-Q1310 WeakPolarHBondContact O-CG 3.29Å; H1306-Q1310 PolarHBondContact O-N 3.16Å
1307V90.7Very high86Confident6 Ų664.1 Ų64.14%0.03631%0.313CS..Hα-helixtrans-65.1-43176.4171.40000111.7V391 S394 Y396 L1303 K1304 R1309 Q1310 I1311V391-V1307 HydrophobicContact CG2-CG1 4.26Å; S394-V1307 VanDerWaalsContact CB-CG2 3.44Å; Y396-V1307 HydrophobicContact CD1-CB 4.28Å; Y396-V1307 HydrophobicContact CD1-CG1 4.28Å; Y396-V1307 HydrophobicContact CD1-CG2 4.21Å; Y396-V1307 HydrophobicContact CG-CB 4.46Å; Y396-V1307 HydrophobicContact CG-CG2 4.19Å; L1303-V1307 PolarHBondContact O-N 3.06Å; K1304-V1307 PolarHBondContact O-N 3.36Å; V1307-R1309 PolarHBondContact O-N 3.04Å; V1307-Q1310 WeakPolarHBondContact O-CB 3.49Å; V1307-Q1310 PolarHBondContact O-N 3.5Å; V1307-I1311 HydrophobicContact CG1-CG2 4.15Å; V1307-I1311 WeakPolarHBondContact O-CG1 3.17Å; V1307-I1311 WeakPolarHBondContact O-CG2 3.45Å; V1307-I1311 PolarHBondContact O-N 2.74Å
1308K90.6Very high86.9Confident58 Ų5868.9 Ų68.925%0.25233%0.33SS..Hα-helixtrans-53.9-38.6173.7-74.6167.264.4-179.10111.5K1304 E1305 A1312 V1319 D1322K1304-K1308 HydrophobicContact CG-CD 4.05Å; K1304-K1308 WeakPolarHBondContact O-CB 3.12Å; K1304-K1308 VanDerWaalsContact O-CG 3.32Å; K1304-K1308 WeakPolarHBondContact O-CG 3.18Å; K1304-K1308 PolarHBondContact O-N 3.4Å; E1305-K1308 WeakPolarHBondContact OE1-CD 3.23Å; E1305-K1308 VanDerWaalsContact OE1-CE 3.25Å; E1305-K1308 WeakPolarHBondContact OE1-CE 3.29Å; E1305-K1308 IonicContact OE1-NZ 3.97Å; E1305-K1308 PolarHBondContact OE1-NZ 3.21Å; K1308-A1312 WeakPolarHBondContact O-CB 3.41Å; K1308-A1312 PolarHBondContact O-N 3.45Å; K1308-A1312 VanDerWaalsContact O-N 3.09Å; K1308-V1319 HydrophobicContact CD-CG2 3.97Å; K1308-V1319 HydrophobicContact CG-CG2 3.96Å; K1308-D1322 IonicContact NZ-OD2 2.67Å; K1308-D1322 PolarHBondContact NZ-OD2 3.16Å
1309R90Very high87.6Confident143 Ų14368.1 Ų68.154%0.5433%0.326SS..Hα-helixtrans-73.1-36.3174-67163.5-165.1-162.90.2113.8E1305 H1306 V1307E1305-R1309 WeakPolarHBondContact O-CD 3.32Å; E1305-R1309 WeakPolarHBondContact O-CG 3.31Å; E1305-R1309 PolarHBondContact O-N 3.24Å; H1306-R1309 WeakPolarHBondContact O-CB 3.3Å; H1306-R1309 PolarHBondContact O-N 3.27Å; V1307-R1309 PolarHBondContact O-N 3.04Å
1310Q87.4Confident87.9Confident107 Ų10764 Ų6450%0.531%0.306SS..Hα-helixtrans-63.7-39.7174.8-72.9179.2-17.800112H1306 V1307 P1313H1306-Q1310 PolarHBondContact CD2-NE2 3.24Å; H1306-Q1310 PolarHBondContact NE2-NE2 3.44Å; H1306-Q1310 WeakPolarHBondContact O-CG 3.29Å; H1306-Q1310 PolarHBondContact O-N 3.16Å; V1307-Q1310 WeakPolarHBondContact O-CB 3.49Å; V1307-Q1310 PolarHBondContact O-N 3.5Å; Q1310-P1313 WeakPolarHBondContact O-CD 3.39Å
1311I86.5Confident88Confident11 Ų1163.1 Ų63.16%0.05630%0.303CS..Hα-helixtrans-86.9-21.5-176.372.3-179.8000113.6F364 L387 V391 V1307 P1313 H1314 F1315F364-I1311 HydrophobicContact CD1-CD1 4.41Å; F364-I1311 HydrophobicContact CE1-CD1 4.06Å; L387-I1311 HydrophobicContact CD1-CB 3.49Å; L387-I1311 VanDerWaalsContact CD1-CB 3.49Å; L387-I1311 HydrophobicContact CD1-CD1 4.15Å; L387-I1311 HydrophobicContact CD1-CG1 4.36Å; L387-I1311 HydrophobicContact CD1-CG2 3.32Å; V391-I1311 HydrophobicContact CG2-CG2 4.45Å; V1307-I1311 HydrophobicContact CG1-CG2 4.15Å; V1307-I1311 WeakPolarHBondContact O-CG1 3.17Å; V1307-I1311 WeakPolarHBondContact O-CG2 3.45Å; V1307-I1311 PolarHBondContact O-N 2.74Å; I1311-P1313 VanDerWaalsContact C-N 3.29Å; I1311-P1313 WeakPolarHBondContact O-CD 3.12Å; I1311-P1313 VanDerWaalsContact O-N 3.08Å; I1311-H1314 PolarHBondContact O-N 3.36Å; I1311-F1315 HydrophobicContact CD1-CD1 4.14Å; I1311-F1315 PolarHBondContact O-N 2.71Å
1312A85.7Confident88.1Confident46 Ų4661.9 Ų61.938%0.3830%0.296SS..THydrogen-bonded Turntrans-47.3-33.9-179.200000116.6K1308 H1314 F1315K1308-A1312 WeakPolarHBondContact O-CB 3.41Å; K1308-A1312 PolarHBondContact O-N 3.45Å; K1308-A1312 VanDerWaalsContact O-N 3.09Å; A1312-H1314 PolarHBondContact O-N 2.91Å; A1312-F1315 WeakPolarHBondContact CA-O 3.4Å
1313P83.5Confident87.8Confident96 Ų9658.1 Ų58.162%0.62328%0.283SS*.THydrogen-bonded Turntrans-64.6-25.2175.4-23.535.6000114.3Q1310 I1311Q1310-P1313 WeakPolarHBondContact O-CD 3.39Å; I1311-P1313 VanDerWaalsContact C-N 3.29Å; I1311-P1313 WeakPolarHBondContact O-CD 3.12Å; I1311-P1313 VanDerWaalsContact O-N 3.08Å
1314H80.8Confident87.2Confident158 Ų15861 Ų6173%0.73131%0.312SS*.THydrogen-bonded Turntrans-115.1-21.4-175.3-53.7111000113.2I1311 A1312I1311-H1314 PolarHBondContact O-N 3.36Å; A1312-H1314 PolarHBondContact O-N 2.91Å
1315F84.6Confident86.4Confident6 Ų664 Ų643%0.02633%0.33CS..  trans-137.1110.6-177.8-174.5-99.3000110.5F364 Q366 L387 F421 I1311 A1312 G1317F364-F1315 HydrophobicContact CB-CE1 3.94Å; F364-F1315 HydrophobicContact CB-CE2 4.47Å; F364-F1315 HydrophobicContact CB-CZ 3.67Å; F364-F1315 HydrophobicContact CD1-CE1 4.16Å; Q366-F1315 HydrophobicContact CB-CE2 4.03Å; Q366-F1315 HydrophobicContact CB-CZ 4.16Å; Q366-F1315 HydrophobicContact CG-CE2 3.83Å; Q366-F1315 HydrophobicContact CG-CZ 4.39Å; L387-F1315 HydrophobicContact CD2-CB 3.69Å; L387-F1315 HydrophobicContact CD2-CD2 3.77Å; L387-F1315 HydrophobicContact CD2-CG 3.79Å; F421-F1315 HydrophobicContact CD1-CD2 4.47Å; F421-F1315 HydrophobicContact CD1-CE2 4.01Å; F421-F1315 HydrophobicContact CD1-CZ 4.39Å; I1311-F1315 HydrophobicContact CD1-CD1 4.14Å; I1311-F1315 PolarHBondContact O-N 2.71Å; A1312-F1315 WeakPolarHBondContact CA-O 3.4Å; F1315-G1317 VanDerWaalsContact C-N 3.32Å; F1315-G1317 VanDerWaalsContact CE1-C 3.5Å
1316Q82.4Confident86Confident174 Ų17462.2 Ų62.281%0.81332%0.323SS*.  trans-9616.1-176.4-61-177.15.700112.9
1317G86.4Confident85.5Confident22 Ų2257.7 Ų57.723%0.22730%0.303CS..  trans-93.1-168.1-177.100000115.4C365 F1315C365-G1317 CarbonylContact O-C 3.6Å; C365-G1317 WeakPolarHBondContact O-CA 3.29Å; F1315-G1317 VanDerWaalsContact C-N 3.32Å; F1315-G1317 VanDerWaalsContact CE1-C 3.5Å
1318Y90Very high85.1Confident124 Ų12457.5 Ų57.549%0.48630%0.303SS..EExtended strand (participates in β ladder)trans-114.4157.6-175-53.5-85.2000111.7F364 C365F364-Y1318 CarbonylContact C-O 3.53Å; F364-Y1318 WeakPolarHBondContact CA-O 3.5Å; C365-Y1318 PolarHBondContact N-O 2.98Å; C365-Y1318 PolarHBondContact O-N 3.29Å
1319V90.4Very high84.3Confident4 Ų457.1 Ų57.12%0.02431%0.306CS..EExtended strand (participates in β ladder)trans-96.3130.1168.9-161.30000108.2F364 K1308 S1321 D1322F364-V1319 HydrophobicContact CD1-CB 4.46Å; F364-V1319 HydrophobicContact CD1-CG1 4.33Å; F364-V1319 HydrophobicContact CD1-CG2 3.94Å; F364-V1319 HydrophobicContact CE1-CB 4.46Å; F364-V1319 HydrophobicContact CE1-CG1 4.11Å; F364-V1319 HydrophobicContact CE1-CG2 3.73Å; K1308-V1319 HydrophobicContact CD-CG2 3.97Å; K1308-V1319 HydrophobicContact CG-CG2 3.96Å; V1319-S1321 WeakPolarHBondContact CG1-OG 3.34Å; V1319-S1321 PolarHBondContact O-N 3.21Å; V1319-S1321 VanDerWaalsContact O-N 3.08Å; V1319-D1322 WeakPolarHBondContact O-CB 3.16Å; V1319-D1322 PolarHBondContact O-N 3.28Å
1320Y89.9Confident84Confident0 Ų053.3 Ų53.30%029%0.292CS..G310 helixtrans-60.3-26.2-172.1-101.9-91.2000114.6F363 C365 E422 Y1185 D1322 F1323 L1326 V1604 S1605 K1608F363-Y1320 HydrophobicContact CB-CD2 4.03Å; F363-Y1320 HydrophobicContact CB-CG 4.37Å; F363-Y1320 AromaticContact CD1-CD2 3.36Å; F363-Y1320 HydrophobicContact CD1-CD2 3.36Å; F363-Y1320 AromaticContact CD1-CE2 3.46Å; F363-Y1320 HydrophobicContact CD1-CE2 3.46Å; F363-Y1320 VanDerWaalsContact CD1-CE2 3.46Å; F363-Y1320 HydrophobicContact CD1-CG 4.33Å; F363-Y1320 HydrophobicContact CE1-CD2 4.01Å; F363-Y1320 AromaticContact CE1-CE2 3.6Å; F363-Y1320 HydrophobicContact CE1-CE2 3.6Å; F363-Y1320 AromaticContact CG-CD2 3.86Å; F363-Y1320 HydrophobicContact CG-CD2 3.86Å; F363-Y1320 HydrophobicContact CG-CE2 4.29Å; F363-Y1320 HydrophobicContact CG-CG 4.43Å; F363-Y1320 PolarHBondContact O-N 2.77Å; C365-Y1320 HydrophobicContact CB-CD2 4.29Å; C365-Y1320 HydrophobicContact CB-CE2 3.69Å; E422-Y1320 PolarHBondContact OE1-OH 3.44Å; E422-Y1320 WeakPolarHBondContact OE2-CE2 3.48Å; E422-Y1320 PolarHBondContact OE2-OH 3.27Å; Y1185-Y1320 WeakPolarHBondContact OH-CE1 3.47Å; Y1185-Y1320 PolarHBondContact OH-OH 3.43Å; Y1320-D1322 PolarHBondContact O-N 3.48Å; Y1320-F1323 AromaticContact CD1-CD2 3.46Å; Y1320-F1323 HydrophobicContact CD1-CD2 3.46Å; Y1320-F1323 VanDerWaalsContact CD1-CD2 3.46Å; Y1320-F1323 AromaticContact CD1-CE2 3.68Å; Y1320-F1323 HydrophobicContact CD1-CE2 3.68Å; Y1320-F1323 HydrophobicContact CD2-CE2 4.27Å; Y1320-F1323 AromaticContact CE1-CD2 3.96Å; Y1320-F1323 HydrophobicContact CE1-CD2 3.96Å; Y1320-F1323 AromaticContact CE1-CE2 3.9Å; Y1320-F1323 HydrophobicContact CE1-CE2 3.9Å; Y1320-F1323 HydrophobicContact CE2-CE2 4.49Å; Y1320-F1323 AromaticContact CG-CD2 3.9Å; Y1320-F1323 HydrophobicContact CG-CD2 3.9Å; Y1320-F1323 AromaticContact CG-CE2 3.86Å; Y1320-F1323 HydrophobicContact CG-CE2 3.86Å; Y1320-F1323 WeakPolarHBondContact O-CB 3.38Å; Y1320-F1323 WeakPolarHBondContact O-CD2 3.3Å; Y1320-F1323 PolarHBondContact O-N 3.3Å; Y1320-F1323 VanDerWaalsContact O-N 3.09Å; Y1320-L1326 HydrophobicContact CD1-CD2 3.84Å; Y1320-V1604 HydrophobicContact CD1-CG1 3.45Å; Y1320-V1604 VanDerWaalsContact CD1-CG1 3.45Å; Y1320-V1604 HydrophobicContact CD2-CG1 4.13Å; Y1320-V1604 HydrophobicContact CE1-CG1 4.05Å; Y1320-V1604 HydrophobicContact CG-CG1 3.51Å; Y1320-S1605 VanDerWaalsContact OH-CB 3.29Å; Y1320-S1605 WeakPolarHBondContact OH-CB 3.44Å; Y1320-S1605 PolarHBondContact OH-OG 3.32Å; Y1320-K1608 PolarHBondContact OH-NZ 3.29Å
1321S88.7Confident83.9Confident0 Ų048.7 Ų48.70%027%0.271CS..G310 helixtrans-67.7-13.2177.746.10000114.2E361 S912 K1304 V1319E361-S1321 WeakPolarHBondContact OE1-CB 3.26Å; E361-S1321 WeakPolarHBondContact OE2-CB 3.37Å; E361-S1321 PolarHBondContact OE2-OG 2.89Å; S912-S1321 PolarHBondContact OG-O 3.11Å; K1304-S1321 PolarHBondContact NZ-OG 3.09Å; V1319-S1321 WeakPolarHBondContact CG1-OG 3.34Å; V1319-S1321 PolarHBondContact O-N 3.21Å; V1319-S1321 VanDerWaalsContact O-N 3.08Å
1322D86.7Confident83.8Confident20 Ų2048.5 Ų48.511%0.10727%0.27CS..G310 helixtrans-81.9-15.7171.2-63.3-22.5000112.2K1304 K1308 V1319 Y1320K1304-D1322 WeakPolarHBondContact CE-OD1 3.34Å; K1304-D1322 IonicContact NZ-OD1 3.37Å; K1304-D1322 PolarHBondContact NZ-OD1 3.12Å; K1308-D1322 IonicContact NZ-OD2 2.67Å; K1308-D1322 PolarHBondContact NZ-OD2 3.16Å; V1319-D1322 WeakPolarHBondContact O-CB 3.16Å; V1319-D1322 PolarHBondContact O-N 3.28Å; Y1320-D1322 PolarHBondContact O-N 3.48Å
1323F83.9Confident83.8Confident45 Ų4549.4 Ų49.420%0.19727%0.265CS..SBendtrans-76.2139.7178.1-60.5-50.3000112.6Y1320 T1325Y1320-F1323 AromaticContact CD1-CD2 3.46Å; Y1320-F1323 HydrophobicContact CD1-CD2 3.46Å; Y1320-F1323 VanDerWaalsContact CD1-CD2 3.46Å; Y1320-F1323 AromaticContact CD1-CE2 3.68Å; Y1320-F1323 HydrophobicContact CD1-CE2 3.68Å; Y1320-F1323 HydrophobicContact CD2-CE2 4.27Å; Y1320-F1323 AromaticContact CE1-CD2 3.96Å; Y1320-F1323 HydrophobicContact CE1-CD2 3.96Å; Y1320-F1323 AromaticContact CE1-CE2 3.9Å; Y1320-F1323 HydrophobicContact CE1-CE2 3.9Å; Y1320-F1323 HydrophobicContact CE2-CE2 4.49Å; Y1320-F1323 AromaticContact CG-CD2 3.9Å; Y1320-F1323 HydrophobicContact CG-CD2 3.9Å; Y1320-F1323 AromaticContact CG-CE2 3.86Å; Y1320-F1323 HydrophobicContact CG-CE2 3.86Å; Y1320-F1323 WeakPolarHBondContact O-CB 3.38Å; Y1320-F1323 WeakPolarHBondContact O-CD2 3.3Å; Y1320-F1323 PolarHBondContact O-N 3.3Å; Y1320-F1323 VanDerWaalsContact O-N 3.09Å; F1323-T1325 VanDerWaalsContact C-N 3.27Å; F1323-T1325 PolarHBondContact O-N 2.89Å
1324A78Confident83.7Confident92 Ų9246.3 Ų46.376%0.7625%0.246SC*.SBendtrans-67.7-23.3177.900000114
1325T75.4Confident83.2Confident66 Ų6647.8 Ų47.841%0.40525%0.253SS..  trans-138143.6-179.6520000111.3F1323F1323-T1325 VanDerWaalsContact C-N 3.27Å; F1323-T1325 PolarHBondContact O-N 2.89Å
1326L83.2Confident82.5Confident24 Ų2448 Ų4813%0.12626%0.256CS..  trans-119.6163.4178.2-60.2176.3000109.5M356 A360 Y1320 A1328 V1604M356-L1326 HydrophobicContact CB-CD1 3.73Å; A360-L1326 HydrophobicContact CB-CD1 4.21Å; A360-L1326 HydrophobicContact CB-CD2 4.39Å; Y1320-L1326 HydrophobicContact CD1-CD2 3.84Å; L1326-A1328 VanDerWaalsContact C-N 3.26Å; L1326-A1328 PolarHBondContact O-N 2.88Å; L1326-A1328 VanDerWaalsContact O-N 3.14Å; L1326-V1604 HydrophobicContact CD2-CG1 4.3Å
1327A80Confident81.7Confident9 Ų944.3 Ų44.37%0.07425%0.247CC..SBendtrans-60.5-27.6-168.800000115.3P1329 C1603 V1604 S1605 A1607 K1608 R1611A1327-P1329 WeakPolarHBondContact O-CD 3.49Å; A1327-C1603 PolarHBondContact N-O 2.83Å; A1327-V1604 WeakPolarHBondContact CB-O 3.37Å; A1327-V1604 PolarHBondContact N-O 3.25Å; A1327-S1605 WeakPolarHBondContact CB-O 3.44Å; A1327-A1607 HydrophobicContact CB-CB 4.06Å; A1327-K1608 HydrophobicContact CB-CB 4.07Å; A1327-R1611 PolarHBondContact O-NE 3.44Å
1328A83.7Confident80.9Confident3 Ų348.5 Ų48.53%0.02527%0.268CS..  trans-107.981.6172.300000112.2H352 L1326 Y1330 A1369 C1603H352-A1328 PolarHBondContact NE2-O 2.93Å; L1326-A1328 VanDerWaalsContact C-N 3.26Å; L1326-A1328 PolarHBondContact O-N 2.88Å; L1326-A1328 VanDerWaalsContact O-N 3.14Å; A1328-Y1330 VanDerWaalsContact C-N 3.29Å; A1328-Y1330 PolarHBondContact O-N 3.42Å; A1328-A1369 HydrophobicContact CB-CB 3.91Å; A1328-C1603 HydrophobicContact CB-CB 3.69Å; A1328-C1603 PolarHBondContact N-O 3.01Å
1329P73.7Confident80Confident49 Ų4947.8 Ų47.832%0.31827%0.268SS..  trans-74.8-13.8-175.331-37.4000114.5A1327A1327-P1329 WeakPolarHBondContact O-CD 3.49Å
1330Y82.4Confident79.1Confident63 Ų6350.1 Ų50.125%0.24728%0.284CS..SBendtrans-106.1140.7-178.9-54-64.3000110.8H352 A1328 P1337 P1371H352-Y1330 PolarHBondContact NE2-O 2.78Å; H352-Y1330 VanDerWaalsContact NE2-O 3.14Å; A1328-Y1330 VanDerWaalsContact C-N 3.29Å; A1328-Y1330 PolarHBondContact O-N 3.42Å; Y1330-P1337 HydrophobicContact CE1-CG 4.15Å; Y1330-P1337 WeakPolarHBondContact OH-CG 3.44Å; Y1330-P1371 HydrophobicContact CD2-CG 4.05Å
1331P86Confident78.5Confident11 Ų1152.3 Ų52.37%0.07131%0.307CS..  trans-64.2150166.5-17.231000111R348 R349 H352 S1334R348-P1331 HydrophobicContact CB-CB 4.32Å; R348-P1331 HydrophobicContact CB-CG 4.43Å; R349-P1331 HydrophobicContact CB-CG 4.14Å; H352-P1331 HydrophobicContact CB-CB 3.98Å; H352-P1331 HydrophobicContact CB-CG 3.85Å; P1331-S1334 WeakPolarHBondContact O-CB 3.44Å; P1331-S1334 PolarHBondContact O-N 3.47Å; P1331-S1334 PolarHBondContact O-OG 3.15Å
1332Y85.5Confident78.5Confident7 Ų755.8 Ų55.83%0.02733%0.326CS..THydrogen-bonded Turntrans-54.7149.6173.6-50.2-42.9000112.4F182 S1334 L1368 E1599 C1603F182-Y1332 AromaticContact CE2-CD2 3.5Å; F182-Y1332 HydrophobicContact CE2-CD2 3.5Å; F182-Y1332 VanDerWaalsContact CE2-CD2 3.5Å; F182-Y1332 AromaticContact CE2-CE2 3.6Å; F182-Y1332 HydrophobicContact CE2-CE2 3.6Å; F182-Y1332 AromaticContact CZ-CD2 3.43Å; F182-Y1332 HydrophobicContact CZ-CD2 3.43Å; F182-Y1332 VanDerWaalsContact CZ-CD2 3.43Å; F182-Y1332 AromaticContact CZ-CE2 3.78Å; F182-Y1332 HydrophobicContact CZ-CE2 3.78Å; F182-Y1332 HydrophobicContact CZ-CG 4.09Å; Y1332-S1334 PolarHBondContact O-N 2.91Å; Y1332-S1334 VanDerWaalsContact O-N 3.11Å; Y1332-L1368 HydrophobicContact CD1-CB 3.64Å; Y1332-L1368 HydrophobicContact CD1-CG 4.47Å; Y1332-L1368 HydrophobicContact CE1-CB 3.85Å; Y1332-L1368 HydrophobicContact CG-CB 4.43Å; Y1332-E1599 WeakPolarHBondContact CE2-OE1 3.32Å; Y1332-E1599 VanDerWaalsContact CZ-OE1 3.32Å; Y1332-E1599 WeakPolarHBondContact OH-CG 3.26Å; Y1332-E1599 PolarHBondContact OH-OE1 2.71Å; Y1332-C1603 PolarHBondContact OH-SG 3.29Å
1333F84.9Confident78.8Confident65 Ų6555 Ų5529%0.28532%0.321SS..THydrogen-bonded Turntrans54.826.7-176.9-42.5-68.6000113.9H18 I20 T180 F182 A190 R348 L1368H18-F1333 HydrophobicContact CB-CD1 4.35Å; H18-F1333 HydrophobicContact CB-CE1 3.86Å; H18-F1333 HydrophobicContact CB-CE2 4.32Å; H18-F1333 HydrophobicContact CB-CZ 3.85Å; H18-F1333 AromaticContact CD2-CD2 3.61Å; H18-F1333 AromaticContact CD2-CE2 3.81Å; H18-F1333 AromaticContact CD2-CG 3.81Å; H18-F1333 AromaticContact CE1-CG 3.92Å; H18-F1333 AromaticContact CG-CD1 3.87Å; H18-F1333 AromaticContact CG-CE1 3.88Å; H18-F1333 AromaticContact CG-CG 3.98Å; H18-F1333 AromaticContact ND1-CD1 3.87Å; H18-F1333 AromaticContact NE2-CD2 3.88Å; H18-F1333 AromaticContact NE2-CG 3.79Å; I20-F1333 HydrophobicContact CD1-CZ 4.16Å; I20-F1333 HydrophobicContact CG1-CZ 4.22Å; T180-F1333 HydrophobicContact CG2-CD2 4.09Å; T180-F1333 HydrophobicContact CG2-CE2 3.79Å; F182-F1333 HydrophobicContact CE1-CE2 4.44Å; F182-F1333 HydrophobicContact CE1-CZ 4.37Å; F182-F1333 HydrophobicContact CZ-CE2 4.35Å; A190-F1333 HydrophobicContact CB-CE2 3.69Å; A190-F1333 HydrophobicContact CB-CZ 3.93Å; R348-F1333 PolarHBondContact NH1-O 2.82Å; F1333-L1368 HydrophobicContact CD1-CD2 4.42Å; F1333-L1368 HydrophobicContact CE1-CD2 3.87Å; F1333-L1368 HydrophobicContact CZ-CD2 4.05Å
1334S80.6Confident79.4Confident31 Ų3152.8 Ų52.822%0.21731%0.312CS..PPolyproline II helixtrans-92.2141.6166.8-57.30000110.6P1331 Y1332 A1336P1331-S1334 WeakPolarHBondContact O-CB 3.44Å; P1331-S1334 PolarHBondContact O-N 3.47Å; P1331-S1334 PolarHBondContact O-OG 3.15Å; Y1332-S1334 PolarHBondContact O-N 2.91Å; Y1332-S1334 VanDerWaalsContact O-N 3.11Å; S1334-A1336 PolarHBondContact O-N 2.87Å
1335E70.9Confident80.3Confident189 Ų18948.4 Ų48.488%0.88328%0.276SS*.PPolyproline II helixtrans-66.5126171.3-67.9169.6-166.700110.1
1336A69.4Low81.4Confident11 Ų1145.3 Ų45.39%0.09126%0.256CS..PPolyproline II helixtrans-67.8135.3173.200000110.7S1334 V1338 F1339 P1371 D1372S1334-A1336 PolarHBondContact O-N 2.87Å; A1336-V1338 VanDerWaalsContact C-N 3.3Å; A1336-V1338 PolarHBondContact O-N 3.12Å; A1336-F1339 HydrophobicContact CB-CD2 4.26Å; A1336-F1339 HydrophobicContact CB-CE1 4.42Å; A1336-F1339 HydrophobicContact CB-CE2 3.9Å; A1336-F1339 HydrophobicContact CB-CZ 3.99Å; A1336-P1371 HydrophobicContact CB-CB 4.48Å; A1336-P1371 WeakPolarHBondContact CB-O 3.31Å; A1336-D1372 HydrophobicContact CB-CB 3.82Å
1337P65.8Low82.1Confident95 Ų9544.1 Ų44.162%0.61725%0.25SS*.SBendtrans-72.2-23.7-175.729-35.3000113.4Y1330Y1330-P1337 HydrophobicContact CE1-CG 4.15Å; Y1330-P1337 WeakPolarHBondContact OH-CG 3.44Å
1338V70.4Confident83Confident110 Ų11043.9 Ų43.967%0.66725%0.248SC*.SBendtrans-145.1130.9173.3-1780000106.7A1336 D1372A1336-V1338 VanDerWaalsContact C-N 3.3Å; A1336-V1338 PolarHBondContact O-N 3.12Å; V1338-D1372 WeakPolarHBondContact O-CB 3.25Å
1339F71.1Confident83.7Confident110 Ų11043.8 Ų43.848%0.48225%0.247SC..  trans-94.7132.7169.2-78.3-96.4000109.7P853 A1336 G1341 P1371P853-F1339 HydrophobicContact CB-CE1 4.23Å; P853-F1339 HydrophobicContact CG-CE1 4.34Å; P853-F1339 HydrophobicContact CG-CZ 4.37Å; A1336-F1339 HydrophobicContact CB-CD2 4.26Å; A1336-F1339 HydrophobicContact CB-CE1 4.42Å; A1336-F1339 HydrophobicContact CB-CE2 3.9Å; A1336-F1339 HydrophobicContact CB-CZ 3.99Å; F1339-G1341 PolarHBondContact O-N 2.86Å; F1339-P1371 WeakPolarHBondContact CE1-O 3.38Å
1340S71.8Confident84.8Confident52 Ų5241.6 Ų41.636%0.36423%0.233SC..  trans-68.9124.5161.6179.50000109D1342 D1372 N1374S1340-D1342 VanDerWaalsContact C-N 3.3Å; S1340-D1342 PolarHBondContact OG-N 3.5Å; S1340-D1372 PolarHBondContact N-O 3.32Å; S1340-N1374 WeakPolarHBondContact O-CB 3.23Å
1341G76.8Confident85.3Confident47 Ų4738.8 Ų38.849%0.48522%0.223SC..  trans-68-34.1170.300000112.1F1339 V1343 N1374F1339-G1341 PolarHBondContact O-N 2.86Å; G1341-V1343 PolarHBondContact O-N 2.77Å; G1341-V1343 VanDerWaalsContact O-N 3.09Å; G1341-N1374 PolarHBondContact O-ND2 2.8Å
1342D88.1Confident85.6Confident73 Ų7340.2 Ų40.239%0.3923%0.23SC..SBendtrans-57.7109.2-171.4-72.428.8000112.8S1340 H1344 K1414S1340-D1342 VanDerWaalsContact C-N 3.3Å; S1340-D1342 PolarHBondContact OG-N 3.5Å; D1342-H1344 PolarHBondContact O-N 2.99Å; D1342-K1414 HydrophobicContact CB-CD 3.77Å; D1342-K1414 VanDerWaalsContact CG-CD 3.42Å; D1342-K1414 IonicContact OD1-NZ 2.7Å; D1342-K1414 PolarHBondContact OD1-NZ 3.33Å; D1342-K1414 WeakPolarHBondContact OD2-CD 3.31Å; D1342-K1414 IonicContact OD2-NZ 2.82Å; D1342-K1414 PolarHBondContact OD2-NZ 2.8Å
1343V93.4Very high85.8Confident2 Ų245.7 Ų45.71%0.01226%0.259CS..  trans-62.2127178.9176.50000111.5G1341 N1374 M1409 E1411 P1413 K1414 R1415G1341-V1343 PolarHBondContact O-N 2.77Å; G1341-V1343 VanDerWaalsContact O-N 3.09Å; V1343-N1374 WeakPolarHBondContact CG2-ND2 3.43Å; V1343-M1409 HydrophobicContact CG1-CE 3.47Å; V1343-M1409 VanDerWaalsContact CG1-CE 3.47Å; V1343-E1411 HydrophobicContact CG2-CB 3.94Å; V1343-E1411 HydrophobicContact CG2-CG 3.83Å; V1343-P1413 HydrophobicContact CG1-CB 4.11Å; V1343-K1414 PolarHBondContact O-N 2.85Å; V1343-R1415 PolarHBondContact O-N 2.92Å
1344H96.1Very high86.1Confident0 Ų043.1 Ų43.10%025%0.251CS..EExtended strand (participates in β ladder)trans-118.6113.5172.3-167.8165.9000109.1D1342 N1374 L1375 H1376 R1415 S1417 H1445 F1610D1342-H1344 PolarHBondContact O-N 2.99Å; H1344-N1374 PolarHBondContact N-O 3.27Å; H1344-L1375 HydrophobicContact CB-CD2 3.91Å; H1344-L1375 WeakPolarHBondContact O-CA 3.41Å; H1344-H1376 PolarHBondContact O-N 3.1Å; H1344-R1415 WeakPolarHBondContact CA-O 3.36Å; H1344-R1415 HydrophobicContact CB-CB 4.33Å; H1344-R1415 PolarHBondContact CD2-O 2.92Å; H1344-R1415 VanDerWaalsContact ND1-CZ 3.27Å; H1344-R1415 PolarHBondContact ND1-NE 2.71Å; H1344-R1415 PolarHBondContact ND1-NH2 2.98Å; H1344-S1417 PolarHBondContact CE1-OG 3.01Å; H1344-S1417 PolarHBondContact NE2-OG 3.19Å; H1344-H1445 AromaticContact CE1-ND1 3.94Å; H1344-F1610 PolarHBondContact ND1-O 3.23Å
1345L97.7Very high86.7Confident0 Ų044.4 Ų44.40%026%0.256CS..EExtended strand (participates in β ladder)trans-84.8130.5175.4177.560.7000110.4V1347 H1376 L1378 Y1405 I1406 M1409 P1413 R1415 I1416 S1417L1345-V1347 HydrophobicContact CD2-CG2 4.17Å; L1345-V1347 HydrophobicContact CG-CG2 4.07Å; L1345-H1376 HydrophobicContact CD1-CB 4.21Å; L1345-L1378 HydrophobicContact CD1-CB 4.25Å; L1345-Y1405 HydrophobicContact CD1-CD1 4Å; L1345-Y1405 HydrophobicContact CD1-CE1 3.66Å; L1345-Y1405 HydrophobicContact CD2-CD1 4.44Å; L1345-I1406 HydrophobicContact CD2-CD1 3.95Å; L1345-I1406 HydrophobicContact CD2-CG1 3.68Å; L1345-M1409 HydrophobicContact CD1-SD 4.44Å; L1345-M1409 HydrophobicContact CD2-SD 4.42Å; L1345-P1413 HydrophobicContact CB-CB 3.78Å; L1345-P1413 HydrophobicContact CB-CG 4.07Å; L1345-P1413 HydrophobicContact CD2-CG 4.24Å; L1345-R1415 PolarHBondContact N-O 2.89Å; L1345-I1416 HydrophobicContact CB-CG1 4.39Å; L1345-I1416 CarbonylContact O-C 3.26Å; L1345-I1416 WeakPolarHBondContact O-CA 3.46Å; L1345-S1417 PolarHBondContact O-N 3.15Å
1346I98.1Very high87.7Confident0 Ų035.9 Ų35.90%022%0.217CC..EExtended strand (participates in β ladder)trans-110.9119.7172.3-45.9-58.8000108.1H1376 F1377 L1378 S1417 I1419 F1610I1346-H1376 PolarHBondContact N-O 2.83Å; I1346-F1377 HydrophobicContact CB-CD1 3.7Å; I1346-F1377 HydrophobicContact CB-CE1 3.68Å; I1346-F1377 HydrophobicContact CB-CG 4.18Å; I1346-F1377 HydrophobicContact CB-CZ 4.14Å; I1346-F1377 HydrophobicContact CG1-CD1 4.29Å; I1346-F1377 HydrophobicContact CG1-CE1 3.91Å; I1346-F1377 HydrophobicContact CG1-CE2 4.14Å; I1346-F1377 HydrophobicContact CG1-CZ 3.83Å; I1346-F1377 HydrophobicContact CG2-CD1 3.9Å; I1346-F1377 HydrophobicContact CG2-CE1 3.64Å; I1346-F1377 HydrophobicContact CG2-CZ 4.38Å; I1346-F1377 WeakPolarHBondContact O-CA 3.22Å; I1346-L1378 PolarHBondContact O-N 2.99Å; I1346-S1417 CarbonylContact C-O 3.51Å; I1346-S1417 WeakPolarHBondContact CA-O 3.43Å; I1346-I1419 HydrophobicContact CG2-CD1 3.56Å; I1346-I1419 HydrophobicContact CG2-CG1 3.85Å; I1346-F1610 HydrophobicContact CD1-CD1 3.78Å; I1346-F1610 HydrophobicContact CD1-CE1 4.1Å
1347V98.5Very high88.6Confident0 Ų037.5 Ų37.50%023%0.227CC..EExtended strand (participates in β ladder)trans-103.7116.7177.5-175.50000109.3L1345 V1349 L1378 L1398 I1402 I1416 S1417 F1418 I1419L1345-V1347 HydrophobicContact CD2-CG2 4.17Å; L1345-V1347 HydrophobicContact CG-CG2 4.07Å; V1347-V1349 HydrophobicContact CG1-CG2 4.16Å; V1347-L1378 HydrophobicContact CG1-CD2 4.18Å; V1347-L1378 HydrophobicContact CG1-CG 4.42Å; V1347-L1378 HydrophobicContact CG2-CB 4.43Å; V1347-L1378 HydrophobicContact CG2-CD2 4.42Å; V1347-L1398 HydrophobicContact CG1-CD1 4.28Å; V1347-I1402 HydrophobicContact CG1-CD1 4.09Å; V1347-I1402 HydrophobicContact CG1-CG1 4.04Å; V1347-I1402 HydrophobicContact CG2-CG1 4.29Å; V1347-I1416 HydrophobicContact CG2-CG2 4.4Å; V1347-S1417 PolarHBondContact N-O 3.39Å; V1347-F1418 HydrophobicContact CB-CD1 3.7Å; V1347-F1418 HydrophobicContact CB-CE1 3.76Å; V1347-F1418 HydrophobicContact CB-CG 4.36Å; V1347-F1418 HydrophobicContact CB-CZ 4.44Å; V1347-F1418 HydrophobicContact CG1-CD1 3.97Å; V1347-F1418 HydrophobicContact CG1-CE1 3.82Å; V1347-F1418 HydrophobicContact CG2-CD1 4.41Å; V1347-F1418 HydrophobicContact CG2-CE1 4.08Å; V1347-F1418 HydrophobicContact CG2-CZ 4.31Å; V1347-F1418 CarbonylContact O-C 3.59Å; V1347-F1418 WeakPolarHBondContact O-CA 3.34Å; V1347-I1419 PolarHBondContact O-N 3.31Å
1348C98.5Very high89.9Confident3 Ų335.5 Ų35.52%0.0221%0.211CC..EExtended strand (participates in β ladder)trans-103.3123-178.1-71.60000110.6L1359 L1378 M1379 S1380 I1419C1348-L1359 HydrophobicContact CB-CB 4.09Å; C1348-L1359 HydrophobicContact CB-CD1 3.71Å; C1348-L1378 PolarHBondContact N-O 2.81Å; C1348-M1379 HydrophobicContact CB-CE 3.68Å; C1348-M1379 HydrophobicContact CB-SD 3.7Å; C1348-S1380 WeakPolarHBondContact O-CB 3.3Å; C1348-S1380 PolarHBondContact O-N 2.83Å; C1348-I1419 CarbonylContact C-O 3.58Å; C1348-I1419 WeakPolarHBondContact CA-O 3.38Å
1349V98.3Very high90.9Very high1 Ų130.4 Ų30.41%0.00618%0.18CC..EExtended strand (participates in β ladder)trans-125.5123-176.4-170.60000111.1V1347 L1359 L1398 I1419 G1420 H1421 I1427 I1428V1347-V1349 HydrophobicContact CG1-CG2 4.16Å; V1349-L1359 WeakPolarHBondContact O-CD1 3.37Å; V1349-L1398 HydrophobicContact CG1-CD2 4.37Å; V1349-L1398 HydrophobicContact CG2-CD1 3.86Å; V1349-L1398 HydrophobicContact CG2-CD2 3.82Å; V1349-I1419 PolarHBondContact N-O 2.85Å; V1349-G1420 WeakPolarHBondContact O-CA 3.34Å; V1349-H1421 PolarHBondContact O-N 2.87Å; V1349-H1421 VanDerWaalsContact O-N 3.07Å; V1349-I1427 HydrophobicContact CG1-CB 4.4Å; V1349-I1427 HydrophobicContact CG1-CD1 4.31Å; V1349-I1428 HydrophobicContact CB-CD1 3.87Å; V1349-I1428 HydrophobicContact CB-CG1 4.03Å; V1349-I1428 HydrophobicContact CG2-CD1 3.81Å; V1349-I1428 HydrophobicContact CG2-CG1 3.66Å
1350H96.6Very high91.8Very high4 Ų425.7 Ų25.72%0.01916%0.159CC..  trans-78.6170.6-172.964.678.1000114.2G1354 N1355 S1380 Q1384 G1424H1350-G1354 PolarHBondContact CE1-O 2.94Å; H1350-G1354 PolarHBondContact ND1-O 2.92Å; H1350-N1355 VanDerWaalsContact CB-O 3.3Å; H1350-N1355 WeakPolarHBondContact CB-O 3.48Å; H1350-S1380 PolarHBondContact CD2-O 3.37Å; H1350-Q1384 PolarHBondContact NE2-N 2.96Å; H1350-G1424 WeakPolarHBondContact O-CA 3.17Å; H1350-G1424 PolarHBondContact O-N 3.12Å
1351G93.8Very high92.7Very high4 Ų423.4 Ų23.44%0.04114%0.142CC..  trans-83.1-176.2176.900000114.6G1354 H1421G1351-G1354 PolarHBondContact O-N 3.28Å; G1351-H1421 WeakPolarHBondContact CA-O 3.21Å
1352L91.8Very high93.5Very high41 Ų4121.3 Ų21.322%0.21512%0.12CC..THydrogen-bonded Turntrans-62.4135.1170.9179.774.1000110.7G1354 T1387 F1388 M1423 M1472 L1481L1352-G1354 PolarHBondContact O-N 3Å; L1352-T1387 VanDerWaalsContact CD1-O 3.24Å; L1352-T1387 WeakPolarHBondContact CD1-O 3.26Å; L1352-F1388 HydrophobicContact CD1-CD1 3.85Å; L1352-F1388 HydrophobicContact CD1-CE1 3.71Å; L1352-F1388 HydrophobicContact CD1-CZ 4.26Å; L1352-F1388 HydrophobicContact CG-CE1 4.29Å; L1352-M1423 HydrophobicContact CB-CB 4.22Å; L1352-M1423 HydrophobicContact CB-CE 4.28Å; L1352-M1423 HydrophobicContact CB-SD 4.03Å; L1352-M1423 HydrophobicContact CD1-CE 4.2Å; L1352-M1423 HydrophobicContact CD1-SD 3.88Å; L1352-M1472 HydrophobicContact CD2-CE 3.92Å; L1352-L1481 HydrophobicContact CD2-CD1 4.35Å; L1352-L1481 HydrophobicContact CD2-CD2 3.7Å; L1352-L1481 HydrophobicContact CD2-CG 4.22Å
1353D89.3Confident93.7Very high122 Ų12221.1 Ų21.165%0.65211%0.114SC*.THydrogen-bonded Turntrans58.419.3-175.6-134.950.4000113.1T1387 F1388 K1476D1353-T1387 PolarHBondContact N-OG1 2.86Å; D1353-F1388 WeakPolarHBondContact OD1-CZ 3.19Å; D1353-K1476 IonicContact OD1-NZ 3.8Å
1354G90.7Very high93.6Very high11 Ų1121.6 Ų21.611%0.11312%0.117CC..  trans-106.1-176.9177.800000114.1H1350 G1351 L1352 D1358H1350-G1354 PolarHBondContact CE1-O 2.94Å; H1350-G1354 PolarHBondContact ND1-O 2.92Å; G1351-G1354 PolarHBondContact O-N 3.28Å; L1352-G1354 PolarHBondContact O-N 3Å; G1354-D1358 WeakPolarHBondContact CA-OD2 3.47Å
1355N93.1Very high93.4Very high58 Ų5821.8 Ų21.831%0.3112%0.118SC..  trans-150.8171.2-172.56893.7000112.7H1350 C1357 D1358 Q1384H1350-N1355 VanDerWaalsContact CB-O 3.3Å; H1350-N1355 WeakPolarHBondContact CB-O 3.48Å; N1355-C1357 PolarHBondContact O-N 3.31Å; N1355-C1357 VanDerWaalsContact O-N 3.14Å; N1355-C1357 VanDerWaalsContact OD1-CB 3.28Å; N1355-C1357 WeakPolarHBondContact OD1-CB 3.41Å; N1355-C1357 PolarHBondContact OD1-N 3.22Å; N1355-D1358 PolarHBondContact N-OD2 2.79Å; N1355-D1358 PolarHBondContact ND2-OD1 3.03Å; N1355-D1358 PolarHBondContact ND2-OD2 3.12Å; N1355-D1358 VanDerWaalsContact ND2-OD2 3.13Å; N1355-D1358 WeakPolarHBondContact O-CB 3.15Å; N1355-D1358 PolarHBondContact O-N 3.23Å; N1355-D1358 VanDerWaalsContact O-N 3.12Å; N1355-Q1384 HydrophobicContact CB-CB 4.41Å
1356S92.9Very high93.2Very high10 Ų1021.9 Ų21.97%0.0712%0.118CC..G310 helixtrans-58.3-28.2-176.266.40000115.2D1358 M1379 S1380 E1381S1356-D1358 VanDerWaalsContact C-N 3.34Å; S1356-D1358 PolarHBondContact O-N 3.23Å; S1356-M1379 WeakPolarHBondContact O-CE 3.3Å; S1356-S1380 WeakPolarHBondContact CB-O 3.19Å; S1356-E1381 WeakPolarHBondContact OG-CG 3.4Å; S1356-E1381 PolarHBondContact OG-OE1 2.82Å
1357C89Confident92.8Very high44 Ų4424 Ų2430%0.29713%0.128SC..G310 helixtrans-77.6-15.8-179.2-64.20000113.4Y185 N1355 L1359 R1360Y185-C1357 PolarHBondContact OH-O 3.4Å; Y185-C1357 VanDerWaalsContact OH-O 3.07Å; N1355-C1357 PolarHBondContact O-N 3.31Å; N1355-C1357 VanDerWaalsContact O-N 3.14Å; N1355-C1357 VanDerWaalsContact OD1-CB 3.28Å; N1355-C1357 WeakPolarHBondContact OD1-CB 3.41Å; N1355-C1357 PolarHBondContact OD1-N 3.22Å; C1357-L1359 PolarHBondContact O-N 3.21Å; C1357-L1359 VanDerWaalsContact O-N 3.15Å; C1357-R1360 WeakPolarHBondContact O-CB 3.17Å; C1357-R1360 PolarHBondContact O-N 3.27Å
1358D91.2Very high92.3Very high53 Ų5325.2 Ų25.228%0.28313%0.134SC..G310 helixtrans-63.9-24.9-175.3-64.4-24.6000113.2G1354 N1355 S1356 L1592G1354-D1358 WeakPolarHBondContact CA-OD2 3.47Å; N1355-D1358 PolarHBondContact N-OD2 2.79Å; N1355-D1358 PolarHBondContact ND2-OD1 3.03Å; N1355-D1358 PolarHBondContact ND2-OD2 3.12Å; N1355-D1358 VanDerWaalsContact ND2-OD2 3.13Å; N1355-D1358 WeakPolarHBondContact O-CB 3.15Å; N1355-D1358 PolarHBondContact O-N 3.23Å; N1355-D1358 VanDerWaalsContact O-N 3.12Å; S1356-D1358 VanDerWaalsContact C-N 3.34Å; S1356-D1358 PolarHBondContact O-N 3.23Å; D1358-L1592 HydrophobicContact CB-CD1 4.24Å
1359L92.6Very high91.9Very high3 Ų325.1 Ų25.12%0.01613%0.134CC..G310 helixtrans-95.77.6175.8-75.1167.7000113.8C1348 V1349 C1357 L1361 V1362 R1363 M1379 I1419 H1421 L1450 L1592C1348-L1359 HydrophobicContact CB-CB 4.09Å; C1348-L1359 HydrophobicContact CB-CD1 3.71Å; V1349-L1359 WeakPolarHBondContact O-CD1 3.37Å; C1357-L1359 PolarHBondContact O-N 3.21Å; C1357-L1359 VanDerWaalsContact O-N 3.15Å; L1359-L1361 PolarHBondContact O-N 2.82Å; L1359-V1362 HydrophobicContact CD2-CB 4.4Å; L1359-V1362 HydrophobicContact CD2-CG2 3.82Å; L1359-V1362 WeakPolarHBondContact O-CB 3.18Å; L1359-V1362 PolarHBondContact O-N 2.95Å; L1359-V1362 VanDerWaalsContact O-N 3.12Å; L1359-R1363 PolarHBondContact O-N 2.96Å; L1359-R1363 VanDerWaalsContact O-N 3.08Å; L1359-M1379 HydrophobicContact CB-CE 3.75Å; L1359-I1419 HydrophobicContact CD1-CG2 4.44Å; L1359-I1419 HydrophobicContact CD2-CG2 3.95Å; L1359-H1421 HydrophobicContact CD2-CB 4.4Å; L1359-L1450 HydrophobicContact CD2-CD1 4.06Å; L1359-L1592 HydrophobicContact CD2-CD2 3.69Å
1360R89.8Confident91.5Very high12 Ų1225.1 Ų25.15%0.04513%0.134CC..Hα-helixtrans-59.3-41.9-175.3172.5172.3167.5-112.614.5114D21 Y23 Y185 C1357 V1362 R1363 V1364D21-R1360 PolarHBondContact O-NH2 3.37Å; D21-R1360 IonicContact OD2-CZ 3.27Å; D21-R1360 IonicContact OD2-NE 3.32Å; D21-R1360 PolarHBondContact OD2-NE 2.82Å; D21-R1360 IonicContact OD2-NH2 2.96Å; D21-R1360 PolarHBondContact OD2-NH2 2.7Å; Y23-R1360 WeakPolarHBondContact OH-CD 3.44Å; Y23-R1360 VanDerWaalsContact OH-CZ 3.28Å; Y23-R1360 PolarHBondContact OH-NE 3.23Å; Y185-R1360 VanDerWaalsContact CD2-NH1 3.32Å; Y185-R1360 HydrophobicContact CE2-CB 4.24Å; Y185-R1360 HydrophobicContact CE2-CG 4.33Å; Y185-R1360 PolarHBondContact O-NH1 2.82Å; C1357-R1360 WeakPolarHBondContact O-CB 3.17Å; C1357-R1360 PolarHBondContact O-N 3.27Å; R1360-V1362 VanDerWaalsContact C-N 3.32Å; R1360-V1362 PolarHBondContact O-N 3.06Å; R1360-R1363 PolarHBondContact O-N 3.12Å; R1360-V1364 WeakPolarHBondContact O-CG2 3.13Å; R1360-V1364 PolarHBondContact O-N 3.42Å
1361L90.3Very high91Very high3 Ų326.5 Ų26.52%0.01614%0.143CC..Hα-helixtrans-66-36.1176.4-73178000111.9Y185 L188 L1359 V1364 Y1365 E1595 L1598Y185-L1361 HydrophobicContact CD2-CD1 3.79Å; Y185-L1361 HydrophobicContact CD2-CD2 3.89Å; Y185-L1361 HydrophobicContact CD2-CG 3.58Å; Y185-L1361 HydrophobicContact CE2-CD1 4.44Å; Y185-L1361 HydrophobicContact CE2-CG 3.99Å; Y185-L1361 HydrophobicContact CG-CD1 4.42Å; L188-L1361 HydrophobicContact CD1-CD2 4.2Å; L188-L1361 HydrophobicContact CD2-CD2 4.01Å; L1359-L1361 PolarHBondContact O-N 2.82Å; L1361-V1364 PolarHBondContact O-N 3.06Å; L1361-Y1365 HydrophobicContact CB-CD2 4.44Å; L1361-Y1365 HydrophobicContact CD2-CE2 4.35Å; L1361-Y1365 VanDerWaalsContact O-CD2 3.3Å; L1361-Y1365 WeakPolarHBondContact O-CD2 3.16Å; L1361-Y1365 PolarHBondContact O-N 2.84Å; L1361-E1595 HydrophobicContact CD1-CG 4.48Å; L1361-L1598 HydrophobicContact CB-CD1 3.43Å; L1361-L1598 VanDerWaalsContact CB-CD1 3.43Å; L1361-L1598 HydrophobicContact CD1-CD1 4.32Å
1362V93.7Very high90.6Very high3 Ų327.5 Ų27.52%0.01815%0.148CC..Hα-helixtrans-62-45.7175.6-169.70000110.3L1359 R1360 L1366 I1419 L1450 L1592 L1598 I1602L1359-V1362 HydrophobicContact CD2-CB 4.4Å; L1359-V1362 HydrophobicContact CD2-CG2 3.82Å; L1359-V1362 WeakPolarHBondContact O-CB 3.18Å; L1359-V1362 PolarHBondContact O-N 2.95Å; L1359-V1362 VanDerWaalsContact O-N 3.12Å; R1360-V1362 VanDerWaalsContact C-N 3.32Å; R1360-V1362 PolarHBondContact O-N 3.06Å; V1362-L1366 WeakPolarHBondContact O-CB 3.31Å; V1362-L1366 PolarHBondContact O-N 2.87Å; V1362-I1419 HydrophobicContact CG1-CD1 4Å; V1362-I1419 HydrophobicContact CG1-CG2 4.25Å; V1362-L1450 HydrophobicContact CG2-CD1 4.23Å; V1362-L1592 HydrophobicContact CG2-CD2 4.43Å; V1362-L1598 HydrophobicContact CG2-CD1 4.1Å; V1362-L1598 HydrophobicContact CG2-CD2 3.89Å; V1362-I1602 HydrophobicContact CG1-CD1 4.26Å
1363R93.4Very high90.5Very high70 Ų7026.6 Ų26.626%0.26414%0.144SC..Hα-helixtrans-56.8-53.9172.1164.1175167.8167.5-6.4111.6L1359 R1360 L1366 Q1367 F1377 M1379L1359-R1363 PolarHBondContact O-N 2.96Å; L1359-R1363 VanDerWaalsContact O-N 3.08Å; R1360-R1363 PolarHBondContact O-N 3.12Å; R1363-L1366 PolarHBondContact O-N 3.38Å; R1363-Q1367 HydrophobicContact CG-CG 4.4Å; R1363-Q1367 VanDerWaalsContact NE-OE1 3.08Å; R1363-Q1367 WeakPolarHBondContact O-CB 3.16Å; R1363-Q1367 WeakPolarHBondContact O-CG 3.24Å; R1363-Q1367 PolarHBondContact O-N 3.34Å; R1363-F1377 HydrophobicContact CB-CD1 3.76Å; R1363-F1377 HydrophobicContact CB-CE1 3.71Å; R1363-F1377 HydrophobicContact CB-CG 4.46Å; R1363-F1377 HydrophobicContact CB-CZ 4.38Å; R1363-F1377 HydrophobicContact CG-CB 4.45Å; R1363-F1377 HydrophobicContact CG-CD1 3.62Å; R1363-F1377 HydrophobicContact CG-CD2 4.16Å; R1363-F1377 HydrophobicContact CG-CE1 3.77Å; R1363-F1377 HydrophobicContact CG-CE2 4.3Å; R1363-F1377 HydrophobicContact CG-CG 3.82Å; R1363-F1377 HydrophobicContact CG-CZ 4.1Å; R1363-M1379 HydrophobicContact CB-SD 4.23Å
1364V90.2Very high90.6Very high11 Ų1123.3 Ų23.37%0.06713%0.127CC..Hα-helixtrans-61.1-49.6-174.41660000111.7I20 L188 R1360 L1361 L1366 Q1367 L1368I20-V1364 HydrophobicContact CG2-CG1 3.86Å; I20-V1364 HydrophobicContact CG2-CG2 4.02Å; L188-V1364 HydrophobicContact CD2-CG1 4.35Å; L188-V1364 HydrophobicContact CD2-CG2 4.01Å; R1360-V1364 WeakPolarHBondContact O-CG2 3.13Å; R1360-V1364 PolarHBondContact O-N 3.42Å; L1361-V1364 PolarHBondContact O-N 3.06Å; V1364-L1366 VanDerWaalsContact C-N 3.34Å; V1364-L1366 PolarHBondContact O-N 3.18Å; V1364-Q1367 PolarHBondContact O-N 3.16Å; V1364-L1368 HydrophobicContact CG1-CD1 3.73Å; V1364-L1368 HydrophobicContact CG1-CG 4.42Å; V1364-L1368 WeakPolarHBondContact O-CB 3.48Å; V1364-L1368 VanDerWaalsContact O-CG 3.25Å; V1364-L1368 WeakPolarHBondContact O-CG 3.48Å; V1364-L1368 PolarHBondContact O-N 3.27Å
1365Y92Very high90.7Very high5 Ų523.2 Ų23.22%0.0212%0.123CC..Hα-helixtrans-66.1-34.2178.2-77.2-64.7000112.6L1361 L1368 A1369 L1598 E1599L1361-Y1365 HydrophobicContact CB-CD2 4.44Å; L1361-Y1365 HydrophobicContact CD2-CE2 4.35Å; L1361-Y1365 VanDerWaalsContact O-CD2 3.3Å; L1361-Y1365 WeakPolarHBondContact O-CD2 3.16Å; L1361-Y1365 PolarHBondContact O-N 2.84Å; Y1365-L1368 PolarHBondContact O-N 3.22Å; Y1365-A1369 VanDerWaalsContact O-CB 3.24Å; Y1365-A1369 WeakPolarHBondContact O-CB 3.36Å; Y1365-A1369 PolarHBondContact O-N 2.76Å; Y1365-L1598 HydrophobicContact CD2-CB 3.9Å; Y1365-L1598 HydrophobicContact CE2-CB 4.21Å; Y1365-E1599 HydrophobicContact CD1-CB 3.96Å; Y1365-E1599 HydrophobicContact CD1-CG 4.07Å; Y1365-E1599 HydrophobicContact CE1-CB 3.56Å; Y1365-E1599 HydrophobicContact CE1-CG 3.72Å; Y1365-E1599 HydrophobicContact CE2-CB 4.38Å
1366L93.3Very high90.8Very high2 Ų221.9 Ų21.91%0.0112%0.115CC..Hα-helixtrans-68.5-40.3176.2-172.961.3000112V1362 R1363 V1364 A1369 L1370 L1375 F1377 I1419 I1602 A1607 F1610V1362-L1366 WeakPolarHBondContact O-CB 3.31Å; V1362-L1366 PolarHBondContact O-N 2.87Å; R1363-L1366 PolarHBondContact O-N 3.38Å; V1364-L1366 VanDerWaalsContact C-N 3.34Å; V1364-L1366 PolarHBondContact O-N 3.18Å; L1366-A1369 PolarHBondContact O-N 2.83Å; L1366-L1370 HydrophobicContact CD1-CD1 3.6Å; L1366-L1370 HydrophobicContact CD1-CG 4.26Å; L1366-L1370 HydrophobicContact CG-CD1 4.28Å; L1366-L1370 WeakPolarHBondContact O-CB 3.25Å; L1366-L1370 PolarHBondContact O-N 3.08Å; L1366-L1370 VanDerWaalsContact O-N 3.15Å; L1366-L1375 HydrophobicContact CG-CD1 4.17Å; L1366-F1377 HydrophobicContact CB-CZ 4.38Å; L1366-F1377 HydrophobicContact CD2-CE1 4.34Å; L1366-F1377 HydrophobicContact CD2-CZ 4.04Å; L1366-F1377 HydrophobicContact CG-CZ 4.39Å; L1366-I1419 HydrophobicContact CD2-CD1 4.25Å; L1366-I1602 HydrophobicContact CB-CG2 4.45Å; L1366-I1602 HydrophobicContact CD1-CG2 4.18Å; L1366-A1607 HydrophobicContact CD1-CB 4.2Å; L1366-F1610 HydrophobicContact CD1-CB 4.33Å; L1366-F1610 HydrophobicContact CD1-CD2 3.87Å; L1366-F1610 HydrophobicContact CD1-CE2 4.35Å; L1366-F1610 HydrophobicContact CD1-CG 4.11Å; L1366-F1610 HydrophobicContact CD2-CD1 4.01Å; L1366-F1610 HydrophobicContact CD2-CD2 4.29Å; L1366-F1610 HydrophobicContact CD2-CE1 4.02Å; L1366-F1610 HydrophobicContact CD2-CE2 4.31Å; L1366-F1610 HydrophobicContact CD2-CG 4.15Å; L1366-F1610 HydrophobicContact CD2-CZ 4.17Å
1367Q89.6Confident90.9Very high45 Ų4521.6 Ų21.621%0.2111%0.113CC..Hα-helixtrans-63.9-41.7173.2-71.2-178-57.800111.8R1363 V1364 F1377R1363-Q1367 HydrophobicContact CG-CG 4.4Å; R1363-Q1367 VanDerWaalsContact NE-OE1 3.08Å; R1363-Q1367 WeakPolarHBondContact O-CB 3.16Å; R1363-Q1367 WeakPolarHBondContact O-CG 3.24Å; R1363-Q1367 PolarHBondContact O-N 3.34Å; V1364-Q1367 PolarHBondContact O-N 3.16Å; Q1367-F1377 HydrophobicContact CG-CD2 4.07Å; Q1367-F1377 HydrophobicContact CG-CE2 3.29Å; Q1367-F1377 HydrophobicContact CG-CZ 3.78Å
1368L88Confident91.3Very high25 Ų2520.1 Ų20.113%0.13110%0.102CC..Hα-helixtrans-71.4-29.3178.6-71.7173.4000113.7F182 Y1332 F1333 V1364 Y1365F182-L1368 HydrophobicContact CE1-CD1 3.77Å; F182-L1368 HydrophobicContact CZ-CD1 3.96Å; Y1332-L1368 HydrophobicContact CD1-CB 3.64Å; Y1332-L1368 HydrophobicContact CD1-CG 4.47Å; Y1332-L1368 HydrophobicContact CE1-CB 3.85Å; Y1332-L1368 HydrophobicContact CG-CB 4.43Å; F1333-L1368 HydrophobicContact CD1-CD2 4.42Å; F1333-L1368 HydrophobicContact CE1-CD2 3.87Å; F1333-L1368 HydrophobicContact CZ-CD2 4.05Å; V1364-L1368 HydrophobicContact CG1-CD1 3.73Å; V1364-L1368 HydrophobicContact CG1-CG 4.42Å; V1364-L1368 WeakPolarHBondContact O-CB 3.48Å; V1364-L1368 VanDerWaalsContact O-CG 3.25Å; V1364-L1368 WeakPolarHBondContact O-CG 3.48Å; V1364-L1368 PolarHBondContact O-N 3.27Å; Y1365-L1368 PolarHBondContact O-N 3.22Å
1369A89.5Confident91.5Very high1 Ų119.1 Ų19.11%0.00810%0.096CC..Hα-helixtrans-80.4-24176.600000113.9A1328 Y1365 L1366 P1371 I1602 A1607A1328-A1369 HydrophobicContact CB-CB 3.91Å; Y1365-A1369 VanDerWaalsContact O-CB 3.24Å; Y1365-A1369 WeakPolarHBondContact O-CB 3.36Å; Y1365-A1369 PolarHBondContact O-N 2.76Å; L1366-A1369 PolarHBondContact O-N 2.83Å; A1369-P1371 WeakPolarHBondContact O-CD 3.36Å; A1369-I1602 HydrophobicContact CB-CG2 3.81Å; A1369-A1607 HydrophobicContact CB-CB 3.89Å
1370L89.7Confident91.8Very high1 Ų119 Ų191%0.00510%0.095CC..  trans-122.552.7-175.2-59.1-178.5000113.1L1366 D1372 C1373 L1375 A1607 F1610 R1611L1366-L1370 HydrophobicContact CD1-CD1 3.6Å; L1366-L1370 HydrophobicContact CD1-CG 4.26Å; L1366-L1370 HydrophobicContact CG-CD1 4.28Å; L1366-L1370 WeakPolarHBondContact O-CB 3.25Å; L1366-L1370 PolarHBondContact O-N 3.08Å; L1366-L1370 VanDerWaalsContact O-N 3.15Å; L1370-D1372 PolarHBondContact O-N 3.39Å; L1370-C1373 HydrophobicContact CB-CB 4.13Å; L1370-C1373 PolarHBondContact O-N 3.17Å; L1370-L1375 HydrophobicContact CB-CD1 4.04Å; L1370-L1375 HydrophobicContact CD1-CD1 4.09Å; L1370-A1607 HydrophobicContact CD1-CB 4.26Å; L1370-A1607 HydrophobicContact CD2-CB 3.87Å; L1370-A1607 HydrophobicContact CG-CB 4Å; L1370-F1610 HydrophobicContact CD1-CB 3.69Å; L1370-R1611 HydrophobicContact CD2-CG 3.52Å; L1370-R1611 VanDerWaalsContact CD2-CZ 3.41Å
1371P87.2Confident92.1Very high33 Ų3322.9 Ų22.921%0.21411%0.114CC..THydrogen-bonded Turntrans-66-11.8-177.931.1-37.6000113.5Y1330 A1336 F1339 A1369Y1330-P1371 HydrophobicContact CD2-CG 4.05Å; A1336-P1371 HydrophobicContact CB-CB 4.48Å; A1336-P1371 WeakPolarHBondContact CB-O 3.31Å; F1339-P1371 WeakPolarHBondContact CE1-O 3.38Å; A1369-P1371 WeakPolarHBondContact O-CD 3.36Å
1372D86.3Confident92.3Very high25 Ų2524.6 Ų24.613%0.13413%0.126CC..THydrogen-bonded Turntrans-90.1-3.5175.552.3-37.2000114.2A1336 V1338 S1340 L1370 R1611A1336-D1372 HydrophobicContact CB-CB 3.82Å; V1338-D1372 WeakPolarHBondContact O-CB 3.25Å; S1340-D1372 PolarHBondContact N-O 3.32Å; L1370-D1372 PolarHBondContact O-N 3.39Å; D1372-R1611 IonicContact OD1-CZ 3.21Å; D1372-R1611 IonicContact OD1-NH1 3.9Å; D1372-R1611 PolarHBondContact OD1-NH1 3.33Å; D1372-R1611 IonicContact OD1-NH2 3.83Å; D1372-R1611 PolarHBondContact OD1-NH2 3.23Å; D1372-R1611 IonicContact OD2-CZ 3.49Å; D1372-R1611 IonicContact OD2-NH1 2.65Å; D1372-R1611 PolarHBondContact OD2-NH1 2.88Å; D1372-R1611 IonicContact OD2-NH2 3.46Å
1373C88.8Confident92.4Very high22 Ų2224.4 Ų24.415%0.14913%0.125CC..SBendtrans-108.7136.3-179.3-61.80000112.3L1370 L1375L1370-C1373 HydrophobicContact CB-CB 4.13Å; L1370-C1373 PolarHBondContact O-N 3.17Å; C1373-L1375 VanDerWaalsContact C-N 3.34Å; C1373-L1375 HydrophobicContact CB-CD2 3.71Å; C1373-L1375 HydrophobicContact CB-CG 3.87Å; C1373-L1375 PolarHBondContact O-N 3.32Å
1374N90.8Very high92.3Very high52 Ų5224.1 Ų24.128%0.27813%0.126SC..  trans-79.579174.7-170.310.6000111.2S1340 G1341 V1343 H1344S1340-N1374 WeakPolarHBondContact O-CB 3.23Å; G1341-N1374 PolarHBondContact O-ND2 2.8Å; V1343-N1374 WeakPolarHBondContact CG2-ND2 3.43Å; H1344-N1374 PolarHBondContact N-O 3.27Å
1375L93Very high92.3Very high9 Ų931.1 Ų31.15%0.04716%0.163CC..EExtended strand (participates in β ladder)trans-93.1113.6-176-54.6-173.9000112.4H1344 L1366 L1370 C1373 F1377H1344-L1375 HydrophobicContact CB-CD2 3.91Å; H1344-L1375 WeakPolarHBondContact O-CA 3.41Å; L1366-L1375 HydrophobicContact CG-CD1 4.17Å; L1370-L1375 HydrophobicContact CB-CD1 4.04Å; L1370-L1375 HydrophobicContact CD1-CD1 4.09Å; C1373-L1375 VanDerWaalsContact C-N 3.34Å; C1373-L1375 HydrophobicContact CB-CD2 3.71Å; C1373-L1375 HydrophobicContact CB-CG 3.87Å; C1373-L1375 PolarHBondContact O-N 3.32Å; L1375-F1377 HydrophobicContact CB-CD2 4.31Å; L1375-F1377 HydrophobicContact CB-CE2 3.61Å; L1375-F1377 HydrophobicContact CB-CZ 4.44Å; L1375-F1377 HydrophobicContact CD1-CE2 4.18Å; L1375-F1377 HydrophobicContact CD1-CZ 4.31Å
1376H94.6Very high92.2Very high30 Ų3033.6 Ų33.614%0.13918%0.177CC..EExtended strand (participates in β ladder)trans-94.8148.8167.4-77.5-113.7000110.4H1344 L1345 I1346 M1409H1344-H1376 PolarHBondContact O-N 3.1Å; L1345-H1376 HydrophobicContact CD1-CB 4.21Å; I1346-H1376 PolarHBondContact N-O 2.83Å; H1376-M1409 HydrophobicContact CB-CE 4.02Å
1377F95.8Very high92.1Very high5 Ų533.6 Ų33.62%0.02218%0.177CC..EExtended strand (participates in β ladder)trans-132.5112.3-174.7-78.1-99.5000112.1I1346 R1363 L1366 Q1367 L1375 M1379I1346-F1377 HydrophobicContact CB-CD1 3.7Å; I1346-F1377 HydrophobicContact CB-CE1 3.68Å; I1346-F1377 HydrophobicContact CB-CG 4.18Å; I1346-F1377 HydrophobicContact CB-CZ 4.14Å; I1346-F1377 HydrophobicContact CG1-CD1 4.29Å; I1346-F1377 HydrophobicContact CG1-CE1 3.91Å; I1346-F1377 HydrophobicContact CG1-CE2 4.14Å; I1346-F1377 HydrophobicContact CG1-CZ 3.83Å; I1346-F1377 HydrophobicContact CG2-CD1 3.9Å; I1346-F1377 HydrophobicContact CG2-CE1 3.64Å; I1346-F1377 HydrophobicContact CG2-CZ 4.38Å; I1346-F1377 WeakPolarHBondContact O-CA 3.22Å; R1363-F1377 HydrophobicContact CB-CD1 3.76Å; R1363-F1377 HydrophobicContact CB-CE1 3.71Å; R1363-F1377 HydrophobicContact CB-CG 4.46Å; R1363-F1377 HydrophobicContact CB-CZ 4.38Å; R1363-F1377 HydrophobicContact CG-CB 4.45Å; R1363-F1377 HydrophobicContact CG-CD1 3.62Å; R1363-F1377 HydrophobicContact CG-CD2 4.16Å; R1363-F1377 HydrophobicContact CG-CE1 3.77Å; R1363-F1377 HydrophobicContact CG-CE2 4.3Å; R1363-F1377 HydrophobicContact CG-CG 3.82Å; R1363-F1377 HydrophobicContact CG-CZ 4.1Å; L1366-F1377 HydrophobicContact CB-CZ 4.38Å; L1366-F1377 HydrophobicContact CD2-CE1 4.34Å; L1366-F1377 HydrophobicContact CD2-CZ 4.04Å; L1366-F1377 HydrophobicContact CG-CZ 4.39Å; Q1367-F1377 HydrophobicContact CG-CD2 4.07Å; Q1367-F1377 HydrophobicContact CG-CE2 3.29Å; Q1367-F1377 HydrophobicContact CG-CZ 3.78Å; L1375-F1377 HydrophobicContact CB-CD2 4.31Å; L1375-F1377 HydrophobicContact CB-CE2 3.61Å; L1375-F1377 HydrophobicContact CB-CZ 4.44Å; L1375-F1377 HydrophobicContact CD1-CE2 4.18Å; L1375-F1377 HydrophobicContact CD1-CZ 4.31Å; F1377-M1379 HydrophobicContact CB-SD 4.38Å; F1377-M1379 HydrophobicContact CD1-SD 4.39Å
1378L97.4Very high92.1Very high13 Ų1332.8 Ų32.87%0.06817%0.173CC..EExtended strand (participates in β ladder)trans-87.6110.3163.4174.657.9000108.3L1345 I1346 V1347 C1348 E1401 I1402 Y1405L1345-L1378 HydrophobicContact CD1-CB 4.25Å; I1346-L1378 PolarHBondContact O-N 2.99Å; V1347-L1378 HydrophobicContact CG1-CD2 4.18Å; V1347-L1378 HydrophobicContact CG1-CG 4.42Å; V1347-L1378 HydrophobicContact CG2-CB 4.43Å; V1347-L1378 HydrophobicContact CG2-CD2 4.42Å; C1348-L1378 PolarHBondContact N-O 2.81Å; L1378-E1401 HydrophobicContact CD1-CG 4.18Å; L1378-E1401 HydrophobicContact CD2-CG 4.29Å; L1378-I1402 HydrophobicContact CD2-CB 4.36Å; L1378-I1402 HydrophobicContact CD2-CG1 3.76Å; L1378-Y1405 HydrophobicContact CB-CD1 4.2Å; L1378-Y1405 HydrophobicContact CB-CE1 4.34Å; L1378-Y1405 HydrophobicContact CB-CG 4.43Å; L1378-Y1405 HydrophobicContact CD1-CD2 4.06Å; L1378-Y1405 HydrophobicContact CD1-CG 4.15Å; L1378-Y1405 HydrophobicContact CD2-CG 4.4Å
1379M96.4Very high92.3Very high31 Ų3132.2 Ų32.215%0.15317%0.174CC..EExtended strand (participates in β ladder)trans-91.8105.9170.6-51.9-60.3-60.800107.1C1348 S1356 L1359 R1363 F1377 E1381C1348-M1379 HydrophobicContact CB-CE 3.68Å; C1348-M1379 HydrophobicContact CB-SD 3.7Å; S1356-M1379 WeakPolarHBondContact O-CE 3.3Å; L1359-M1379 HydrophobicContact CB-CE 3.75Å; R1363-M1379 HydrophobicContact CB-SD 4.23Å; F1377-M1379 HydrophobicContact CB-SD 4.38Å; F1377-M1379 HydrophobicContact CD1-SD 4.39Å; M1379-E1381 PolarHBondContact O-N 2.83Å
1380S97.1Very high92.5Very high0 Ų032.4 Ų32.40%018%0.175CC..  trans-64.9129.1-171.2-175.50000111.9C1348 H1350 S1356 L1398 E1401C1348-S1380 WeakPolarHBondContact O-CB 3.3Å; C1348-S1380 PolarHBondContact O-N 2.83Å; H1350-S1380 PolarHBondContact CD2-O 3.37Å; S1356-S1380 WeakPolarHBondContact CB-O 3.19Å; S1380-L1398 WeakPolarHBondContact OG-CD1 3.42Å; S1380-E1401 WeakPolarHBondContact CA-OE2 3.49Å; S1380-E1401 WeakPolarHBondContact CB-OE2 3.18Å; S1380-E1401 PolarHBondContact OG-OE2 3.3Å
1381E96.3Very high92.8Very high94 Ų9432.3 Ų32.344%0.43918%0.175SC..  trans-117.1-22.4179.2-78.3-172.9-174.100112.5S1356 M1379 N1383 Q1384 E1401S1356-E1381 WeakPolarHBondContact OG-CG 3.4Å; S1356-E1381 PolarHBondContact OG-OE1 2.82Å; M1379-E1381 PolarHBondContact O-N 2.83Å; E1381-N1383 PolarHBondContact O-N 3.06Å; E1381-Q1384 VanDerWaalsContact O-CG 3.26Å; E1381-Q1384 WeakPolarHBondContact O-CG 3.47Å; E1381-Q1384 PolarHBondContact O-N 2.96Å; E1381-E1401 PolarHBondContact N-OE1 3.07Å
1382C95.4Very high93.1Very high39 Ų3935 Ų3526%0.26419%0.187SC..THydrogen-bonded Turntrans-55.6-16.8-172.966.40000116.5K1397 L1398 E1401C1382-K1397 HydrophobicContact CB-CB 4.1Å; C1382-L1398 VanDerWaalsContact SG-CA 3.6Å; C1382-E1401 HydrophobicContact CB-CB 4.27Å; C1382-E1401 HydrophobicContact CB-CG 4.46Å; C1382-E1401 WeakPolarHBondContact CB-OE1 3.49Å; C1382-E1401 PolarHBondContact N-OE1 2.91Å; C1382-E1401 VanDerWaalsContact SG-CD 3.58Å; C1382-E1401 PolarHBondContact SG-OE2 2.98Å
1383N94.8Very high93.5Very high0 Ų037.5 Ų37.50%020%0.199CC..THydrogen-bonded Turntrans-114.41.7-179.9-70.8-53.1000114.6E1381 D1385 D1386 T1387 M1394 K1397E1381-N1383 PolarHBondContact O-N 3.06Å; N1383-D1385 PolarHBondContact O-N 2.97Å; N1383-D1386 CarbonylContact O-C 3.58Å; N1383-D1386 VanDerWaalsContact O-C 3.26Å; N1383-D1386 PolarHBondContact O-N 2.82Å; N1383-T1387 WeakPolarHBondContact O-CG2 3.11Å; N1383-M1394 PolarHBondContact ND2-O 3.27Å; N1383-M1394 VanDerWaalsContact OD1-CA 3.27Å; N1383-M1394 WeakPolarHBondContact OD1-CA 3.4Å; N1383-M1394 WeakPolarHBondContact OD1-CB 3.44Å; N1383-M1394 WeakPolarHBondContact OD1-CG 3.23Å; N1383-K1397 WeakPolarHBondContact OD1-CD 3.26Å
1384Q92.8Very high93.9Very high63 Ų6336.4 Ų36.429%0.29419%0.192SC..SBendtrans-68.6-33.6-174.674-164.1-19.500113.5H1350 N1355 E1381H1350-Q1384 PolarHBondContact NE2-N 2.96Å; N1355-Q1384 HydrophobicContact CB-CB 4.41Å; E1381-Q1384 VanDerWaalsContact O-CG 3.26Å; E1381-Q1384 WeakPolarHBondContact O-CG 3.47Å; E1381-Q1384 PolarHBondContact O-N 2.96Å
1385D89.8Confident94.1Very high158 Ų15834.3 Ų34.385%0.84518%0.181SC*.SBendtrans-76.2-24.1179.9-63.9-48.4000113.6N1383N1383-D1385 PolarHBondContact O-N 2.97Å
1386D90.6Very high94.3Very high57 Ų5738.9 Ų38.931%0.30520%0.202SC..  trans-147.4103.8174.1177.326.5000111.6N1383 F1388 G1389N1383-D1386 CarbonylContact O-C 3.58Å; N1383-D1386 VanDerWaalsContact O-C 3.26Å; N1383-D1386 PolarHBondContact O-N 2.82Å; D1386-F1388 WeakPolarHBondContact OD1-CA 3.32Å; D1386-F1388 PolarHBondContact OD1-N 3.48Å; D1386-G1389 PolarHBondContact OD1-N 2.82Å
1387T89.6Confident94.4Very high3 Ų340.5 Ų40.52%0.01821%0.209CC..SBendtrans-100.94.3171.750.30000113L1352 D1353 N1383 M1423 S1480L1352-T1387 VanDerWaalsContact CD1-O 3.24Å; L1352-T1387 WeakPolarHBondContact CD1-O 3.26Å; D1353-T1387 PolarHBondContact N-OG1 2.86Å; N1383-T1387 WeakPolarHBondContact O-CG2 3.11Å; T1387-M1423 HydrophobicContact CG2-CE 4.16Å; T1387-M1423 WeakPolarHBondContact O-CE 3.33Å; T1387-S1480 PolarHBondContact O-OG 3.25Å
1388F90.7Very high94.6Very high27 Ų2740.3 Ų40.312%0.11821%0.208CC..SBendtrans-102.4-19.4-172.7-63.6-75.1000114.1L1352 D1353 D1386 K1476 S1478 E1479 S1480L1352-F1388 HydrophobicContact CD1-CD1 3.85Å; L1352-F1388 HydrophobicContact CD1-CE1 3.71Å; L1352-F1388 HydrophobicContact CD1-CZ 4.26Å; L1352-F1388 HydrophobicContact CG-CE1 4.29Å; D1353-F1388 WeakPolarHBondContact OD1-CZ 3.19Å; D1386-F1388 WeakPolarHBondContact OD1-CA 3.32Å; D1386-F1388 PolarHBondContact OD1-N 3.48Å; F1388-K1476 HydrophobicContact CD1-CB 3.93Å; F1388-K1476 HydrophobicContact CD1-CD 4.27Å; F1388-K1476 HydrophobicContact CD1-CG 4.13Å; F1388-K1476 HydrophobicContact CD2-CD 4.18Å; F1388-K1476 HydrophobicContact CE1-CB 4.19Å; F1388-K1476 HydrophobicContact CE1-CD 3.97Å; F1388-K1476 HydrophobicContact CE1-CG 3.87Å; F1388-K1476 HydrophobicContact CE2-CD 3.92Å; F1388-K1476 HydrophobicContact CG-CB 4.33Å; F1388-K1476 HydrophobicContact CG-CD 4.37Å; F1388-K1476 HydrophobicContact CZ-CD 3.8Å; F1388-K1476 HydrophobicContact CZ-CG 4.2Å; F1388-S1478 CarbonylContact O-C 3.5Å; F1388-S1478 WeakPolarHBondContact O-CA 3.32Å; F1388-S1478 PolarHBondContact O-OG 3.18Å; F1388-S1478 VanDerWaalsContact O-OG 3.09Å; F1388-E1479 PolarHBondContact O-N 2.87Å; F1388-S1480 PolarHBondContact O-N 2.83Å; F1388-S1480 PolarHBondContact O-OG 3.39Å
1389G91.4Very high94.6Very high14 Ų1439.7 Ų39.714%0.14421%0.205CC..SBendtrans-67.3-179.8171.600000114.8D1386 M1394 S1480D1386-G1389 PolarHBondContact OD1-N 2.82Å; G1389-M1394 WeakPolarHBondContact O-CE 3.33Å; G1389-S1480 VanDerWaalsContact O-CB 3.31Å; G1389-S1480 WeakPolarHBondContact O-CB 3.48Å; G1389-S1480 PolarHBondContact O-N 3.46Å
1390G93.4Very high94.6Very high4 Ų440.3 Ų40.34%0.04121%0.209CC..  trans-68.4150.1-176.400000115.7D1392 M1393 M1394 E1479G1390-D1392 VanDerWaalsContact C-N 3.31Å; G1390-D1392 PolarHBondContact O-N 3.42Å; G1390-M1393 PolarHBondContact O-N 3.1Å; G1390-M1394 PolarHBondContact O-N 3.1Å; G1390-M1394 VanDerWaalsContact O-N 3.16Å; G1390-E1479 WeakPolarHBondContact CA-OE1 3.28Å; G1390-E1479 WeakPolarHBondContact CA-OE2 3.46Å; G1390-E1479 PolarHBondContact N-OE2 2.88Å; G1390-E1479 VanDerWaalsContact N-OE2 3.13Å
1391F95.7Very high94.7Very high0 Ų042 Ų420%022%0.217CC..Hα-helixtrans-60.3-35.1179.9-79.6-63.8000114.2M1394 S1395 M1423 I1426 I1427 Q1483 L1484 Y1496F1391-M1394 HydrophobicContact CD1-CE 3.6Å; F1391-M1394 HydrophobicContact CE1-CE 3.82Å; F1391-M1394 HydrophobicContact CG-CE 4.22Å; F1391-M1394 PolarHBondContact O-N 2.87Å; F1391-S1395 VanDerWaalsContact O-CB 3.31Å; F1391-S1395 WeakPolarHBondContact O-CB 3.45Å; F1391-S1395 PolarHBondContact O-N 3.05Å; F1391-S1395 PolarHBondContact O-OG 3.21Å; F1391-M1423 HydrophobicContact CE1-CG 3.57Å; F1391-M1423 HydrophobicContact CE1-SD 4.15Å; F1391-M1423 HydrophobicContact CZ-CG 3.73Å; F1391-M1423 HydrophobicContact CZ-SD 4.19Å; F1391-I1426 HydrophobicContact CD1-CB 4.19Å; F1391-I1426 HydrophobicContact CD1-CG2 3.79Å; F1391-I1426 HydrophobicContact CD2-CG2 4.14Å; F1391-I1426 HydrophobicContact CE1-CB 3.66Å; F1391-I1426 HydrophobicContact CE1-CG2 3.6Å; F1391-I1426 HydrophobicContact CE2-CG2 3.97Å; F1391-I1426 HydrophobicContact CG-CG2 4.08Å; F1391-I1426 HydrophobicContact CZ-CB 3.95Å; F1391-I1426 HydrophobicContact CZ-CG2 3.7Å; F1391-I1427 HydrophobicContact CD1-CG1 4.06Å; F1391-I1427 HydrophobicContact CE1-CG1 4.14Å; F1391-Q1483 HydrophobicContact CD2-CB 3.75Å; F1391-Q1483 HydrophobicContact CD2-CG 4.42Å; F1391-Q1483 HydrophobicContact CE2-CB 3.8Å; F1391-Q1483 VanDerWaalsContact N-OE1 3.11Å; F1391-L1484 HydrophobicContact CE2-CD2 4.23Å; F1391-L1484 HydrophobicContact CE2-CG 3.94Å; F1391-L1484 HydrophobicContact CZ-CD1 4.2Å; F1391-L1484 HydrophobicContact CZ-CD2 3.93Å; F1391-L1484 HydrophobicContact CZ-CG 3.77Å; F1391-Y1496 HydrophobicContact CB-CD1 4.03Å; F1391-Y1496 HydrophobicContact CB-CE1 3.31Å; F1391-Y1496 HydrophobicContact CB-CE2 4.33Å; F1391-Y1496 VanDerWaalsContact CB-CZ 3.5Å; F1391-Y1496 AromaticContact CD2-CD1 3.79Å; F1391-Y1496 HydrophobicContact CD2-CD1 3.79Å; F1391-Y1496 AromaticContact CD2-CE1 3.88Å; F1391-Y1496 HydrophobicContact CD2-CE1 3.88Å; F1391-Y1496 HydrophobicContact CG-CD1 4.24Å; F1391-Y1496 AromaticContact CG-CE1 3.84Å; F1391-Y1496 HydrophobicContact CG-CE1 3.84Å
1392D94.2Very high94.7Very high88 Ų8837.6 Ų37.647%0.47120%0.196SC..Hα-helixtrans-61.6-51.3179.7-68.1-34.9000111G1390 M1394 S1395 E1396 Y1496G1390-D1392 VanDerWaalsContact C-N 3.31Å; G1390-D1392 PolarHBondContact O-N 3.42Å; D1392-M1394 PolarHBondContact O-N 3.09Å; D1392-S1395 PolarHBondContact O-N 3.28Å; D1392-S1395 VanDerWaalsContact O-N 3.15Å; D1392-S1395 PolarHBondContact O-OG 2.91Å; D1392-E1396 PolarHBondContact O-N 3.45Å; D1392-Y1496 WeakPolarHBondContact OD1-CE2 3.33Å; D1392-Y1496 VanDerWaalsContact OD1-CZ 3.31Å; D1392-Y1496 PolarHBondContact OD1-OH 3.24Å; D1392-Y1496 WeakPolarHBondContact OD2-CE2 3.36Å
1393M94.9Very high94.8Very high78 Ų7836 Ų3638%0.38419%0.186SC..Hα-helixtrans-57.8-45.9174.8-179.9-168.663.400112G1390 S1395 E1396 K1397G1390-M1393 PolarHBondContact O-N 3.1Å; M1393-S1395 VanDerWaalsContact C-N 3.26Å; M1393-S1395 PolarHBondContact O-N 2.89Å; M1393-E1396 PolarHBondContact O-N 2.94Å; M1393-K1397 HydrophobicContact CG-CD 4.36Å; M1393-K1397 WeakPolarHBondContact O-CG 3.48Å; M1393-K1397 PolarHBondContact O-N 3.43Å
1394M96.4Very high94.8Very high0 Ų040 Ų400%021%0.207CC..Hα-helixtrans-64.2-33.4179.3-69.4-169.2-67.500112.3N1383 G1389 G1390 F1391 D1392 L1398 M1423 I1427N1383-M1394 PolarHBondContact ND2-O 3.27Å; N1383-M1394 VanDerWaalsContact OD1-CA 3.27Å; N1383-M1394 WeakPolarHBondContact OD1-CA 3.4Å; N1383-M1394 WeakPolarHBondContact OD1-CB 3.44Å; N1383-M1394 WeakPolarHBondContact OD1-CG 3.23Å; G1389-M1394 WeakPolarHBondContact O-CE 3.33Å; G1390-M1394 PolarHBondContact O-N 3.1Å; G1390-M1394 VanDerWaalsContact O-N 3.16Å; F1391-M1394 HydrophobicContact CD1-CE 3.6Å; F1391-M1394 HydrophobicContact CE1-CE 3.82Å; F1391-M1394 HydrophobicContact CG-CE 4.22Å; F1391-M1394 PolarHBondContact O-N 2.87Å; D1392-M1394 PolarHBondContact O-N 3.09Å; M1394-L1398 WeakPolarHBondContact O-CB 3.44Å; M1394-L1398 PolarHBondContact O-N 3.39Å; M1394-M1423 HydrophobicContact CE-CE 3.89Å; M1394-M1423 HydrophobicContact CE-SD 4.25Å; M1394-M1423 HydrophobicContact SD-CE 3.82Å; M1394-I1427 HydrophobicContact CB-CD1 4.13Å; M1394-I1427 HydrophobicContact CB-CG1 4.23Å; M1394-I1427 HydrophobicContact CB-CG2 4.15Å; M1394-I1427 HydrophobicContact CE-CD1 4.36Å; M1394-I1427 HydrophobicContact CE-CG1 4.31Å; M1394-I1427 WeakPolarHBondContact O-CG2 3.41Å; M1394-I1427 HydrophobicContact SD-CD1 4.02Å
1395S96.7Very high95Very high8 Ų838.3 Ų38.36%0.05620%0.198CC..Hα-helixtrans-75.8-38.1177.3770000112.7F1391 D1392 M1393 L1398 V1399F1391-S1395 VanDerWaalsContact O-CB 3.31Å; F1391-S1395 WeakPolarHBondContact O-CB 3.45Å; F1391-S1395 PolarHBondContact O-N 3.05Å; F1391-S1395 PolarHBondContact O-OG 3.21Å; D1392-S1395 PolarHBondContact O-N 3.28Å; D1392-S1395 VanDerWaalsContact O-N 3.15Å; D1392-S1395 PolarHBondContact O-OG 2.91Å; M1393-S1395 VanDerWaalsContact C-N 3.26Å; M1393-S1395 PolarHBondContact O-N 2.89Å; S1395-L1398 PolarHBondContact O-N 2.87Å; S1395-V1399 WeakPolarHBondContact O-CB 3.35Å; S1395-V1399 VanDerWaalsContact O-CG2 3.26Å; S1395-V1399 WeakPolarHBondContact O-CG2 3.38Å; S1395-V1399 PolarHBondContact O-N 2.7Å
1396E97Very high95.3Very high105 Ų10530.9 Ų30.949%0.49116%0.159SC..Hα-helixtrans-62.5-45.1174.5-169.5-169.7169.400111D1392 M1393 L1398 V1399 N1400D1392-E1396 PolarHBondContact O-N 3.45Å; M1393-E1396 PolarHBondContact O-N 2.94Å; E1396-L1398 PolarHBondContact O-N 3.42Å; E1396-V1399 PolarHBondContact O-N 3.19Å; E1396-N1400 WeakPolarHBondContact O-CB 3.34Å; E1396-N1400 VanDerWaalsContact O-CG 3.25Å; E1396-N1400 PolarHBondContact O-N 3.44Å; E1396-N1400 PolarHBondContact O-ND2 3.18Å
1397K97.2Very high95.5Very high64 Ų6433 Ų3328%0.27817%0.17SC..Hα-helixtrans-53.4-50.3172.1-74.9170.2170.2-169.80111.8C1382 N1383 M1393 N1400 E1401C1382-K1397 HydrophobicContact CB-CB 4.1Å; N1383-K1397 WeakPolarHBondContact OD1-CD 3.26Å; M1393-K1397 HydrophobicContact CG-CD 4.36Å; M1393-K1397 WeakPolarHBondContact O-CG 3.48Å; M1393-K1397 PolarHBondContact O-N 3.43Å; K1397-N1400 PolarHBondContact O-N 2.86Å; K1397-E1401 WeakPolarHBondContact O-CB 3.38Å; K1397-E1401 PolarHBondContact O-N 3.04Å
1398L98Very high95.7Very high0 Ų039.8 Ų39.80%020%0.201CC..Hα-helixtrans-63.2-41.5179.2175.663.6000112.1V1347 V1349 S1380 C1382 M1394 S1395 E1396 E1401 I1402 I1427 I1428 A1431V1347-L1398 HydrophobicContact CG1-CD1 4.28Å; V1349-L1398 HydrophobicContact CG1-CD2 4.37Å; V1349-L1398 HydrophobicContact CG2-CD1 3.86Å; V1349-L1398 HydrophobicContact CG2-CD2 3.82Å; S1380-L1398 WeakPolarHBondContact OG-CD1 3.42Å; C1382-L1398 VanDerWaalsContact SG-CA 3.6Å; M1394-L1398 WeakPolarHBondContact O-CB 3.44Å; M1394-L1398 PolarHBondContact O-N 3.39Å; S1395-L1398 PolarHBondContact O-N 2.87Å; E1396-L1398 PolarHBondContact O-N 3.42Å; L1398-E1401 PolarHBondContact O-N 3.41Å; L1398-I1402 HydrophobicContact CD1-CD1 3.84Å; L1398-I1402 HydrophobicContact CD1-CG1 4.15Å; L1398-I1402 HydrophobicContact CD2-CD1 4.44Å; L1398-I1402 HydrophobicContact CG-CD1 3.72Å; L1398-I1402 HydrophobicContact CG-CG1 4.46Å; L1398-I1402 WeakPolarHBondContact O-CB 3.43Å; L1398-I1402 WeakPolarHBondContact O-CD1 3.49Å; L1398-I1402 WeakPolarHBondContact O-CG1 3.21Å; L1398-I1402 PolarHBondContact O-N 2.87Å; L1398-I1427 HydrophobicContact CB-CG2 4.18Å; L1398-I1427 HydrophobicContact CD2-CG2 3.72Å; L1398-I1428 HydrophobicContact CD2-CG1 4.35Å; L1398-A1431 HydrophobicContact CD2-CB 4.02Å
1399V98Very high95.9Very high0 Ų039.2 Ų39.20%020%0.199CC..Hα-helixtrans-68-37.8179.1171.30000111.6S1395 E1396 I1402 A1403 A1431 N1434 R1436 M1437S1395-V1399 WeakPolarHBondContact O-CB 3.35Å; S1395-V1399 VanDerWaalsContact O-CG2 3.26Å; S1395-V1399 WeakPolarHBondContact O-CG2 3.38Å; S1395-V1399 PolarHBondContact O-N 2.7Å; E1396-V1399 PolarHBondContact O-N 3.19Å; V1399-I1402 PolarHBondContact O-N 3.43Å; V1399-A1403 VanDerWaalsContact O-CB 3.27Å; V1399-A1403 WeakPolarHBondContact O-CB 3.48Å; V1399-A1403 PolarHBondContact O-N 3.22Å; V1399-A1431 HydrophobicContact CG2-CB 3.54Å; V1399-A1431 WeakPolarHBondContact CG2-O 3.25Å; V1399-N1434 HydrophobicContact CB-CB 4.39Å; V1399-N1434 HydrophobicContact CG1-CB 4.13Å; V1399-N1434 HydrophobicContact CG2-CB 3.85Å; V1399-R1436 HydrophobicContact CG1-CB 3.73Å; V1399-M1437 HydrophobicContact CB-CG 4.42Å; V1399-M1437 HydrophobicContact CG1-CG 3.87Å; V1399-M1437 HydrophobicContact CG1-SD 4.21Å; V1399-M1437 HydrophobicContact CG2-CG 3.7Å; V1399-M1437 HydrophobicContact CG2-SD 4.28Å
1400N97.2Very high95.8Very high45 Ų4546.8 Ų46.824%0.24124%0.237CC..Hα-helixtrans-66.4-40.8174.2-69.3-28.7000111.5E1396 K1397 A1403 N1404 R1436E1396-N1400 WeakPolarHBondContact O-CB 3.34Å; E1396-N1400 VanDerWaalsContact O-CG 3.25Å; E1396-N1400 PolarHBondContact O-N 3.44Å; E1396-N1400 PolarHBondContact O-ND2 3.18Å; K1397-N1400 PolarHBondContact O-N 2.86Å; N1400-A1403 PolarHBondContact O-N 3.39Å; N1400-N1404 WeakPolarHBondContact O-CB 3.24Å; N1400-N1404 PolarHBondContact O-N 3.06Å; N1400-N1404 PolarHBondContact O-ND2 3.44Å; N1400-N1404 PolarHBondContact O-OD1 3.41Å; N1400-R1436 PolarHBondContact OD1-NH1 2.8Å
1401E97.8Very high95.6Very high36 Ų3650.9 Ų50.917%0.16826%0.255CS..Hα-helixtrans-61.1-47.1173.6-174.5-176.6-118.500112L1378 S1380 E1381 C1382 K1397 L1398 Y1405L1378-E1401 HydrophobicContact CD1-CG 4.18Å; L1378-E1401 HydrophobicContact CD2-CG 4.29Å; S1380-E1401 WeakPolarHBondContact CA-OE2 3.49Å; S1380-E1401 WeakPolarHBondContact CB-OE2 3.18Å; S1380-E1401 PolarHBondContact OG-OE2 3.3Å; E1381-E1401 PolarHBondContact N-OE1 3.07Å; C1382-E1401 HydrophobicContact CB-CB 4.27Å; C1382-E1401 HydrophobicContact CB-CG 4.46Å; C1382-E1401 WeakPolarHBondContact CB-OE1 3.49Å; C1382-E1401 PolarHBondContact N-OE1 2.91Å; C1382-E1401 VanDerWaalsContact SG-CD 3.58Å; C1382-E1401 PolarHBondContact SG-OE2 2.98Å; K1397-E1401 WeakPolarHBondContact O-CB 3.38Å; K1397-E1401 PolarHBondContact O-N 3.04Å; L1398-E1401 PolarHBondContact O-N 3.41Å; E1401-Y1405 WeakPolarHBondContact O-CB 3.45Å; E1401-Y1405 PolarHBondContact O-N 3.15Å
1402I97.9Very high95.5Very high0 Ų055.1 Ų55.10%027%0.273CS..Hα-helixtrans-62.8-45.4176.4-68.2160.7000111.6V1347 L1378 L1398 V1399 Y1405 I1406 F1418 M1437V1347-I1402 HydrophobicContact CG1-CD1 4.09Å; V1347-I1402 HydrophobicContact CG1-CG1 4.04Å; V1347-I1402 HydrophobicContact CG2-CG1 4.29Å; L1378-I1402 HydrophobicContact CD2-CB 4.36Å; L1378-I1402 HydrophobicContact CD2-CG1 3.76Å; L1398-I1402 HydrophobicContact CD1-CD1 3.84Å; L1398-I1402 HydrophobicContact CD1-CG1 4.15Å; L1398-I1402 HydrophobicContact CD2-CD1 4.44Å; L1398-I1402 HydrophobicContact CG-CD1 3.72Å; L1398-I1402 HydrophobicContact CG-CG1 4.46Å; L1398-I1402 WeakPolarHBondContact O-CB 3.43Å; L1398-I1402 WeakPolarHBondContact O-CD1 3.49Å; L1398-I1402 WeakPolarHBondContact O-CG1 3.21Å; L1398-I1402 PolarHBondContact O-N 2.87Å; V1399-I1402 PolarHBondContact O-N 3.43Å; I1402-Y1405 PolarHBondContact O-N 3.48Å; I1402-I1406 HydrophobicContact CG2-CD1 3.69Å; I1402-I1406 HydrophobicContact CG2-CG1 4.4Å; I1402-I1406 WeakPolarHBondContact O-CB 3.49Å; I1402-I1406 VanDerWaalsContact O-CG1 3.29Å; I1402-I1406 WeakPolarHBondContact O-CG1 3.22Å; I1402-I1406 PolarHBondContact O-N 3.26Å; I1402-F1418 HydrophobicContact CD1-CE1 3.67Å; I1402-F1418 HydrophobicContact CD1-CZ 3.89Å; I1402-M1437 HydrophobicContact CD1-SD 4.49Å; I1402-M1437 HydrophobicContact CG2-CE 4.47Å; I1402-M1437 HydrophobicContact CG2-SD 4.1Å
1403A96.2Very high95.6Very high5 Ų551 Ų514%0.04125%0.251CS..Hα-helixtrans-62.7-48.7-179.100000111.1V1399 N1400 Y1405 I1406 D1407V1399-A1403 VanDerWaalsContact O-CB 3.27Å; V1399-A1403 WeakPolarHBondContact O-CB 3.48Å; V1399-A1403 PolarHBondContact O-N 3.22Å; N1400-A1403 PolarHBondContact O-N 3.39Å; A1403-Y1405 PolarHBondContact O-N 2.99Å; A1403-I1406 PolarHBondContact O-N 2.67Å; A1403-D1407 WeakPolarHBondContact O-CB 3.5Å; A1403-D1407 PolarHBondContact O-N 3.07Å
1404N96Very high95.6Very high86 Ų8652 Ų5246%0.4625%0.253SS..Hα-helixtrans-59.9-47.6177.8-65.7-4.7000111.4N1400 I1406 D1407 E1408N1400-N1404 WeakPolarHBondContact O-CB 3.24Å; N1400-N1404 PolarHBondContact O-N 3.06Å; N1400-N1404 PolarHBondContact O-ND2 3.44Å; N1400-N1404 PolarHBondContact O-OD1 3.41Å; N1404-I1406 PolarHBondContact O-N 3.44Å; N1404-D1407 PolarHBondContact O-N 3.36Å; N1404-D1407 VanDerWaalsContact O-N 3.12Å; N1404-E1408 WeakPolarHBondContact O-CG 3.39Å; N1404-E1408 PolarHBondContact O-N 2.86Å
1405Y96.6Very high95.6Very high26 Ų2654.4 Ų54.410%0.10226%0.262CS..Hα-helixtrans-61.1-42.7178.2-170.1-94.4000111.7S857 L1345 L1378 E1401 I1402 A1403 D1407 E1408 M1409S857-Y1405 PolarHBondContact O-OH 2.94Å; S857-Y1405 VanDerWaalsContact O-OH 3.08Å; L1345-Y1405 HydrophobicContact CD1-CD1 4Å; L1345-Y1405 HydrophobicContact CD1-CE1 3.66Å; L1345-Y1405 HydrophobicContact CD2-CD1 4.44Å; L1378-Y1405 HydrophobicContact CB-CD1 4.2Å; L1378-Y1405 HydrophobicContact CB-CE1 4.34Å; L1378-Y1405 HydrophobicContact CB-CG 4.43Å; L1378-Y1405 HydrophobicContact CD1-CD2 4.06Å; L1378-Y1405 HydrophobicContact CD1-CG 4.15Å; L1378-Y1405 HydrophobicContact CD2-CG 4.4Å; E1401-Y1405 WeakPolarHBondContact O-CB 3.45Å; E1401-Y1405 PolarHBondContact O-N 3.15Å; I1402-Y1405 PolarHBondContact O-N 3.48Å; A1403-Y1405 PolarHBondContact O-N 2.99Å; Y1405-D1407 VanDerWaalsContact C-N 3.33Å; Y1405-D1407 PolarHBondContact O-N 2.95Å; Y1405-E1408 PolarHBondContact O-N 2.8Å; Y1405-M1409 HydrophobicContact CD1-CG 4.16Å; Y1405-M1409 HydrophobicContact CD1-SD 3.77Å; Y1405-M1409 HydrophobicContact CE1-CG 3.99Å; Y1405-M1409 HydrophobicContact CE1-SD 3.65Å; Y1405-M1409 VanDerWaalsContact O-CG 3.27Å; Y1405-M1409 WeakPolarHBondContact O-CG 3.04Å; Y1405-M1409 PolarHBondContact O-N 3.07Å; Y1405-M1409 VanDerWaalsContact O-N 3.09Å
1406I96.7Very high95.6Very high2 Ų254 Ų541%0.0126%0.259CS..Hα-helixtrans-64.2-37.8175.3-70.9172.9000111.4L1345 I1402 A1403 N1404 M1409 K1412 P1413 I1416 Y1440L1345-I1406 HydrophobicContact CD2-CD1 3.95Å; L1345-I1406 HydrophobicContact CD2-CG1 3.68Å; I1402-I1406 HydrophobicContact CG2-CD1 3.69Å; I1402-I1406 HydrophobicContact CG2-CG1 4.4Å; I1402-I1406 WeakPolarHBondContact O-CB 3.49Å; I1402-I1406 VanDerWaalsContact O-CG1 3.29Å; I1402-I1406 WeakPolarHBondContact O-CG1 3.22Å; I1402-I1406 PolarHBondContact O-N 3.26Å; A1403-I1406 PolarHBondContact O-N 2.67Å; N1404-I1406 PolarHBondContact O-N 3.44Å; I1406-M1409 PolarHBondContact O-N 3.43Å; I1406-K1412 HydrophobicContact CG2-CD 4.35Å; I1406-K1412 WeakPolarHBondContact O-CD 3.49Å; I1406-K1412 WeakPolarHBondContact O-CE 3.31Å; I1406-K1412 PolarHBondContact O-NZ 3.36Å; I1406-P1413 HydrophobicContact CD1-CG 4.33Å; I1406-P1413 HydrophobicContact CG1-CG 4.16Å; I1406-I1416 HydrophobicContact CD1-CD1 4Å; I1406-Y1440 HydrophobicContact CD1-CD1 4.2Å; I1406-Y1440 HydrophobicContact CD1-CD2 4.21Å; I1406-Y1440 HydrophobicContact CD1-CE1 4.04Å; I1406-Y1440 HydrophobicContact CD1-CE2 4.05Å; I1406-Y1440 HydrophobicContact CD1-CG 4.29Å; I1406-Y1440 HydrophobicContact CG2-CE1 3.83Å; I1406-Y1440 WeakPolarHBondContact CG2-OH 3.44Å
1407D94.5Very high95.7Very high102 Ų10249 Ų4955%0.54524%0.236SC..Hα-helixtrans-69.8-31.1177.4-76.8-24.6000112.6A1403 N1404 Y1405 K1412A1403-D1407 WeakPolarHBondContact O-CB 3.5Å; A1403-D1407 PolarHBondContact O-N 3.07Å; N1404-D1407 PolarHBondContact O-N 3.36Å; N1404-D1407 VanDerWaalsContact O-N 3.12Å; Y1405-D1407 VanDerWaalsContact C-N 3.33Å; Y1405-D1407 PolarHBondContact O-N 2.95Å; D1407-K1412 PolarHBondContact O-NZ 2.91Å
1408E94.3Very high95.8Very high145 Ų14546 Ų4668%0.67822%0.223SC*.Hα-helixtrans-76.9-25.9174.9-71.5169.8169.400113.9N1404 Y1405N1404-E1408 WeakPolarHBondContact O-CG 3.39Å; N1404-E1408 PolarHBondContact O-N 2.86Å; Y1405-E1408 PolarHBondContact O-N 2.8Å
1409M93.1Very high95.8Very high16 Ų1646 Ų468%0.07922%0.223CC..  trans-64.8130.2179.5-75170.976.600114.2V1343 L1345 H1376 Y1405 I1406 E1411 K1412V1343-M1409 HydrophobicContact CG1-CE 3.47Å; V1343-M1409 VanDerWaalsContact CG1-CE 3.47Å; L1345-M1409 HydrophobicContact CD1-SD 4.44Å; L1345-M1409 HydrophobicContact CD2-SD 4.42Å; H1376-M1409 HydrophobicContact CB-CE 4.02Å; Y1405-M1409 HydrophobicContact CD1-CG 4.16Å; Y1405-M1409 HydrophobicContact CD1-SD 3.77Å; Y1405-M1409 HydrophobicContact CE1-CG 3.99Å; Y1405-M1409 HydrophobicContact CE1-SD 3.65Å; Y1405-M1409 VanDerWaalsContact O-CG 3.27Å; Y1405-M1409 WeakPolarHBondContact O-CG 3.04Å; Y1405-M1409 PolarHBondContact O-N 3.07Å; Y1405-M1409 VanDerWaalsContact O-N 3.09Å; I1406-M1409 PolarHBondContact O-N 3.43Å; M1409-E1411 PolarHBondContact O-N 3.25Å; M1409-K1412 PolarHBondContact O-NZ 2.95Å
1410D89.9Confident95.8Very high173 Ų17346 Ų4693%0.92522%0.223SC*.SBendtrans-52.9-51.8175.1-77.9-42.7000113.5
1411E90.3Very high95.8Very high89 Ų8944.5 Ų44.542%0.41622%0.215SC..SBendtrans-110.3121.6173.7178174.9172.600109.5V1343 M1409V1343-E1411 HydrophobicContact CG2-CB 3.94Å; V1343-E1411 HydrophobicContact CG2-CG 3.83Å; M1409-E1411 PolarHBondContact O-N 3.25Å
1412K93.7Very high95.7Very high90 Ų9043.5 Ų43.539%0.39121%0.211SC..  trans-69.1134.1-178-54.1-50.2-176.9-161.70110.3I1406 D1407 M1409 K1414I1406-K1412 HydrophobicContact CG2-CD 4.35Å; I1406-K1412 WeakPolarHBondContact O-CD 3.49Å; I1406-K1412 WeakPolarHBondContact O-CE 3.31Å; I1406-K1412 PolarHBondContact O-NZ 3.36Å; D1407-K1412 PolarHBondContact O-NZ 2.91Å; M1409-K1412 PolarHBondContact O-NZ 2.95Å; K1412-K1414 PolarHBondContact O-N 3.38Å
1413P95.4Very high95.6Very high0 Ų043.5 Ų43.50%021%0.212CC..  trans-59.8139.2-173.822.9-33.3000111.9V1343 L1345 I1406 I1416 K1443V1343-P1413 HydrophobicContact CG1-CB 4.11Å; L1345-P1413 HydrophobicContact CB-CB 3.78Å; L1345-P1413 HydrophobicContact CB-CG 4.07Å; L1345-P1413 HydrophobicContact CD2-CG 4.24Å; I1406-P1413 HydrophobicContact CD1-CG 4.33Å; I1406-P1413 HydrophobicContact CG1-CG 4.16Å; P1413-I1416 HydrophobicContact CB-CG1 4.18Å; P1413-I1416 HydrophobicContact CG-CD1 4.27Å; P1413-I1416 HydrophobicContact CG-CG1 4.12Å; P1413-K1443 WeakPolarHBondContact O-CD 3.46Å; P1413-K1443 WeakPolarHBondContact O-CE 3.26Å; P1413-K1443 PolarHBondContact O-NZ 2.57Å
1414K94.8Very high95.7Very high100 Ų10043.3 Ų43.344%0.43521%0.21SC..SBendtrans-87.8-28172.4-68.9175.3177.5-1790111.9D1342 V1343 K1412D1342-K1414 HydrophobicContact CB-CD 3.77Å; D1342-K1414 VanDerWaalsContact CG-CD 3.42Å; D1342-K1414 IonicContact OD1-NZ 2.7Å; D1342-K1414 PolarHBondContact OD1-NZ 3.33Å; D1342-K1414 WeakPolarHBondContact OD2-CD 3.31Å; D1342-K1414 IonicContact OD2-NZ 2.82Å; D1342-K1414 PolarHBondContact OD2-NZ 2.8Å; V1343-K1414 PolarHBondContact O-N 2.85Å; K1412-K1414 PolarHBondContact O-N 3.38Å
1415R95.9Very high95.8Very high50 Ų5039.2 Ų39.219%0.18919%0.188CC..EExtended strand (participates in β ladder)trans-130.2140.8177.4-56.3-167.5-60.6164.90.4109.5V1343 H1344 L1345 K1443 H1445 F1610 R1611V1343-R1415 PolarHBondContact O-N 2.92Å; H1344-R1415 WeakPolarHBondContact CA-O 3.36Å; H1344-R1415 HydrophobicContact CB-CB 4.33Å; H1344-R1415 PolarHBondContact CD2-O 2.92Å; H1344-R1415 VanDerWaalsContact ND1-CZ 3.27Å; H1344-R1415 PolarHBondContact ND1-NE 2.71Å; H1344-R1415 PolarHBondContact ND1-NH2 2.98Å; L1345-R1415 PolarHBondContact N-O 2.89Å; R1415-K1443 WeakPolarHBondContact CA-O 3.32Å; R1415-H1445 HydrophobicContact CB-CB 4.26Å; R1415-H1445 PolarHBondContact NH1-CE1 3.37Å; R1415-H1445 PolarHBondContact NH1-NE2 2.94Å; R1415-F1610 PolarHBondContact NH2-O 3.38Å; R1415-R1611 VanDerWaalsContact NH1-C 3.33Å; R1415-R1611 PolarHBondContact NH1-O 2.97Å
1416I97.9Very high95.8Very high0 Ų038 Ų380%018%0.183CC..EExtended strand (participates in β ladder)trans-127.4127.5175.7-56.8171.5000108.2L1345 V1347 I1406 P1413 F1418 Y1440 K1443 L1444 H1445L1345-I1416 HydrophobicContact CB-CG1 4.39Å; L1345-I1416 CarbonylContact O-C 3.26Å; L1345-I1416 WeakPolarHBondContact O-CA 3.46Å; V1347-I1416 HydrophobicContact CG2-CG2 4.4Å; I1406-I1416 HydrophobicContact CD1-CD1 4Å; P1413-I1416 HydrophobicContact CB-CG1 4.18Å; P1413-I1416 HydrophobicContact CG-CD1 4.27Å; P1413-I1416 HydrophobicContact CG-CG1 4.12Å; I1416-F1418 HydrophobicContact CG2-CD2 4.2Å; I1416-F1418 HydrophobicContact CG2-CE2 3.69Å; I1416-F1418 HydrophobicContact CG2-CZ 4.34Å; I1416-Y1440 HydrophobicContact CD1-CD1 4.25Å; I1416-Y1440 HydrophobicContact CD1-CG 4.2Å; I1416-K1443 HydrophobicContact CD1-CB 4.34Å; I1416-K1443 HydrophobicContact CD1-CD 4.29Å; I1416-K1443 HydrophobicContact CG1-CB 4.32Å; I1416-K1443 PolarHBondContact N-O 3.11Å; I1416-L1444 WeakPolarHBondContact O-CA 3.44Å; I1416-H1445 PolarHBondContact O-N 2.86Å
1417S98.5Very high95.9Very high0 Ų037.9 Ų37.90%018%0.183CC..EExtended strand (participates in β ladder)trans-120.7152.3172.3-68.70000110.5H1344 L1345 I1346 V1347 T1446H1344-S1417 PolarHBondContact CE1-OG 3.01Å; H1344-S1417 PolarHBondContact NE2-OG 3.19Å; L1345-S1417 PolarHBondContact O-N 3.15Å; I1346-S1417 CarbonylContact C-O 3.51Å; I1346-S1417 WeakPolarHBondContact CA-O 3.43Å; V1347-S1417 PolarHBondContact N-O 3.39Å; S1417-T1446 CarbonylContact C-O 3.49Å; S1417-T1446 WeakPolarHBondContact CA-O 3.41Å; S1417-T1446 WeakPolarHBondContact CB-O 3.3Å; S1417-T1446 WeakPolarHBondContact OG-CB 3.42Å; S1417-T1446 PolarHBondContact OG-N 3.33Å; S1417-T1446 PolarHBondContact OG-O 2.61Å; S1417-T1446 PolarHBondContact OG-OG1 2.94Å; S1417-T1446 VanDerWaalsContact OG-OG1 3.08Å
1418F98.6Very high96Very high0 Ų033 Ų330%016%0.157CC..EExtended strand (participates in β ladder)trans-121.3136.2-179.5-78.1-93.6000110.3V1347 I1402 I1416 I1428 M1437 L1444 T1446 F1447 L1448 F1509V1347-F1418 HydrophobicContact CB-CD1 3.7Å; V1347-F1418 HydrophobicContact CB-CE1 3.76Å; V1347-F1418 HydrophobicContact CB-CG 4.36Å; V1347-F1418 HydrophobicContact CB-CZ 4.44Å; V1347-F1418 HydrophobicContact CG1-CD1 3.97Å; V1347-F1418 HydrophobicContact CG1-CE1 3.82Å; V1347-F1418 HydrophobicContact CG2-CD1 4.41Å; V1347-F1418 HydrophobicContact CG2-CE1 4.08Å; V1347-F1418 HydrophobicContact CG2-CZ 4.31Å; V1347-F1418 CarbonylContact O-C 3.59Å; V1347-F1418 WeakPolarHBondContact O-CA 3.34Å; I1402-F1418 HydrophobicContact CD1-CE1 3.67Å; I1402-F1418 HydrophobicContact CD1-CZ 3.89Å; I1416-F1418 HydrophobicContact CG2-CD2 4.2Å; I1416-F1418 HydrophobicContact CG2-CE2 3.69Å; I1416-F1418 HydrophobicContact CG2-CZ 4.34Å; F1418-I1428 HydrophobicContact CB-CD1 4.19Å; F1418-I1428 HydrophobicContact CB-CG2 3.89Å; F1418-I1428 HydrophobicContact CD1-CB 4.44Å; F1418-I1428 HydrophobicContact CD1-CD1 4.25Å; F1418-I1428 HydrophobicContact CD1-CG1 3.9Å; F1418-I1428 HydrophobicContact CD1-CG2 3.77Å; F1418-I1428 HydrophobicContact CE1-CG2 4.44Å; F1418-I1428 HydrophobicContact CG-CG2 3.88Å; F1418-M1437 HydrophobicContact CE2-CE 4.41Å; F1418-M1437 HydrophobicContact CZ-CE 3.94Å; F1418-L1444 HydrophobicContact CD2-CD2 4.08Å; F1418-L1444 HydrophobicContact CE2-CD2 3.7Å; F1418-T1446 PolarHBondContact N-O 3.42Å; F1418-F1447 HydrophobicContact CB-CD2 3.99Å; F1418-F1447 CarbonylContact O-C 3.57Å; F1418-F1447 WeakPolarHBondContact O-CA 3.38Å; F1418-L1448 PolarHBondContact O-N 3.31Å; F1418-F1509 HydrophobicContact CB-CZ 4.45Å; F1418-F1509 AromaticContact CD2-CE1 3.93Å; F1418-F1509 HydrophobicContact CD2-CE1 3.93Å; F1418-F1509 AromaticContact CD2-CZ 3.84Å; F1418-F1509 HydrophobicContact CD2-CZ 3.84Å; F1418-F1509 HydrophobicContact CG-CZ 4.47Å
1419I98.5Very high96.2Very high0 Ų026.7 Ų26.70%013%0.126CC..EExtended strand (participates in β ladder)trans-122.4114.2174.4-54.3-175.7000107.5I1346 V1347 C1348 V1349 L1359 V1362 L1366 L1448 F1610I1346-I1419 HydrophobicContact CG2-CD1 3.56Å; I1346-I1419 HydrophobicContact CG2-CG1 3.85Å; V1347-I1419 PolarHBondContact O-N 3.31Å; C1348-I1419 CarbonylContact C-O 3.58Å; C1348-I1419 WeakPolarHBondContact CA-O 3.38Å; V1349-I1419 PolarHBondContact N-O 2.85Å; L1359-I1419 HydrophobicContact CD1-CG2 4.44Å; L1359-I1419 HydrophobicContact CD2-CG2 3.95Å; V1362-I1419 HydrophobicContact CG1-CD1 4Å; V1362-I1419 HydrophobicContact CG1-CG2 4.25Å; L1366-I1419 HydrophobicContact CD2-CD1 4.25Å; I1419-L1448 WeakPolarHBondContact CA-O 3.42Å; I1419-L1448 HydrophobicContact CD1-CD2 4.35Å; I1419-L1448 HydrophobicContact CG1-CB 4.24Å; I1419-L1448 HydrophobicContact CG1-CD2 4.35Å; I1419-L1448 HydrophobicContact CG2-CB 4.44Å; I1419-L1448 HydrophobicContact CG2-CD2 4.08Å; I1419-L1448 HydrophobicContact CG2-CG 4.29Å; I1419-F1610 HydrophobicContact CD1-CE1 4.38Å; I1419-F1610 HydrophobicContact CD1-CZ 4.19Å; I1419-F1610 HydrophobicContact CG1-CE1 4.47Å; I1419-F1610 HydrophobicContact CG1-CZ 4.33Å
1420G98.1Very high96.4Very high0 Ų026.1 Ų26.10%012%0.124CC..EExtended strand (participates in β ladder)trans-112.6139.8176.900000111.8V1349 C1425 L1448 L1450V1349-G1420 WeakPolarHBondContact O-CA 3.34Å; G1420-C1425 PolarHBondContact O-SG 3.09Å; G1420-L1448 PolarHBondContact N-O 3.25Å; G1420-L1450 PolarHBondContact O-N 2.81Å
1421H97.5Very high96.7Very high15 Ų1517.9 Ų17.97%0.0698%0.081CC..EExtended strand (participates in β ladder)trans-107.5135.5161.9178.2-98.5000110.8V1349 G1351 L1359 M1423 G1424 L1450 H1588 L1592V1349-H1421 PolarHBondContact O-N 2.87Å; V1349-H1421 VanDerWaalsContact O-N 3.07Å; G1351-H1421 WeakPolarHBondContact CA-O 3.21Å; L1359-H1421 HydrophobicContact CD2-CB 4.4Å; H1421-M1423 PolarHBondContact O-N 2.9Å; H1421-G1424 PolarHBondContact O-N 3.49Å; H1421-L1450 WeakPolarHBondContact CA-O 3.38Å; H1421-H1588 AromaticContact CE1-CD2 3.97Å; H1421-H1588 AromaticContact CE1-NE2 3.59Å; H1421-H1588 PolarHBondContact NE2-O 3.28Å; H1421-L1592 HydrophobicContact CB-CD1 4.35Å; H1421-L1592 HydrophobicContact CB-CD2 4.28Å
1422S95.6Very high97Very high14 Ų1414 Ų1410%0.0986%0.063CC..THydrogen-bonded Turntrans49.7-126.3171.5-172.20000111G1424 C1425 L1450 P1453 H1588S1422-G1424 PolarHBondContact O-N 3.08Å; S1422-G1424 VanDerWaalsContact O-N 3.14Å; S1422-C1425 VanDerWaalsContact O-CB 3.28Å; S1422-C1425 WeakPolarHBondContact O-CB 3.33Å; S1422-C1425 PolarHBondContact O-N 3.32Å; S1422-C1425 VanDerWaalsContact O-N 3.08Å; S1422-C1425 PolarHBondContact O-SG 2.98Å; S1422-L1450 PolarHBondContact N-O 3.42Å; S1422-P1453 VanDerWaalsContact C-CD 3.48Å; S1422-P1453 WeakPolarHBondContact O-CD 3.4Å; S1422-H1588 PolarHBondContact OG-CE1 3.42Å; S1422-H1588 PolarHBondContact OG-NE2 3Å
1423M95.6Very high97.1Very high1 Ų113.3 Ų13.31%0.0056%0.063CC..THydrogen-bonded Turntrans-51.7-32177.4-168.4179.178.700114.8L1352 T1387 F1391 M1394 H1421 C1425 I1426 I1427 L1484L1352-M1423 HydrophobicContact CB-CB 4.22Å; L1352-M1423 HydrophobicContact CB-CE 4.28Å; L1352-M1423 HydrophobicContact CB-SD 4.03Å; L1352-M1423 HydrophobicContact CD1-CE 4.2Å; L1352-M1423 HydrophobicContact CD1-SD 3.88Å; T1387-M1423 HydrophobicContact CG2-CE 4.16Å; T1387-M1423 WeakPolarHBondContact O-CE 3.33Å; F1391-M1423 HydrophobicContact CE1-CG 3.57Å; F1391-M1423 HydrophobicContact CE1-SD 4.15Å; F1391-M1423 HydrophobicContact CZ-CG 3.73Å; F1391-M1423 HydrophobicContact CZ-SD 4.19Å; M1394-M1423 HydrophobicContact CE-CE 3.89Å; M1394-M1423 HydrophobicContact CE-SD 4.25Å; M1394-M1423 HydrophobicContact SD-CE 3.82Å; H1421-M1423 PolarHBondContact O-N 2.9Å; M1423-C1425 PolarHBondContact O-N 3.39Å; M1423-C1425 VanDerWaalsContact O-N 3.14Å; M1423-I1426 WeakPolarHBondContact O-CB 3.5Å; M1423-I1426 PolarHBondContact O-N 3.35Å; M1423-I1427 HydrophobicContact CE-CD1 4.16Å; M1423-I1427 PolarHBondContact O-N 3.35Å; M1423-L1484 HydrophobicContact CG-CD1 4.2Å; M1423-L1484 HydrophobicContact SD-CD1 4.44Å
1424G97.5Very high97.1Very high0 Ų015.2 Ų15.20%07%0.073CC..Hα-helixtrans-58.2-28178.100000113.3H1350 H1421 S1422 I1426 I1427 I1428H1350-G1424 WeakPolarHBondContact O-CA 3.17Å; H1350-G1424 PolarHBondContact O-N 3.12Å; H1421-G1424 PolarHBondContact O-N 3.49Å; S1422-G1424 PolarHBondContact O-N 3.08Å; S1422-G1424 VanDerWaalsContact O-N 3.14Å; G1424-I1426 PolarHBondContact O-N 3.46Å; G1424-I1427 PolarHBondContact O-N 2.81Å; G1424-I1428 WeakPolarHBondContact O-CD1 3.39Å; G1424-I1428 VanDerWaalsContact O-CG1 3.27Å; G1424-I1428 WeakPolarHBondContact O-CG1 3.38Å; G1424-I1428 PolarHBondContact O-N 3.33Å
1425C98Very high97Very high0 Ų014.8 Ų14.80%08%0.083CC..Hα-helixtrans-61.6-26.9173.5-55.90000113.3G1420 S1422 M1423 R1429 F1447 S1449 G1452G1420-C1425 PolarHBondContact O-SG 3.09Å; S1422-C1425 VanDerWaalsContact O-CB 3.28Å; S1422-C1425 WeakPolarHBondContact O-CB 3.33Å; S1422-C1425 PolarHBondContact O-N 3.32Å; S1422-C1425 VanDerWaalsContact O-N 3.08Å; S1422-C1425 PolarHBondContact O-SG 2.98Å; M1423-C1425 PolarHBondContact O-N 3.39Å; M1423-C1425 VanDerWaalsContact O-N 3.14Å; C1425-R1429 WeakPolarHBondContact O-CG 3.48Å; C1425-R1429 PolarHBondContact O-N 2.94Å; C1425-F1447 HydrophobicContact CB-CZ 4.21Å; C1425-S1449 PolarHBondContact SG-OG 3.16Å; C1425-G1452 WeakPolarHBondContact SG-CA 3.43Å
1426I97.6Very high97Very high0 Ų018.4 Ų18.40%010%0.096CC..Hα-helixtrans-87-39178.8-51.4-53.4000110.5F1391 M1423 G1424 I1428 R1429 A1430 P1453 L1484 L1497 L1500F1391-I1426 HydrophobicContact CD1-CB 4.19Å; F1391-I1426 HydrophobicContact CD1-CG2 3.79Å; F1391-I1426 HydrophobicContact CD2-CG2 4.14Å; F1391-I1426 HydrophobicContact CE1-CB 3.66Å; F1391-I1426 HydrophobicContact CE1-CG2 3.6Å; F1391-I1426 HydrophobicContact CE2-CG2 3.97Å; F1391-I1426 HydrophobicContact CG-CG2 4.08Å; F1391-I1426 HydrophobicContact CZ-CB 3.95Å; F1391-I1426 HydrophobicContact CZ-CG2 3.7Å; M1423-I1426 WeakPolarHBondContact O-CB 3.5Å; M1423-I1426 PolarHBondContact O-N 3.35Å; G1424-I1426 PolarHBondContact O-N 3.46Å; I1426-I1428 VanDerWaalsContact C-N 3.3Å; I1426-I1428 PolarHBondContact O-N 3.05Å; I1426-R1429 PolarHBondContact O-N 3.38Å; I1426-R1429 VanDerWaalsContact O-N 3.16Å; I1426-A1430 PolarHBondContact O-N 2.71Å; I1426-P1453 HydrophobicContact CD1-CG 4.33Å; I1426-P1453 WeakPolarHBondContact CD1-O 3.42Å; I1426-P1453 HydrophobicContact CG1-CG 3.93Å; I1426-L1484 HydrophobicContact CG1-CD2 4.09Å; I1426-L1497 HydrophobicContact CG2-CD2 4.1Å; I1426-L1500 HydrophobicContact CG2-CD2 3.65Å
1427I97.8Very high96.9Very high1 Ų118.5 Ų18.51%0.00510%0.097CC..Hα-helixtrans-58.1-44.5171.7-52.2175.9000110.1V1349 F1391 M1394 L1398 M1423 G1424 R1429 A1430 A1431V1349-I1427 HydrophobicContact CG1-CB 4.4Å; V1349-I1427 HydrophobicContact CG1-CD1 4.31Å; F1391-I1427 HydrophobicContact CD1-CG1 4.06Å; F1391-I1427 HydrophobicContact CE1-CG1 4.14Å; M1394-I1427 HydrophobicContact CB-CD1 4.13Å; M1394-I1427 HydrophobicContact CB-CG1 4.23Å; M1394-I1427 HydrophobicContact CB-CG2 4.15Å; M1394-I1427 HydrophobicContact CE-CD1 4.36Å; M1394-I1427 HydrophobicContact CE-CG1 4.31Å; M1394-I1427 WeakPolarHBondContact O-CG2 3.41Å; M1394-I1427 HydrophobicContact SD-CD1 4.02Å; L1398-I1427 HydrophobicContact CB-CG2 4.18Å; L1398-I1427 HydrophobicContact CD2-CG2 3.72Å; M1423-I1427 HydrophobicContact CE-CD1 4.16Å; M1423-I1427 PolarHBondContact O-N 3.35Å; G1424-I1427 PolarHBondContact O-N 2.81Å; I1427-R1429 PolarHBondContact O-N 2.97Å; I1427-A1430 PolarHBondContact O-N 3.35Å; I1427-A1431 VanDerWaalsContact O-CB 3.3Å; I1427-A1431 WeakPolarHBondContact O-CB 3.4Å; I1427-A1431 PolarHBondContact O-N 2.93Å
1428I98.2Very high96.6Very high0 Ų025.2 Ų25.20%013%0.128CC..Hα-helixtrans-59.5-46175.1-68.3162.1000111.2V1349 L1398 F1418 G1424 I1426 A1430 A1431 L1432 F1447V1349-I1428 HydrophobicContact CB-CD1 3.87Å; V1349-I1428 HydrophobicContact CB-CG1 4.03Å; V1349-I1428 HydrophobicContact CG2-CD1 3.81Å; V1349-I1428 HydrophobicContact CG2-CG1 3.66Å; L1398-I1428 HydrophobicContact CD2-CG1 4.35Å; F1418-I1428 HydrophobicContact CB-CD1 4.19Å; F1418-I1428 HydrophobicContact CB-CG2 3.89Å; F1418-I1428 HydrophobicContact CD1-CB 4.44Å; F1418-I1428 HydrophobicContact CD1-CD1 4.25Å; F1418-I1428 HydrophobicContact CD1-CG1 3.9Å; F1418-I1428 HydrophobicContact CD1-CG2 3.77Å; F1418-I1428 HydrophobicContact CE1-CG2 4.44Å; F1418-I1428 HydrophobicContact CG-CG2 3.88Å; G1424-I1428 WeakPolarHBondContact O-CD1 3.39Å; G1424-I1428 VanDerWaalsContact O-CG1 3.27Å; G1424-I1428 WeakPolarHBondContact O-CG1 3.38Å; G1424-I1428 PolarHBondContact O-N 3.33Å; I1426-I1428 VanDerWaalsContact C-N 3.3Å; I1426-I1428 PolarHBondContact O-N 3.05Å; I1428-A1430 VanDerWaalsContact C-N 3.35Å; I1428-A1430 PolarHBondContact O-N 3.08Å; I1428-A1431 PolarHBondContact O-N 3.13Å; I1428-L1432 WeakPolarHBondContact O-CG 3.4Å; I1428-L1432 PolarHBondContact O-N 2.85Å; I1428-F1447 HydrophobicContact CB-CE2 4.29Å; I1428-F1447 HydrophobicContact CD1-CE2 4.02Å; I1428-F1447 HydrophobicContact CG2-CD2 4.13Å; I1428-F1447 HydrophobicContact CG2-CE2 3.83Å
1429R97.4Very high96.4Very high11 Ų1129.4 Ų29.44%0.04216%0.155CC..Hα-helixtrans-62-40.1178.2-82.4175.960.5-164.4-6.8112.9C1425 I1426 I1427 H1454 L1500 L1506C1425-R1429 WeakPolarHBondContact O-CG 3.48Å; C1425-R1429 PolarHBondContact O-N 2.94Å; I1426-R1429 PolarHBondContact O-N 3.38Å; I1426-R1429 VanDerWaalsContact O-N 3.16Å; I1427-R1429 PolarHBondContact O-N 2.97Å; R1429-H1454 WeakPolarHBondContact CD-ND1 3.5Å; R1429-H1454 PolarHBondContact NH1-ND1 3.09Å; R1429-H1454 PolarHBondContact NH1-O 3.38Å; R1429-L1500 HydrophobicContact CB-CD1 4.2Å; R1429-L1500 HydrophobicContact CB-CD2 4.03Å; R1429-L1500 HydrophobicContact CB-CG 4.31Å; R1429-L1500 PolarHBondContact NH2-O 3.36Å; R1429-L1506 HydrophobicContact CG-CD2 3.78Å; R1429-L1506 HydrophobicContact CG-CG 4.28Å
1430A97.3Very high96.3Very high4 Ų430.8 Ų30.83%0.03316%0.161CC..Hα-helixtrans-68.7-41.1175.900000111.8I1426 I1427 I1428 L1432 L1433 Y1496 L1500I1426-A1430 PolarHBondContact O-N 2.71Å; I1427-A1430 PolarHBondContact O-N 3.35Å; I1428-A1430 VanDerWaalsContact C-N 3.35Å; I1428-A1430 PolarHBondContact O-N 3.08Å; A1430-L1432 VanDerWaalsContact C-N 3.25Å; A1430-L1432 PolarHBondContact O-N 3.07Å; A1430-L1433 WeakPolarHBondContact O-CB 3.33Å; A1430-L1433 PolarHBondContact O-N 2.96Å; A1430-Y1496 WeakPolarHBondContact CB-OH 3.25Å; A1430-L1500 HydrophobicContact CB-CD1 4.42Å
1431A97.4Very high96.1Very high1 Ų132.8 Ų32.81%0.00817%0.171CC..Hα-helixtrans-58.5-35179.900000113.1L1398 V1399 I1427 I1428 L1433 N1434 M1437L1398-A1431 HydrophobicContact CD2-CB 4.02Å; V1399-A1431 HydrophobicContact CG2-CB 3.54Å; V1399-A1431 WeakPolarHBondContact CG2-O 3.25Å; I1427-A1431 VanDerWaalsContact O-CB 3.3Å; I1427-A1431 WeakPolarHBondContact O-CB 3.4Å; I1427-A1431 PolarHBondContact O-N 2.93Å; I1428-A1431 PolarHBondContact O-N 3.13Å; A1431-L1433 PolarHBondContact O-N 2.74Å; A1431-N1434 WeakPolarHBondContact O-CB 3.19Å; A1431-N1434 PolarHBondContact O-N 3.26Å; A1431-N1434 VanDerWaalsContact O-N 3.15Å; A1431-M1437 VanDerWaalsContact O-CG 3.28Å; A1431-M1437 WeakPolarHBondContact O-CG 3.45Å
1432L96.3Very high95.9Very high8 Ų836 Ų364%0.04220%0.195CC..THydrogen-bonded Turntrans-65.5-14.4176.8-65.4167000114.1I1428 A1430 L1441 L1444 F1509I1428-L1432 WeakPolarHBondContact O-CG 3.4Å; I1428-L1432 PolarHBondContact O-N 2.85Å; A1430-L1432 VanDerWaalsContact C-N 3.25Å; A1430-L1432 PolarHBondContact O-N 3.07Å; L1432-L1441 HydrophobicContact CD2-CD2 3.96Å; L1432-L1444 HydrophobicContact CD2-CD1 3.73Å; L1432-L1444 HydrophobicContact CD2-CD2 4.15Å; L1432-F1509 HydrophobicContact CD1-CE2 3.67Å; L1432-F1509 HydrophobicContact CD1-CZ 4.13Å; L1432-F1509 HydrophobicContact CD2-CZ 4.44Å
1433L95.4Very high95.9Very high75 Ų7538.1 Ų38.139%0.39320%0.203SC..THydrogen-bonded Turntrans-90.7-11.3176.6-50.7-174.6000113.1A1430 A1431 L1500 S1503 P1504A1430-L1433 WeakPolarHBondContact O-CB 3.33Å; A1430-L1433 PolarHBondContact O-N 2.96Å; A1431-L1433 PolarHBondContact O-N 2.74Å; L1433-L1500 HydrophobicContact CD1-CD1 3.76Å; L1433-S1503 WeakPolarHBondContact CD1-OG 3.14Å; L1433-P1504 VanDerWaalsContact CD2-O 3.25Å; L1433-P1504 WeakPolarHBondContact CD2-O 3.37Å
1434N95.1Very high96Very high39 Ų3938 Ų3821%0.20920%0.202CC..SBendtrans-74131179.5-169.3-60000110V1399 A1431 R1436 M1437V1399-N1434 HydrophobicContact CB-CB 4.39Å; V1399-N1434 HydrophobicContact CG1-CB 4.13Å; V1399-N1434 HydrophobicContact CG2-CB 3.85Å; A1431-N1434 WeakPolarHBondContact O-CB 3.19Å; A1431-N1434 PolarHBondContact O-N 3.26Å; A1431-N1434 VanDerWaalsContact O-N 3.15Å; N1434-R1436 PolarHBondContact O-N 2.91Å; N1434-R1436 VanDerWaalsContact O-N 3.12Å; N1434-R1436 WeakPolarHBondContact OD1-CB 3.28Å; N1434-R1436 WeakPolarHBondContact OD1-CG 3.26Å; N1434-R1436 PolarHBondContact OD1-N 2.74Å; N1434-M1437 WeakPolarHBondContact O-CB 3.49Å; N1434-M1437 PolarHBondContact O-N 3.46Å
1435S93.8Very high96Very high92 Ų9238.6 Ų38.664%0.64321%0.205SC*.G310 helixtrans-58.8-26.8-178.753.50000113.7M1437 E1438S1435-M1437 PolarHBondContact O-N 3.33Å; S1435-E1438 VanDerWaalsContact O-CB 3.29Å; S1435-E1438 WeakPolarHBondContact O-CB 3.4Å; S1435-E1438 PolarHBondContact O-N 2.93Å; S1435-E1438 VanDerWaalsContact O-N 3.12Å
1436R94.8Very high96Very high126 Ų12638.6 Ų38.648%0.47521%0.205SC..G310 helixtrans-66.8-16.1174.5-54.1-168.979.5-163.80.3113.3V1399 N1400 N1434V1399-R1436 HydrophobicContact CG1-CB 3.73Å; N1400-R1436 PolarHBondContact OD1-NH1 2.8Å; N1434-R1436 PolarHBondContact O-N 2.91Å; N1434-R1436 VanDerWaalsContact O-N 3.12Å; N1434-R1436 WeakPolarHBondContact OD1-CB 3.28Å; N1434-R1436 WeakPolarHBondContact OD1-CG 3.26Å; N1434-R1436 PolarHBondContact OD1-N 2.74Å
1437M95.2Very high96Very high1 Ų138.6 Ų38.61%0.00521%0.205CC..G310 helixtrans-85.8-13.9173.2-72.3-60.5-63.900114.1V1399 I1402 F1418 A1431 N1434 S1435 P1439 Y1440 L1441V1399-M1437 HydrophobicContact CB-CG 4.42Å; V1399-M1437 HydrophobicContact CG1-CG 3.87Å; V1399-M1437 HydrophobicContact CG1-SD 4.21Å; V1399-M1437 HydrophobicContact CG2-CG 3.7Å; V1399-M1437 HydrophobicContact CG2-SD 4.28Å; I1402-M1437 HydrophobicContact CD1-SD 4.49Å; I1402-M1437 HydrophobicContact CG2-CE 4.47Å; I1402-M1437 HydrophobicContact CG2-SD 4.1Å; F1418-M1437 HydrophobicContact CE2-CE 4.41Å; F1418-M1437 HydrophobicContact CZ-CE 3.94Å; A1431-M1437 VanDerWaalsContact O-CG 3.28Å; A1431-M1437 WeakPolarHBondContact O-CG 3.45Å; N1434-M1437 WeakPolarHBondContact O-CB 3.49Å; N1434-M1437 PolarHBondContact O-N 3.46Å; S1435-M1437 PolarHBondContact O-N 3.33Å; M1437-P1439 VanDerWaalsContact C-CD 3.43Å; M1437-Y1440 HydrophobicContact CE-CD2 4.34Å; M1437-Y1440 WeakPolarHBondContact O-CA 3.5Å; M1437-Y1440 WeakPolarHBondContact O-CB 3.44Å; M1437-Y1440 PolarHBondContact O-N 2.79Å; M1437-Y1440 HydrophobicContact SD-CD2 4.05Å; M1437-L1441 HydrophobicContact CB-CD2 4.33Å; M1437-L1441 WeakPolarHBondContact O-CG 3Å; M1437-L1441 PolarHBondContact O-N 3.27Å
1438E93.8Very high96.1Very high141 Ų14138.7 Ų38.766%0.65921%0.205SC*.Hα-helixtrans-50.6-44.2-176.4-171.4177.8-178.300114S1435 Y1440 L1441S1435-E1438 VanDerWaalsContact O-CB 3.29Å; S1435-E1438 WeakPolarHBondContact O-CB 3.4Å; S1435-E1438 PolarHBondContact O-N 2.93Å; S1435-E1438 VanDerWaalsContact O-N 3.12Å; E1438-Y1440 PolarHBondContact O-N 2.96Å; E1438-L1441 PolarHBondContact O-N 3.36Å
1439P94.2Very high96.1Very high88 Ų8838.7 Ų38.757%0.57121%0.205SC*.Hα-helixtrans-63.7-14.8177.3-21.734.9000114.7M1437M1437-P1439 VanDerWaalsContact C-CD 3.43Å
1440Y95Very high96.1Very high30 Ų3038.2 Ų38.212%0.11820%0.204CC..Hα-helixtrans-106.3-18.1-173.9-55.7-46.4000113.4I1406 I1416 M1437 E1438 S1442 K1443I1406-Y1440 HydrophobicContact CD1-CD1 4.2Å; I1406-Y1440 HydrophobicContact CD1-CD2 4.21Å; I1406-Y1440 HydrophobicContact CD1-CE1 4.04Å; I1406-Y1440 HydrophobicContact CD1-CE2 4.05Å; I1406-Y1440 HydrophobicContact CD1-CG 4.29Å; I1406-Y1440 HydrophobicContact CG2-CE1 3.83Å; I1406-Y1440 WeakPolarHBondContact CG2-OH 3.44Å; I1416-Y1440 HydrophobicContact CD1-CD1 4.25Å; I1416-Y1440 HydrophobicContact CD1-CG 4.2Å; M1437-Y1440 HydrophobicContact CE-CD2 4.34Å; M1437-Y1440 WeakPolarHBondContact O-CA 3.5Å; M1437-Y1440 WeakPolarHBondContact O-CB 3.44Å; M1437-Y1440 PolarHBondContact O-N 2.79Å; M1437-Y1440 HydrophobicContact SD-CD2 4.05Å; E1438-Y1440 PolarHBondContact O-N 2.96Å; Y1440-S1442 VanDerWaalsContact C-N 3.27Å; Y1440-S1442 PolarHBondContact O-N 3.46Å; Y1440-K1443 WeakPolarHBondContact O-CB 3.45Å; Y1440-K1443 PolarHBondContact O-N 3.11Å
1441L94.9Very high96Very high41 Ų4138.1 Ų38.122%0.21520%0.203CC..Hα-helixtrans-57.7-35.8-176-64.2-176.9000113.5L1432 M1437 E1438 K1443 L1444 L1508L1432-L1441 HydrophobicContact CD2-CD2 3.96Å; M1437-L1441 HydrophobicContact CB-CD2 4.33Å; M1437-L1441 WeakPolarHBondContact O-CG 3Å; M1437-L1441 PolarHBondContact O-N 3.27Å; E1438-L1441 PolarHBondContact O-N 3.36Å; L1441-K1443 PolarHBondContact O-N 3.49Å; L1441-L1444 HydrophobicContact CB-CD1 4.42Å; L1441-L1444 HydrophobicContact CD2-CD1 3.89Å; L1441-L1444 WeakPolarHBondContact O-CB 3.45Å; L1441-L1444 WeakPolarHBondContact O-CD1 3.44Å; L1441-L1444 VanDerWaalsContact O-CG 3.27Å; L1441-L1444 WeakPolarHBondContact O-CG 3.11Å; L1441-L1444 PolarHBondContact O-N 3.11Å; L1441-L1508 HydrophobicContact CB-CD1 4.16Å; L1441-L1508 HydrophobicContact CD1-CD1 4.03Å; L1441-L1508 HydrophobicContact CD2-CD1 4.07Å; L1441-L1508 HydrophobicContact CG-CD1 4.3Å
1442S93.5Very high96Very high83 Ų8338 Ų3858%0.5820%0.202SC*.THydrogen-bonded Turntrans-63.1-27.8177.660.40000113.5Y1440 R1563Y1440-S1442 VanDerWaalsContact C-N 3.27Å; Y1440-S1442 PolarHBondContact O-N 3.46Å; S1442-R1563 PolarHBondContact O-NH1 2.83Å; S1442-R1563 PolarHBondContact O-NH2 2.88Å
1443K95.6Very high96Very high58 Ų5837.8 Ų37.825%0.25220%0.201SC..THydrogen-bonded Turntrans-86.9-3.1-175.3-54.3-179.4175.5-172.10114P1413 R1415 I1416 Y1440 L1441 H1445P1413-K1443 WeakPolarHBondContact O-CD 3.46Å; P1413-K1443 WeakPolarHBondContact O-CE 3.26Å; P1413-K1443 PolarHBondContact O-NZ 2.57Å; R1415-K1443 WeakPolarHBondContact CA-O 3.32Å; I1416-K1443 HydrophobicContact CD1-CB 4.34Å; I1416-K1443 HydrophobicContact CD1-CD 4.29Å; I1416-K1443 HydrophobicContact CG1-CB 4.32Å; I1416-K1443 PolarHBondContact N-O 3.11Å; Y1440-K1443 WeakPolarHBondContact O-CB 3.45Å; Y1440-K1443 PolarHBondContact O-N 3.11Å; L1441-K1443 PolarHBondContact O-N 3.49Å; K1443-H1445 PolarHBondContact O-N 3.09Å
1444L97.3Very high96Very high0 Ų034.2 Ų34.20%018%0.182CC..EExtended strand (participates in β ladder)trans-65.3120.2-175-65.6174.2000111.8I1416 F1418 L1432 L1441 L1508 F1509 R1563I1416-L1444 WeakPolarHBondContact O-CA 3.44Å; F1418-L1444 HydrophobicContact CD2-CD2 4.08Å; F1418-L1444 HydrophobicContact CE2-CD2 3.7Å; L1432-L1444 HydrophobicContact CD2-CD1 3.73Å; L1432-L1444 HydrophobicContact CD2-CD2 4.15Å; L1441-L1444 HydrophobicContact CB-CD1 4.42Å; L1441-L1444 HydrophobicContact CD2-CD1 3.89Å; L1441-L1444 WeakPolarHBondContact O-CB 3.45Å; L1441-L1444 WeakPolarHBondContact O-CD1 3.44Å; L1441-L1444 VanDerWaalsContact O-CG 3.27Å; L1441-L1444 WeakPolarHBondContact O-CG 3.11Å; L1441-L1444 PolarHBondContact O-N 3.11Å; L1444-L1508 HydrophobicContact CD1-CB 3.83Å; L1444-L1508 HydrophobicContact CD1-CD1 4.41Å; L1444-F1509 HydrophobicContact CB-CD1 3.82Å; L1444-F1509 HydrophobicContact CB-CE1 3.95Å; L1444-F1509 HydrophobicContact CB-CG 4.18Å; L1444-F1509 HydrophobicContact CB-CZ 4.43Å; L1444-F1509 HydrophobicContact CD1-CE2 4.22Å; L1444-F1509 HydrophobicContact CD1-CZ 4.22Å; L1444-F1509 HydrophobicContact CD2-CE1 3.83Å; L1444-F1509 HydrophobicContact CD2-CZ 3.9Å; L1444-F1509 HydrophobicContact CG-CE1 4.32Å; L1444-F1509 HydrophobicContact CG-CZ 4.4Å; L1444-R1563 PolarHBondContact O-NH2 3.1Å
1445H97.2Very high96Very high12 Ų1232.3 Ų32.36%0.05617%0.172CC..EExtended strand (participates in β ladder)trans-107-69.3-174.3-163.8-95.3000111.5H1344 R1415 I1416 K1443 R1510 Y1511 Y1609 R1611H1344-H1445 AromaticContact CE1-ND1 3.94Å; R1415-H1445 HydrophobicContact CB-CB 4.26Å; R1415-H1445 PolarHBondContact NH1-CE1 3.37Å; R1415-H1445 PolarHBondContact NH1-NE2 2.94Å; I1416-H1445 PolarHBondContact O-N 2.86Å; K1443-H1445 PolarHBondContact O-N 3.09Å; H1445-R1510 PolarHBondContact NE2-NH1 3.22Å; H1445-R1510 WeakPolarHBondContact O-CA 3.28Å; H1445-R1510 WeakPolarHBondContact O-CB 3.39Å; H1445-R1510 PolarHBondContact O-N 2.79Å; H1445-Y1511 AromaticContact CE1-CD2 3.83Å; H1445-Y1511 AromaticContact CE1-CE2 3.65Å; H1445-Y1511 PolarHBondContact O-N 3.12Å; H1445-Y1609 PolarHBondContact CE1-O 2.85Å; H1445-Y1609 PolarHBondContact ND1-O 3.22Å; H1445-R1611 PolarHBondContact CE1-O 2.74Å
1446T98.3Very high95.9Very high0 Ų028 Ų280%014%0.142CC..EExtended strand (participates in β ladder)trans-125.1128.9-173.1-350000110.5S1417 F1418 F1509 Y1511 L1513 Y1609 F1610S1417-T1446 CarbonylContact C-O 3.49Å; S1417-T1446 WeakPolarHBondContact CA-O 3.41Å; S1417-T1446 WeakPolarHBondContact CB-O 3.3Å; S1417-T1446 WeakPolarHBondContact OG-CB 3.42Å; S1417-T1446 PolarHBondContact OG-N 3.33Å; S1417-T1446 PolarHBondContact OG-O 2.61Å; S1417-T1446 PolarHBondContact OG-OG1 2.94Å; S1417-T1446 VanDerWaalsContact OG-OG1 3.08Å; F1418-T1446 PolarHBondContact N-O 3.42Å; T1446-F1509 VanDerWaalsContact C-CD1 3.47Å; T1446-Y1511 CarbonylContact C-O 3.53Å; T1446-Y1511 WeakPolarHBondContact CA-O 3.48Å; T1446-L1513 HydrophobicContact CG2-CD1 3.77Å; T1446-L1513 HydrophobicContact CG2-CG 4.11Å; T1446-Y1609 PolarHBondContact OG1-O 3.41Å; T1446-F1610 HydrophobicContact CG2-CD1 4.42Å; T1446-F1610 HydrophobicContact CG2-CD2 4.36Å; T1446-F1610 HydrophobicContact CG2-CE1 4.07Å; T1446-F1610 HydrophobicContact CG2-CE2 3.99Å; T1446-F1610 HydrophobicContact CG2-CZ 3.83Å
1447F98.4Very high95.7Very high0 Ų022.5 Ų22.50%012%0.122CC..EExtended strand (participates in β ladder)trans-108118.7163.3175.7-129000108.9F1418 C1425 I1428 H1454 L1506 F1509 Y1511 V1512 L1513F1418-F1447 HydrophobicContact CB-CD2 3.99Å; F1418-F1447 CarbonylContact O-C 3.57Å; F1418-F1447 WeakPolarHBondContact O-CA 3.38Å; C1425-F1447 HydrophobicContact CB-CZ 4.21Å; I1428-F1447 HydrophobicContact CB-CE2 4.29Å; I1428-F1447 HydrophobicContact CD1-CE2 4.02Å; I1428-F1447 HydrophobicContact CG2-CD2 4.13Å; I1428-F1447 HydrophobicContact CG2-CE2 3.83Å; F1447-H1454 AromaticContact CE1-CE1 3.72Å; F1447-H1454 AromaticContact CZ-CE1 3.88Å; F1447-L1506 HydrophobicContact CD1-CD2 3.65Å; F1447-L1506 HydrophobicContact CE1-CD2 3.66Å; F1447-F1509 HydrophobicContact CB-CD1 3.8Å; F1447-F1509 HydrophobicContact CB-CD2 3.95Å; F1447-F1509 HydrophobicContact CB-CE1 3.78Å; F1447-F1509 HydrophobicContact CB-CE2 3.93Å; F1447-F1509 HydrophobicContact CB-CG 3.88Å; F1447-F1509 HydrophobicContact CB-CZ 3.85Å; F1447-F1509 HydrophobicContact CG-CE2 4.46Å; F1447-F1509 HydrophobicContact CG-CZ 4.46Å; F1447-Y1511 PolarHBondContact N-O 3.06Å; F1447-V1512 HydrophobicContact CD1-CG1 4.28Å; F1447-L1513 PolarHBondContact O-N 3.04Å
1448L98.5Very high95.4Very high2 Ų223.3 Ų23.31%0.0113%0.127CC..EExtended strand (participates in β ladder)trans-108.8113.8174.9174.659.7000109.2F1418 I1419 G1420 L1450 L1513 V1515 F1601 F1610F1418-L1448 PolarHBondContact O-N 3.31Å; I1419-L1448 WeakPolarHBondContact CA-O 3.42Å; I1419-L1448 HydrophobicContact CD1-CD2 4.35Å; I1419-L1448 HydrophobicContact CG1-CB 4.24Å; I1419-L1448 HydrophobicContact CG1-CD2 4.35Å; I1419-L1448 HydrophobicContact CG2-CB 4.44Å; I1419-L1448 HydrophobicContact CG2-CD2 4.08Å; I1419-L1448 HydrophobicContact CG2-CG 4.29Å; G1420-L1448 PolarHBondContact N-O 3.25Å; L1448-L1450 HydrophobicContact CD1-CD2 3.81Å; L1448-L1450 HydrophobicContact CD2-CD2 4.3Å; L1448-L1450 HydrophobicContact CG-CD2 3.93Å; L1448-L1450 HydrophobicContact CG-CG 4.36Å; L1448-L1513 HydrophobicContact CD1-CB 3.81Å; L1448-L1513 HydrophobicContact CD1-CD1 4.21Å; L1448-V1515 HydrophobicContact CD1-CG2 3.73Å; L1448-F1601 HydrophobicContact CD1-CE1 4.01Å; L1448-F1601 HydrophobicContact CD1-CZ 3.82Å; L1448-F1601 HydrophobicContact CD2-CE1 4.08Å; L1448-F1610 HydrophobicContact CB-CZ 4.3Å; L1448-F1610 HydrophobicContact CD2-CZ 4.3Å
1449S98.3Very high94.9Very high0 Ų019 Ų190%011%0.105CC..EExtended strand (participates in β ladder)trans-105.1118.5177.4-175.60000110.3C1425 G1452 H1454 L1513 V1515C1425-S1449 PolarHBondContact SG-OG 3.16Å; S1449-G1452 WeakPolarHBondContact OG-CA 3.39Å; S1449-H1454 PolarHBondContact OG-NE2 3.11Å; S1449-L1513 PolarHBondContact N-O 3.18Å; S1449-V1515 WeakPolarHBondContact O-CB 3.38Å; S1449-V1515 PolarHBondContact O-N 3.09Å
1450L97.4Very high94.3Very high1 Ų115.4 Ų15.41%0.0058%0.081CC..EExtended strand (participates in β ladder)trans-104.2107.7176.1-53.4-178.5000108.9L1359 V1362 G1420 H1421 S1422 L1448 G1452 V1515 V1591 L1592L1359-L1450 HydrophobicContact CD2-CD1 4.06Å; V1362-L1450 HydrophobicContact CG2-CD1 4.23Å; G1420-L1450 PolarHBondContact O-N 2.81Å; H1421-L1450 WeakPolarHBondContact CA-O 3.38Å; S1422-L1450 PolarHBondContact N-O 3.42Å; L1448-L1450 HydrophobicContact CD1-CD2 3.81Å; L1448-L1450 HydrophobicContact CD2-CD2 4.3Å; L1448-L1450 HydrophobicContact CG-CD2 3.93Å; L1448-L1450 HydrophobicContact CG-CG 4.36Å; L1450-G1452 VanDerWaalsContact C-N 3.28Å; L1450-G1452 PolarHBondContact O-N 3.35Å; L1450-V1515 HydrophobicContact CD2-CB 3.89Å; L1450-V1515 HydrophobicContact CD2-CG1 4.34Å; L1450-V1515 HydrophobicContact CD2-CG2 3.78Å; L1450-V1591 HydrophobicContact CB-CG1 4.21Å; L1450-V1591 HydrophobicContact CB-CG2 3.99Å; L1450-V1591 HydrophobicContact CD1-CG2 4.5Å; L1450-V1591 HydrophobicContact CD2-CG2 4.05Å; L1450-V1591 HydrophobicContact CG-CG2 4.4Å; L1450-L1592 HydrophobicContact CD1-CD2 3.94Å
1451S96.1Very high93.1Very high2 Ų219 Ų191%0.01411%0.11CC..SBendtrans52.336.6-175.2-72.80000115V1515 D1520 V1523S1451-V1515 PolarHBondContact N-O 2.9Å; S1451-D1520 VanDerWaalsContact CB-OD2 3.28Å; S1451-D1520 WeakPolarHBondContact CB-OD2 3.26Å; S1451-D1520 PolarHBondContact OG-OD2 2.87Å; S1451-V1523 WeakPolarHBondContact O-CG2 3.42Å
1452G96.7Very high92.1Very high0 Ų017.5 Ų17.50%010%0.103CC..  trans-70.4128.6-177.600000114.3C1425 S1449 L1450 H1454 S1527 T1528C1425-G1452 WeakPolarHBondContact SG-CA 3.43Å; S1449-G1452 WeakPolarHBondContact OG-CA 3.39Å; L1450-G1452 VanDerWaalsContact C-N 3.28Å; L1450-G1452 PolarHBondContact O-N 3.35Å; G1452-H1454 PolarHBondContact O-CD2 2.85Å; G1452-H1454 VanDerWaalsContact O-CD2 3.31Å; G1452-H1454 PolarHBondContact O-N 3.22Å; G1452-S1527 CarbonylContact O-C 3.56Å; G1452-T1528 VanDerWaalsContact O-CA 3.26Å; G1452-T1528 WeakPolarHBondContact O-CA 3.46Å
1453P96.2Very high91Very high2 Ų216 Ų161%0.01310%0.101CC..  trans-81.759.5-178.734.4-36.2000112.2S1422 I1426 L1455 G1456 L1484 V1523 S1527S1422-P1453 VanDerWaalsContact C-CD 3.48Å; S1422-P1453 WeakPolarHBondContact O-CD 3.4Å; I1426-P1453 HydrophobicContact CD1-CG 4.33Å; I1426-P1453 WeakPolarHBondContact CD1-O 3.42Å; I1426-P1453 HydrophobicContact CG1-CG 3.93Å; P1453-L1455 PolarHBondContact O-N 3.37Å; P1453-L1455 VanDerWaalsContact O-N 3.08Å; P1453-G1456 WeakPolarHBondContact O-CA 3.45Å; P1453-G1456 PolarHBondContact O-N 2.83Å; P1453-L1484 HydrophobicContact CB-CD2 4.09Å; P1453-L1484 HydrophobicContact CG-CD2 3.58Å; P1453-V1523 HydrophobicContact CB-CG1 3.71Å; P1453-V1523 HydrophobicContact CB-CG2 4.14Å; P1453-S1527 VanDerWaalsContact C-OG 3.28Å
1454H96.3Very high89.7Confident0 Ų019.9 Ų19.90%012%0.124CC..THydrogen-bonded Turntrans-60.8-24.6-169-69.1-69.7000115.3R1429 F1447 S1449 G1452 S1527 I1530R1429-H1454 WeakPolarHBondContact CD-ND1 3.5Å; R1429-H1454 PolarHBondContact NH1-ND1 3.09Å; R1429-H1454 PolarHBondContact NH1-O 3.38Å; F1447-H1454 AromaticContact CE1-CE1 3.72Å; F1447-H1454 AromaticContact CZ-CE1 3.88Å; S1449-H1454 PolarHBondContact OG-NE2 3.11Å; G1452-H1454 PolarHBondContact O-CD2 2.85Å; G1452-H1454 VanDerWaalsContact O-CD2 3.31Å; G1452-H1454 PolarHBondContact O-N 3.22Å; H1454-S1527 WeakPolarHBondContact CB-O 3.47Å; H1454-S1527 PolarHBondContact N-O 3.18Å; H1454-S1527 PolarHBondContact N-OG 3.3Å; H1454-I1530 HydrophobicContact CB-CD1 4.01Å; H1454-I1530 HydrophobicContact CB-CG1 3.65Å
1455L94.7Very high88.4Confident0 Ų020.5 Ų20.50%013%0.127CC..THydrogen-bonded Turntrans-116.825.1177.7-60.5162.4000110.4P1453 S1527 I1530 Y1547 M1550 V1551 L1554P1453-L1455 PolarHBondContact O-N 3.37Å; P1453-L1455 VanDerWaalsContact O-N 3.08Å; L1455-S1527 WeakPolarHBondContact CA-OG 3.42Å; L1455-S1527 PolarHBondContact N-OG 3.37Å; L1455-I1530 HydrophobicContact CD1-CG2 4.27Å; L1455-Y1547 HydrophobicContact CB-CE2 3.68Å; L1455-Y1547 VanDerWaalsContact CB-OH 3.26Å; L1455-Y1547 WeakPolarHBondContact CB-OH 3.42Å; L1455-Y1547 HydrophobicContact CD1-CE1 4.28Å; L1455-Y1547 VanDerWaalsContact CD1-OH 3.28Å; L1455-Y1547 WeakPolarHBondContact CD1-OH 3.31Å; L1455-Y1547 WeakPolarHBondContact O-CE2 3.35Å; L1455-M1550 HydrophobicContact CD2-CB 3.83Å; L1455-M1550 HydrophobicContact CD2-CE 4.28Å; L1455-V1551 HydrophobicContact CD1-CG2 3.49Å; L1455-V1551 VanDerWaalsContact CD1-CG2 3.49Å; L1455-V1551 HydrophobicContact CD2-CG2 3.89Å; L1455-V1551 HydrophobicContact CG-CG2 4.34Å; L1455-L1554 HydrophobicContact CD2-CD1 3.94Å
1456G92.5Very high87.1Confident0 Ų022.1 Ų22.10%014%0.137CC..THydrogen-bonded Turntrans72-163.1-178.400000114.1P1453 L1484 S1527P1453-G1456 WeakPolarHBondContact O-CA 3.45Å; P1453-G1456 PolarHBondContact O-N 2.83Å; G1456-L1484 CarbonylContact C-O 3.52Å; G1456-L1484 VanDerWaalsContact CA-O 3.24Å; G1456-L1484 WeakPolarHBondContact CA-O 3.42Å; G1456-S1527 PolarHBondContact N-OG 3.29Å; G1456-S1527 WeakPolarHBondContact O-CB 3.29Å; G1456-S1527 PolarHBondContact O-OG 2.96Å
1457T90.9Very high85.5Confident11 Ų1127.8 Ų27.87%0.06716%0.164CC..THydrogen-bonded Turntrans-107.713.8-17965.40000113.3L1484 R1485T1457-L1484 PolarHBondContact N-O 3.08Å; T1457-L1484 PolarHBondContact OG1-O 2.83Å; T1457-R1485 WeakPolarHBondContact OG1-CG 3.37Å
1458V87.5Confident84.3Confident18 Ų1829.6 Ų29.611%0.10918%0.183CC..THydrogen-bonded Turntrans-70156.7174.4-64.20000111.3N1460 M1486 P1524 L1543 Y1547V1458-N1460 PolarHBondContact O-N 3.36Å; V1458-N1460 VanDerWaalsContact O-N 3.11Å; V1458-M1486 HydrophobicContact CG2-SD 4.49Å; V1458-P1524 WeakPolarHBondContact O-CG 3.35Å; V1458-L1543 HydrophobicContact CG1-CD1 4.49Å; V1458-L1543 HydrophobicContact CG1-CD2 4.46Å; V1458-Y1547 HydrophobicContact CG2-CD2 3.59Å; V1458-Y1547 HydrophobicContact CG2-CE2 3.61Å
1459Y84.7Confident83Confident52 Ų5230.4 Ų30.420%0.20419%0.187CC..THydrogen-bonded Turntrans56.915.5-172.7-52.9-70.6000116.3S1461 A1535 A1536 D1539 L1543 G1544 Y1547Y1459-S1461 PolarHBondContact O-N 2.9Å; Y1459-A1535 HydrophobicContact CD1-CB 3.74Å; Y1459-A1535 HydrophobicContact CG-CB 4.1Å; Y1459-A1536 HydrophobicContact CD2-CB 4.07Å; Y1459-A1536 HydrophobicContact CE2-CB 3.71Å; Y1459-D1539 HydrophobicContact CE1-CB 4.12Å; Y1459-D1539 WeakPolarHBondContact CE1-OD2 3.16Å; Y1459-D1539 PolarHBondContact OH-OD2 3.49Å; Y1459-L1543 HydrophobicContact CE2-CG 4.39Å; Y1459-L1543 WeakPolarHBondContact OH-CG 3.41Å; Y1459-G1544 VanDerWaalsContact OH-CA 3.26Å; Y1459-G1544 WeakPolarHBondContact OH-CA 3.39Å; Y1459-G1544 PolarHBondContact OH-N 3.02Å; Y1459-G1544 VanDerWaalsContact OH-N 3.11Å; Y1459-Y1547 AromaticContact CD2-CD2 3.92Å; Y1459-Y1547 HydrophobicContact CD2-CD2 3.92Å; Y1459-Y1547 HydrophobicContact CD2-CE2 4.16Å; Y1459-Y1547 HydrophobicContact CD2-CG 4.16Å; Y1459-Y1547 AromaticContact CE2-CD2 3.83Å; Y1459-Y1547 HydrophobicContact CE2-CD2 3.83Å; Y1459-Y1547 AromaticContact CE2-CG 3.83Å; Y1459-Y1547 HydrophobicContact CE2-CG 3.83Å
1460N80.2Confident81.8Confident12 Ų1236 Ų366%0.06421%0.208CC..  trans-57.4125.7171.7-172.1-31.2000111V1458 S1462 N1466 R1521 P1524V1458-N1460 PolarHBondContact O-N 3.36Å; V1458-N1460 VanDerWaalsContact O-N 3.11Å; N1460-S1462 PolarHBondContact O-N 3.5Å; N1460-S1462 WeakPolarHBondContact OD1-CB 3.41Å; N1460-S1462 PolarHBondContact OD1-N 2.89Å; N1460-N1466 WeakPolarHBondContact CB-OD1 3.27Å; N1460-N1466 PolarHBondContact O-ND2 3.2Å; N1460-R1521 PolarHBondContact ND2-O 2.96Å; N1460-R1521 PolarHBondContact OD1-O 3.27Å; N1460-P1524 HydrophobicContact CB-CG 4Å
1461S70.1Confident80.4Confident104 Ų10437.8 Ų37.873%0.72722%0.219SC*.SBendtrans-65.9-13.3-178.361.80000115.1Y1459Y1459-S1461 PolarHBondContact O-N 2.9Å
1462S74.6Confident79.2Confident10 Ų1040.8 Ų40.87%0.0723%0.234CC..  trans-10792.6-169.9-62.20000112.1N1460 L1464 I1465 N1466 R1521N1460-S1462 PolarHBondContact O-N 3.5Å; N1460-S1462 WeakPolarHBondContact OD1-CB 3.41Å; N1460-S1462 PolarHBondContact OD1-N 2.89Å; S1462-L1464 VanDerWaalsContact C-N 3.29Å; S1462-L1464 PolarHBondContact O-N 3.25Å; S1462-I1465 WeakPolarHBondContact O-CA 3.47Å; S1462-I1465 WeakPolarHBondContact O-CB 3.13Å; S1462-I1465 PolarHBondContact O-N 2.87Å; S1462-N1466 PolarHBondContact O-N 3.46Å; S1462-R1521 WeakPolarHBondContact OG-CD 3.15Å; S1462-R1521 PolarHBondContact OG-NH1 3Å
1463G69Low78.1Confident52 Ų5241.9 Ų41.954%0.53624%0.239SC..Hα-helixtrans-51.6-40.5-179.600000114.7I1465 N1466 M1467G1463-I1465 PolarHBondContact O-N 2.98Å; G1463-N1466 PolarHBondContact O-N 3.22Å; G1463-M1467 WeakPolarHBondContact O-CB 3.19Å; G1463-M1467 PolarHBondContact O-N 3.07Å
1464L69Low77Confident140 Ų14048.6 Ų48.673%0.73327%0.268SS*.Hα-helixtrans-59.7-31.9175-69.3173.5000113.2S1462 G1468S1462-L1464 VanDerWaalsContact C-N 3.29Å; S1462-L1464 PolarHBondContact O-N 3.25Å; L1464-G1468 PolarHBondContact O-N 3.32Å
1465I70.6Confident75.7Confident12 Ų1252.5 Ų52.56%0.06229%0.288CS..Hα-helixtrans-84.3-37.7180-60.1173000109.8S1462 G1463 M1467 G1468 I1469 R1521 Y1522 I1583S1462-I1465 WeakPolarHBondContact O-CA 3.47Å; S1462-I1465 WeakPolarHBondContact O-CB 3.13Å; S1462-I1465 PolarHBondContact O-N 2.87Å; G1463-I1465 PolarHBondContact O-N 2.98Å; I1465-M1467 PolarHBondContact O-N 2.95Å; I1465-G1468 PolarHBondContact O-N 2.77Å; I1465-G1468 VanDerWaalsContact O-N 3.16Å; I1465-I1469 HydrophobicContact CG2-CD1 3.84Å; I1465-I1469 HydrophobicContact CG2-CG1 4.21Å; I1465-I1469 WeakPolarHBondContact O-CB 3.36Å; I1465-I1469 VanDerWaalsContact O-CG1 3.3Å; I1465-I1469 WeakPolarHBondContact O-CG1 3.43Å; I1465-I1469 PolarHBondContact O-N 3.1Å; I1465-R1521 HydrophobicContact CD1-CB 3.45Å; I1465-R1521 VanDerWaalsContact CD1-CB 3.45Å; I1465-R1521 WeakPolarHBondContact CD1-O 3.35Å; I1465-Y1522 HydrophobicContact CD1-CD1 4.23Å; I1465-I1583 HydrophobicContact CD1-CG2 3.75Å; I1465-I1583 WeakPolarHBondContact CD1-O 3.31Å; I1465-I1583 HydrophobicContact CG1-CG2 3.71Å
1466N69.4Low74.8Confident47 Ų4757.3 Ų57.325%0.25131%0.309SS..Hα-helixtrans-57.9-35.8168.7-71.7-37.9000112.4N1460 S1462 G1463 W1470 R1485N1460-N1466 WeakPolarHBondContact CB-OD1 3.27Å; N1460-N1466 PolarHBondContact O-ND2 3.2Å; S1462-N1466 PolarHBondContact O-N 3.46Å; G1463-N1466 PolarHBondContact O-N 3.22Å; N1466-W1470 WeakPolarHBondContact O-CB 3.4Å; N1466-W1470 PolarHBondContact O-N 3.4Å; N1466-R1485 PolarHBondContact O-NH2 2.85Å
1467M64.4Low74.1Confident118 Ų11866.4 Ų66.458%0.58135%0.348SS*.Hα-helixtrans-71.5-48.4171-173.1-174.6-174.100111.7G1463 I1465 I1469 W1470 V1471G1463-M1467 WeakPolarHBondContact O-CB 3.19Å; G1463-M1467 PolarHBondContact O-N 3.07Å; I1465-M1467 PolarHBondContact O-N 2.95Å; M1467-I1469 PolarHBondContact O-N 3.04Å; M1467-W1470 WeakPolarHBondContact O-CA 3.44Å; M1467-W1470 WeakPolarHBondContact O-CB 3.4Å; M1467-W1470 PolarHBondContact O-N 3.38Å; M1467-V1471 WeakPolarHBondContact O-CG2 3.38Å; M1467-V1471 PolarHBondContact O-N 3.39Å
1468G73.4Confident73.8Confident38 Ų3866.1 Ų66.139%0.39235%0.346SS..Hα-helixtrans-58.5-44178.600000113.4L1464 I1465 W1470 V1471 M1472L1464-G1468 PolarHBondContact O-N 3.32Å; I1465-G1468 PolarHBondContact O-N 2.77Å; I1465-G1468 VanDerWaalsContact O-N 3.16Å; G1468-W1470 VanDerWaalsContact C-N 3.34Å; G1468-V1471 PolarHBondContact O-N 2.99Å; G1468-M1472 WeakPolarHBondContact O-CB 3.45Å; G1468-M1472 PolarHBondContact O-N 3.41Å
1469I72.2Confident74Confident19 Ų1969.8 Ų69.810%0.09736%0.362CS..Hα-helixtrans-64.5-38.3173.8-64.8169.6000110.6I1465 M1467 M1472 Q1473 L1481I1465-I1469 HydrophobicContact CG2-CD1 3.84Å; I1465-I1469 HydrophobicContact CG2-CG1 4.21Å; I1465-I1469 WeakPolarHBondContact O-CB 3.36Å; I1465-I1469 VanDerWaalsContact O-CG1 3.3Å; I1465-I1469 WeakPolarHBondContact O-CG1 3.43Å; I1465-I1469 PolarHBondContact O-N 3.1Å; M1467-I1469 PolarHBondContact O-N 3.04Å; I1469-M1472 PolarHBondContact O-N 3.42Å; I1469-Q1473 WeakPolarHBondContact O-CB 3.44Å; I1469-Q1473 PolarHBondContact O-N 2.95Å; I1469-L1481 HydrophobicContact CG2-CD2 4.16Å
1470W72.2Confident74.4Confident119 Ų11967.3 Ų67.345%0.45135%0.353SS..Hα-helixtrans-64.7-43.6174.618087.4000112.8N1466 M1467 G1468 Q1473 K1474 R1485N1466-W1470 WeakPolarHBondContact O-CB 3.4Å; N1466-W1470 PolarHBondContact O-N 3.4Å; M1467-W1470 WeakPolarHBondContact O-CA 3.44Å; M1467-W1470 WeakPolarHBondContact O-CB 3.4Å; M1467-W1470 PolarHBondContact O-N 3.38Å; G1468-W1470 VanDerWaalsContact C-N 3.34Å; W1470-Q1473 PolarHBondContact O-N 3.02Å; W1470-K1474 HydrophobicContact CD2-CG 4.39Å; W1470-K1474 HydrophobicContact CZ2-CG 4.22Å; W1470-K1474 WeakPolarHBondContact O-CB 3.45Å; W1470-K1474 WeakPolarHBondContact O-CG 3.48Å; W1470-K1474 PolarHBondContact O-N 3.41Å; W1470-R1485 VanDerWaalsContact CB-NH1 3.31Å
1471V67.4Low74.8Confident38 Ų3867 Ų6723%0.2335%0.351CS..Hα-helixtrans-60.6-46.9174.3170.10000110.1M1467 G1468 K1474 I1475M1467-V1471 WeakPolarHBondContact O-CG2 3.38Å; M1467-V1471 PolarHBondContact O-N 3.39Å; G1468-V1471 PolarHBondContact O-N 2.99Å; V1471-K1474 PolarHBondContact O-N 2.85Å; V1471-I1475 HydrophobicContact CG1-CD1 3.5Å; V1471-I1475 VanDerWaalsContact CG1-CD1 3.5Å; V1471-I1475 HydrophobicContact CG1-CG1 4.37Å; V1471-I1475 WeakPolarHBondContact O-CB 3.49Å; V1471-I1475 VanDerWaalsContact O-CG1 3.28Å; V1471-I1475 WeakPolarHBondContact O-CG1 3.17Å; V1471-I1475 PolarHBondContact O-N 2.89Å
1472M71.6Confident75.8Confident64 Ų6463.1 Ų63.132%0.31532%0.324SS..Hα-helixtrans-63.3-46.7178.1-175161.458.600112.4L1352 G1468 I1469 K1474 I1475 K1476 L1481L1352-M1472 HydrophobicContact CD2-CE 3.92Å; G1468-M1472 WeakPolarHBondContact O-CB 3.45Å; G1468-M1472 PolarHBondContact O-N 3.41Å; I1469-M1472 PolarHBondContact O-N 3.42Å; M1472-K1474 VanDerWaalsContact C-N 3.31Å; M1472-K1474 PolarHBondContact O-N 3.08Å; M1472-I1475 PolarHBondContact O-N 2.85Å; M1472-K1476 HydrophobicContact CG-CG 4.23Å; M1472-K1476 WeakPolarHBondContact O-CB 3.3Å; M1472-K1476 PolarHBondContact O-N 3.45Å; M1472-L1481 HydrophobicContact CB-CD1 4.22Å; M1472-L1481 HydrophobicContact CE-CD1 3.81Å; M1472-L1481 HydrophobicContact CE-CD2 4.44Å; M1472-L1481 HydrophobicContact CG-CD1 3.75Å; M1472-L1481 HydrophobicContact SD-CD1 4.37Å
1473Q72.9Confident76.7Confident23 Ų2363.1 Ų63.111%0.10732%0.323CS..Hα-helixtrans-56.2-43.5175.5-174.7-171.84.200111.4I1469 W1470 K1477 S1478 L1481 S1482I1469-Q1473 WeakPolarHBondContact O-CB 3.44Å; I1469-Q1473 PolarHBondContact O-N 2.95Å; W1470-Q1473 PolarHBondContact O-N 3.02Å; Q1473-K1477 VanDerWaalsContact O-CA 3.29Å; Q1473-K1477 WeakPolarHBondContact O-CA 3.19Å; Q1473-K1477 PolarHBondContact O-N 2.83Å; Q1473-K1477 VanDerWaalsContact O-N 3.1Å; Q1473-S1478 PolarHBondContact O-N 3.49Å; Q1473-L1481 HydrophobicContact CB-CB 4.11Å; Q1473-L1481 HydrophobicContact CB-CD1 4.38Å; Q1473-L1481 HydrophobicContact CG-CB 4.1Å; Q1473-S1482 PolarHBondContact NE2-OG 3.34Å
1474K72.6Confident77.8Confident143 Ų14361.1 Ų61.162%0.62230%0.3SS*.Hα-helixtrans-73.2-36.6177.9-72.9-65.7-174.2-176.50113.8W1470 V1471 M1472W1470-K1474 HydrophobicContact CD2-CG 4.39Å; W1470-K1474 HydrophobicContact CZ2-CG 4.22Å; W1470-K1474 WeakPolarHBondContact O-CB 3.45Å; W1470-K1474 WeakPolarHBondContact O-CG 3.48Å; W1470-K1474 PolarHBondContact O-N 3.41Å; V1471-K1474 PolarHBondContact O-N 2.85Å; M1472-K1474 VanDerWaalsContact C-N 3.31Å; M1472-K1474 PolarHBondContact O-N 3.08Å
1475I69.8Low78.8Confident82 Ų8255.6 Ų55.642%0.42127%0.269SS..Hα-helixtrans-74.3-47.1179.3-72171.5000111.7L716 V1471 M1472L716-I1475 HydrophobicContact CB-CD1 3.8Å; L716-I1475 HydrophobicContact CD1-CD1 4.17Å; L716-I1475 HydrophobicContact CD1-CG2 3.73Å; V1471-I1475 HydrophobicContact CG1-CD1 3.5Å; V1471-I1475 VanDerWaalsContact CG1-CD1 3.5Å; V1471-I1475 HydrophobicContact CG1-CG1 4.37Å; V1471-I1475 WeakPolarHBondContact O-CB 3.49Å; V1471-I1475 VanDerWaalsContact O-CG1 3.28Å; V1471-I1475 WeakPolarHBondContact O-CG1 3.17Å; V1471-I1475 PolarHBondContact O-N 2.89Å; M1472-I1475 PolarHBondContact O-N 2.85Å
1476K77.1Confident79.8Confident101 Ų10155.4 Ų55.444%0.43927%0.268SS..Hα-helixtrans-83.8-8.3-177.3-68.8-86.7-167.61450113.4D1353 F1388 M1472 S1478D1353-K1476 IonicContact OD1-NZ 3.8Å; F1388-K1476 HydrophobicContact CD1-CB 3.93Å; F1388-K1476 HydrophobicContact CD1-CD 4.27Å; F1388-K1476 HydrophobicContact CD1-CG 4.13Å; F1388-K1476 HydrophobicContact CD2-CD 4.18Å; F1388-K1476 HydrophobicContact CE1-CB 4.19Å; F1388-K1476 HydrophobicContact CE1-CD 3.97Å; F1388-K1476 HydrophobicContact CE1-CG 3.87Å; F1388-K1476 HydrophobicContact CE2-CD 3.92Å; F1388-K1476 HydrophobicContact CG-CB 4.33Å; F1388-K1476 HydrophobicContact CG-CD 4.37Å; F1388-K1476 HydrophobicContact CZ-CD 3.8Å; F1388-K1476 HydrophobicContact CZ-CG 4.2Å; M1472-K1476 HydrophobicContact CG-CG 4.23Å; M1472-K1476 WeakPolarHBondContact O-CB 3.3Å; M1472-K1476 PolarHBondContact O-N 3.45Å; K1476-S1478 PolarHBondContact O-N 3.35Å
1477K76Confident80.9Confident192 Ų19260.2 Ų60.284%0.83528%0.283SS*.THydrogen-bonded Turntrans51.834.7-169.6-59.9-175.9177.7-1780113.3Q1473 E1479Q1473-K1477 VanDerWaalsContact O-CA 3.29Å; Q1473-K1477 WeakPolarHBondContact O-CA 3.19Å; Q1473-K1477 PolarHBondContact O-N 2.83Å; Q1473-K1477 VanDerWaalsContact O-N 3.1Å; K1477-E1479 PolarHBondContact O-N 3.47Å
1478S85.7Confident82.2Confident4 Ų457 Ų573%0.02827%0.268CS..  trans-72127.7-169.3172.40000112.8F1388 Q1473 K1476 S1480 L1481 S1482F1388-S1478 CarbonylContact O-C 3.5Å; F1388-S1478 WeakPolarHBondContact O-CA 3.32Å; F1388-S1478 PolarHBondContact O-OG 3.18Å; F1388-S1478 VanDerWaalsContact O-OG 3.09Å; Q1473-S1478 PolarHBondContact O-N 3.49Å; K1476-S1478 PolarHBondContact O-N 3.35Å; S1478-S1480 PolarHBondContact OG-OG 3.27Å; S1478-S1480 VanDerWaalsContact OG-OG 3.06Å; S1478-L1481 WeakPolarHBondContact OG-CB 3.45Å; S1478-L1481 WeakPolarHBondContact OG-CG 3.32Å; S1478-L1481 PolarHBondContact OG-N 2.84Å; S1478-L1481 VanDerWaalsContact OG-N 3.1Å; S1478-S1482 PolarHBondContact O-N 2.81Å
1479E91.4Very high83.2Confident95 Ų9557.8 Ų57.844%0.44426%0.263SS..SBendtrans-78.9-45.3175.5-165.9-166.7143.100110.6F1388 G1390 K1477 L1481 S1482 Q1483F1388-E1479 PolarHBondContact O-N 2.87Å; G1390-E1479 WeakPolarHBondContact CA-OE1 3.28Å; G1390-E1479 WeakPolarHBondContact CA-OE2 3.46Å; G1390-E1479 PolarHBondContact N-OE2 2.88Å; G1390-E1479 VanDerWaalsContact N-OE2 3.13Å; K1477-E1479 PolarHBondContact O-N 3.47Å; E1479-L1481 VanDerWaalsContact C-N 3.27Å; E1479-L1481 PolarHBondContact O-N 3.08Å; E1479-S1482 CarbonylContact O-C 3.53Å; E1479-S1482 WeakPolarHBondContact O-CA 3.48Å; E1479-S1482 VanDerWaalsContact O-CB 3.29Å; E1479-S1482 WeakPolarHBondContact O-CB 3.48Å; E1479-S1482 PolarHBondContact O-N 3.07Å; E1479-Q1483 WeakPolarHBondContact O-CG 3.17Å; E1479-Q1483 PolarHBondContact O-N 3.43Å; E1479-Q1483 PolarHBondContact OE1-NE2 3.36Å
1480S92.5Very high84.1Confident0 Ų063.3 Ų63.30%030%0.3CS..Hα-helixtrans-55.1-40.2174.456.60000112.3T1387 F1388 G1389 S1478 S1482 Q1483 L1484T1387-S1480 PolarHBondContact O-OG 3.25Å; F1388-S1480 PolarHBondContact O-N 2.83Å; F1388-S1480 PolarHBondContact O-OG 3.39Å; G1389-S1480 VanDerWaalsContact O-CB 3.31Å; G1389-S1480 WeakPolarHBondContact O-CB 3.48Å; G1389-S1480 PolarHBondContact O-N 3.46Å; S1478-S1480 PolarHBondContact OG-OG 3.27Å; S1478-S1480 VanDerWaalsContact OG-OG 3.06Å; S1480-S1482 VanDerWaalsContact C-N 3.32Å; S1480-S1482 PolarHBondContact O-N 2.91Å; S1480-Q1483 PolarHBondContact O-N 2.87Å; S1480-L1484 VanDerWaalsContact O-CB 3.29Å; S1480-L1484 WeakPolarHBondContact O-CB 3.28Å; S1480-L1484 VanDerWaalsContact O-CG 3.25Å; S1480-L1484 WeakPolarHBondContact O-CG 3.2Å; S1480-L1484 PolarHBondContact O-N 2.83Å
1481L89.1Confident85.1Confident7 Ų761 Ų614%0.03730%0.297CS..Hα-helixtrans-72.7-17.5172.7-69.3178.9000114.5L1352 I1469 M1472 Q1473 S1478 E1479 L1484 R1485L1352-L1481 HydrophobicContact CD2-CD1 4.35Å; L1352-L1481 HydrophobicContact CD2-CD2 3.7Å; L1352-L1481 HydrophobicContact CD2-CG 4.22Å; I1469-L1481 HydrophobicContact CG2-CD2 4.16Å; M1472-L1481 HydrophobicContact CB-CD1 4.22Å; M1472-L1481 HydrophobicContact CE-CD1 3.81Å; M1472-L1481 HydrophobicContact CE-CD2 4.44Å; M1472-L1481 HydrophobicContact CG-CD1 3.75Å; M1472-L1481 HydrophobicContact SD-CD1 4.37Å; Q1473-L1481 HydrophobicContact CB-CB 4.11Å; Q1473-L1481 HydrophobicContact CB-CD1 4.38Å; Q1473-L1481 HydrophobicContact CG-CB 4.1Å; S1478-L1481 WeakPolarHBondContact OG-CB 3.45Å; S1478-L1481 WeakPolarHBondContact OG-CG 3.32Å; S1478-L1481 PolarHBondContact OG-N 2.84Å; S1478-L1481 VanDerWaalsContact OG-N 3.1Å; E1479-L1481 VanDerWaalsContact C-N 3.27Å; E1479-L1481 PolarHBondContact O-N 3.08Å; L1481-L1484 HydrophobicContact CD2-CD1 4.39Å; L1481-R1485 VanDerWaalsContact O-CD 3.25Å; L1481-R1485 WeakPolarHBondContact O-CD 3.3Å; L1481-R1485 WeakPolarHBondContact O-CG 3.45Å
1482S90.8Very high86.3Confident22 Ų2260.8 Ų60.815%0.15429%0.294CS..Hα-helixtrans-79.3-46.1169.6-131.50000110.6Q1473 S1478 E1479 S1480 R1485 M1486 R1487Q1473-S1482 PolarHBondContact NE2-OG 3.34Å; S1478-S1482 PolarHBondContact O-N 2.81Å; E1479-S1482 CarbonylContact O-C 3.53Å; E1479-S1482 WeakPolarHBondContact O-CA 3.48Å; E1479-S1482 VanDerWaalsContact O-CB 3.29Å; E1479-S1482 WeakPolarHBondContact O-CB 3.48Å; E1479-S1482 PolarHBondContact O-N 3.07Å; S1480-S1482 VanDerWaalsContact C-N 3.32Å; S1480-S1482 PolarHBondContact O-N 2.91Å; S1482-R1485 CarbonylContact O-C 3.59Å; S1482-R1485 PolarHBondContact O-N 3.37Å; S1482-M1486 PolarHBondContact O-N 2.87Å; S1482-M1486 VanDerWaalsContact O-N 3.12Å; S1482-R1487 PolarHBondContact O-N 2.84Å; S1482-R1487 PolarHBondContact OG-O 2.89Å
1483Q94.3Very high87.5Confident9 Ų962.1 Ų62.14%0.04230%0.296CS..Hα-helixtrans-62-45.3177.3-69.8164.8-20.200111.2F1391 E1479 S1480 R1485 M1486 D1488 Y1496 L1497F1391-Q1483 HydrophobicContact CD2-CB 3.75Å; F1391-Q1483 HydrophobicContact CD2-CG 4.42Å; F1391-Q1483 HydrophobicContact CE2-CB 3.8Å; F1391-Q1483 VanDerWaalsContact N-OE1 3.11Å; E1479-Q1483 WeakPolarHBondContact O-CG 3.17Å; E1479-Q1483 PolarHBondContact O-N 3.43Å; E1479-Q1483 PolarHBondContact OE1-NE2 3.36Å; S1480-Q1483 PolarHBondContact O-N 2.87Å; Q1483-R1485 PolarHBondContact O-N 3.38Å; Q1483-M1486 PolarHBondContact O-N 3.25Å; Q1483-M1486 VanDerWaalsContact O-N 3.14Å; Q1483-D1488 HydrophobicContact CG-CB 3.75Å; Q1483-Y1496 HydrophobicContact CB-CG 4.43Å; Q1483-Y1496 HydrophobicContact CG-CG 4.23Å; Q1483-L1497 WeakPolarHBondContact O-CD1 3.29Å; Q1483-L1497 WeakPolarHBondContact O-CG 3.24Å
1484L92.2Very high88.5Confident11 Ų1164.5 Ų64.56%0.05831%0.309CS..THydrogen-bonded Turntrans-61.7-14.5173.5-76.3175.4000114.6F1391 M1423 I1426 P1453 G1456 T1457 S1480 L1481F1391-L1484 HydrophobicContact CE2-CD2 4.23Å; F1391-L1484 HydrophobicContact CE2-CG 3.94Å; F1391-L1484 HydrophobicContact CZ-CD1 4.2Å; F1391-L1484 HydrophobicContact CZ-CD2 3.93Å; F1391-L1484 HydrophobicContact CZ-CG 3.77Å; M1423-L1484 HydrophobicContact CG-CD1 4.2Å; M1423-L1484 HydrophobicContact SD-CD1 4.44Å; I1426-L1484 HydrophobicContact CG1-CD2 4.09Å; P1453-L1484 HydrophobicContact CB-CD2 4.09Å; P1453-L1484 HydrophobicContact CG-CD2 3.58Å; G1456-L1484 CarbonylContact C-O 3.52Å; G1456-L1484 VanDerWaalsContact CA-O 3.24Å; G1456-L1484 WeakPolarHBondContact CA-O 3.42Å; T1457-L1484 PolarHBondContact N-O 3.08Å; T1457-L1484 PolarHBondContact OG1-O 2.83Å; S1480-L1484 VanDerWaalsContact O-CB 3.29Å; S1480-L1484 WeakPolarHBondContact O-CB 3.28Å; S1480-L1484 VanDerWaalsContact O-CG 3.25Å; S1480-L1484 WeakPolarHBondContact O-CG 3.2Å; S1480-L1484 PolarHBondContact O-N 2.83Å; L1481-L1484 HydrophobicContact CD2-CD1 4.39Å
1485R89.9Confident89.7Confident24 Ų2457.7 Ų57.79%0.09128%0.279CS..THydrogen-bonded Turntrans-110.3-1179.5-66.2-177.688.2171.820113.8T1457 N1466 W1470 L1481 S1482 Q1483 R1487T1457-R1485 WeakPolarHBondContact OG1-CG 3.37Å; N1466-R1485 PolarHBondContact O-NH2 2.85Å; W1470-R1485 VanDerWaalsContact CB-NH1 3.31Å; L1481-R1485 VanDerWaalsContact O-CD 3.25Å; L1481-R1485 WeakPolarHBondContact O-CD 3.3Å; L1481-R1485 WeakPolarHBondContact O-CG 3.45Å; S1482-R1485 CarbonylContact O-C 3.59Å; S1482-R1485 PolarHBondContact O-N 3.37Å; Q1483-R1485 PolarHBondContact O-N 3.38Å; R1485-R1487 HydrophobicContact CB-CB 4.4Å; R1485-R1487 HydrophobicContact CB-CG 4.1Å
1486M91.6Very high90.9Very high7 Ų754.3 Ų54.33%0.03426%0.261CS..THydrogen-bonded Turntrans54.153.5-171.5-60.2159.663.300110.8V1458 S1482 Q1483 L1492 T1495 L1497 L1543 I1546 M1550V1458-M1486 HydrophobicContact CG2-SD 4.49Å; S1482-M1486 PolarHBondContact O-N 2.87Å; S1482-M1486 VanDerWaalsContact O-N 3.12Å; Q1483-M1486 PolarHBondContact O-N 3.25Å; Q1483-M1486 VanDerWaalsContact O-N 3.14Å; M1486-L1492 HydrophobicContact CB-CD2 4.4Å; M1486-T1495 HydrophobicContact CB-CG2 3.99Å; M1486-L1497 HydrophobicContact CG-CB 4.26Å; M1486-L1543 HydrophobicContact CE-CD1 3.97Å; M1486-L1543 HydrophobicContact SD-CD1 4.5Å; M1486-I1546 HydrophobicContact CE-CB 4.5Å; M1486-I1546 HydrophobicContact CE-CG2 3.47Å; M1486-I1546 VanDerWaalsContact CE-CG2 3.47Å; M1486-M1550 HydrophobicContact CE-SD 3.64Å; M1486-M1550 HydrophobicContact SD-CE 4.14Å; M1486-M1550 HydrophobicContact SD-SD 3.76Å
1487R91.2Very high91.8Very high148 Ų14849.5 Ų49.556%0.55824%0.241SC*.  trans-13419.5-179.2-67.8-176.4177.6-154.2-5.3112.4S1482 R1485S1482-R1487 PolarHBondContact O-N 2.84Å; S1482-R1487 PolarHBondContact OG-O 2.89Å; R1485-R1487 HydrophobicContact CB-CB 4.4Å; R1485-R1487 HydrophobicContact CB-CG 4.1Å
1488D92.3Very high92.8Very high52 Ų5242.1 Ų42.128%0.27821%0.208SC..SBendtrans-89.3-26.7175.951.7-56.7000112.2Q1483 T1495 Y1496Q1483-D1488 HydrophobicContact CG-CB 3.75Å; D1488-T1495 WeakPolarHBondContact OD1-CB 3.36Å; D1488-T1495 WeakPolarHBondContact OD2-CA 3.13Å; D1488-Y1496 WeakPolarHBondContact OD2-CB 2.97Å; D1488-Y1496 PolarHBondContact OD2-N 2.9Å
1489D93.4Very high93.3Very high54 Ų5447.8 Ų47.829%0.28923%0.228SC..SBendtrans-131.8146.1173.7-162.4-74.5000110.3D1491 N1494 T1495D1489-D1491 PolarHBondContact OD1-N 2.87Å; D1489-N1494 HydrophobicContact CB-CB 4.01Å; D1489-N1494 WeakPolarHBondContact OD1-CB 3.07Å; D1489-N1494 WeakPolarHBondContact OD2-CB 3.28Å; D1489-T1495 HydrophobicContact CB-CG2 4.09Å
1490P91.5Very high93.5Very high135 Ų13543.6 Ų43.688%0.87721%0.209SC*.SBendtrans-66.5-28.217226.9-36.6000114.6
1491D93.7Very high93.7Very high69 Ų6943.6 Ų43.637%0.36921%0.209SC..SBendtrans-90.8119169.6179.22000109.8D1489 R1493 N1494 T1495D1489-D1491 PolarHBondContact OD1-N 2.87Å; D1491-R1493 PolarHBondContact O-N 2.94Å; D1491-R1493 VanDerWaalsContact O-N 3.1Å; D1491-R1493 PolarHBondContact OD1-N 3.49Å; D1491-N1494 HydrophobicContact CB-CB 4.35Å; D1491-N1494 PolarHBondContact O-N 3.09Å; D1491-N1494 PolarHBondContact OD2-ND2 2.9Å; D1491-T1495 PolarHBondContact O-N 2.71Å
1492L93.2Very high94Very high34 Ų3446.4 Ų46.418%0.17823%0.227CC..THydrogen-bonded Turntrans-57.9-25.5179.8-61.1178.9000113.2M1486 T1495 Y1498 T1542 L1543 I1546M1486-L1492 HydrophobicContact CB-CD2 4.4Å; L1492-T1495 HydrophobicContact CD2-CG2 4.48Å; L1492-T1495 PolarHBondContact O-OG1 2.89Å; L1492-Y1498 WeakPolarHBondContact O-CB 3.12Å; L1492-T1542 HydrophobicContact CD1-CG2 4.18Å; L1492-L1543 HydrophobicContact CD1-CB 4.11Å; L1492-L1543 HydrophobicContact CD1-CD1 3.98Å; L1492-L1543 HydrophobicContact CD2-CD1 4.34Å; L1492-I1546 HydrophobicContact CB-CB 4.41Å; L1492-I1546 HydrophobicContact CB-CD1 3.99Å; L1492-I1546 HydrophobicContact CB-CG1 3.82Å; L1492-I1546 HydrophobicContact CB-CG2 4.15Å; L1492-I1546 HydrophobicContact CD1-CG1 4.14Å
1493R95.3Very high94Very high92 Ų9246.7 Ų46.735%0.34723%0.229SC..THydrogen-bonded Turntrans-79.7-16.6174.5-65.3-16217989-2.7114.4D1491 Y1498 I1546 E1549D1491-R1493 PolarHBondContact O-N 2.94Å; D1491-R1493 VanDerWaalsContact O-N 3.1Å; D1491-R1493 PolarHBondContact OD1-N 3.49Å; R1493-Y1498 HydrophobicContact CB-CD1 4Å; R1493-Y1498 HydrophobicContact CB-CE1 3.84Å; R1493-Y1498 HydrophobicContact CB-CG 4.49Å; R1493-Y1498 HydrophobicContact CG-CD1 4.34Å; R1493-Y1498 HydrophobicContact CG-CD2 4.44Å; R1493-Y1498 HydrophobicContact CG-CE1 3.94Å; R1493-Y1498 HydrophobicContact CG-CE2 4.05Å; R1493-Y1498 WeakPolarHBondContact O-CD1 3.47Å; R1493-I1546 HydrophobicContact CB-CD1 4.47Å; R1493-I1546 HydrophobicContact CG-CD1 3.22Å; R1493-E1549 IonicContact CZ-OE1 3.68Å; R1493-E1549 IonicContact CZ-OE2 3.38Å; R1493-E1549 IonicContact NE-OE1 3.84Å; R1493-E1549 IonicContact NE-OE2 2.87Å; R1493-E1549 PolarHBondContact NE-OE2 3.35Å; R1493-E1549 VanDerWaalsContact NH2-CD 3.3Å; R1493-E1549 IonicContact NH2-OE1 2.71Å; R1493-E1549 PolarHBondContact NH2-OE1 3.17Å; R1493-E1549 IonicContact NH2-OE2 3.09Å; R1493-E1549 PolarHBondContact NH2-OE2 3.11Å; R1493-E1549 VanDerWaalsContact NH2-OE2 3.09Å
1494N95.4Very high93.8Very high73 Ų7350 Ų5039%0.3925%0.251SS..THydrogen-bonded Turntrans-92.1-13.5173.2-64.9-31.9000112.3D1489 D1491 R1499D1489-N1494 HydrophobicContact CB-CB 4.01Å; D1489-N1494 WeakPolarHBondContact OD1-CB 3.07Å; D1489-N1494 WeakPolarHBondContact OD2-CB 3.28Å; D1491-N1494 HydrophobicContact CB-CB 4.35Å; D1491-N1494 PolarHBondContact O-N 3.09Å; D1491-N1494 PolarHBondContact OD2-ND2 2.9Å; N1494-R1499 PolarHBondContact O-NE 3.23Å; N1494-R1499 PolarHBondContact O-NH2 3.34Å
1495T96.3Very high93.7Very high0 Ų049.7 Ų49.70%025%0.25CS..SBendtrans-58.1146.4174.767.80000112.6M1486 D1488 D1489 D1491 L1492 L1497 Y1498 R1499M1486-T1495 HydrophobicContact CB-CG2 3.99Å; D1488-T1495 WeakPolarHBondContact OD1-CB 3.36Å; D1488-T1495 WeakPolarHBondContact OD2-CA 3.13Å; D1489-T1495 HydrophobicContact CB-CG2 4.09Å; D1491-T1495 PolarHBondContact O-N 2.71Å; L1492-T1495 HydrophobicContact CD2-CG2 4.48Å; L1492-T1495 PolarHBondContact O-OG1 2.89Å; T1495-L1497 VanDerWaalsContact C-N 3.35Å; T1495-L1497 PolarHBondContact O-N 3.29Å; T1495-Y1498 PolarHBondContact O-N 3.14Å; T1495-Y1498 VanDerWaalsContact O-N 3.13Å; T1495-R1499 PolarHBondContact O-N 2.91Å; T1495-R1499 VanDerWaalsContact O-N 3.11Å
1496Y96.4Very high93.9Very high11 Ų1149 Ų494%0.04325%0.248CC..Hα-helixtrans-57.1-44.9-172.6-167.1-95.1000112.9F1391 D1392 A1430 Q1483 D1488 Y1498 R1499 L1500F1391-Y1496 HydrophobicContact CB-CD1 4.03Å; F1391-Y1496 HydrophobicContact CB-CE1 3.31Å; F1391-Y1496 HydrophobicContact CB-CE2 4.33Å; F1391-Y1496 VanDerWaalsContact CB-CZ 3.5Å; F1391-Y1496 AromaticContact CD2-CD1 3.79Å; F1391-Y1496 HydrophobicContact CD2-CD1 3.79Å; F1391-Y1496 AromaticContact CD2-CE1 3.88Å; F1391-Y1496 HydrophobicContact CD2-CE1 3.88Å; F1391-Y1496 HydrophobicContact CG-CD1 4.24Å; F1391-Y1496 AromaticContact CG-CE1 3.84Å; F1391-Y1496 HydrophobicContact CG-CE1 3.84Å; D1392-Y1496 WeakPolarHBondContact OD1-CE2 3.33Å; D1392-Y1496 VanDerWaalsContact OD1-CZ 3.31Å; D1392-Y1496 PolarHBondContact OD1-OH 3.24Å; D1392-Y1496 WeakPolarHBondContact OD2-CE2 3.36Å; A1430-Y1496 WeakPolarHBondContact CB-OH 3.25Å; Q1483-Y1496 HydrophobicContact CB-CG 4.43Å; Q1483-Y1496 HydrophobicContact CG-CG 4.23Å; D1488-Y1496 WeakPolarHBondContact OD2-CB 2.97Å; D1488-Y1496 PolarHBondContact OD2-N 2.9Å; Y1496-Y1498 VanDerWaalsContact C-N 3.35Å; Y1496-Y1498 PolarHBondContact O-N 3.08Å; Y1496-R1499 PolarHBondContact O-N 3.26Å; Y1496-L1500 HydrophobicContact CE1-CD2 4.05Å; Y1496-L1500 VanDerWaalsContact O-CB 3.28Å; Y1496-L1500 WeakPolarHBondContact O-CB 3.21Å; Y1496-L1500 PolarHBondContact O-N 3.07Å
1497L95.2Very high93.9Very high0 Ų050.4 Ų50.40%026%0.256CS..Hα-helixtrans-69.5-30-179.7-76.4-177.5000113.4I1426 Q1483 M1486 T1495 L1500 S1501 M1550I1426-L1497 HydrophobicContact CG2-CD2 4.1Å; Q1483-L1497 WeakPolarHBondContact O-CD1 3.29Å; Q1483-L1497 WeakPolarHBondContact O-CG 3.24Å; M1486-L1497 HydrophobicContact CG-CB 4.26Å; T1495-L1497 VanDerWaalsContact C-N 3.35Å; T1495-L1497 PolarHBondContact O-N 3.29Å; L1497-L1500 HydrophobicContact CD2-CD2 4.36Å; L1497-S1501 PolarHBondContact O-N 3.15Å; L1497-M1550 HydrophobicContact CB-CE 3.84Å
1498Y97.1Very high94Very high37 Ų3745.9 Ų45.915%0.14524%0.243CC..Hα-helixtrans-67-50.1171.8-178.9-88.7000110.4L1492 R1493 T1495 Y1496 L1500 S1501 T1502 I1546 E1549 M1550L1492-Y1498 WeakPolarHBondContact O-CB 3.12Å; R1493-Y1498 HydrophobicContact CB-CD1 4Å; R1493-Y1498 HydrophobicContact CB-CE1 3.84Å; R1493-Y1498 HydrophobicContact CB-CG 4.49Å; R1493-Y1498 HydrophobicContact CG-CD1 4.34Å; R1493-Y1498 HydrophobicContact CG-CD2 4.44Å; R1493-Y1498 HydrophobicContact CG-CE1 3.94Å; R1493-Y1498 HydrophobicContact CG-CE2 4.05Å; R1493-Y1498 WeakPolarHBondContact O-CD1 3.47Å; T1495-Y1498 PolarHBondContact O-N 3.14Å; T1495-Y1498 VanDerWaalsContact O-N 3.13Å; Y1496-Y1498 VanDerWaalsContact C-N 3.35Å; Y1496-Y1498 PolarHBondContact O-N 3.08Å; Y1498-L1500 VanDerWaalsContact C-N 3.33Å; Y1498-L1500 PolarHBondContact O-N 3.34Å; Y1498-S1501 WeakPolarHBondContact O-CA 3.14Å; Y1498-S1501 VanDerWaalsContact O-CB 3.29Å; Y1498-S1501 WeakPolarHBondContact O-CB 3.25Å; Y1498-S1501 PolarHBondContact O-N 3.49Å; Y1498-S1501 PolarHBondContact O-OG 3.07Å; Y1498-T1502 HydrophobicContact CD1-CG2 4.33Å; Y1498-T1502 HydrophobicContact CE1-CG2 3.89Å; Y1498-T1502 PolarHBondContact O-N 2.99Å; Y1498-I1546 HydrophobicContact CD2-CD1 4.42Å; Y1498-I1546 HydrophobicContact CD2-CG2 3.73Å; Y1498-I1546 HydrophobicContact CE2-CD1 4.27Å; Y1498-I1546 HydrophobicContact CE2-CG2 4.32Å; Y1498-E1549 HydrophobicContact CE2-CB 4.05Å; Y1498-E1549 WeakPolarHBondContact CE2-OE2 3.24Å; Y1498-E1549 PolarHBondContact OH-OE2 3.14Å; Y1498-M1550 HydrophobicContact CD2-CG 3.73Å; Y1498-M1550 HydrophobicContact CD2-SD 4.39Å; Y1498-M1550 HydrophobicContact CG-CG 4.47Å
1499R96.6Very high94.2Very high123 Ų12343.4 Ų43.446%0.46423%0.23SC..Hα-helixtrans-58.2-43.3175.9-71.5-171.6-80.3141.9-6.6112.1N1494 T1495 Y1496 S1501 T1502 S1503N1494-R1499 PolarHBondContact O-NE 3.23Å; N1494-R1499 PolarHBondContact O-NH2 3.34Å; T1495-R1499 PolarHBondContact O-N 2.91Å; T1495-R1499 VanDerWaalsContact O-N 3.11Å; Y1496-R1499 PolarHBondContact O-N 3.26Å; R1499-S1501 PolarHBondContact O-N 3.12Å; R1499-T1502 PolarHBondContact O-N 3.14Å; R1499-T1502 PolarHBondContact O-OG1 3.07Å; R1499-S1503 PolarHBondContact O-N 3.21Å; R1499-S1503 PolarHBondContact O-OG 3.07Å
1500L96.1Very high94.3Very high7 Ų745 Ų454%0.03723%0.232CC..Hα-helixtrans-68.3-15.2174.5-167.765.2000113.5I1426 R1429 A1430 L1433 Y1496 L1497 Y1498I1426-L1500 HydrophobicContact CG2-CD2 3.65Å; R1429-L1500 HydrophobicContact CB-CD1 4.2Å; R1429-L1500 HydrophobicContact CB-CD2 4.03Å; R1429-L1500 HydrophobicContact CB-CG 4.31Å; R1429-L1500 PolarHBondContact NH2-O 3.36Å; A1430-L1500 HydrophobicContact CB-CD1 4.42Å; L1433-L1500 HydrophobicContact CD1-CD1 3.76Å; Y1496-L1500 HydrophobicContact CE1-CD2 4.05Å; Y1496-L1500 VanDerWaalsContact O-CB 3.28Å; Y1496-L1500 WeakPolarHBondContact O-CB 3.21Å; Y1496-L1500 PolarHBondContact O-N 3.07Å; L1497-L1500 HydrophobicContact CD2-CD2 4.36Å; Y1498-L1500 VanDerWaalsContact C-N 3.33Å; Y1498-L1500 PolarHBondContact O-N 3.34Å
1501S96.2Very high94.6Very high0 Ų039.1 Ų39.10%019%0.192CC..Hα-helixtrans-79-33.8168.784.80000111.9L1497 Y1498 R1499 N1553 R1557L1497-S1501 PolarHBondContact O-N 3.15Å; Y1498-S1501 WeakPolarHBondContact O-CA 3.14Å; Y1498-S1501 VanDerWaalsContact O-CB 3.29Å; Y1498-S1501 WeakPolarHBondContact O-CB 3.25Å; Y1498-S1501 PolarHBondContact O-N 3.49Å; Y1498-S1501 PolarHBondContact O-OG 3.07Å; R1499-S1501 PolarHBondContact O-N 3.12Å; S1501-N1553 WeakPolarHBondContact O-CB 3.33Å; S1501-N1553 PolarHBondContact OG-ND2 2.91Å; S1501-R1557 VanDerWaalsContact O-CZ 3.32Å; S1501-R1557 PolarHBondContact O-NH1 2.89Å; S1501-R1557 PolarHBondContact O-NH2 3.45Å
1502T94.4Very high94.7Very high66 Ų6635.9 Ų35.941%0.40517%0.174SC..Hα-helixtrans-80.3-14.7-179.764.60000113.4Y1498 R1499 R1557Y1498-T1502 HydrophobicContact CD1-CG2 4.33Å; Y1498-T1502 HydrophobicContact CE1-CG2 3.89Å; Y1498-T1502 PolarHBondContact O-N 2.99Å; R1499-T1502 PolarHBondContact O-N 3.14Å; R1499-T1502 PolarHBondContact O-OG1 3.07Å; T1502-R1557 VanDerWaalsContact CA-NH2 3.31Å; T1502-R1557 PolarHBondContact O-NH2 3.02Å
1503S92.1Very high95Very high29 Ų2934.2 Ų34.220%0.20317%0.166CC..SBendtrans-81.2146.9177.6-46.10000113.5L1433 R1499 R1557L1433-S1503 WeakPolarHBondContact CD1-OG 3.14Å; R1499-S1503 PolarHBondContact O-N 3.21Å; R1499-S1503 PolarHBondContact O-OG 3.07Å; S1503-R1557 PolarHBondContact O-NH1 2.98Å; S1503-R1557 PolarHBondContact O-NH2 2.88Å
1504P89.6Confident95.1Very high78 Ų7829.9 Ų29.951%0.50615%0.15SC..  trans-72.2167.4173.833.1-36.7000112.2L1433L1433-P1504 VanDerWaalsContact CD2-O 3.25Å; L1433-P1504 WeakPolarHBondContact CD2-O 3.37Å
1505G90.4Very high95.1Very high4 Ų426.5 Ų26.54%0.04113%0.131CC..  trans151.3-43.5163.300000115.3D1507 L1508G1505-D1507 PolarHBondContact N-OD1 3.26Å; G1505-D1507 PolarHBondContact O-N 3.29Å; G1505-L1508 WeakPolarHBondContact O-CB 3.45Å; G1505-L1508 PolarHBondContact O-N 2.82Å
1506L92.8Very high95Very high10 Ų1026.5 Ų26.55%0.05213%0.132CC..G310 helixtrans-67.9-29179.3-62.5-178.7000112R1429 F1447 L1508 V1512 I1530 L1554 F1558R1429-L1506 HydrophobicContact CG-CD2 3.78Å; R1429-L1506 HydrophobicContact CG-CG 4.28Å; F1447-L1506 HydrophobicContact CD1-CD2 3.65Å; F1447-L1506 HydrophobicContact CE1-CD2 3.66Å; L1506-L1508 PolarHBondContact O-N 3.26Å; L1506-V1512 VanDerWaalsContact O-CG2 3.27Å; L1506-V1512 WeakPolarHBondContact O-CG2 3.18Å; L1506-I1530 HydrophobicContact CD1-CD1 4.17Å; L1506-L1554 HydrophobicContact CD1-CD2 4.3Å; L1506-F1558 HydrophobicContact CB-CE1 3.59Å; L1506-F1558 HydrophobicContact CB-CZ 3.81Å; L1506-F1558 HydrophobicContact CD1-CZ 3.9Å
1507D92.7Very high94.8Very high36 Ų3626.2 Ų26.219%0.19313%0.131CC..G310 helixtrans-72.6-7.3174.551.4-60.1000114.8G1505 R1557 S1561 T1564G1505-D1507 PolarHBondContact N-OD1 3.26Å; G1505-D1507 PolarHBondContact O-N 3.29Å; D1507-R1557 HydrophobicContact CB-CB 3.82Å; D1507-R1557 WeakPolarHBondContact OD1-CD 3.49Å; D1507-S1561 PolarHBondContact O-OG 3.42Å; D1507-T1564 PolarHBondContact O-OG1 3.28Å
1508L94.1Very high94.4Very high54 Ų5427.8 Ų27.828%0.28314%0.141SC..G310 helixtrans-86.9-21.1176.2-53.4178.6000112.4L1441 L1444 G1505 L1506 R1563L1441-L1508 HydrophobicContact CB-CD1 4.16Å; L1441-L1508 HydrophobicContact CD1-CD1 4.03Å; L1441-L1508 HydrophobicContact CD2-CD1 4.07Å; L1441-L1508 HydrophobicContact CG-CD1 4.3Å; L1444-L1508 HydrophobicContact CD1-CB 3.83Å; L1444-L1508 HydrophobicContact CD1-CD1 4.41Å; G1505-L1508 WeakPolarHBondContact O-CB 3.45Å; G1505-L1508 PolarHBondContact O-N 2.82Å; L1506-L1508 PolarHBondContact O-N 3.26Å; L1508-R1563 PolarHBondContact O-NE 3.09Å
1509F96Very high94.1Very high0 Ų028.5 Ų28.50%015%0.146CC..SBendtrans-72.8148175-68.8-89.4000111.6F1418 L1432 L1444 T1446 F1447 V1512 T1564F1418-F1509 HydrophobicContact CB-CZ 4.45Å; F1418-F1509 AromaticContact CD2-CE1 3.93Å; F1418-F1509 HydrophobicContact CD2-CE1 3.93Å; F1418-F1509 AromaticContact CD2-CZ 3.84Å; F1418-F1509 HydrophobicContact CD2-CZ 3.84Å; F1418-F1509 HydrophobicContact CG-CZ 4.47Å; L1432-F1509 HydrophobicContact CD1-CE2 3.67Å; L1432-F1509 HydrophobicContact CD1-CZ 4.13Å; L1432-F1509 HydrophobicContact CD2-CZ 4.44Å; L1444-F1509 HydrophobicContact CB-CD1 3.82Å; L1444-F1509 HydrophobicContact CB-CE1 3.95Å; L1444-F1509 HydrophobicContact CB-CG 4.18Å; L1444-F1509 HydrophobicContact CB-CZ 4.43Å; L1444-F1509 HydrophobicContact CD1-CE2 4.22Å; L1444-F1509 HydrophobicContact CD1-CZ 4.22Å; L1444-F1509 HydrophobicContact CD2-CE1 3.83Å; L1444-F1509 HydrophobicContact CD2-CZ 3.9Å; L1444-F1509 HydrophobicContact CG-CE1 4.32Å; L1444-F1509 HydrophobicContact CG-CZ 4.4Å; T1446-F1509 VanDerWaalsContact C-CD1 3.47Å; F1447-F1509 HydrophobicContact CB-CD1 3.8Å; F1447-F1509 HydrophobicContact CB-CD2 3.95Å; F1447-F1509 HydrophobicContact CB-CE1 3.78Å; F1447-F1509 HydrophobicContact CB-CE2 3.93Å; F1447-F1509 HydrophobicContact CB-CG 3.88Å; F1447-F1509 HydrophobicContact CB-CZ 3.85Å; F1447-F1509 HydrophobicContact CG-CE2 4.46Å; F1447-F1509 HydrophobicContact CG-CZ 4.46Å; F1509-V1512 HydrophobicContact CB-CG2 4.01Å; F1509-T1564 WeakPolarHBondContact O-CA 3.36Å; F1509-T1564 WeakPolarHBondContact O-CB 3.44Å; F1509-T1564 WeakPolarHBondContact O-CG2 3.47Å; F1509-T1564 PolarHBondContact O-OG1 3.13Å
1510R95.3Very high93.8Very high87 Ų8723 Ų2333%0.32813%0.126SC..SBendtrans-70-35.8166.9-175.5-176.5177.6-165-0.4111.3H1445 T1564 T1565H1445-R1510 PolarHBondContact NE2-NH1 3.22Å; H1445-R1510 WeakPolarHBondContact O-CA 3.28Å; H1445-R1510 WeakPolarHBondContact O-CB 3.39Å; H1445-R1510 PolarHBondContact O-N 2.79Å; R1510-T1564 WeakPolarHBondContact O-CA 3.04Å; R1510-T1565 PolarHBondContact O-N 2.85Å
1511Y97.1Very high93.3Very high12 Ų1227.3 Ų27.35%0.04714%0.142CC..EExtended strand (participates in β ladder)trans-134.3127.2-176.5-59.7-56.2000111.2H1445 T1446 F1447 T1565 Y1609H1445-Y1511 AromaticContact CE1-CD2 3.83Å; H1445-Y1511 AromaticContact CE1-CE2 3.65Å; H1445-Y1511 PolarHBondContact O-N 3.12Å; T1446-Y1511 CarbonylContact C-O 3.53Å; T1446-Y1511 WeakPolarHBondContact CA-O 3.48Å; F1447-Y1511 PolarHBondContact N-O 3.06Å; Y1511-T1565 WeakPolarHBondContact CA-O 3.36Å; Y1511-Y1609 AromaticContact CD1-CD1 3.58Å; Y1511-Y1609 HydrophobicContact CD1-CD1 3.58Å; Y1511-Y1609 HydrophobicContact CD1-CE1 4.05Å; Y1511-Y1609 HydrophobicContact CD2-CD1 4.11Å; Y1511-Y1609 VanDerWaalsContact CD2-O 3.22Å; Y1511-Y1609 WeakPolarHBondContact CD2-O 3.41Å; Y1511-Y1609 AromaticContact CE1-CD1 3.85Å; Y1511-Y1609 HydrophobicContact CE1-CD1 3.85Å; Y1511-Y1609 HydrophobicContact CE1-CE1 4.2Å; Y1511-Y1609 HydrophobicContact CE2-CD1 4.3Å; Y1511-Y1609 AromaticContact CG-CD1 3.72Å; Y1511-Y1609 HydrophobicContact CG-CD1 3.72Å; Y1511-Y1609 HydrophobicContact CG-CG 4.48Å
1512V97.2Very high92.9Very high0 Ų031.4 Ų31.40%016%0.158CC..EExtended strand (participates in β ladder)trans-118.2111.3172.2171.80000108.6F1447 L1506 F1509 L1514 F1558 T1564 T1565 V1567F1447-V1512 HydrophobicContact CD1-CG1 4.28Å; L1506-V1512 VanDerWaalsContact O-CG2 3.27Å; L1506-V1512 WeakPolarHBondContact O-CG2 3.18Å; F1509-V1512 HydrophobicContact CB-CG2 4.01Å; V1512-L1514 HydrophobicContact CG1-CD2 3.92Å; V1512-L1514 HydrophobicContact CG1-CG 4.05Å; V1512-F1558 HydrophobicContact CB-CE1 4.42Å; V1512-F1558 HydrophobicContact CG1-CE1 4.29Å; V1512-F1558 HydrophobicContact CG1-CZ 4.05Å; V1512-F1558 HydrophobicContact CG2-CE1 4.08Å; V1512-T1564 HydrophobicContact CB-CG2 4.29Å; V1512-T1564 HydrophobicContact CG2-CG2 3.76Å; V1512-T1565 PolarHBondContact N-O 3.28Å; V1512-V1567 PolarHBondContact O-N 3.31Å
1513L97.9Very high92.6Very high0 Ų028.5 Ų28.50%014%0.14CC..EExtended strand (participates in β ladder)trans-108.5112.4-175.6-46.8-178.4000109.1T1446 F1447 L1448 S1449 V1567 Y1569 Y1609T1446-L1513 HydrophobicContact CG2-CD1 3.77Å; T1446-L1513 HydrophobicContact CG2-CG 4.11Å; F1447-L1513 PolarHBondContact O-N 3.04Å; L1448-L1513 HydrophobicContact CD1-CB 3.81Å; L1448-L1513 HydrophobicContact CD1-CD1 4.21Å; S1449-L1513 PolarHBondContact N-O 3.18Å; L1513-V1567 WeakPolarHBondContact CA-O 3.44Å; L1513-V1567 HydrophobicContact CD2-CB 3.7Å; L1513-V1567 HydrophobicContact CD2-CG1 4.45Å; L1513-V1567 HydrophobicContact CD2-CG2 3.68Å; L1513-Y1569 HydrophobicContact CB-CE2 4.18Å; L1513-Y1569 HydrophobicContact CD2-CE2 4.36Å; L1513-Y1609 HydrophobicContact CD1-CD2 3.92Å; L1513-Y1609 HydrophobicContact CD1-CG 4.02Å; L1513-Y1609 HydrophobicContact CD2-CD1 4.01Å; L1513-Y1609 HydrophobicContact CD2-CD2 3.77Å; L1513-Y1609 HydrophobicContact CD2-CE1 4.26Å; L1513-Y1609 HydrophobicContact CD2-CE2 4.03Å; L1513-Y1609 HydrophobicContact CD2-CG 3.75Å; L1513-Y1609 HydrophobicContact CG-CG 4.49Å
1514L97.4Very high92.5Very high1 Ų127.4 Ų27.41%0.00513%0.132CC..EExtended strand (participates in β ladder)trans-108.6104.2-176.3-59.3178.8000109.7V1512 R1529 I1530 V1567 R1568 Y1569V1512-L1514 HydrophobicContact CG1-CD2 3.92Å; V1512-L1514 HydrophobicContact CG1-CG 4.05Å; L1514-R1529 WeakPolarHBondContact CD1-O 3.39Å; L1514-I1530 HydrophobicContact CD1-CB 4.3Å; L1514-I1530 HydrophobicContact CD1-CD1 3.9Å; L1514-I1530 HydrophobicContact CD1-CG1 3.99Å; L1514-I1530 HydrophobicContact CD2-CD1 4.32Å; L1514-V1567 PolarHBondContact N-O 3.44Å; L1514-R1568 HydrophobicContact CB-CG 4.42Å; L1514-R1568 HydrophobicContact CD1-CG 4.39Å; L1514-R1568 CarbonylContact O-C 3.6Å; L1514-R1568 WeakPolarHBondContact O-CA 3.3Å; L1514-Y1569 PolarHBondContact O-N 2.93Å
1515V96.8Very high92.5Very high1 Ų124.7 Ų24.71%0.00611%0.112CC..EExtended strand (participates in β ladder)trans-99.3117.8-177.8-173.40000110.4L1448 S1449 L1450 S1451 Y1569 V1571 V1591 F1597 F1601L1448-V1515 HydrophobicContact CD1-CG2 3.73Å; S1449-V1515 WeakPolarHBondContact O-CB 3.38Å; S1449-V1515 PolarHBondContact O-N 3.09Å; L1450-V1515 HydrophobicContact CD2-CB 3.89Å; L1450-V1515 HydrophobicContact CD2-CG1 4.34Å; L1450-V1515 HydrophobicContact CD2-CG2 3.78Å; S1451-V1515 PolarHBondContact N-O 2.9Å; V1515-Y1569 HydrophobicContact CG2-CD2 3.91Å; V1515-Y1569 HydrophobicContact CG2-CG 4.32Å; V1515-V1571 HydrophobicContact CG1-CG2 3.81Å; V1515-V1591 HydrophobicContact CG1-CG2 4.18Å; V1515-F1597 HydrophobicContact CG1-CZ 4.21Å; V1515-F1601 HydrophobicContact CG2-CE2 4.03Å; V1515-F1601 HydrophobicContact CG2-CZ 3.75Å
1516G93.1Very high92.5Very high1 Ų125.5 Ų25.51%0.0112%0.115CC..EExtended strand (participates in β ladder)trans-127.3164.6177.600000113.1T1528 Y1569 V1571G1516-T1528 VanDerWaalsContact CA-OG1 3.32Å; G1516-T1528 WeakPolarHBondContact CA-OG1 3.27Å; G1516-Y1569 PolarHBondContact N-O 3.36Å; G1516-V1571 PolarHBondContact O-N 2.98Å
1517S92.1Very high92.6Very high4 Ų425 Ų253%0.02811%0.112CC..  trans-144.7125.9175.6176.60000109Q1519 D1520 Y1525 V1571 Y1573S1517-Q1519 PolarHBondContact O-N 2.87Å; S1517-Q1519 PolarHBondContact OG-OE1 3.42Å; S1517-D1520 VanDerWaalsContact O-CB 3.3Å; S1517-D1520 WeakPolarHBondContact O-CB 3.46Å; S1517-D1520 PolarHBondContact O-N 3.07Å; S1517-Y1525 VanDerWaalsContact C-CD2 3.45Å; S1517-V1571 VanDerWaalsContact CB-O 3.31Å; S1517-V1571 WeakPolarHBondContact CB-O 3.37Å; S1517-V1571 PolarHBondContact OG-O 3.23Å; S1517-Y1573 WeakPolarHBondContact OG-CD2 3.34Å
1518P88.2Confident92.7Very high33 Ų3323.4 Ų23.421%0.21410%0.103CC..THydrogen-bonded Turntrans-64.5-17.5178-25.536.8000113.4D1520 Y1525 D1570P1518-D1520 VanDerWaalsContact C-N 3.32Å; P1518-Y1525 HydrophobicContact CB-CD2 4.39Å; P1518-Y1525 HydrophobicContact CG-CD2 3.9Å; P1518-Y1525 HydrophobicContact CG-CE1 4.41Å; P1518-Y1525 HydrophobicContact CG-CE2 3.61Å; P1518-Y1525 HydrophobicContact CG-CG 4.4Å; P1518-D1570 WeakPolarHBondContact CD-OD1 3.21Å
1519Q89.1Confident92.6Very high53 Ų5321 Ų2125%0.2489%0.091CC..THydrogen-bonded Turntrans-78.1-14.7173.4-59.581.7700112.6S1517 V1571 H1572 G1584 A1587S1517-Q1519 PolarHBondContact O-N 2.87Å; S1517-Q1519 PolarHBondContact OG-OE1 3.42Å; Q1519-V1571 PolarHBondContact OE1-O 2.82Å; Q1519-V1571 VanDerWaalsContact OE1-O 3.12Å; Q1519-H1572 PolarHBondContact NE2-ND1 3.27Å; Q1519-G1584 WeakPolarHBondContact O-CA 3.27Å; Q1519-A1587 VanDerWaalsContact C-CB 3.42Å; Q1519-A1587 HydrophobicContact CB-CB 3.69Å; Q1519-A1587 WeakPolarHBondContact O-CB 3.49Å
1520D90.1Very high92.5Very high7 Ų721 Ų214%0.0379%0.091CC..  trans-72.2126.2169.9-168.4-19.1000109.7S1451 S1517 P1518 Y1522 V1523 A1587 H1588S1451-D1520 VanDerWaalsContact CB-OD2 3.28Å; S1451-D1520 WeakPolarHBondContact CB-OD2 3.26Å; S1451-D1520 PolarHBondContact OG-OD2 2.87Å; S1517-D1520 VanDerWaalsContact O-CB 3.3Å; S1517-D1520 WeakPolarHBondContact O-CB 3.46Å; S1517-D1520 PolarHBondContact O-N 3.07Å; P1518-D1520 VanDerWaalsContact C-N 3.32Å; D1520-Y1522 WeakPolarHBondContact OD1-CB 3.45Å; D1520-Y1522 PolarHBondContact OD1-N 3.47Å; D1520-V1523 PolarHBondContact OD1-N 2.89Å; D1520-A1587 HydrophobicContact CB-CB 4.38Å; D1520-H1588 IonicContact OD1-CG 3.9Å; D1520-H1588 IonicContact OD1-ND1 3.06Å; D1520-H1588 PolarHBondContact OD1-ND1 3.32Å; D1520-H1588 IonicContact OD2-CE1 3.39Å; D1520-H1588 IonicContact OD2-CG 3.98Å; D1520-H1588 IonicContact OD2-ND1 3.83Å; D1520-H1588 PolarHBondContact OD2-ND1 2.78Å
1521R86.7Confident92.3Very high98 Ų9817.1 Ų17.137%0.378%0.076SC..  trans-119.7-2.7177.9-60.1173.7168.2-106.72.7112.6N1460 S1462 I1465 L1582N1460-R1521 PolarHBondContact ND2-O 2.96Å; N1460-R1521 PolarHBondContact OD1-O 3.27Å; S1462-R1521 WeakPolarHBondContact OG-CD 3.15Å; S1462-R1521 PolarHBondContact OG-NH1 3Å; I1465-R1521 HydrophobicContact CD1-CB 3.45Å; I1465-R1521 VanDerWaalsContact CD1-CB 3.45Å; I1465-R1521 WeakPolarHBondContact CD1-O 3.35Å; R1521-L1582 WeakPolarHBondContact CD-O 3.25Å
1522Y86.8Confident92Very high85 Ų8517.7 Ų17.733%0.3338%0.08SC..SBendtrans-77.1-45.2174.7-87.144.2000109.4I1465 D1520 I1583 R1585 H1588I1465-Y1522 HydrophobicContact CD1-CD1 4.23Å; D1520-Y1522 WeakPolarHBondContact OD1-CB 3.45Å; D1520-Y1522 PolarHBondContact OD1-N 3.47Å; Y1522-I1583 HydrophobicContact CE1-CG2 4.22Å; Y1522-I1583 WeakPolarHBondContact CE1-O 3.5Å; Y1522-R1585 HydrophobicContact CD1-CB 4.39Å; Y1522-R1585 HydrophobicContact CE1-CB 3.57Å; Y1522-R1585 HydrophobicContact CE1-CG 4.13Å; Y1522-R1585 HydrophobicContact CE2-CG 4.44Å; Y1522-H1588 AromaticContact CD2-CD2 3.92Å; Y1522-H1588 HydrophobicContact CG-CB 4.32Å
1523V89.7Confident91.5Very high5 Ų518.1 Ų18.13%0.038%0.083CC..SBendtrans-112.2132.4174.7178.60000109.6S1451 P1453 D1520 Y1525 T1528S1451-V1523 WeakPolarHBondContact O-CG2 3.42Å; P1453-V1523 HydrophobicContact CB-CG1 3.71Å; P1453-V1523 HydrophobicContact CB-CG2 4.14Å; D1520-V1523 PolarHBondContact OD1-N 2.89Å; V1523-Y1525 PolarHBondContact O-N 3.35Å; V1523-T1528 HydrophobicContact CB-CG2 4.18Å; V1523-T1528 HydrophobicContact CG1-CG2 3.55Å
1524P90Very high91Very high6 Ų622.5 Ų22.54%0.03910%0.102CC..  trans-60.9131.3177.8-17.527.8000111.2V1458 N1460 H1526 S1527 T1528V1458-P1524 WeakPolarHBondContact O-CG 3.35Å; N1460-P1524 HydrophobicContact CB-CG 4Å; P1524-H1526 VanDerWaalsContact C-N 3.32Å; P1524-H1526 PolarHBondContact O-N 2.97Å; P1524-S1527 WeakPolarHBondContact O-CA 3.35Å; P1524-S1527 WeakPolarHBondContact O-CB 3.42Å; P1524-S1527 PolarHBondContact O-N 2.76Å; P1524-T1528 PolarHBondContact O-N 3.5Å
1525Y89Confident90.5Very high21 Ų2124.7 Ų24.78%0.08212%0.12CC..Hα-helixtrans-53.3-43.8-176.7178.5-104.3000114Y377 S1517 P1518 V1523 S1527 T1528 R1529 D1570Y377-Y1525 HydrophobicContact CD1-CD1 4.3Å; Y377-Y1525 HydrophobicContact CD1-CE1 4.3Å; Y377-Y1525 HydrophobicContact CD2-CE1 4.08Å; Y377-Y1525 AromaticContact CE1-CD1 3.95Å; Y377-Y1525 HydrophobicContact CE1-CD1 3.95Å; Y377-Y1525 AromaticContact CE1-CE1 3.83Å; Y377-Y1525 HydrophobicContact CE1-CE1 3.83Å; Y377-Y1525 HydrophobicContact CE2-CD1 4.48Å; Y377-Y1525 AromaticContact CE2-CE1 3.6Å; Y377-Y1525 HydrophobicContact CE2-CE1 3.6Å; Y377-Y1525 HydrophobicContact CG-CE1 4.42Å; Y377-Y1525 AromaticContact CZ-CE1 3.46Å; Y377-Y1525 VanDerWaalsContact CZ-CE1 3.46Å; S1517-Y1525 VanDerWaalsContact C-CD2 3.45Å; P1518-Y1525 HydrophobicContact CB-CD2 4.39Å; P1518-Y1525 HydrophobicContact CG-CD2 3.9Å; P1518-Y1525 HydrophobicContact CG-CE1 4.41Å; P1518-Y1525 HydrophobicContact CG-CE2 3.61Å; P1518-Y1525 HydrophobicContact CG-CG 4.4Å; V1523-Y1525 PolarHBondContact O-N 3.35Å; Y1525-S1527 PolarHBondContact O-N 2.88Å; Y1525-T1528 PolarHBondContact O-N 2.96Å; Y1525-T1528 VanDerWaalsContact O-N 3.12Å; Y1525-T1528 PolarHBondContact O-OG1 2.82Å; Y1525-R1529 PolarHBondContact O-N 3.44Å; Y1525-R1529 WeakPolarHBondContact OH-CD 3.19Å; Y1525-R1529 PolarHBondContact OH-NE 2.98Å; Y1525-D1570 PolarHBondContact OH-OD1 2.7Å; Y1525-D1570 PolarHBondContact OH-OD2 3.19Å
1526H91Very high90.2Very high22 Ų2224.7 Ų24.710%0.10212%0.12CC..Hα-helixtrans-66.5-21.9175.654.982.3000113.5P1524 I1530 E1531 C1533 Y1547P1524-H1526 VanDerWaalsContact C-N 3.32Å; P1524-H1526 PolarHBondContact O-N 2.97Å; H1526-I1530 PolarHBondContact O-N 2.82Å; H1526-E1531 HydrophobicContact CB-CB 4.42Å; H1526-E1531 PolarHBondContact O-N 2.85Å; H1526-C1533 HydrophobicContact CB-CB 3.88Å; H1526-Y1547 AromaticContact CE1-CZ 3.99Å; H1526-Y1547 PolarHBondContact CE1-OH 2.85Å; H1526-Y1547 AromaticContact ND1-CZ 3.65Å; H1526-Y1547 PolarHBondContact ND1-OH 3.09Å
1527S94.1Very high89.9Confident0 Ų027.6 Ų27.60%014%0.135CC..Hα-helixtrans-74.6-35172.2-160.50000111.7G1452 P1453 H1454 L1455 G1456 P1524 Y1525G1452-S1527 CarbonylContact O-C 3.56Å; P1453-S1527 VanDerWaalsContact C-OG 3.28Å; H1454-S1527 WeakPolarHBondContact CB-O 3.47Å; H1454-S1527 PolarHBondContact N-O 3.18Å; H1454-S1527 PolarHBondContact N-OG 3.3Å; L1455-S1527 WeakPolarHBondContact CA-OG 3.42Å; L1455-S1527 PolarHBondContact N-OG 3.37Å; G1456-S1527 PolarHBondContact N-OG 3.29Å; G1456-S1527 WeakPolarHBondContact O-CB 3.29Å; G1456-S1527 PolarHBondContact O-OG 2.96Å; P1524-S1527 WeakPolarHBondContact O-CA 3.35Å; P1524-S1527 WeakPolarHBondContact O-CB 3.42Å; P1524-S1527 PolarHBondContact O-N 2.76Å; Y1525-S1527 PolarHBondContact O-N 2.88Å
1528T94Very high89.9Confident1 Ų135.8 Ų35.81%0.00617%0.17CC..Hα-helixtrans-69.5-37.4176.971.30000112.6G1452 G1516 V1523 P1524 Y1525G1452-T1528 VanDerWaalsContact O-CA 3.26Å; G1452-T1528 WeakPolarHBondContact O-CA 3.46Å; G1516-T1528 VanDerWaalsContact CA-OG1 3.32Å; G1516-T1528 WeakPolarHBondContact CA-OG1 3.27Å; V1523-T1528 HydrophobicContact CB-CG2 4.18Å; V1523-T1528 HydrophobicContact CG1-CG2 3.55Å; P1524-T1528 PolarHBondContact O-N 3.5Å; Y1525-T1528 PolarHBondContact O-N 2.96Å; Y1525-T1528 VanDerWaalsContact O-N 3.12Å; Y1525-T1528 PolarHBondContact O-OG1 2.82Å
1529R92.9Very high90Very high4 Ų436.3 Ų36.32%0.01517%0.171CC..Hα-helixtrans-89.6-7.6-179.1-75.7171.258.2103.97.4115.2D423 L1514 Y1525 E1531 R1568D423-R1529 IonicContact OD2-CZ 2.71Å; D423-R1529 IonicContact OD2-NH1 3.33Å; D423-R1529 PolarHBondContact OD2-NH1 2.98Å; D423-R1529 IonicContact OD2-NH2 3.46Å; D423-R1529 PolarHBondContact OD2-NH2 3.18Å; L1514-R1529 WeakPolarHBondContact CD1-O 3.39Å; Y1525-R1529 PolarHBondContact O-N 3.44Å; Y1525-R1529 WeakPolarHBondContact OH-CD 3.19Å; Y1525-R1529 PolarHBondContact OH-NE 2.98Å; R1529-E1531 HydrophobicContact CB-CG 3.94Å; R1529-E1531 WeakPolarHBondContact CB-OE2 3.04Å; R1529-E1531 IonicContact CZ-OE1 2.77Å; R1529-E1531 IonicContact CZ-OE2 3.29Å; R1529-E1531 VanDerWaalsContact NE-CD 3.26Å; R1529-E1531 IonicContact NE-OE1 3.15Å; R1529-E1531 PolarHBondContact NE-OE1 2.95Å; R1529-E1531 VanDerWaalsContact NE-OE1 3.13Å; R1529-E1531 IonicContact NE-OE2 3.46Å; R1529-E1531 PolarHBondContact NE-OE2 2.96Å; R1529-E1531 IonicContact NH2-OE1 2.81Å; R1529-E1531 PolarHBondContact NH2-OE1 2.85Å; R1529-E1531 IonicContact NH2-OE2 3.19Å; R1529-R1568 HydrophobicContact CB-CG 4.38Å; R1529-R1568 HydrophobicContact CG-CB 4.33Å; R1529-R1568 HydrophobicContact CG-CG 4.4Å; R1529-R1568 PolarHBondContact O-NE 2.99Å
1530I94.5Very high90.2Very high0 Ų039.4 Ų39.40%020%0.198CC..THydrogen-bonded Turntrans54.468.9-170.6-50.7173.7000109.9H1454 L1455 L1506 L1514 H1526 L1554 L1555 F1558 R1568H1454-I1530 HydrophobicContact CB-CD1 4.01Å; H1454-I1530 HydrophobicContact CB-CG1 3.65Å; L1455-I1530 HydrophobicContact CD1-CG2 4.27Å; L1506-I1530 HydrophobicContact CD1-CD1 4.17Å; L1514-I1530 HydrophobicContact CD1-CB 4.3Å; L1514-I1530 HydrophobicContact CD1-CD1 3.9Å; L1514-I1530 HydrophobicContact CD1-CG1 3.99Å; L1514-I1530 HydrophobicContact CD2-CD1 4.32Å; H1526-I1530 PolarHBondContact O-N 2.82Å; I1530-L1554 HydrophobicContact CD1-CD1 4.35Å; I1530-L1554 HydrophobicContact CG2-CB 3.85Å; I1530-L1554 HydrophobicContact CG2-CD1 3.9Å; I1530-L1555 HydrophobicContact CG2-CD2 3.98Å; I1530-L1555 HydrophobicContact CG2-CG 4.33Å; I1530-F1558 HydrophobicContact CD1-CE2 4.13Å; I1530-F1558 HydrophobicContact CD1-CZ 4.37Å; I1530-R1568 PolarHBondContact O-NH2 3.22Å
1531E90.5Very high90.4Very high5 Ų541.5 Ų41.52%0.02321%0.214CC..  trans-132.7148.7-174.7-76.4176.1158.100112.7H1526 R1529 R1568H1526-E1531 HydrophobicContact CB-CB 4.42Å; H1526-E1531 PolarHBondContact O-N 2.85Å; R1529-E1531 HydrophobicContact CB-CG 3.94Å; R1529-E1531 WeakPolarHBondContact CB-OE2 3.04Å; R1529-E1531 IonicContact CZ-OE1 2.77Å; R1529-E1531 IonicContact CZ-OE2 3.29Å; R1529-E1531 VanDerWaalsContact NE-CD 3.26Å; R1529-E1531 IonicContact NE-OE1 3.15Å; R1529-E1531 PolarHBondContact NE-OE1 2.95Å; R1529-E1531 VanDerWaalsContact NE-OE1 3.13Å; R1529-E1531 IonicContact NE-OE2 3.46Å; R1529-E1531 PolarHBondContact NE-OE2 2.96Å; R1529-E1531 IonicContact NH2-OE1 2.81Å; R1529-E1531 PolarHBondContact NH2-OE1 2.85Å; R1529-E1531 IonicContact NH2-OE2 3.19Å; E1531-R1568 WeakPolarHBondContact OE1-CD 3.37Å; E1531-R1568 IonicContact OE1-CZ 3.44Å; E1531-R1568 VanDerWaalsContact OE1-CZ 3.22Å; E1531-R1568 IonicContact OE1-NE 3.6Å; E1531-R1568 PolarHBondContact OE1-NE 3.27Å; E1531-R1568 IonicContact OE1-NH1 3.55Å; E1531-R1568 PolarHBondContact OE1-NH1 3.47Å
1532L90.2Very high90.7Very high25 Ų2540.8 Ų40.813%0.13122%0.22CC..  trans-68.5131.8169.8-72.8175.5000110Y377 I1537 M1548 V1551Y377-L1532 PolarHBondContact N-O 3.5Å; L1532-I1537 HydrophobicContact CB-CD1 4.23Å; L1532-M1548 HydrophobicContact CD2-CB 4.23Å; L1532-M1548 HydrophobicContact CD2-CG 3.81Å; L1532-V1551 HydrophobicContact CD2-CB 3.88Å; L1532-V1551 HydrophobicContact CD2-CG1 3.82Å; L1532-V1551 HydrophobicContact CD2-CG2 4.1Å; L1532-V1551 HydrophobicContact CG-CB 4.44Å; L1532-V1551 HydrophobicContact CG-CG1 3.82Å
1533C87.1Confident91Very high8 Ų838.9 Ų38.95%0.05422%0.216CC..BIsolated β-bridgetrans-112.4147.6177.878.30000112.7H1526 A1535 A1536 I1537H1526-C1533 HydrophobicContact CB-CB 3.88Å; C1533-A1535 PolarHBondContact O-N 2.8Å; C1533-A1536 PolarHBondContact O-N 3.47Å; C1533-I1537 WeakPolarHBondContact O-CG1 3.33Å; C1533-I1537 PolarHBondContact O-N 3.01Å
1534K86.9Confident91.1Very high92 Ų9238.7 Ų38.740%0.421%0.214SC..Hα-helixtrans-57.2-19.1177.9-74.1-178.6170.4177.80114.7I376 D378 K1538I376-K1534 HydrophobicContact CG2-CG 4.25Å; D378-K1534 IonicContact OD1-NZ 3.38Å; D378-K1534 PolarHBondContact OD1-NZ 2.8Å; D378-K1534 WeakPolarHBondContact OD2-CE 3.42Å; D378-K1534 IonicContact OD2-NZ 3.72Å; D378-K1534 PolarHBondContact OD2-NZ 3.19Å; K1534-K1538 WeakPolarHBondContact O-CB 3.28Å; K1534-K1538 VanDerWaalsContact O-CG 3.29Å; K1534-K1538 WeakPolarHBondContact O-CG 3.34Å
1535A87.7Confident91.4Very high48 Ų4842.1 Ų42.140%0.39723%0.232SC..Hα-helixtrans-75.7-53.5176.600000111Y1459 C1533 I1537 K1538 D1539Y1459-A1535 HydrophobicContact CD1-CB 3.74Å; Y1459-A1535 HydrophobicContact CG-CB 4.1Å; C1533-A1535 PolarHBondContact O-N 2.8Å; A1535-I1537 VanDerWaalsContact C-N 3.34Å; A1535-I1537 PolarHBondContact O-N 2.91Å; A1535-K1538 PolarHBondContact O-N 2.85Å; A1535-K1538 VanDerWaalsContact O-N 3.16Å; A1535-D1539 PolarHBondContact O-N 2.93Å; A1535-D1539 VanDerWaalsContact O-N 3.08Å
1536A89.7Confident91.7Very high0 Ų041.1 Ų41.10%023%0.228CC..Hα-helixtrans-61.2-38.9178.300000113Y1459 C1533 K1538 D1539 Y1547Y1459-A1536 HydrophobicContact CD2-CB 4.07Å; Y1459-A1536 HydrophobicContact CE2-CB 3.71Å; C1533-A1536 PolarHBondContact O-N 3.47Å; A1536-K1538 VanDerWaalsContact C-N 3.26Å; A1536-K1538 PolarHBondContact O-N 2.81Å; A1536-D1539 PolarHBondContact O-N 2.77Å; A1536-Y1547 HydrophobicContact CB-CD1 3.42Å; A1536-Y1547 VanDerWaalsContact CB-CD1 3.42Å; A1536-Y1547 HydrophobicContact CB-CE1 4.22Å; A1536-Y1547 HydrophobicContact CB-CG 3.84Å
1537I88.7Confident91.8Very high63 Ų6340.1 Ų40.132%0.32322%0.223SC..Hα-helixtrans-65.9-28.9178.2-62.7164.9000112.2I376 L1532 C1533 A1535 M1548I376-I1537 HydrophobicContact CB-CD1 4.23Å; I376-I1537 HydrophobicContact CD1-CD1 3.75Å; I376-I1537 HydrophobicContact CG1-CD1 3.68Å; I376-I1537 HydrophobicContact CG2-CD1 3.53Å; L1532-I1537 HydrophobicContact CB-CD1 4.23Å; C1533-I1537 WeakPolarHBondContact O-CG1 3.33Å; C1533-I1537 PolarHBondContact O-N 3.01Å; A1535-I1537 VanDerWaalsContact C-N 3.34Å; A1535-I1537 PolarHBondContact O-N 2.91Å; I1537-M1548 HydrophobicContact CB-SD 4.41Å; I1537-M1548 HydrophobicContact CG1-SD 3.85Å
1538K91.4Very high91.8Very high175 Ų17542 Ų4276%0.76123%0.232SC*.Hα-helixtrans-89.6-11177-72.4-177.2176.1-166.90113.4K1534 A1535 A1536 S1540K1534-K1538 WeakPolarHBondContact O-CB 3.28Å; K1534-K1538 VanDerWaalsContact O-CG 3.29Å; K1534-K1538 WeakPolarHBondContact O-CG 3.34Å; A1535-K1538 PolarHBondContact O-N 2.85Å; A1535-K1538 VanDerWaalsContact O-N 3.16Å; A1536-K1538 VanDerWaalsContact C-N 3.26Å; A1536-K1538 PolarHBondContact O-N 2.81Å; K1538-S1540 PolarHBondContact O-N 3.41Å
1539D91Very high91.9Very high44 Ų4444.4 Ų44.424%0.23524%0.244CC..  trans-87.598.7179.3-175.1-5.3000109Y1459 A1535 A1536 S1541 G1544Y1459-D1539 HydrophobicContact CE1-CB 4.12Å; Y1459-D1539 WeakPolarHBondContact CE1-OD2 3.16Å; Y1459-D1539 PolarHBondContact OH-OD2 3.49Å; A1535-D1539 PolarHBondContact O-N 2.93Å; A1535-D1539 VanDerWaalsContact O-N 3.08Å; A1536-D1539 PolarHBondContact O-N 2.77Å; D1539-S1541 VanDerWaalsContact CG-OG 3.27Å; D1539-S1541 PolarHBondContact O-N 2.98Å; D1539-S1541 WeakPolarHBondContact OD1-CB 3.38Å; D1539-S1541 PolarHBondContact OD1-N 2.64Å; D1539-S1541 PolarHBondContact OD1-OG 3.05Å; D1539-S1541 PolarHBondContact OD2-OG 3.21Å; D1539-G1544 WeakPolarHBondContact O-CA 3.45Å
1540S91.8Very high92.1Very high118 Ų11844.2 Ų44.283%0.82524%0.243SC*.  trans-76.23.817761.40000113.6K1538K1538-S1540 PolarHBondContact O-N 3.41Å
1541S93.9Very high92.1Very high52 Ų5244.3 Ų44.336%0.36424%0.243SC..SBendtrans-74.8167.5172.278.80000111.5D1539 L1543 G1544 I1545D1539-S1541 VanDerWaalsContact CG-OG 3.27Å; D1539-S1541 PolarHBondContact O-N 2.98Å; D1539-S1541 WeakPolarHBondContact OD1-CB 3.38Å; D1539-S1541 PolarHBondContact OD1-N 2.64Å; D1539-S1541 PolarHBondContact OD1-OG 3.05Å; D1539-S1541 PolarHBondContact OD2-OG 3.21Å; S1541-L1543 PolarHBondContact O-N 3.23Å; S1541-L1543 VanDerWaalsContact O-N 3.09Å; S1541-L1543 PolarHBondContact OG-N 3.24Å; S1541-G1544 PolarHBondContact O-N 2.93Å; S1541-G1544 VanDerWaalsContact O-N 3.11Å; S1541-I1545 PolarHBondContact O-N 3.48Å
1542T93.4Very high92.3Very high82 Ų8245.8 Ų45.850%0.50325%0.253SS..Hα-helixtrans-51.7-33.1172.6-39.10000112L1492 G1544 I1545 I1546L1492-T1542 HydrophobicContact CD1-CG2 4.18Å; T1542-G1544 PolarHBondContact O-N 3.45Å; T1542-I1545 PolarHBondContact O-N 3.16Å; T1542-I1546 HydrophobicContact CG2-CG1 4.03Å; T1542-I1546 WeakPolarHBondContact O-CB 3.34Å; T1542-I1546 WeakPolarHBondContact O-CG1 3.2Å; T1542-I1546 PolarHBondContact O-N 3.42Å
1543L93.1Very high92.5Very high46 Ų4646.3 Ų46.324%0.24126%0.256CS..Hα-helixtrans-66.2-39.5-179.3-172.364.5000112.7V1458 Y1459 M1486 L1492 S1541 I1546 Y1547V1458-L1543 HydrophobicContact CG1-CD1 4.49Å; V1458-L1543 HydrophobicContact CG1-CD2 4.46Å; Y1459-L1543 HydrophobicContact CE2-CG 4.39Å; Y1459-L1543 WeakPolarHBondContact OH-CG 3.41Å; M1486-L1543 HydrophobicContact CE-CD1 3.97Å; M1486-L1543 HydrophobicContact SD-CD1 4.5Å; L1492-L1543 HydrophobicContact CD1-CB 4.11Å; L1492-L1543 HydrophobicContact CD1-CD1 3.98Å; L1492-L1543 HydrophobicContact CD2-CD1 4.34Å; S1541-L1543 PolarHBondContact O-N 3.23Å; S1541-L1543 VanDerWaalsContact O-N 3.09Å; S1541-L1543 PolarHBondContact OG-N 3.24Å; L1543-I1546 PolarHBondContact O-N 2.96Å; L1543-Y1547 WeakPolarHBondContact O-CB 3.29Å; L1543-Y1547 PolarHBondContact O-N 2.89Å
1544G93.1Very high92.8Very high0 Ų046.2 Ų46.20%026%0.255CS..Hα-helixtrans-68-42.1178.200000112.1Y1459 D1539 S1541 T1542 Y1547 M1548Y1459-G1544 VanDerWaalsContact OH-CA 3.26Å; Y1459-G1544 WeakPolarHBondContact OH-CA 3.39Å; Y1459-G1544 PolarHBondContact OH-N 3.02Å; Y1459-G1544 VanDerWaalsContact OH-N 3.11Å; D1539-G1544 WeakPolarHBondContact O-CA 3.45Å; S1541-G1544 PolarHBondContact O-N 2.93Å; S1541-G1544 VanDerWaalsContact O-N 3.11Å; T1542-G1544 PolarHBondContact O-N 3.45Å; G1544-Y1547 PolarHBondContact O-N 3.32Å; G1544-M1548 WeakPolarHBondContact O-CG 3.49Å; G1544-M1548 PolarHBondContact O-N 2.94Å
1545I94.7Very high93.1Very high79 Ų7941.9 Ų41.941%0.40524%0.236SC..Hα-helixtrans-59.1-51.8173.9-60.5171.8000110.3S1541 T1542 Y1547 M1548 E1549S1541-I1545 PolarHBondContact O-N 3.48Å; T1542-I1545 PolarHBondContact O-N 3.16Å; I1545-Y1547 VanDerWaalsContact C-N 3.28Å; I1545-Y1547 PolarHBondContact O-N 3.3Å; I1545-M1548 PolarHBondContact O-N 3Å; I1545-M1548 VanDerWaalsContact O-N 3.13Å; I1545-E1549 PolarHBondContact O-N 3.41Å
1546I95.2Very high93.2Very high0 Ų043.9 Ų43.90%024%0.237CC..Hα-helixtrans-61.2-37.9179.8-64-82.9000111.2M1486 L1492 R1493 Y1498 T1542 L1543 E1549 M1550M1486-I1546 HydrophobicContact CE-CB 4.5Å; M1486-I1546 HydrophobicContact CE-CG2 3.47Å; M1486-I1546 VanDerWaalsContact CE-CG2 3.47Å; L1492-I1546 HydrophobicContact CB-CB 4.41Å; L1492-I1546 HydrophobicContact CB-CD1 3.99Å; L1492-I1546 HydrophobicContact CB-CG1 3.82Å; L1492-I1546 HydrophobicContact CB-CG2 4.15Å; L1492-I1546 HydrophobicContact CD1-CG1 4.14Å; R1493-I1546 HydrophobicContact CB-CD1 4.47Å; R1493-I1546 HydrophobicContact CG-CD1 3.22Å; Y1498-I1546 HydrophobicContact CD2-CD1 4.42Å; Y1498-I1546 HydrophobicContact CD2-CG2 3.73Å; Y1498-I1546 HydrophobicContact CE2-CD1 4.27Å; Y1498-I1546 HydrophobicContact CE2-CG2 4.32Å; T1542-I1546 HydrophobicContact CG2-CG1 4.03Å; T1542-I1546 WeakPolarHBondContact O-CB 3.34Å; T1542-I1546 WeakPolarHBondContact O-CG1 3.2Å; T1542-I1546 PolarHBondContact O-N 3.42Å; L1543-I1546 PolarHBondContact O-N 2.96Å; I1546-E1549 PolarHBondContact O-N 2.95Å; I1546-M1550 HydrophobicContact CG2-CG 4.43Å; I1546-M1550 HydrophobicContact CG2-SD 4.09Å; I1546-M1550 VanDerWaalsContact O-CG 3.32Å; I1546-M1550 WeakPolarHBondContact O-CG 3.29Å; I1546-M1550 PolarHBondContact O-N 3.39Å
1547Y95Very high93.2Very high0 Ų045.8 Ų45.80%024%0.244CC..Hα-helixtrans-63.2-42.5176.2-164.1-90.4000111.9L1455 V1458 Y1459 H1526 A1536 L1543 G1544 I1545 M1550 V1551L1455-Y1547 HydrophobicContact CB-CE2 3.68Å; L1455-Y1547 VanDerWaalsContact CB-OH 3.26Å; L1455-Y1547 WeakPolarHBondContact CB-OH 3.42Å; L1455-Y1547 HydrophobicContact CD1-CE1 4.28Å; L1455-Y1547 VanDerWaalsContact CD1-OH 3.28Å; L1455-Y1547 WeakPolarHBondContact CD1-OH 3.31Å; L1455-Y1547 WeakPolarHBondContact O-CE2 3.35Å; V1458-Y1547 HydrophobicContact CG2-CD2 3.59Å; V1458-Y1547 HydrophobicContact CG2-CE2 3.61Å; Y1459-Y1547 AromaticContact CD2-CD2 3.92Å; Y1459-Y1547 HydrophobicContact CD2-CD2 3.92Å; Y1459-Y1547 HydrophobicContact CD2-CE2 4.16Å; Y1459-Y1547 HydrophobicContact CD2-CG 4.16Å; Y1459-Y1547 AromaticContact CE2-CD2 3.83Å; Y1459-Y1547 HydrophobicContact CE2-CD2 3.83Å; Y1459-Y1547 AromaticContact CE2-CG 3.83Å; Y1459-Y1547 HydrophobicContact CE2-CG 3.83Å; H1526-Y1547 AromaticContact CE1-CZ 3.99Å; H1526-Y1547 PolarHBondContact CE1-OH 2.85Å; H1526-Y1547 AromaticContact ND1-CZ 3.65Å; H1526-Y1547 PolarHBondContact ND1-OH 3.09Å; A1536-Y1547 HydrophobicContact CB-CD1 3.42Å; A1536-Y1547 VanDerWaalsContact CB-CD1 3.42Å; A1536-Y1547 HydrophobicContact CB-CE1 4.22Å; A1536-Y1547 HydrophobicContact CB-CG 3.84Å; L1543-Y1547 WeakPolarHBondContact O-CB 3.29Å; L1543-Y1547 PolarHBondContact O-N 2.89Å; G1544-Y1547 PolarHBondContact O-N 3.32Å; I1545-Y1547 VanDerWaalsContact C-N 3.28Å; I1545-Y1547 PolarHBondContact O-N 3.3Å; Y1547-M1550 PolarHBondContact O-N 2.83Å; Y1547-V1551 HydrophobicContact CD1-CG2 4.07Å; Y1547-V1551 HydrophobicContact CE1-CG2 3.79Å; Y1547-V1551 WeakPolarHBondContact O-CG2 3.34Å; Y1547-V1551 PolarHBondContact O-N 3.46Å
1548M93.7Very high93.3Very high40 Ų4042.9 Ų42.920%0.19723%0.229CC..Hα-helixtrans-68.6-35.9176.1-66.3-168.1-79.700112.2L476 L1532 I1537 G1544 I1545 T1552L476-M1548 HydrophobicContact CD1-CE 4.46Å; L1532-M1548 HydrophobicContact CD2-CB 4.23Å; L1532-M1548 HydrophobicContact CD2-CG 3.81Å; I1537-M1548 HydrophobicContact CB-SD 4.41Å; I1537-M1548 HydrophobicContact CG1-SD 3.85Å; G1544-M1548 WeakPolarHBondContact O-CG 3.49Å; G1544-M1548 PolarHBondContact O-N 2.94Å; I1545-M1548 PolarHBondContact O-N 3Å; I1545-M1548 VanDerWaalsContact O-N 3.13Å; M1548-T1552 WeakPolarHBondContact O-CB 3.43Å; M1548-T1552 PolarHBondContact O-N 3.32Å; M1548-T1552 PolarHBondContact O-OG1 3.42Å
1549E95.4Very high93.1Very high52 Ų5236.4 Ų36.424%0.24320%0.203CC..Hα-helixtrans-59.9-50.3169.4-72.3172.4-171.200111R1493 Y1498 I1545 I1546 V1551 T1552 N1553R1493-E1549 IonicContact CZ-OE1 3.68Å; R1493-E1549 IonicContact CZ-OE2 3.38Å; R1493-E1549 IonicContact NE-OE1 3.84Å; R1493-E1549 IonicContact NE-OE2 2.87Å; R1493-E1549 PolarHBondContact NE-OE2 3.35Å; R1493-E1549 VanDerWaalsContact NH2-CD 3.3Å; R1493-E1549 IonicContact NH2-OE1 2.71Å; R1493-E1549 PolarHBondContact NH2-OE1 3.17Å; R1493-E1549 IonicContact NH2-OE2 3.09Å; R1493-E1549 PolarHBondContact NH2-OE2 3.11Å; R1493-E1549 VanDerWaalsContact NH2-OE2 3.09Å; Y1498-E1549 HydrophobicContact CE2-CB 4.05Å; Y1498-E1549 WeakPolarHBondContact CE2-OE2 3.24Å; Y1498-E1549 PolarHBondContact OH-OE2 3.14Å; I1545-E1549 PolarHBondContact O-N 3.41Å; I1546-E1549 PolarHBondContact O-N 2.95Å; E1549-V1551 PolarHBondContact O-N 3.13Å; E1549-T1552 PolarHBondContact O-N 3.3Å; E1549-T1552 VanDerWaalsContact O-N 3.15Å; E1549-N1553 WeakPolarHBondContact O-CB 3.37Å; E1549-N1553 PolarHBondContact O-N 2.78Å; E1549-N1553 PolarHBondContact O-ND2 3.02Å; E1549-N1553 PolarHBondContact O-OD1 3.1Å
1550M96.3Very high92.9Very high0 Ų039.5 Ų39.50%022%0.216CC..Hα-helixtrans-60.5-40.4179.2-73.5173.855.400113.6L1455 M1486 L1497 Y1498 I1546 Y1547 L1554L1455-M1550 HydrophobicContact CD2-CB 3.83Å; L1455-M1550 HydrophobicContact CD2-CE 4.28Å; M1486-M1550 HydrophobicContact CE-SD 3.64Å; M1486-M1550 HydrophobicContact SD-CE 4.14Å; M1486-M1550 HydrophobicContact SD-SD 3.76Å; L1497-M1550 HydrophobicContact CB-CE 3.84Å; Y1498-M1550 HydrophobicContact CD2-CG 3.73Å; Y1498-M1550 HydrophobicContact CD2-SD 4.39Å; Y1498-M1550 HydrophobicContact CG-CG 4.47Å; I1546-M1550 HydrophobicContact CG2-CG 4.43Å; I1546-M1550 HydrophobicContact CG2-SD 4.09Å; I1546-M1550 VanDerWaalsContact O-CG 3.32Å; I1546-M1550 WeakPolarHBondContact O-CG 3.29Å; I1546-M1550 PolarHBondContact O-N 3.39Å; Y1547-M1550 PolarHBondContact O-N 2.83Å; M1550-L1554 PolarHBondContact O-N 2.73Å
1551V94.8Very high92.7Very high1 Ų135.1 Ų35.11%0.00619%0.185CC..Hα-helixtrans-64.3-47.1173.8174.50000110.4L1455 L1532 Y1547 E1549 N1553 L1554 L1555L1455-V1551 HydrophobicContact CD1-CG2 3.49Å; L1455-V1551 VanDerWaalsContact CD1-CG2 3.49Å; L1455-V1551 HydrophobicContact CD2-CG2 3.89Å; L1455-V1551 HydrophobicContact CG-CG2 4.34Å; L1532-V1551 HydrophobicContact CD2-CB 3.88Å; L1532-V1551 HydrophobicContact CD2-CG1 3.82Å; L1532-V1551 HydrophobicContact CD2-CG2 4.1Å; L1532-V1551 HydrophobicContact CG-CB 4.44Å; L1532-V1551 HydrophobicContact CG-CG1 3.82Å; Y1547-V1551 HydrophobicContact CD1-CG2 4.07Å; Y1547-V1551 HydrophobicContact CE1-CG2 3.79Å; Y1547-V1551 WeakPolarHBondContact O-CG2 3.34Å; Y1547-V1551 PolarHBondContact O-N 3.46Å; E1549-V1551 PolarHBondContact O-N 3.13Å; V1551-N1553 PolarHBondContact O-N 3.3Å; V1551-L1554 PolarHBondContact O-N 3.28Å; V1551-L1555 HydrophobicContact CG1-CD1 3.56Å; V1551-L1555 HydrophobicContact CG1-CG 4.04Å; V1551-L1555 WeakPolarHBondContact O-CG 3.48Å; V1551-L1555 PolarHBondContact O-N 2.92Å
1552T94.1Very high92.2Very high36 Ų3639.9 Ų39.922%0.22121%0.212CC..Hα-helixtrans-60.6-45.8-179.7-56.60000111.2M473 M1548 E1549 L1554 L1555 Q1556M473-T1552 HydrophobicContact CE-CG2 4.1Å; M1548-T1552 WeakPolarHBondContact O-CB 3.43Å; M1548-T1552 PolarHBondContact O-N 3.32Å; M1548-T1552 PolarHBondContact O-OG1 3.42Å; E1549-T1552 PolarHBondContact O-N 3.3Å; E1549-T1552 VanDerWaalsContact O-N 3.15Å; T1552-L1554 VanDerWaalsContact C-N 3.27Å; T1552-L1554 PolarHBondContact O-N 3.48Å; T1552-L1555 PolarHBondContact O-N 3.14Å; T1552-Q1556 WeakPolarHBondContact O-CB 3.39Å; T1552-Q1556 PolarHBondContact O-N 3.34Å
1553N95Very high91.9Very high37 Ų3741.5 Ų41.520%0.19821%0.209CC..Hα-helixtrans-55.4-39.8178.6-68.1-24.1000112.7S1501 E1549 V1551 R1557S1501-N1553 WeakPolarHBondContact O-CB 3.33Å; S1501-N1553 PolarHBondContact OG-ND2 2.91Å; E1549-N1553 WeakPolarHBondContact O-CB 3.37Å; E1549-N1553 PolarHBondContact O-N 2.78Å; E1549-N1553 PolarHBondContact O-ND2 3.02Å; E1549-N1553 PolarHBondContact O-OD1 3.1Å; V1551-N1553 PolarHBondContact O-N 3.3Å; N1553-R1557 PolarHBondContact O-NH1 2.78Å; N1553-R1557 VanDerWaalsContact O-NH1 3.08Å
1554L94.3Very high91.9Very high5 Ų539.6 Ų39.63%0.02620%0.199CC..Hα-helixtrans-79.6-47.1179.6-66.9173.2000112.2L1455 L1506 I1530 M1550 V1551 T1552 Q1556 R1557L1455-L1554 HydrophobicContact CD2-CD1 3.94Å; L1506-L1554 HydrophobicContact CD1-CD2 4.3Å; I1530-L1554 HydrophobicContact CD1-CD1 4.35Å; I1530-L1554 HydrophobicContact CG2-CB 3.85Å; I1530-L1554 HydrophobicContact CG2-CD1 3.9Å; M1550-L1554 PolarHBondContact O-N 2.73Å; V1551-L1554 PolarHBondContact O-N 3.28Å; T1552-L1554 VanDerWaalsContact C-N 3.27Å; T1552-L1554 PolarHBondContact O-N 3.48Å; L1554-Q1556 PolarHBondContact O-N 3.31Å; L1554-R1557 PolarHBondContact O-N 3.42Å
1555L92.7Very high91.9Very high2 Ų240.8 Ų40.81%0.0121%0.207CC..Hα-helixtrans-68.2-33.7-177.9-65.2-174.9000112.8L373 L374 I1530 V1551 T1552 R1557 F1558 I1559L373-L1555 HydrophobicContact CB-CD2 4.39Å; L373-L1555 VanDerWaalsContact O-CD1 3.31Å; L373-L1555 WeakPolarHBondContact O-CD1 3.27Å; L374-L1555 HydrophobicContact CD2-CB 4.1Å; L374-L1555 HydrophobicContact CD2-CD1 4.04Å; I1530-L1555 HydrophobicContact CG2-CD2 3.98Å; I1530-L1555 HydrophobicContact CG2-CG 4.33Å; V1551-L1555 HydrophobicContact CG1-CD1 3.56Å; V1551-L1555 HydrophobicContact CG1-CG 4.04Å; V1551-L1555 WeakPolarHBondContact O-CG 3.48Å; V1551-L1555 PolarHBondContact O-N 2.92Å; T1552-L1555 PolarHBondContact O-N 3.14Å; L1555-R1557 VanDerWaalsContact C-N 3.32Å; L1555-R1557 PolarHBondContact O-N 3.07Å; L1555-F1558 HydrophobicContact CD2-CD2 3.98Å; L1555-F1558 HydrophobicContact CD2-CE2 4.4Å; L1555-F1558 PolarHBondContact O-N 2.85Å; L1555-I1559 WeakPolarHBondContact O-CD1 3.29Å; L1555-I1559 VanDerWaalsContact O-CG1 3.31Å; L1555-I1559 WeakPolarHBondContact O-CG1 3.44Å; L1555-I1559 PolarHBondContact O-N 3.47Å
1556Q90.6Very high91.9Very high90 Ų9037 Ų3742%0.42119%0.187SC..Hα-helixtrans-61.2-38.6178.1-177.4172.2-8.200112.2T1552 L1554 I1559 Q1560T1552-Q1556 WeakPolarHBondContact O-CB 3.39Å; T1552-Q1556 PolarHBondContact O-N 3.34Å; L1554-Q1556 PolarHBondContact O-N 3.31Å; Q1556-I1559 PolarHBondContact O-N 2.82Å; Q1556-Q1560 HydrophobicContact CG-CG 4.39Å; Q1556-Q1560 VanDerWaalsContact NE2-NE2 3.19Å; Q1556-Q1560 WeakPolarHBondContact O-CB 3.27Å; Q1556-Q1560 VanDerWaalsContact O-CG 3.26Å; Q1556-Q1560 WeakPolarHBondContact O-CG 3.47Å; Q1556-Q1560 PolarHBondContact O-N 3.27Å
1557R89.2Confident91.9Very high40 Ų4037 Ų3715%0.15119%0.187CC..Hα-helixtrans-67.6-37.8176.3-60.8-167.1-16080.119.8112.4S1501 T1502 S1503 D1507 N1553 L1554 L1555 I1559 Q1560 S1561S1501-R1557 VanDerWaalsContact O-CZ 3.32Å; S1501-R1557 PolarHBondContact O-NH1 2.89Å; S1501-R1557 PolarHBondContact O-NH2 3.45Å; T1502-R1557 VanDerWaalsContact CA-NH2 3.31Å; T1502-R1557 PolarHBondContact O-NH2 3.02Å; S1503-R1557 PolarHBondContact O-NH1 2.98Å; S1503-R1557 PolarHBondContact O-NH2 2.88Å; D1507-R1557 HydrophobicContact CB-CB 3.82Å; D1507-R1557 WeakPolarHBondContact OD1-CD 3.49Å; N1553-R1557 PolarHBondContact O-NH1 2.78Å; N1553-R1557 VanDerWaalsContact O-NH1 3.08Å; L1554-R1557 PolarHBondContact O-N 3.42Å; L1555-R1557 VanDerWaalsContact C-N 3.32Å; L1555-R1557 PolarHBondContact O-N 3.07Å; R1557-I1559 VanDerWaalsContact C-N 3.32Å; R1557-I1559 PolarHBondContact O-N 3.44Å; R1557-Q1560 PolarHBondContact O-N 3.1Å; R1557-S1561 WeakPolarHBondContact O-CB 3.4Å; R1557-S1561 PolarHBondContact O-N 3.06Å
1558F90Very high91.9Very high2 Ų237.1 Ų37.11%0.00919%0.188CC..Hα-helixtrans-63.4-37.6172.3-61.5-39.5000112.6L373 L1506 V1512 I1530 L1555 Q1560 T1564 V1566L373-F1558 HydrophobicContact CD1-CB 3.98Å; L1506-F1558 HydrophobicContact CB-CE1 3.59Å; L1506-F1558 HydrophobicContact CB-CZ 3.81Å; L1506-F1558 HydrophobicContact CD1-CZ 3.9Å; V1512-F1558 HydrophobicContact CB-CE1 4.42Å; V1512-F1558 HydrophobicContact CG1-CE1 4.29Å; V1512-F1558 HydrophobicContact CG1-CZ 4.05Å; V1512-F1558 HydrophobicContact CG2-CE1 4.08Å; I1530-F1558 HydrophobicContact CD1-CE2 4.13Å; I1530-F1558 HydrophobicContact CD1-CZ 4.37Å; L1555-F1558 HydrophobicContact CD2-CD2 3.98Å; L1555-F1558 HydrophobicContact CD2-CE2 4.4Å; L1555-F1558 PolarHBondContact O-N 2.85Å; F1558-Q1560 VanDerWaalsContact C-N 3.32Å; F1558-T1564 HydrophobicContact CD1-CG2 4.18Å; F1558-T1564 HydrophobicContact CE1-CG2 4.47Å; F1558-V1566 HydrophobicContact CB-CG2 3.77Å; F1558-V1566 HydrophobicContact CD1-CG2 3.64Å; F1558-V1566 HydrophobicContact CD2-CG2 3.88Å; F1558-V1566 HydrophobicContact CE1-CG2 4.13Å; F1558-V1566 HydrophobicContact CE2-CG2 4.35Å; F1558-V1566 HydrophobicContact CG-CG2 3.5Å; F1558-V1566 HydrophobicContact CZ-CG2 4.47Å
1559I87.6Confident92Very high39 Ų3935.2 Ų35.220%0.218%0.178CC..Hα-helixtrans-70.4-29.8177-67.6162.4000111.8L370 L373 L374 Y470 L1555 Q1556 R1557L370-I1559 HydrophobicContact CG-CG1 4.23Å; L373-I1559 HydrophobicContact CD1-CG1 4.28Å; L374-I1559 HydrophobicContact CD1-CD1 3.92Å; L374-I1559 HydrophobicContact CD2-CD1 3.71Å; L374-I1559 HydrophobicContact CG-CD1 3.76Å; Y470-I1559 HydrophobicContact CE1-CG2 4.49Å; L1555-I1559 WeakPolarHBondContact O-CD1 3.29Å; L1555-I1559 VanDerWaalsContact O-CG1 3.31Å; L1555-I1559 WeakPolarHBondContact O-CG1 3.44Å; L1555-I1559 PolarHBondContact O-N 3.47Å; Q1556-I1559 PolarHBondContact O-N 2.82Å; R1557-I1559 VanDerWaalsContact C-N 3.32Å; R1557-I1559 PolarHBondContact O-N 3.44Å
1560Q87.2Confident91.9Very high109 Ų10932.8 Ų32.851%0.50917%0.167SC..Hα-helixtrans-87.4-23.2179.1-71.2174.4-21.900113.9Q1556 R1557 F1558 T1562Q1556-Q1560 HydrophobicContact CG-CG 4.39Å; Q1556-Q1560 VanDerWaalsContact NE2-NE2 3.19Å; Q1556-Q1560 WeakPolarHBondContact O-CB 3.27Å; Q1556-Q1560 VanDerWaalsContact O-CG 3.26Å; Q1556-Q1560 WeakPolarHBondContact O-CG 3.47Å; Q1556-Q1560 PolarHBondContact O-N 3.27Å; R1557-Q1560 PolarHBondContact O-N 3.1Å; F1558-Q1560 VanDerWaalsContact C-N 3.32Å; Q1560-T1562 PolarHBondContact O-N 3.39Å
1561S86.5Confident91.8Very high26 Ų2632.8 Ų32.818%0.18217%0.167CC..  trans-72.1126.8179.9-177.30000112D1507 R1557 R1563 T1564D1507-S1561 PolarHBondContact O-OG 3.42Å; R1557-S1561 WeakPolarHBondContact O-CB 3.4Å; R1557-S1561 PolarHBondContact O-N 3.06Å; S1561-R1563 VanDerWaalsContact C-N 3.34Å; S1561-R1563 PolarHBondContact OG-N 3.37Å; S1561-T1564 WeakPolarHBondContact OG-CB 3.44Å; S1561-T1564 PolarHBondContact OG-N 3.31Å; S1561-T1564 VanDerWaalsContact OG-N 3.07Å; S1561-T1564 PolarHBondContact OG-OG1 2.95Å
1562T83.9Confident91.7Very high152 Ų15233 Ų3393%0.93317%0.168SC*.SBendtrans-86.6-5.6171.655.30000113.2Q1560Q1560-T1562 PolarHBondContact O-N 3.39Å
1563R88Confident91.5Very high115 Ų11532.1 Ų32.143%0.43416%0.161SC..SBendtrans-107.9-29.9-176171.5174167.1160.7-5.3113.2S1442 L1444 L1508 S1561S1442-R1563 PolarHBondContact O-NH1 2.83Å; S1442-R1563 PolarHBondContact O-NH2 2.88Å; L1444-R1563 PolarHBondContact O-NH2 3.1Å; L1508-R1563 PolarHBondContact O-NE 3.09Å; S1561-R1563 VanDerWaalsContact C-N 3.34Å; S1561-R1563 PolarHBondContact OG-N 3.37Å
1564T92.6Very high91.1Very high7 Ų733.6 Ų33.64%0.04317%0.168CC..PPolyproline II helixtrans-89119.5-170.9-49.70000111.9D1507 F1509 R1510 V1512 F1558 S1561 V1566D1507-T1564 PolarHBondContact O-OG1 3.28Å; F1509-T1564 WeakPolarHBondContact O-CA 3.36Å; F1509-T1564 WeakPolarHBondContact O-CB 3.44Å; F1509-T1564 WeakPolarHBondContact O-CG2 3.47Å; F1509-T1564 PolarHBondContact O-OG1 3.13Å; R1510-T1564 WeakPolarHBondContact O-CA 3.04Å; V1512-T1564 HydrophobicContact CB-CG2 4.29Å; V1512-T1564 HydrophobicContact CG2-CG2 3.76Å; F1558-T1564 HydrophobicContact CD1-CG2 4.18Å; F1558-T1564 HydrophobicContact CE1-CG2 4.47Å; S1561-T1564 WeakPolarHBondContact OG-CB 3.44Å; S1561-T1564 PolarHBondContact OG-N 3.31Å; S1561-T1564 VanDerWaalsContact OG-N 3.07Å; S1561-T1564 PolarHBondContact OG-OG1 2.95Å; T1564-V1566 HydrophobicContact CG2-CG2 4.19Å
1565T93.8Very high90.4Very high25 Ų2535.6 Ų35.615%0.15318%0.179CC..EExtended strand (participates in β ladder)trans-91.4125.4160-58.90000108.9I424 L426 R1510 Y1511 V1512 V1567I424-T1565 HydrophobicContact CG2-CG2 3.94Å; L426-T1565 HydrophobicContact CD2-CG2 3.76Å; R1510-T1565 PolarHBondContact O-N 2.85Å; Y1511-T1565 WeakPolarHBondContact CA-O 3.36Å; V1512-T1565 PolarHBondContact N-O 3.28Å; T1565-V1567 HydrophobicContact CG2-CG2 4.19Å
1566V94.9Very high89.7Confident0 Ų040.6 Ų40.60%021%0.21CC..EExtended strand (participates in β ladder)trans-96.7136.4175-1790000109.1L373 F425 F1558 T1564L373-V1566 HydrophobicContact CD2-CB 4.29Å; L373-V1566 HydrophobicContact CD2-CG1 3.97Å; F425-V1566 HydrophobicContact CB-CB 4.41Å; F425-V1566 HydrophobicContact CD2-CG1 4.45Å; F425-V1566 PolarHBondContact N-O 3.37Å; F1558-V1566 HydrophobicContact CB-CG2 3.77Å; F1558-V1566 HydrophobicContact CD1-CG2 3.64Å; F1558-V1566 HydrophobicContact CD2-CG2 3.88Å; F1558-V1566 HydrophobicContact CE1-CG2 4.13Å; F1558-V1566 HydrophobicContact CE2-CG2 4.35Å; F1558-V1566 HydrophobicContact CG-CG2 3.5Å; F1558-V1566 HydrophobicContact CZ-CG2 4.47Å; T1564-V1566 HydrophobicContact CG2-CG2 4.19Å
1567V95Very high89.1Confident0 Ų044.3 Ų44.30%023%0.232CC..EExtended strand (participates in β ladder)trans-132.3123.6179-170.60000108.6E422 D423 I424 V1512 L1513 L1514 T1565 Y1569 Y1609E422-V1567 HydrophobicContact CG-CG1 3.5Å; D423-V1567 CarbonylContact O-C 3.44Å; D423-V1567 VanDerWaalsContact O-CA 3.28Å; D423-V1567 WeakPolarHBondContact O-CA 3.39Å; I424-V1567 HydrophobicContact CG1-CG1 4.39Å; I424-V1567 HydrophobicContact CG2-CG2 4.39Å; V1512-V1567 PolarHBondContact O-N 3.31Å; L1513-V1567 WeakPolarHBondContact CA-O 3.44Å; L1513-V1567 HydrophobicContact CD2-CB 3.7Å; L1513-V1567 HydrophobicContact CD2-CG1 4.45Å; L1513-V1567 HydrophobicContact CD2-CG2 3.68Å; L1514-V1567 PolarHBondContact N-O 3.44Å; T1565-V1567 HydrophobicContact CG2-CG2 4.19Å; V1567-Y1569 HydrophobicContact CB-CE2 4.32Å; V1567-Y1569 HydrophobicContact CG1-CD2 4.14Å; V1567-Y1569 HydrophobicContact CG1-CE2 3.64Å; V1567-Y1609 HydrophobicContact CG2-CE1 3.92Å; V1567-Y1609 HydrophobicContact CG2-CE2 4.46Å
1568R94.9Very high88.6Confident2 Ų244.7 Ų44.71%0.00824%0.241CC..EExtended strand (participates in β ladder)trans-103.5130.9171.8-63.3174.2176.5146.24.5108.9L373 D423 F425 L1514 R1529 I1530 E1531L373-R1568 PolarHBondContact O-NH1 2.8Å; L373-R1568 PolarHBondContact O-NH2 3.36Å; L373-R1568 VanDerWaalsContact O-NH2 3.12Å; D423-R1568 HydrophobicContact CB-CB 4.2Å; D423-R1568 PolarHBondContact N-O 3.21Å; D423-R1568 PolarHBondContact O-N 2.78Å; F425-R1568 HydrophobicContact CE2-CB 4.04Å; F425-R1568 HydrophobicContact CE2-CG 3.75Å; L1514-R1568 HydrophobicContact CB-CG 4.42Å; L1514-R1568 HydrophobicContact CD1-CG 4.39Å; L1514-R1568 CarbonylContact O-C 3.6Å; L1514-R1568 WeakPolarHBondContact O-CA 3.3Å; R1529-R1568 HydrophobicContact CB-CG 4.38Å; R1529-R1568 HydrophobicContact CG-CB 4.33Å; R1529-R1568 HydrophobicContact CG-CG 4.4Å; R1529-R1568 PolarHBondContact O-NE 2.99Å; I1530-R1568 PolarHBondContact O-NH2 3.22Å; E1531-R1568 WeakPolarHBondContact OE1-CD 3.37Å; E1531-R1568 IonicContact OE1-CZ 3.44Å; E1531-R1568 VanDerWaalsContact OE1-CZ 3.22Å; E1531-R1568 IonicContact OE1-NE 3.6Å; E1531-R1568 PolarHBondContact OE1-NE 3.27Å; E1531-R1568 IonicContact OE1-NH1 3.55Å; E1531-R1568 PolarHBondContact OE1-NH1 3.47Å
1569Y95.2Very high87.7Confident0 Ų047.9 Ų47.90%027%0.268CS..EExtended strand (participates in β ladder)trans-109.1137.8172.6-66.7-90.1000110.6F363 I420 F421 E422 L1513 L1514 V1515 G1516 V1567 F1601 S1605 Y1609F363-Y1569 HydrophobicContact CE1-CD1 4.46Å; F363-Y1569 HydrophobicContact CE1-CE1 4.15Å; F363-Y1569 HydrophobicContact CZ-CD1 4.31Å; F363-Y1569 AromaticContact CZ-CE1 3.9Å; F363-Y1569 HydrophobicContact CZ-CE1 3.9Å; I420-Y1569 HydrophobicContact CG2-CD1 4.12Å; F421-Y1569 VanDerWaalsContact O-CA 3.27Å; F421-Y1569 WeakPolarHBondContact O-CA 3.5Å; E422-Y1569 HydrophobicContact CB-CD1 3.84Å; E422-Y1569 HydrophobicContact CB-CE1 3.67Å; E422-Y1569 HydrophobicContact CG-CD1 4.04Å; E422-Y1569 HydrophobicContact CG-CE1 3.49Å; E422-Y1569 VanDerWaalsContact CG-CE1 3.49Å; L1513-Y1569 HydrophobicContact CB-CE2 4.18Å; L1513-Y1569 HydrophobicContact CD2-CE2 4.36Å; L1514-Y1569 PolarHBondContact O-N 2.93Å; V1515-Y1569 HydrophobicContact CG2-CD2 3.91Å; V1515-Y1569 HydrophobicContact CG2-CG 4.32Å; G1516-Y1569 PolarHBondContact N-O 3.36Å; V1567-Y1569 HydrophobicContact CB-CE2 4.32Å; V1567-Y1569 HydrophobicContact CG1-CD2 4.14Å; V1567-Y1569 HydrophobicContact CG1-CE2 3.64Å; Y1569-F1601 HydrophobicContact CD1-CD2 4.41Å; Y1569-F1601 AromaticContact CD1-CE2 3.87Å; Y1569-F1601 HydrophobicContact CD1-CE2 3.87Å; Y1569-F1601 AromaticContact CD2-CE2 3.91Å; Y1569-F1601 HydrophobicContact CD2-CE2 3.91Å; Y1569-F1601 HydrophobicContact CD2-CZ 4.39Å; Y1569-F1601 HydrophobicContact CE1-CD2 4.35Å; Y1569-F1601 AromaticContact CE1-CE2 3.74Å; Y1569-F1601 HydrophobicContact CE1-CE2 3.74Å; Y1569-F1601 AromaticContact CE2-CE2 3.8Å; Y1569-F1601 HydrophobicContact CE2-CE2 3.8Å; Y1569-F1601 HydrophobicContact CE2-CZ 4.14Å; Y1569-F1601 AromaticContact CG-CE2 3.92Å; Y1569-F1601 HydrophobicContact CG-CE2 3.92Å; Y1569-F1601 AromaticContact CZ-CE2 3.68Å; Y1569-S1605 PolarHBondContact OH-OG 2.91Å; Y1569-Y1609 WeakPolarHBondContact OH-CE2 3.23Å
1570D93.2Very high87.2Confident0 Ų049.7 Ų49.70%028%0.278CS..EExtended strand (participates in β ladder)trans-119.9118.6177.2-17510.9000109.7H384 I420 F421 P1518 Y1525 H1572H384-D1570 WeakPolarHBondContact CB-OD2 3.44Å; H384-D1570 IonicContact CG-OD2 2.69Å; H384-D1570 IonicContact ND1-OD2 2.76Å; H384-D1570 PolarHBondContact ND1-OD2 2.98Å; I420-D1570 WeakPolarHBondContact CA-O 3.2Å; F421-D1570 HydrophobicContact CB-CB 4.33Å; F421-D1570 PolarHBondContact N-O 3.26Å; F421-D1570 PolarHBondContact O-N 3.27Å; P1518-D1570 WeakPolarHBondContact CD-OD1 3.21Å; Y1525-D1570 PolarHBondContact OH-OD1 2.7Å; Y1525-D1570 PolarHBondContact OH-OD2 3.19Å; D1570-H1572 IonicContact OD1-CD2 2.82Å; D1570-H1572 IonicContact OD1-CE1 3.22Å; D1570-H1572 IonicContact OD1-NE2 2.75Å; D1570-H1572 PolarHBondContact OD1-NE2 3.08Å; D1570-H1572 IonicContact OD2-CD2 3.84Å; D1570-H1572 IonicContact OD2-CE1 2.81Å; D1570-H1572 IonicContact OD2-NE2 2.79Å; D1570-H1572 PolarHBondContact OD2-NE2 3.15Å
1571V94.3Very high86.6Confident1 Ų146 Ų461%0.00626%0.263CS..EExtended strand (participates in β ladder)trans-115.7111.9-168.5-172.60000111.4P418 I420 V1515 G1516 S1517 Q1519 Y1573 F1597P418-V1571 HydrophobicContact CB-CG1 4.49Å; I420-V1571 HydrophobicContact CG1-CG1 4.45Å; V1515-V1571 HydrophobicContact CG1-CG2 3.81Å; G1516-V1571 PolarHBondContact O-N 2.98Å; S1517-V1571 VanDerWaalsContact CB-O 3.31Å; S1517-V1571 WeakPolarHBondContact CB-O 3.37Å; S1517-V1571 PolarHBondContact OG-O 3.23Å; Q1519-V1571 PolarHBondContact OE1-O 2.82Å; Q1519-V1571 VanDerWaalsContact OE1-O 3.12Å; V1571-Y1573 HydrophobicContact CB-CE2 4.16Å; V1571-Y1573 HydrophobicContact CG1-CD1 4.32Å; V1571-Y1573 HydrophobicContact CG1-CD2 4.05Å; V1571-Y1573 HydrophobicContact CG1-CE1 3.85Å; V1571-Y1573 HydrophobicContact CG1-CE2 3.56Å; V1571-Y1573 HydrophobicContact CG1-CG 4.4Å; V1571-Y1573 VanDerWaalsContact CG1-CZ 3.44Å; V1571-F1597 HydrophobicContact CB-CE2 4.27Å; V1571-F1597 HydrophobicContact CG1-CD2 3.69Å; V1571-F1597 HydrophobicContact CG1-CE2 3.57Å; V1571-F1597 HydrophobicContact CG1-CZ 4.45Å; V1571-F1597 HydrophobicContact CG2-CE2 3.64Å; V1571-F1597 HydrophobicContact CG2-CZ 4.11Å
1572H93.1Very high85.9Confident5 Ų551.1 Ų51.12%0.02329%0.287CS..EExtended strand (participates in β ladder)trans-105.490-177.5-70-87.8000111.5E385 A388 I419 F421 Q1519 D1570E385-H1572 VanDerWaalsContact CA-CE1 3.49Å; E385-H1572 WeakPolarHBondContact CA-CE1 3.26Å; A388-H1572 HydrophobicContact CB-CB 3.77Å; I419-H1572 HydrophobicContact CB-CB 4.33Å; I419-H1572 PolarHBondContact N-O 3.44Å; I419-H1572 VanDerWaalsContact N-O 3.09Å; I419-H1572 PolarHBondContact O-N 2.78Å; F421-H1572 AromaticContact CE2-CD2 3.99Å; Q1519-H1572 PolarHBondContact NE2-ND1 3.27Å; D1570-H1572 IonicContact OD1-CD2 2.82Å; D1570-H1572 IonicContact OD1-CE1 3.22Å; D1570-H1572 IonicContact OD1-NE2 2.75Å; D1570-H1572 PolarHBondContact OD1-NE2 3.08Å; D1570-H1572 IonicContact OD2-CD2 3.84Å; D1570-H1572 IonicContact OD2-CE1 2.81Å; D1570-H1572 IonicContact OD2-NE2 2.79Å; D1570-H1572 PolarHBondContact OD2-NE2 3.15Å
1573Y90.1Very high85.7Confident18 Ų1847.2 Ų47.27%0.07126%0.26CS..  trans-74.7145.9176.1-58.2-82.4000112.5P418 S1517 V1571 L1575 A1587 A1590 V1591 F1597P418-Y1573 HydrophobicContact CB-CD1 4.16Å; S1517-Y1573 WeakPolarHBondContact OG-CD2 3.34Å; V1571-Y1573 HydrophobicContact CB-CE2 4.16Å; V1571-Y1573 HydrophobicContact CG1-CD1 4.32Å; V1571-Y1573 HydrophobicContact CG1-CD2 4.05Å; V1571-Y1573 HydrophobicContact CG1-CE1 3.85Å; V1571-Y1573 HydrophobicContact CG1-CE2 3.56Å; V1571-Y1573 HydrophobicContact CG1-CG 4.4Å; V1571-Y1573 VanDerWaalsContact CG1-CZ 3.44Å; Y1573-L1575 HydrophobicContact CG-CD2 4.43Å; Y1573-L1575 HydrophobicContact CG-CG 4.49Å; Y1573-L1575 PolarHBondContact O-N 2.81Å; Y1573-A1587 HydrophobicContact CD2-CB 4.28Å; Y1573-A1587 HydrophobicContact CE2-CB 4.48Å; Y1573-A1590 HydrophobicContact CD1-CB 3.94Å; Y1573-A1590 HydrophobicContact CD2-CB 4.44Å; Y1573-A1590 HydrophobicContact CE1-CB 3.54Å; Y1573-A1590 HydrophobicContact CE2-CB 4.08Å; Y1573-A1590 HydrophobicContact CG-CB 4.37Å; Y1573-V1591 VanDerWaalsContact OH-CA 3.32Å; Y1573-V1591 WeakPolarHBondContact OH-CA 3.45Å; Y1573-V1591 PolarHBondContact OH-N 2.86Å; Y1573-F1597 HydrophobicContact CE1-CB 3.96Å; Y1573-F1597 HydrophobicContact CE1-CD2 4.18Å; Y1573-F1597 AromaticContact CE1-CG 3.93Å; Y1573-F1597 HydrophobicContact CE1-CG 3.93Å
1574N85.4Confident85.2Confident67 Ų6741.8 Ų41.836%0.35824%0.24SC..  trans-99.277.9168.5-162.14000110.1R392 T415R392-N1574 PolarHBondContact NE-ND2 3Å; T415-N1574 WeakPolarHBondContact O-CB 3.33Å; T415-N1574 PolarHBondContact O-ND2 2.95Å
1575L80.7Confident84.9Confident48 Ų4846.2 Ų46.225%0.25126%0.256SS..  trans-85.7134.3-174.6-59.9173.1000110.7Y1573 T1581 A1586 A1587Y1573-L1575 HydrophobicContact CG-CD2 4.43Å; Y1573-L1575 HydrophobicContact CG-CG 4.49Å; Y1573-L1575 PolarHBondContact O-N 2.81Å; L1575-T1581 HydrophobicContact CB-CG2 3.59Å; L1575-T1581 HydrophobicContact CD1-CG2 4.24Å; L1575-A1586 HydrophobicContact CD1-CB 3.89Å; L1575-A1587 HydrophobicContact CD1-CB 3.96Å
1576T78Confident84.4Confident106 Ų10646.1 Ų46.165%0.6526%0.257SS*.  trans-63.3143.7175.355.80000110.9S1578 T1581T1576-S1578 PolarHBondContact O-N 3.15Å; T1576-T1581 WeakPolarHBondContact O-CB 3.43Å; T1576-T1581 PolarHBondContact O-OG1 3.34Å
1577N77.3Confident84.1Confident168 Ų16846.1 Ų46.190%0.89826%0.257SS*.SBendtrans-62.9111.2179.6-80.1-28.9000110.8
1578S79.3Confident83.9Confident49 Ų4946.8 Ų46.834%0.34326%0.26SS..  trans-146.8166.3-177.984.90000110.5T1576 N1580 T1581 L1582T1576-S1578 PolarHBondContact O-N 3.15Å; S1578-N1580 VanDerWaalsContact C-N 3.29Å; S1578-N1580 PolarHBondContact O-N 2.87Å; S1578-N1580 PolarHBondContact OG-N 3.24Å; S1578-T1581 PolarHBondContact N-OG1 2.76Å; S1578-T1581 WeakPolarHBondContact O-CB 3.15Å; S1578-T1581 PolarHBondContact O-N 2.9Å; S1578-T1581 VanDerWaalsContact O-N 3.09Å; S1578-T1581 PolarHBondContact OG-N 3.36Å; S1578-T1581 VanDerWaalsContact OG-N 3.09Å; S1578-T1581 PolarHBondContact OG-OG1 2.85Å; S1578-L1582 PolarHBondContact O-N 3.15Å
1579A70.3Confident83.6Confident68 Ų6849.2 Ų49.256%0.56227%0.273SS*.Hα-helixtrans-60-38.7173.300000112.3T1581 L1582 I1583A1579-T1581 VanDerWaalsContact C-N 3.26Å; A1579-T1581 PolarHBondContact O-N 2.78Å; A1579-L1582 PolarHBondContact O-N 3.38Å; A1579-I1583 WeakPolarHBondContact O-CD1 3.38Å; A1579-I1583 VanDerWaalsContact O-CG1 3.23Å; A1579-I1583 WeakPolarHBondContact O-CG1 3.27Å; A1579-I1583 PolarHBondContact O-N 3.34Å; A1579-I1583 VanDerWaalsContact O-N 3.08Å
1580N78.1Confident83.3Confident78 Ų7849.4 Ų49.442%0.41728%0.275SS..Hα-helixtrans-64.4-32.6175-68.6-24000111.8S1578 G1584 R1585 A1586S1578-N1580 VanDerWaalsContact C-N 3.29Å; S1578-N1580 PolarHBondContact O-N 2.87Å; S1578-N1580 PolarHBondContact OG-N 3.24Å; N1580-G1584 CarbonylContact O-C 3.53Å; N1580-G1584 PolarHBondContact O-N 3.2Å; N1580-R1585 HydrophobicContact CB-CB 4.43Å; N1580-R1585 PolarHBondContact O-N 2.56Å; N1580-A1586 HydrophobicContact CB-CB 4.05Å; N1580-A1586 PolarHBondContact O-N 2.89Å
1581T75Confident83.2Confident30 Ų3049.6 Ų49.618%0.18428%0.275CS..Hα-helixtrans-74.4-43.7177.8-41.80000111.2L1575 T1576 S1578 A1579 I1583 G1584L1575-T1581 HydrophobicContact CB-CG2 3.59Å; L1575-T1581 HydrophobicContact CD1-CG2 4.24Å; T1576-T1581 WeakPolarHBondContact O-CB 3.43Å; T1576-T1581 PolarHBondContact O-OG1 3.34Å; S1578-T1581 PolarHBondContact N-OG1 2.76Å; S1578-T1581 WeakPolarHBondContact O-CB 3.15Å; S1578-T1581 PolarHBondContact O-N 2.9Å; S1578-T1581 VanDerWaalsContact O-N 3.09Å; S1578-T1581 PolarHBondContact OG-N 3.36Å; S1578-T1581 VanDerWaalsContact OG-N 3.09Å; S1578-T1581 PolarHBondContact OG-OG1 2.85Å; A1579-T1581 VanDerWaalsContact C-N 3.26Å; A1579-T1581 PolarHBondContact O-N 2.78Å; T1581-I1583 VanDerWaalsContact C-N 3.31Å; T1581-I1583 PolarHBondContact O-N 2.64Å; T1581-G1584 PolarHBondContact O-N 3.44Å
1582L70.4Confident83Confident134 Ų13450.5 Ų50.570%0.70228%0.28SS*.Hα-helixtrans-62.3-37.6178-174.466.9000112.3R1521 S1578 A1579 G1584R1521-L1582 WeakPolarHBondContact CD-O 3.25Å; S1578-L1582 PolarHBondContact O-N 3.15Å; A1579-L1582 PolarHBondContact O-N 3.38Å; L1582-G1584 VanDerWaalsContact C-N 3.27Å
1583I80Confident82.7Confident71 Ų7155 Ų5536%0.36431%0.305SS..THydrogen-bonded Turntrans-897.3177.2-47.4163.2000110.6I1465 Y1522 A1579 T1581 R1585I1465-I1583 HydrophobicContact CD1-CG2 3.75Å; I1465-I1583 WeakPolarHBondContact CD1-O 3.31Å; I1465-I1583 HydrophobicContact CG1-CG2 3.71Å; Y1522-I1583 HydrophobicContact CE1-CG2 4.22Å; Y1522-I1583 WeakPolarHBondContact CE1-O 3.5Å; A1579-I1583 WeakPolarHBondContact O-CD1 3.38Å; A1579-I1583 VanDerWaalsContact O-CG1 3.23Å; A1579-I1583 WeakPolarHBondContact O-CG1 3.27Å; A1579-I1583 PolarHBondContact O-N 3.34Å; A1579-I1583 VanDerWaalsContact O-N 3.08Å; T1581-I1583 VanDerWaalsContact C-N 3.31Å; T1581-I1583 PolarHBondContact O-N 2.64Å; I1583-R1585 PolarHBondContact O-N 3.32Å
1584G78.5Confident82.6Confident0 Ų055.6 Ų55.60%031%0.311CS..SBendtrans65.9-8.5177.800000116.4Q1519 N1580 T1581 L1582 A1586 A1587 H1588Q1519-G1584 WeakPolarHBondContact O-CA 3.27Å; N1580-G1584 CarbonylContact O-C 3.53Å; N1580-G1584 PolarHBondContact O-N 3.2Å; T1581-G1584 PolarHBondContact O-N 3.44Å; L1582-G1584 VanDerWaalsContact C-N 3.27Å; G1584-A1586 PolarHBondContact O-N 2.87Å; G1584-A1586 VanDerWaalsContact O-N 3.12Å; G1584-A1587 PolarHBondContact O-N 3.05Å; G1584-H1588 PolarHBondContact O-N 2.76Å; G1584-H1588 VanDerWaalsContact O-N 3.17Å
1585R85Confident82.7Confident101 Ų10153.5 Ų53.538%0.38130%0.299SS..Hα-helixtrans-49.2-38.7174.9-172.1-175.8177.3-160-0.8112.2Y1522 N1580 I1583 A1587 H1588 I1589Y1522-R1585 HydrophobicContact CD1-CB 4.39Å; Y1522-R1585 HydrophobicContact CE1-CB 3.57Å; Y1522-R1585 HydrophobicContact CE1-CG 4.13Å; Y1522-R1585 HydrophobicContact CE2-CG 4.44Å; N1580-R1585 HydrophobicContact CB-CB 4.43Å; N1580-R1585 PolarHBondContact O-N 2.56Å; I1583-R1585 PolarHBondContact O-N 3.32Å; R1585-A1587 VanDerWaalsContact C-N 3.34Å; R1585-A1587 PolarHBondContact O-N 3.36Å; R1585-H1588 PolarHBondContact O-N 3.16Å; R1585-I1589 HydrophobicContact CG-CD1 3.77Å; R1585-I1589 HydrophobicContact CG-CG1 4.38Å; R1585-I1589 WeakPolarHBondContact O-CG1 3.47Å; R1585-I1589 PolarHBondContact O-N 3.42Å; R1585-I1589 VanDerWaalsContact O-N 3.1Å
1586A84.7Confident83.2Confident22 Ų2251.7 Ų51.718%0.18229%0.29CS..Hα-helixtrans-60.8-40.8179.700000112.1L1575 N1580 G1584 A1590L1575-A1586 HydrophobicContact CD1-CB 3.89Å; N1580-A1586 HydrophobicContact CB-CB 4.05Å; N1580-A1586 PolarHBondContact O-N 2.89Å; G1584-A1586 PolarHBondContact O-N 2.87Å; G1584-A1586 VanDerWaalsContact O-N 3.12Å; A1586-A1590 WeakPolarHBondContact O-CB 3.47Å; A1586-A1590 PolarHBondContact O-N 2.85Å
1587A87.1Confident83.9Confident0 Ų046.7 Ų46.70%026%0.259CS..Hα-helixtrans-73.9-37.6176.300000112.4Q1519 D1520 Y1573 L1575 G1584 R1585 I1589 A1590Q1519-A1587 VanDerWaalsContact C-CB 3.42Å; Q1519-A1587 HydrophobicContact CB-CB 3.69Å; Q1519-A1587 WeakPolarHBondContact O-CB 3.49Å; D1520-A1587 HydrophobicContact CB-CB 4.38Å; Y1573-A1587 HydrophobicContact CD2-CB 4.28Å; Y1573-A1587 HydrophobicContact CE2-CB 4.48Å; L1575-A1587 HydrophobicContact CD1-CB 3.96Å; G1584-A1587 PolarHBondContact O-N 3.05Å; R1585-A1587 VanDerWaalsContact C-N 3.34Å; R1585-A1587 PolarHBondContact O-N 3.36Å; A1587-I1589 PolarHBondContact O-N 3.03Å; A1587-A1590 PolarHBondContact O-N 2.75Å
1588H91.1Very high84.6Confident15 Ų1538.7 Ų38.77%0.06922%0.216CC..Hα-helixtrans-61.7-28.2177.3-165.569.4000113.5H1421 S1422 D1520 Y1522 G1584 R1585H1421-H1588 AromaticContact CE1-CD2 3.97Å; H1421-H1588 AromaticContact CE1-NE2 3.59Å; H1421-H1588 PolarHBondContact NE2-O 3.28Å; S1422-H1588 PolarHBondContact OG-CE1 3.42Å; S1422-H1588 PolarHBondContact OG-NE2 3Å; D1520-H1588 IonicContact OD1-CG 3.9Å; D1520-H1588 IonicContact OD1-ND1 3.06Å; D1520-H1588 PolarHBondContact OD1-ND1 3.32Å; D1520-H1588 IonicContact OD2-CE1 3.39Å; D1520-H1588 IonicContact OD2-CG 3.98Å; D1520-H1588 IonicContact OD2-ND1 3.83Å; D1520-H1588 PolarHBondContact OD2-ND1 2.78Å; Y1522-H1588 AromaticContact CD2-CD2 3.92Å; Y1522-H1588 HydrophobicContact CG-CB 4.32Å; G1584-H1588 PolarHBondContact O-N 2.76Å; G1584-H1588 VanDerWaalsContact O-N 3.17Å; R1585-H1588 PolarHBondContact O-N 3.16Å
1589I89.6Confident85.2Confident53 Ų5336.4 Ų36.427%0.27220%0.2SC..Hα-helixtrans-97.5-29.4177.1-58.2176.9000111.8R1585 A1587 V1591 L1592 D1593R1585-I1589 HydrophobicContact CG-CD1 3.77Å; R1585-I1589 HydrophobicContact CG-CG1 4.38Å; R1585-I1589 WeakPolarHBondContact O-CG1 3.47Å; R1585-I1589 PolarHBondContact O-N 3.42Å; R1585-I1589 VanDerWaalsContact O-N 3.1Å; A1587-I1589 PolarHBondContact O-N 3.03Å; I1589-V1591 PolarHBondContact O-N 2.81Å; I1589-L1592 WeakPolarHBondContact O-CA 3.35Å; I1589-L1592 PolarHBondContact O-N 2.87Å; I1589-D1593 HydrophobicContact CG2-CB 4.13Å; I1589-D1593 WeakPolarHBondContact CG2-OD2 3.49Å; I1589-D1593 PolarHBondContact O-N 3.44Å
1590A88.6Confident86.2Confident4 Ų433.1 Ų33.13%0.03317%0.173CC..Hα-helixtrans-57.6-24.4177.700000114Y1573 A1586 A1587 L1592 D1593 S1594Y1573-A1590 HydrophobicContact CD1-CB 3.94Å; Y1573-A1590 HydrophobicContact CD2-CB 4.44Å; Y1573-A1590 HydrophobicContact CE1-CB 3.54Å; Y1573-A1590 HydrophobicContact CE2-CB 4.08Å; Y1573-A1590 HydrophobicContact CG-CB 4.37Å; A1586-A1590 WeakPolarHBondContact O-CB 3.47Å; A1586-A1590 PolarHBondContact O-N 2.85Å; A1587-A1590 PolarHBondContact O-N 2.75Å; A1590-L1592 PolarHBondContact O-N 3.44Å; A1590-D1593 WeakPolarHBondContact CA-OD1 3.37Å; A1590-S1594 WeakPolarHBondContact O-CB 3.42Å; A1590-S1594 PolarHBondContact O-N 2.88Å
1591V91Very high87Confident3 Ų329.6 Ų29.62%0.01815%0.154CC..Hα-helixtrans-68.6-9.4173.181.30000113.5L1450 V1515 Y1573 I1589 F1597 L1598L1450-V1591 HydrophobicContact CB-CG1 4.21Å; L1450-V1591 HydrophobicContact CB-CG2 3.99Å; L1450-V1591 HydrophobicContact CD1-CG2 4.5Å; L1450-V1591 HydrophobicContact CD2-CG2 4.05Å; L1450-V1591 HydrophobicContact CG-CG2 4.4Å; V1515-V1591 HydrophobicContact CG1-CG2 4.18Å; Y1573-V1591 VanDerWaalsContact OH-CA 3.32Å; Y1573-V1591 WeakPolarHBondContact OH-CA 3.45Å; Y1573-V1591 PolarHBondContact OH-N 2.86Å; I1589-V1591 PolarHBondContact O-N 2.81Å; V1591-F1597 HydrophobicContact CB-CE1 4.27Å; V1591-F1597 HydrophobicContact CG2-CE1 3.63Å; V1591-F1597 HydrophobicContact CG2-CZ 4.05Å; V1591-L1598 WeakPolarHBondContact O-CD2 3.41Å
1592L90.5Very high87.9Confident20 Ų2028.3 Ų28.311%0.10515%0.146CC..Hα-helixtrans-122.6-39178.6-60-177.5000113.7D1358 L1359 V1362 H1421 L1450 I1589 A1590 L1598D1358-L1592 HydrophobicContact CB-CD1 4.24Å; L1359-L1592 HydrophobicContact CD2-CD2 3.69Å; V1362-L1592 HydrophobicContact CG2-CD2 4.43Å; H1421-L1592 HydrophobicContact CB-CD1 4.35Å; H1421-L1592 HydrophobicContact CB-CD2 4.28Å; L1450-L1592 HydrophobicContact CD1-CD2 3.94Å; I1589-L1592 WeakPolarHBondContact O-CA 3.35Å; I1589-L1592 PolarHBondContact O-N 2.87Å; A1590-L1592 PolarHBondContact O-N 3.44Å; L1592-L1598 VanDerWaalsContact O-CD1 3.22Å; L1592-L1598 WeakPolarHBondContact O-CD1 3.4Å
1593D86.2Confident88.9Confident101 Ų10122 Ų2254%0.5411%0.113SC..Hα-helixtrans-95.4-16-17379.1-1000114.9I1589 A1590 E1595I1589-D1593 HydrophobicContact CG2-CB 4.13Å; I1589-D1593 WeakPolarHBondContact CG2-OD2 3.49Å; I1589-D1593 PolarHBondContact O-N 3.44Å; A1590-D1593 WeakPolarHBondContact CA-OD1 3.37Å; D1593-E1595 PolarHBondContact O-N 3.13Å; D1593-E1595 VanDerWaalsContact O-N 3.15Å
1594S88.5Confident89.5Confident30 Ų3018.6 Ų18.621%0.2110%0.096CC..  trans-8497.1-176.9-1730000111A1590 I1596 F1597 L1598A1590-S1594 WeakPolarHBondContact O-CB 3.42Å; A1590-S1594 PolarHBondContact O-N 2.88Å; S1594-I1596 VanDerWaalsContact C-N 3.25Å; S1594-I1596 PolarHBondContact O-N 3.12Å; S1594-F1597 PolarHBondContact O-N 3.06Å; S1594-L1598 PolarHBondContact O-N 2.88Å
1595E87.6Confident90.2Very high23 Ų2318.6 Ų18.611%0.10710%0.096CC..Hα-helixtrans-44.8-48.8174.7-64.6172.2176.500111.6R163 Y185 L1361 D1593 F1597 L1598 E1599R163-E1595 IonicContact CZ-OE2 2.77Å; R163-E1595 IonicContact NH1-OE2 3.82Å; R163-E1595 PolarHBondContact NH1-OE2 3.1Å; R163-E1595 VanDerWaalsContact NH2-CD 3.31Å; R163-E1595 IonicContact NH2-OE1 2.76Å; R163-E1595 PolarHBondContact NH2-OE1 3.19Å; R163-E1595 IonicContact NH2-OE2 3.33Å; R163-E1595 PolarHBondContact NH2-OE2 3.46Å; Y185-E1595 PolarHBondContact N-OE1 3.41Å; L1361-E1595 HydrophobicContact CD1-CG 4.48Å; D1593-E1595 PolarHBondContact O-N 3.13Å; D1593-E1595 VanDerWaalsContact O-N 3.15Å; E1595-F1597 PolarHBondContact O-N 3.12Å; E1595-L1598 PolarHBondContact O-N 2.74Å; E1595-E1599 WeakPolarHBondContact O-CB 3.19Å; E1595-E1599 PolarHBondContact O-N 2.74Å
1596I90.6Very high90.6Very high10 Ų1013.9 Ų13.95%0.0518%0.078CC..Hα-helixtrans-61.4-42.9178.5-50.1169.1000112.1E409 N416 L417 S1594 K1600E409-I1596 WeakPolarHBondContact O-CG1 3.16Å; N416-I1596 WeakPolarHBondContact ND2-CD1 3.06Å; L417-I1596 HydrophobicContact CD1-CG2 3.99Å; S1594-I1596 VanDerWaalsContact C-N 3.25Å; S1594-I1596 PolarHBondContact O-N 3.12Å; I1596-K1600 WeakPolarHBondContact O-CB 3.17Å; I1596-K1600 PolarHBondContact O-N 3.47Å; I1596-K1600 VanDerWaalsContact O-N 3.15Å
1597F93Very high91.1Very high0 Ų012.8 Ų12.80%07%0.07CC..Hα-helixtrans-67.2-51.3179.2165.4-104.9000110.9P418 I420 V1515 V1571 Y1573 V1591 S1594 E1595 K1600 F1601P418-F1597 HydrophobicContact CG-CB 4.17Å; P418-F1597 HydrophobicContact CG-CD2 4.45Å; I420-F1597 HydrophobicContact CD1-CD2 3.89Å; I420-F1597 HydrophobicContact CD1-CE2 3.85Å; V1515-F1597 HydrophobicContact CG1-CZ 4.21Å; V1571-F1597 HydrophobicContact CB-CE2 4.27Å; V1571-F1597 HydrophobicContact CG1-CD2 3.69Å; V1571-F1597 HydrophobicContact CG1-CE2 3.57Å; V1571-F1597 HydrophobicContact CG1-CZ 4.45Å; V1571-F1597 HydrophobicContact CG2-CE2 3.64Å; V1571-F1597 HydrophobicContact CG2-CZ 4.11Å; Y1573-F1597 HydrophobicContact CE1-CB 3.96Å; Y1573-F1597 HydrophobicContact CE1-CD2 4.18Å; Y1573-F1597 AromaticContact CE1-CG 3.93Å; Y1573-F1597 HydrophobicContact CE1-CG 3.93Å; V1591-F1597 HydrophobicContact CB-CE1 4.27Å; V1591-F1597 HydrophobicContact CG2-CE1 3.63Å; V1591-F1597 HydrophobicContact CG2-CZ 4.05Å; S1594-F1597 PolarHBondContact O-N 3.06Å; E1595-F1597 PolarHBondContact O-N 3.12Å; F1597-K1600 PolarHBondContact O-N 3.09Å; F1597-F1601 HydrophobicContact CD2-CB 4.43Å; F1597-F1601 HydrophobicContact CE1-CB 4.46Å; F1597-F1601 HydrophobicContact CE2-CB 3.96Å; F1597-F1601 HydrophobicContact CE2-CG 4.34Å; F1597-F1601 HydrophobicContact CZ-CB 3.97Å; F1597-F1601 HydrophobicContact CZ-CD1 4.48Å; F1597-F1601 HydrophobicContact CZ-CD2 4.38Å; F1597-F1601 HydrophobicContact CZ-CG 4.02Å; F1597-F1601 WeakPolarHBondContact O-CB 3.42Å; F1597-F1601 PolarHBondContact O-N 2.9Å
1598L92.4Very high91.3Very high1 Ų113.5 Ų13.51%0.0057%0.073CC..Hα-helixtrans-64.1-45.1-176.4-76.8-177.7000112L1361 V1362 Y1365 V1591 L1592 S1594 E1595 F1601 I1602L1361-L1598 HydrophobicContact CB-CD1 3.43Å; L1361-L1598 VanDerWaalsContact CB-CD1 3.43Å; L1361-L1598 HydrophobicContact CD1-CD1 4.32Å; V1362-L1598 HydrophobicContact CG2-CD1 4.1Å; V1362-L1598 HydrophobicContact CG2-CD2 3.89Å; Y1365-L1598 HydrophobicContact CD2-CB 3.9Å; Y1365-L1598 HydrophobicContact CE2-CB 4.21Å; V1591-L1598 WeakPolarHBondContact O-CD2 3.41Å; L1592-L1598 VanDerWaalsContact O-CD1 3.22Å; L1592-L1598 WeakPolarHBondContact O-CD1 3.4Å; S1594-L1598 PolarHBondContact O-N 2.88Å; E1595-L1598 PolarHBondContact O-N 2.74Å; L1598-F1601 PolarHBondContact O-N 3.22Å; L1598-I1602 WeakPolarHBondContact O-CB 3.35Å; L1598-I1602 WeakPolarHBondContact O-CG1 3.28Å; L1598-I1602 PolarHBondContact O-N 3.12Å
1599E90.3Very high91.5Very high0 Ų012.9 Ų12.90%07%0.07CC..Hα-helixtrans-58.8-50.8176.9-176.4164.6-142.200111.1R355 Y1332 Y1365 E1595 C1603R355-E1599 IonicContact CZ-OE1 3.81Å; R355-E1599 IonicContact CZ-OE2 3.95Å; R355-E1599 IonicContact NH1-OE1 3.78Å; R355-E1599 PolarHBondContact NH1-OE1 3.47Å; R355-E1599 IonicContact NH1-OE2 2.69Å; R355-E1599 PolarHBondContact NH1-OE2 3.19Å; R355-E1599 IonicContact NH2-OE1 3.3Å; R355-E1599 IonicContact NH2-OE2 3.13Å; R355-E1599 PolarHBondContact NH2-OE2 3.39Å; Y1332-E1599 WeakPolarHBondContact CE2-OE1 3.32Å; Y1332-E1599 VanDerWaalsContact CZ-OE1 3.32Å; Y1332-E1599 WeakPolarHBondContact OH-CG 3.26Å; Y1332-E1599 PolarHBondContact OH-OE1 2.71Å; Y1365-E1599 HydrophobicContact CD1-CB 3.96Å; Y1365-E1599 HydrophobicContact CD1-CG 4.07Å; Y1365-E1599 HydrophobicContact CE1-CB 3.56Å; Y1365-E1599 HydrophobicContact CE1-CG 3.72Å; Y1365-E1599 HydrophobicContact CE2-CB 4.38Å; E1595-E1599 WeakPolarHBondContact O-CB 3.19Å; E1595-E1599 PolarHBondContact O-N 2.74Å; E1599-C1603 WeakPolarHBondContact O-CB 3.46Å; E1599-C1603 PolarHBondContact O-N 3.01Å; E1599-C1603 PolarHBondContact O-SG 3.49Å
1600K92.2Very high91.7Very high0 Ų010.5 Ų10.50%06%0.058CC..Hα-helixtrans-62.5-47.5178.1174.9174.3168.2169.30112L359 A362 F363 L417 P418 I420 I1596 F1597 I1602 V1604L359-K1600 HydrophobicContact CB-CD 4.45Å; L359-K1600 HydrophobicContact CB-CG 4.28Å; L359-K1600 WeakPolarHBondContact O-CD 3.29Å; L359-K1600 WeakPolarHBondContact O-CE 3.46Å; L359-K1600 PolarHBondContact O-NZ 3.12Å; L359-K1600 VanDerWaalsContact O-NZ 3.13Å; A362-K1600 VanDerWaalsContact C-NZ 3.25Å; A362-K1600 PolarHBondContact O-NZ 3.28Å; F363-K1600 HydrophobicContact CD2-CG 4.03Å; L417-K1600 HydrophobicContact CD1-CD 4.38Å; P418-K1600 PolarHBondContact O-NZ 2.88Å; I420-K1600 HydrophobicContact CD1-CD 4.14Å; I420-K1600 HydrophobicContact CD1-CG 4.15Å; I1596-K1600 WeakPolarHBondContact O-CB 3.17Å; I1596-K1600 PolarHBondContact O-N 3.47Å; I1596-K1600 VanDerWaalsContact O-N 3.15Å; F1597-K1600 PolarHBondContact O-N 3.09Å; K1600-I1602 PolarHBondContact O-N 3.47Å; K1600-V1604 HydrophobicContact CG-CG2 4.13Å; K1600-V1604 WeakPolarHBondContact O-CB 3.27Å; K1600-V1604 VanDerWaalsContact O-CG2 3.3Å; K1600-V1604 WeakPolarHBondContact O-CG2 3.26Å; K1600-V1604 PolarHBondContact O-N 3.48Å
1601F95Very high91.7Very high3 Ų314.9 Ų14.91%0.0137%0.073CC..Iπ-helixtrans-56.1-52.5-179.1173.7-113.6000110.7L1448 V1515 Y1569 F1597 L1598 S1605 G1606L1448-F1601 HydrophobicContact CD1-CE1 4.01Å; L1448-F1601 HydrophobicContact CD1-CZ 3.82Å; L1448-F1601 HydrophobicContact CD2-CE1 4.08Å; V1515-F1601 HydrophobicContact CG2-CE2 4.03Å; V1515-F1601 HydrophobicContact CG2-CZ 3.75Å; Y1569-F1601 HydrophobicContact CD1-CD2 4.41Å; Y1569-F1601 AromaticContact CD1-CE2 3.87Å; Y1569-F1601 HydrophobicContact CD1-CE2 3.87Å; Y1569-F1601 AromaticContact CD2-CE2 3.91Å; Y1569-F1601 HydrophobicContact CD2-CE2 3.91Å; Y1569-F1601 HydrophobicContact CD2-CZ 4.39Å; Y1569-F1601 HydrophobicContact CE1-CD2 4.35Å; Y1569-F1601 AromaticContact CE1-CE2 3.74Å; Y1569-F1601 HydrophobicContact CE1-CE2 3.74Å; Y1569-F1601 AromaticContact CE2-CE2 3.8Å; Y1569-F1601 HydrophobicContact CE2-CE2 3.8Å; Y1569-F1601 HydrophobicContact CE2-CZ 4.14Å; Y1569-F1601 AromaticContact CG-CE2 3.92Å; Y1569-F1601 HydrophobicContact CG-CE2 3.92Å; Y1569-F1601 AromaticContact CZ-CE2 3.68Å; F1597-F1601 HydrophobicContact CD2-CB 4.43Å; F1597-F1601 HydrophobicContact CE1-CB 4.46Å; F1597-F1601 HydrophobicContact CE2-CB 3.96Å; F1597-F1601 HydrophobicContact CE2-CG 4.34Å; F1597-F1601 HydrophobicContact CZ-CB 3.97Å; F1597-F1601 HydrophobicContact CZ-CD1 4.48Å; F1597-F1601 HydrophobicContact CZ-CD2 4.38Å; F1597-F1601 HydrophobicContact CZ-CG 4.02Å; F1597-F1601 WeakPolarHBondContact O-CB 3.42Å; F1597-F1601 PolarHBondContact O-N 2.9Å; L1598-F1601 PolarHBondContact O-N 3.22Å; F1601-S1605 PolarHBondContact O-N 2.9Å; F1601-G1606 PolarHBondContact O-N 3.42Å
1602I94.5Very high91.8Very high4 Ų415.5 Ų15.52%0.0218%0.076CC..Iπ-helixtrans-71.9-47.3-175.9-66.5166.9000111.1V1362 L1366 A1369 L1598 K1600 G1606 A1607V1362-I1602 HydrophobicContact CG1-CD1 4.26Å; L1366-I1602 HydrophobicContact CB-CG2 4.45Å; L1366-I1602 HydrophobicContact CD1-CG2 4.18Å; A1369-I1602 HydrophobicContact CB-CG2 3.81Å; L1598-I1602 WeakPolarHBondContact O-CB 3.35Å; L1598-I1602 WeakPolarHBondContact O-CG1 3.28Å; L1598-I1602 PolarHBondContact O-N 3.12Å; K1600-I1602 PolarHBondContact O-N 3.47Å; I1602-G1606 PolarHBondContact O-N 3.02Å; I1602-A1607 HydrophobicContact CG2-CB 3.97Å; I1602-A1607 WeakPolarHBondContact O-CB 3.4Å; I1602-A1607 PolarHBondContact O-N 2.93Å
1603C90.6Very high91.8Very high0 Ų015.3 Ų15.30%08%0.075CC..Iπ-helixtrans-81.1-25.1-170.1-60.40000114.6M356 A1327 A1328 Y1332 E1599M356-C1603 HydrophobicContact CE-CB 4.44Å; M356-C1603 HydrophobicContact SD-CB 3.58Å; M356-C1603 VanDerWaalsContact SD-CB 3.58Å; A1327-C1603 PolarHBondContact N-O 2.83Å; A1328-C1603 HydrophobicContact CB-CB 3.69Å; A1328-C1603 PolarHBondContact N-O 3.01Å; Y1332-C1603 PolarHBondContact OH-SG 3.29Å; E1599-C1603 WeakPolarHBondContact O-CB 3.46Å; E1599-C1603 PolarHBondContact O-N 3.01Å; E1599-C1603 PolarHBondContact O-SG 3.49Å
1604V91.6Very high92.1Very high0 Ų010.5 Ų10.50%05%0.049CC..Iπ-helixtrans-82.7-48.2175178.20000110.7L359 A360 F363 Y1320 L1326 A1327 K1600L359-V1604 HydrophobicContact CB-CG2 4.35Å; A360-V1604 HydrophobicContact CB-CG1 4.02Å; A360-V1604 HydrophobicContact CB-CG2 4.24Å; F363-V1604 HydrophobicContact CB-CG1 3.99Å; F363-V1604 HydrophobicContact CD1-CG1 4.49Å; F363-V1604 HydrophobicContact CD2-CB 3.62Å; F363-V1604 HydrophobicContact CD2-CG1 3.48Å; F363-V1604 VanDerWaalsContact CD2-CG1 3.48Å; F363-V1604 HydrophobicContact CD2-CG2 4.21Å; F363-V1604 HydrophobicContact CE2-CB 3.88Å; F363-V1604 HydrophobicContact CE2-CG1 4.01Å; F363-V1604 HydrophobicContact CG-CB 4.41Å; F363-V1604 HydrophobicContact CG-CG1 3.76Å; Y1320-V1604 HydrophobicContact CD1-CG1 3.45Å; Y1320-V1604 VanDerWaalsContact CD1-CG1 3.45Å; Y1320-V1604 HydrophobicContact CD2-CG1 4.13Å; Y1320-V1604 HydrophobicContact CE1-CG1 4.05Å; Y1320-V1604 HydrophobicContact CG-CG1 3.51Å; L1326-V1604 HydrophobicContact CD2-CG1 4.3Å; A1327-V1604 WeakPolarHBondContact CB-O 3.37Å; A1327-V1604 PolarHBondContact N-O 3.25Å; K1600-V1604 HydrophobicContact CG-CG2 4.13Å; K1600-V1604 WeakPolarHBondContact O-CB 3.27Å; K1600-V1604 VanDerWaalsContact O-CG2 3.3Å; K1600-V1604 WeakPolarHBondContact O-CG2 3.26Å; K1600-V1604 PolarHBondContact O-N 3.48Å
1605S93.9Very high92.4Very high0 Ų09.4 Ų9.40%04%0.039CC..Iπ-helixtrans-129.4-58.1-176-175.70000114.5E422 Y1320 A1327 Y1569 F1601 A1607 K1608E422-S1605 VanDerWaalsContact CD-OG 3.28Å; E422-S1605 PolarHBondContact OE1-OG 2.94Å; E422-S1605 VanDerWaalsContact OE2-CB 3.29Å; E422-S1605 WeakPolarHBondContact OE2-CB 3.49Å; E422-S1605 PolarHBondContact OE2-OG 3.49Å; Y1320-S1605 VanDerWaalsContact OH-CB 3.29Å; Y1320-S1605 WeakPolarHBondContact OH-CB 3.44Å; Y1320-S1605 PolarHBondContact OH-OG 3.32Å; A1327-S1605 WeakPolarHBondContact CB-O 3.44Å; Y1569-S1605 PolarHBondContact OH-OG 2.91Å; F1601-S1605 PolarHBondContact O-N 2.9Å; S1605-A1607 VanDerWaalsContact C-N 3.28Å; S1605-A1607 PolarHBondContact O-N 3.37Å; S1605-K1608 WeakPolarHBondContact O-CB 3.44Å; S1605-K1608 WeakPolarHBondContact O-CG 3.32Å; S1605-K1608 PolarHBondContact O-N 3.5Å; S1605-K1608 VanDerWaalsContact OG-CE 3.3Å; S1605-K1608 WeakPolarHBondContact OG-CE 3.42Å; S1605-K1608 PolarHBondContact OG-NZ 3.45Å
1606G94.4Very high92.7Very high2 Ų28.5 Ų8.52%0.0214%0.035CC..G310 helixtrans-52.7-37.9-160.500000115.2F1601 I1602 K1608 Y1609 F1610F1601-G1606 PolarHBondContact O-N 3.42Å; I1602-G1606 PolarHBondContact O-N 3.02Å; G1606-K1608 VanDerWaalsContact C-N 3.25Å; G1606-K1608 PolarHBondContact O-N 2.87Å; G1606-Y1609 PolarHBondContact O-N 2.89Å; G1606-F1610 WeakPolarHBondContact O-CD2 3.39Å
1607A93.9Very high92.8Very high0 Ų08.4 Ų8.40%03%0.034CC..G310 helixtrans-62.1-26.5178.500000113.9A1327 L1366 A1369 L1370 I1602 S1605 Y1609 F1610 R1611A1327-A1607 HydrophobicContact CB-CB 4.06Å; L1366-A1607 HydrophobicContact CD1-CB 4.2Å; A1369-A1607 HydrophobicContact CB-CB 3.89Å; L1370-A1607 HydrophobicContact CD1-CB 4.26Å; L1370-A1607 HydrophobicContact CD2-CB 3.87Å; L1370-A1607 HydrophobicContact CG-CB 4Å; I1602-A1607 HydrophobicContact CG2-CB 3.97Å; I1602-A1607 WeakPolarHBondContact O-CB 3.4Å; I1602-A1607 PolarHBondContact O-N 2.93Å; S1605-A1607 VanDerWaalsContact C-N 3.28Å; S1605-A1607 PolarHBondContact O-N 3.37Å; A1607-Y1609 PolarHBondContact O-N 3.38Å; A1607-F1610 PolarHBondContact O-N 3.06Å; A1607-R1611 PolarHBondContact O-N 3.44Å
1608K92.2Very high92.8Very high14 Ų149 Ų96%0.0614%0.036CC..G310 helixtrans-62.1-28.9179.784.3-165.9171.8-178.60112.3E422 Y1185 Y1320 A1327 S1605 G1606 F1610 R1611E422-K1608 WeakPolarHBondContact OE1-CE 3.44Å; E422-K1608 IonicContact OE1-NZ 2.88Å; E422-K1608 PolarHBondContact OE1-NZ 3.28Å; E422-K1608 IonicContact OE2-NZ 3.74Å; Y1185-K1608 HydrophobicContact CE2-CD 4.07Å; Y1185-K1608 PolarHBondContact OH-NZ 2.98Å; Y1185-K1608 VanDerWaalsContact OH-NZ 3.1Å; Y1320-K1608 PolarHBondContact OH-NZ 3.29Å; A1327-K1608 HydrophobicContact CB-CB 4.07Å; S1605-K1608 WeakPolarHBondContact O-CB 3.44Å; S1605-K1608 WeakPolarHBondContact O-CG 3.32Å; S1605-K1608 PolarHBondContact O-N 3.5Å; S1605-K1608 VanDerWaalsContact OG-CE 3.3Å; S1605-K1608 WeakPolarHBondContact OG-CE 3.42Å; S1605-K1608 PolarHBondContact OG-NZ 3.45Å; G1606-K1608 VanDerWaalsContact C-N 3.25Å; G1606-K1608 PolarHBondContact O-N 2.87Å; K1608-F1610 VanDerWaalsContact C-N 3.28Å; K1608-F1610 PolarHBondContact O-N 3.27Å; K1608-R1611 PolarHBondContact O-N 3.37Å
1609Y95.1Very high92.8Very high2 Ų29.6 Ų9.61%0.0084%0.039CC..G310 helixtrans-79.5-4.8178.5-64.5-71.2000114.1E422 H1445 T1446 Y1511 L1513 V1567 Y1569 G1606 A1607E422-Y1609 WeakPolarHBondContact OE1-CE2 3.35Å; E422-Y1609 PolarHBondContact OE1-OH 3.32Å; H1445-Y1609 PolarHBondContact CE1-O 2.85Å; H1445-Y1609 PolarHBondContact ND1-O 3.22Å; T1446-Y1609 PolarHBondContact OG1-O 3.41Å; Y1511-Y1609 AromaticContact CD1-CD1 3.58Å; Y1511-Y1609 HydrophobicContact CD1-CD1 3.58Å; Y1511-Y1609 HydrophobicContact CD1-CE1 4.05Å; Y1511-Y1609 HydrophobicContact CD2-CD1 4.11Å; Y1511-Y1609 VanDerWaalsContact CD2-O 3.22Å; Y1511-Y1609 WeakPolarHBondContact CD2-O 3.41Å; Y1511-Y1609 AromaticContact CE1-CD1 3.85Å; Y1511-Y1609 HydrophobicContact CE1-CD1 3.85Å; Y1511-Y1609 HydrophobicContact CE1-CE1 4.2Å; Y1511-Y1609 HydrophobicContact CE2-CD1 4.3Å; Y1511-Y1609 AromaticContact CG-CD1 3.72Å; Y1511-Y1609 HydrophobicContact CG-CD1 3.72Å; Y1511-Y1609 HydrophobicContact CG-CG 4.48Å; L1513-Y1609 HydrophobicContact CD1-CD2 3.92Å; L1513-Y1609 HydrophobicContact CD1-CG 4.02Å; L1513-Y1609 HydrophobicContact CD2-CD1 4.01Å; L1513-Y1609 HydrophobicContact CD2-CD2 3.77Å; L1513-Y1609 HydrophobicContact CD2-CE1 4.26Å; L1513-Y1609 HydrophobicContact CD2-CE2 4.03Å; L1513-Y1609 HydrophobicContact CD2-CG 3.75Å; L1513-Y1609 HydrophobicContact CG-CG 4.49Å; V1567-Y1609 HydrophobicContact CG2-CE1 3.92Å; V1567-Y1609 HydrophobicContact CG2-CE2 4.46Å; Y1569-Y1609 WeakPolarHBondContact OH-CE2 3.23Å; G1606-Y1609 PolarHBondContact O-N 2.89Å; A1607-Y1609 PolarHBondContact O-N 3.38Å
1610F94.6Very high93Very high4 Ų410.4 Ų10.42%0.0184%0.042CC..G310 helixtrans-107.9-7.1172.7-63.3-98.1000112.7H1344 I1346 L1366 L1370 R1415 I1419 T1446 L1448 G1606 A1607 K1608H1344-F1610 PolarHBondContact ND1-O 3.23Å; I1346-F1610 HydrophobicContact CD1-CD1 3.78Å; I1346-F1610 HydrophobicContact CD1-CE1 4.1Å; L1366-F1610 HydrophobicContact CD1-CB 4.33Å; L1366-F1610 HydrophobicContact CD1-CD2 3.87Å; L1366-F1610 HydrophobicContact CD1-CE2 4.35Å; L1366-F1610 HydrophobicContact CD1-CG 4.11Å; L1366-F1610 HydrophobicContact CD2-CD1 4.01Å; L1366-F1610 HydrophobicContact CD2-CD2 4.29Å; L1366-F1610 HydrophobicContact CD2-CE1 4.02Å; L1366-F1610 HydrophobicContact CD2-CE2 4.31Å; L1366-F1610 HydrophobicContact CD2-CG 4.15Å; L1366-F1610 HydrophobicContact CD2-CZ 4.17Å; L1370-F1610 HydrophobicContact CD1-CB 3.69Å; R1415-F1610 PolarHBondContact NH2-O 3.38Å; I1419-F1610 HydrophobicContact CD1-CE1 4.38Å; I1419-F1610 HydrophobicContact CD1-CZ 4.19Å; I1419-F1610 HydrophobicContact CG1-CE1 4.47Å; I1419-F1610 HydrophobicContact CG1-CZ 4.33Å; T1446-F1610 HydrophobicContact CG2-CD1 4.42Å; T1446-F1610 HydrophobicContact CG2-CD2 4.36Å; T1446-F1610 HydrophobicContact CG2-CE1 4.07Å; T1446-F1610 HydrophobicContact CG2-CE2 3.99Å; T1446-F1610 HydrophobicContact CG2-CZ 3.83Å; L1448-F1610 HydrophobicContact CB-CZ 4.3Å; L1448-F1610 HydrophobicContact CD2-CZ 4.3Å; G1606-F1610 WeakPolarHBondContact O-CD2 3.39Å; A1607-F1610 PolarHBondContact O-N 3.06Å; K1608-F1610 VanDerWaalsContact C-N 3.28Å; K1608-F1610 PolarHBondContact O-N 3.27Å
1611R88.3Confident93.1Very high96 Ų9611.4 Ų11.436%0.3625%0.046SC..  trans-73.60168.1-66.6-179.9165.9-73.1-11.1112.1A1327 L1370 D1372 R1415 H1445 A1607 K1608A1327-R1611 PolarHBondContact O-NE 3.44Å; L1370-R1611 HydrophobicContact CD2-CG 3.52Å; L1370-R1611 VanDerWaalsContact CD2-CZ 3.41Å; D1372-R1611 IonicContact OD1-CZ 3.21Å; D1372-R1611 IonicContact OD1-NH1 3.9Å; D1372-R1611 PolarHBondContact OD1-NH1 3.33Å; D1372-R1611 IonicContact OD1-NH2 3.83Å; D1372-R1611 PolarHBondContact OD1-NH2 3.23Å; D1372-R1611 IonicContact OD2-CZ 3.49Å; D1372-R1611 IonicContact OD2-NH1 2.65Å; D1372-R1611 PolarHBondContact OD2-NH1 2.88Å; D1372-R1611 IonicContact OD2-NH2 3.46Å; R1415-R1611 VanDerWaalsContact NH1-C 3.33Å; R1415-R1611 PolarHBondContact NH1-O 2.97Å; H1445-R1611 PolarHBondContact CE1-O 2.74Å; A1607-R1611 PolarHBondContact O-N 3.44Å; K1608-R1611 PolarHBondContact O-N 3.37Å

Retrieved 1,611 of 1,611 residues in 1017.9 ms (Link to these results)

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