A0A5K4F2S2_SCHMA Loading...

Intron-binding protein aquarius

AlphaFold DB , UniProt , Accession A0A5K4F2S2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,770 aa.

>A0A5K4F2S2_SCHMA|A0A5K4F2S2
MSFRDSVDYVSQDRISQLARTYWITTQGPLKNSHPSACPTDTYRPFQPNVMERIYRQELLASGFSHRRCLALELNQYLEQWLWPHFEPDTSSRAHVLSICAMVNEKARGRVPIWPTFVVTADKFSGLIQRVLHILLDESPQILTVNPLLTEINTRSKDDDNDGKDKNQTSDESSNPVQQKKCILEHIVLIIFLSHCFTNLAEVGVLRRSLRELYSLAIWQDHLQPTRLSLELKSHPRYARLLKKLQKYRDTKVSPTERDNMVFQHSFIPRILDVFLTLLNSIPEKDEDKPIEPLLIHYLERFILLLIDLESMLLTRRILNVVLDDRHIVVYCQKSALIKRPDGKLFSELVDLLAFYAHFHIDESTGEPLDEAEMDKRHCAKLSNLQLRTFALHKDKLLPFSVSHPAGIETAQLLRKHLSVLDRDQLYQLASCFGLVTLKKEFIQNNEQNKIDDTNDCQLPPAKRIRSNDQDVDEFDLNSLRDKLEAKFMDKDLIIRILIHHFARRQSELEYINSLSLYPTEDLIWDENRVPTEYYSGENCLALPKLGLQFLTLQDYLLRNFNLFRLESTYEIRQDIEDAIVRLKAWRGEFGQAVFDGWSRMALPIQAFNIVEVAKPDLGAKHPARVRADVRVALAGLRPEIRKEWLGLRRHDPVFLVTIRPTKQQGWKFNMNEPFASQVGLHYVRGCEIEGQVDKEGKLVPDEERLGFLPLKGEKPNLVDTLPTWRVRLDPVQYQTDLDHLKTEQMRAEVLRSKVIRAKREGRTTEEIQALQSQVDEAEQVSPEDLYDTFNVLIRRKPKENNFKAVLETIRDLMNIRSVVPEWLLDLLMGYLDPAAAHYTHRSDVYEQRQNWLDTFLSPEHLKNSLSQYNVQFTDKRQSRKWKSSCQTEISDITDPTNHLPGPPYRLIFPKLGDDPTAKVEAMIPSDMIIQKHSTSSANVDTSDNHSKNDEKPTLIAEAYDPPLQPPWSLLTQAGGHLPNGLSSMNSKLGNKVPFTPAQIEAIRSGMQCGLTLVVGPPGTGKTDVAVQIIHNLYHNYPNQRILIVTHSNQALNQLFEKIIALDVDERHLLRLGHGEEGLDTDKDFSRYGRVDYILAKRIHLLQEVTRLAKTLNPSSAIPQLSTDNLPDSDLSDSTNSFHLQTCETAQYFYIQEVLSRWEDFISKIAASDTSHHLMNNTNQKNQSMTEEKIEKDVVIYDPNLIRNSFPFTEFFTGQKTPSNEVISQLFPGQNLLEDVALAHAYFRYLHSIFTQLDEFRAFELMRTGTERANYLLIQEAKIIAMTCTHAALRRRDLVQLGFTYDTILMEEAAQILEIETFIPLLLQNPDISGRNRLKRWIMIGDHHQLPPVVKNQAFNNYSNMGQSLFARLVKLGVPTVQLDAQGRARPSLSRLYSWRYDRLTDLPHTLNEVQYRLANPGFRYDVQLINVEDYKGIGESEPSPFFYQNLAEAEYVVAVYMYMRILGYPAEKITILTTYNGQKHLIRDVIAARCAQNPLLGNPSKVTTVDRFQGQQNDYVLVSLVRTRTVGHLRDVRRLIVALSRARLGLYIFARIEQFANCPELKPAFDLLLNRTSEESRQMKPTELHLTPWEVWIDPRSPTVLKEQHRLQTDHNLNQPPLIIKDMPQMSNYVRELYDQKLQYLMTQLQKQQHAQNKTITVATTGTTATTTTTTVGSKDIAISNDSSTSLSISCTGLNELPQEQQQPESVTTENNHNGDVMDTSQGLDHTPNLMLIDNDDAAGVAIDTPTTPPTINTDEANADNSVEMTDTN
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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
1M27.9Very low46.2Very low195 Ų195102.1 Ų102.196%0.96152%0.516SS*.  0-56.80-82.9171.7169.100112F3 R4 D5M1-F3 VanDerWaalsContact C-N 3.31Å; M1-F3 PolarHBondContact O-N 3.1Å; M1-F3 VanDerWaalsContact O-N 3.11Å; M1-R4 CarbonylContact O-C 3.41Å; M1-R4 WeakPolarHBondContact O-CA 3.28Å; M1-R4 WeakPolarHBondContact O-CB 3.22Å; M1-R4 PolarHBondContact O-N 2.84Å; M1-D5 VanDerWaalsContact O-CG 3.31Å; M1-D5 PolarHBondContact O-N 2.83Å; M1-D5 VanDerWaalsContact O-OD2 3.07Å
2S34.3Very low47.9Very low99 Ų9997.8 Ų97.869%0.69249%0.492SS*.Hα-helixtrans-51.3-40.5-176.664.60000115.7D5 S6S2-D5 PolarHBondContact O-N 3.3Å; S2-S6 PolarHBondContact O-N 2.81Å
3F33.1Very low49.7Very low175 Ų17598.5 Ų98.577%0.76850%0.499SS*.Hα-helixtrans-68.3-40.1175.9-125-86.2000112.7M1 D5 S6 V7M1-F3 VanDerWaalsContact C-N 3.31Å; M1-F3 PolarHBondContact O-N 3.1Å; M1-F3 VanDerWaalsContact O-N 3.11Å; F3-D5 VanDerWaalsContact C-N 3.34Å; F3-S6 PolarHBondContact O-OG 3Å; F3-V7 WeakPolarHBondContact O-CG2 3.45Å
4R37.3Very low51.9Low195 Ų19597.7 Ų97.774%0.73649%0.486SS*.Hα-helixtrans-62.6-41172.6-99-174.9174.1-178.6-2.8111.1M1 S6 V7 D8M1-R4 CarbonylContact O-C 3.41Å; M1-R4 WeakPolarHBondContact O-CA 3.28Å; M1-R4 WeakPolarHBondContact O-CB 3.22Å; M1-R4 PolarHBondContact O-N 2.84Å; R4-S6 PolarHBondContact O-N 3.29Å; R4-V7 PolarHBondContact O-N 2.87Å; R4-D8 PolarHBondContact O-N 3.42Å; R4-D8 VanDerWaalsContact O-N 3.14Å
5D43.4Very low54.1Low50 Ų5091.2 Ų91.227%0.26745%0.454SS..Hα-helixtrans-61.3-43.4-179-62.4-41.4000112M1 S2 F3 V7 D8 Y9 R67M1-D5 VanDerWaalsContact O-CG 3.31Å; M1-D5 PolarHBondContact O-N 2.83Å; M1-D5 VanDerWaalsContact O-OD2 3.07Å; S2-D5 PolarHBondContact O-N 3.3Å; F3-D5 VanDerWaalsContact C-N 3.34Å; D5-V7 PolarHBondContact O-N 2.97Å; D5-D8 PolarHBondContact O-N 3.49Å; D5-Y9 VanDerWaalsContact O-CD2 3.28Å; D5-Y9 WeakPolarHBondContact O-CD2 3.5Å; D5-Y9 PolarHBondContact O-N 3.49Å; D5-R67 IonicContact OD1-CZ 3.27Å; D5-R67 VanDerWaalsContact OD1-CZ 3.24Å; D5-R67 IonicContact OD1-NH1 3.21Å; D5-R67 PolarHBondContact OD1-NH1 2.85Å; D5-R67 IonicContact OD1-NH2 2.69Å; D5-R67 PolarHBondContact OD1-NH2 3.37Å
6S48Very low55.7Low64 Ų6487.5 Ų87.545%0.44844%0.44SS..Hα-helixtrans-62.6-39.6177.872.40000113.6S2 F3 R4 V10S2-S6 PolarHBondContact O-N 2.81Å; F3-S6 PolarHBondContact O-OG 3Å; R4-S6 PolarHBondContact O-N 3.29Å; S6-V10 WeakPolarHBondContact O-CG2 3.32Å; S6-V10 PolarHBondContact O-N 3.48Å
7V52.9Low57.2Low78 Ų7889.4 Ų89.447%0.47345%0.447SS..Hα-helixtrans-71.7-33.1-178175.60000111.4F3 R4 D5 S11 R68F3-V7 WeakPolarHBondContact O-CG2 3.45Å; R4-V7 PolarHBondContact O-N 2.87Å; D5-V7 PolarHBondContact O-N 2.97Å; V7-S11 PolarHBondContact O-N 2.92Å; V7-R68 PolarHBondContact O-NH2 2.9Å
8D53.9Low58.8Low20 Ų2085.6 Ų85.611%0.10743%0.428CS..Hα-helixtrans-72.6-39.6178.1-70.8-27.4000112.6R4 D5 S11 Q12 R67 R68R4-D8 PolarHBondContact O-N 3.42Å; R4-D8 VanDerWaalsContact O-N 3.14Å; D5-D8 PolarHBondContact O-N 3.49Å; D8-S11 WeakPolarHBondContact CA-OG 3.37Å; D8-S11 PolarHBondContact O-N 3.47Å; D8-S11 PolarHBondContact O-OG 3.45Å; D8-Q12 PolarHBondContact O-N 2.84Å; D8-R67 VanDerWaalsContact OD2-CD 3.31Å; D8-R67 WeakPolarHBondContact OD2-CD 3.41Å; D8-R67 IonicContact OD2-CZ 3.94Å; D8-R67 IonicContact OD2-NH1 3.93Å; D8-R67 PolarHBondContact OD2-NH1 2.7Å; D8-R68 IonicContact OD1-NE 3.33Å; D8-R68 IonicContact OD1-NH2 3.37Å
9Y58.5Low60.2Low132 Ų13281.1 Ų81.152%0.51841%0.405SS..Hα-helixtrans-62.4-47.1176.2-85.8-73.9000112.5D5 S11 Q12 D13D5-Y9 VanDerWaalsContact O-CD2 3.28Å; D5-Y9 WeakPolarHBondContact O-CD2 3.5Å; D5-Y9 PolarHBondContact O-N 3.49Å; Y9-S11 PolarHBondContact O-N 2.91Å; Y9-S11 VanDerWaalsContact O-N 3.14Å; Y9-Q12 PolarHBondContact O-N 3.41Å; Y9-Q12 VanDerWaalsContact O-N 3.1Å; Y9-D13 PolarHBondContact O-N 2.82Å
10V57Low61.2Low109 Ų10984.1 Ų84.166%0.66141%0.412SS*.Hα-helixtrans-57.4-32.4176.6175.10000111.4S6 R14S6-V10 WeakPolarHBondContact O-CG2 3.32Å; S6-V10 PolarHBondContact O-N 3.48Å; V10-R14 PolarHBondContact O-N 2.86Å
11S61.5Low62.4Low6 Ų683.9 Ų83.94%0.04242%0.416CS..Hα-helixtrans-78-31.2178.273.70000115.6V7 D8 Y9 D13 R14 I15 R68V7-S11 PolarHBondContact O-N 2.92Å; D8-S11 WeakPolarHBondContact CA-OG 3.37Å; D8-S11 PolarHBondContact O-N 3.47Å; D8-S11 PolarHBondContact O-OG 3.45Å; Y9-S11 PolarHBondContact O-N 2.91Å; Y9-S11 VanDerWaalsContact O-N 3.14Å; S11-D13 VanDerWaalsContact C-N 3.27Å; S11-D13 PolarHBondContact O-N 3.14Å; S11-R14 PolarHBondContact O-N 3.43Å; S11-I15 WeakPolarHBondContact O-CB 3.48Å; S11-I15 WeakPolarHBondContact O-CG1 3.41Å; S11-I15 PolarHBondContact O-N 2.79Å; S11-R68 VanDerWaalsContact CB-NH2 3.26Å; S11-R68 WeakPolarHBondContact OG-CD 3.4Å; S11-R68 PolarHBondContact OG-NE 3.18Å; S11-R68 PolarHBondContact OG-NH1 2.58Å; S11-R68 PolarHBondContact OG-NH2 3.17Å
12Q66.7Low65.1Low50 Ų5077.3 Ų77.323%0.23438%0.381CS..Hα-helixtrans-62.1-40.6175.4-73.8-175.2-19.400110.6D8 Y9 I15 S16 A71D8-Q12 PolarHBondContact O-N 2.84Å; Y9-Q12 PolarHBondContact O-N 3.41Å; Y9-Q12 VanDerWaalsContact O-N 3.1Å; Q12-I15 PolarHBondContact O-N 2.85Å; Q12-S16 WeakPolarHBondContact O-CB 3.11Å; Q12-S16 PolarHBondContact O-N 2.94Å; Q12-S16 PolarHBondContact O-OG 3.48Å; Q12-A71 HydrophobicContact CG-CB 3.99Å
13D71.2Confident67.7Low108 Ų10872.7 Ų72.758%0.57835%0.348SS*.Hα-helixtrans-63.2-44.9173.3-80.8-8.3000111.7Y9 S11 S16 Q17Y9-D13 PolarHBondContact O-N 2.82Å; S11-D13 VanDerWaalsContact C-N 3.27Å; S11-D13 PolarHBondContact O-N 3.14Å; D13-S16 PolarHBondContact O-N 3.28Å; D13-Q17 VanDerWaalsContact O-CG 3.3Å; D13-Q17 WeakPolarHBondContact O-CG 3.27Å; D13-Q17 PolarHBondContact O-N 3.28Å
14R81.5Confident69.8Low87 Ų8766.5 Ų66.533%0.32832%0.322SS..Hα-helixtrans-61.7-45.3177.1-175.7-179.9168.5-161.8-16.5112.2V10 S11 S16 Q17 L18 E58V10-R14 PolarHBondContact O-N 2.86Å; S11-R14 PolarHBondContact O-N 3.43Å; R14-S16 VanDerWaalsContact C-N 3.33Å; R14-Q17 WeakPolarHBondContact O-CB 3.47Å; R14-Q17 PolarHBondContact O-N 3.22Å; R14-L18 WeakPolarHBondContact O-CG 3.48Å; R14-L18 PolarHBondContact O-N 3.36Å; R14-E58 IonicContact CZ-OE1 3.39Å; R14-E58 VanDerWaalsContact CZ-OE1 3.3Å; R14-E58 IonicContact NE-OE1 3.68Å; R14-E58 IonicContact NH1-OE1 2.63Å; R14-E58 PolarHBondContact NH1-OE1 2.77Å; R14-E58 IonicContact NH2-OE1 3.75Å
15I84.8Confident71.1Confident0 Ų059.8 Ų59.80%030%0.303CS..Hα-helixtrans-62.4-43.5177.5-70.8165.9000110.1S11 Q12 Q17 L18 A19 E58 A71 L72S11-I15 WeakPolarHBondContact O-CB 3.48Å; S11-I15 WeakPolarHBondContact O-CG1 3.41Å; S11-I15 PolarHBondContact O-N 2.79Å; Q12-I15 PolarHBondContact O-N 2.85Å; I15-Q17 VanDerWaalsContact C-N 3.32Å; I15-Q17 PolarHBondContact O-N 3Å; I15-L18 WeakPolarHBondContact O-CB 3.43Å; I15-L18 PolarHBondContact O-N 2.94Å; I15-A19 WeakPolarHBondContact O-CB 3.47Å; I15-A19 PolarHBondContact O-N 3.16Å; I15-E58 HydrophobicContact CG1-CG 4.48Å; I15-A71 HydrophobicContact CB-CB 4.42Å; I15-A71 HydrophobicContact CD1-CB 3.77Å; I15-A71 HydrophobicContact CG2-CB 4.22Å; I15-L72 HydrophobicContact CD1-CG 4.33Å; I15-L72 HydrophobicContact CG2-CD2 3.65Å; I15-L72 HydrophobicContact CG2-CG 3.99Å
16S79.5Confident71.2Confident32 Ų3263 Ų6322%0.22432%0.324CS..Hα-helixtrans-61.6-38.2175.9-60.30000112.5Q12 D13 R14 A19 R20 N75Q12-S16 WeakPolarHBondContact O-CB 3.11Å; Q12-S16 PolarHBondContact O-N 2.94Å; Q12-S16 PolarHBondContact O-OG 3.48Å; D13-S16 PolarHBondContact O-N 3.28Å; R14-S16 VanDerWaalsContact C-N 3.33Å; S16-A19 PolarHBondContact O-N 3.32Å; S16-R20 WeakPolarHBondContact O-CG 3.35Å; S16-R20 PolarHBondContact O-N 3.49Å; S16-N75 PolarHBondContact OG-ND2 3.33Å
17Q80.9Confident70.8Confident120 Ų12067.8 Ų67.856%0.56134%0.34SS*.Hα-helixtrans-66-44.4173.3-71.9171.11700112.3D13 R14 I15 A19 R20 T21D13-Q17 VanDerWaalsContact O-CG 3.3Å; D13-Q17 WeakPolarHBondContact O-CG 3.27Å; D13-Q17 PolarHBondContact O-N 3.28Å; R14-Q17 WeakPolarHBondContact O-CB 3.47Å; R14-Q17 PolarHBondContact O-N 3.22Å; I15-Q17 VanDerWaalsContact C-N 3.32Å; I15-Q17 PolarHBondContact O-N 3Å; Q17-A19 VanDerWaalsContact C-N 3.27Å; Q17-A19 PolarHBondContact O-N 3.48Å; Q17-R20 PolarHBondContact O-N 3.28Å; Q17-T21 WeakPolarHBondContact O-CB 3.49Å; Q17-T21 PolarHBondContact O-N 3.35Å; Q17-T21 VanDerWaalsContact O-N 3.09Å; Q17-T21 PolarHBondContact O-OG1 2.91Å
18L86.9Confident69.9Low20 Ų2066.9 Ų66.911%0.10535%0.347CS..Hα-helixtrans-58.2-44.2173.5-68.3172.9000110.2R14 I15 R20 T21 Y22 W23 I54R14-L18 WeakPolarHBondContact O-CG 3.48Å; R14-L18 PolarHBondContact O-N 3.36Å; I15-L18 WeakPolarHBondContact O-CB 3.43Å; I15-L18 PolarHBondContact O-N 2.94Å; L18-R20 PolarHBondContact O-N 2.94Å; L18-T21 WeakPolarHBondContact O-CB 3.27Å; L18-T21 PolarHBondContact O-N 3.38Å; L18-T21 VanDerWaalsContact O-N 3.11Å; L18-Y22 HydrophobicContact CB-CD2 4.26Å; L18-Y22 HydrophobicContact CD2-CD2 4.07Å; L18-Y22 HydrophobicContact CD2-CE2 3.63Å; L18-Y22 WeakPolarHBondContact O-CB 3.39Å; L18-Y22 VanDerWaalsContact O-CD2 3.22Å; L18-Y22 WeakPolarHBondContact O-CD2 3.44Å; L18-Y22 PolarHBondContact O-N 3.41Å; L18-W23 HydrophobicContact CB-CH2 4.07Å; L18-W23 HydrophobicContact CB-CZ3 4.1Å; L18-I54 HydrophobicContact CD1-CD1 4.43Å; L18-I54 HydrophobicContact CD1-CG1 4.16Å
19A84Confident68.7Low0 Ų071.9 Ų71.90%038%0.38CS..Hα-helixtrans-59.8-50.8-179.400000112.5I15 S16 Q17 T21 Y22 W23 I24 N75I15-A19 WeakPolarHBondContact O-CB 3.47Å; I15-A19 PolarHBondContact O-N 3.16Å; S16-A19 PolarHBondContact O-N 3.32Å; Q17-A19 VanDerWaalsContact C-N 3.27Å; Q17-A19 PolarHBondContact O-N 3.48Å; A19-T21 PolarHBondContact O-N 3.5Å; A19-Y22 PolarHBondContact O-N 3.46Å; A19-W23 VanDerWaalsContact CA-CE2 3.43Å; A19-W23 VanDerWaalsContact CA-CH2 3.5Å; A19-W23 HydrophobicContact CB-CD2 4.25Å; A19-W23 VanDerWaalsContact CB-CE2 3.46Å; A19-W23 HydrophobicContact CB-CH2 3.81Å; A19-W23 HydrophobicContact CB-CZ2 3.23Å; A19-W23 PolarHBondContact O-N 3.06Å; A19-I24 HydrophobicContact CB-CD1 3.43Å; A19-I24 VanDerWaalsContact CB-CD1 3.43Å; A19-I24 HydrophobicContact CB-CG1 3.87Å; A19-I24 WeakPolarHBondContact O-CB 3.37Å; A19-I24 PolarHBondContact O-N 3.05Å; A19-N75 HydrophobicContact CB-CB 3.63Å; A19-N75 WeakPolarHBondContact CB-OD1 3.09Å
20R80.7Confident67.4Low141 Ų14172.4 Ų72.453%0.53239%0.391SS..Hα-helixtrans-58-32.8174.8-70173.2-174.9177.3-0112.9S16 Q17 L18 R44S16-R20 WeakPolarHBondContact O-CG 3.35Å; S16-R20 PolarHBondContact O-N 3.49Å; Q17-R20 PolarHBondContact O-N 3.28Å; L18-R20 PolarHBondContact O-N 2.94Å; R20-R44 PolarHBondContact O-NH1 3.36Å; R20-R44 PolarHBondContact O-NH2 3.47Å; R20-R44 VanDerWaalsContact O-NH2 3.15Å
21T85.4Confident66Low81 Ų8177 Ų7750%0.49740%0.402SS..Hα-helixtrans-79.1-42.4-177.8-550000112.2Q17 L18 A19 R44Q17-T21 WeakPolarHBondContact O-CB 3.49Å; Q17-T21 PolarHBondContact O-N 3.35Å; Q17-T21 VanDerWaalsContact O-N 3.09Å; Q17-T21 PolarHBondContact O-OG1 2.91Å; L18-T21 WeakPolarHBondContact O-CB 3.27Å; L18-T21 PolarHBondContact O-N 3.38Å; L18-T21 VanDerWaalsContact O-N 3.11Å; A19-T21 PolarHBondContact O-N 3.5Å; T21-R44 PolarHBondContact O-NH1 2.87Å
22Y86.4Confident64.4Low57 Ų5783.3 Ų83.322%0.22444%0.435CS..Hα-helixtrans-109.5-35.3-163.5-68.7-67.8000115.2L18 A19 R44 Q47 V50L18-Y22 HydrophobicContact CB-CD2 4.26Å; L18-Y22 HydrophobicContact CD2-CD2 4.07Å; L18-Y22 HydrophobicContact CD2-CE2 3.63Å; L18-Y22 WeakPolarHBondContact O-CB 3.39Å; L18-Y22 VanDerWaalsContact O-CD2 3.22Å; L18-Y22 WeakPolarHBondContact O-CD2 3.44Å; L18-Y22 PolarHBondContact O-N 3.41Å; A19-Y22 PolarHBondContact O-N 3.46Å; Y22-R44 VanDerWaalsContact O-CB 3.25Å; Y22-R44 WeakPolarHBondContact O-CB 3.4Å; Y22-R44 WeakPolarHBondContact O-CD 3.5Å; Y22-Q47 VanDerWaalsContact CE1-OE1 3.29Å; Y22-V50 HydrophobicContact CD1-CG1 4.2Å; Y22-V50 HydrophobicContact CD1-CG2 4.35Å; Y22-V50 HydrophobicContact CD2-CG1 3.79Å; Y22-V50 HydrophobicContact CE1-CB 4.48Å; Y22-V50 HydrophobicContact CE1-CG1 4.12Å; Y22-V50 HydrophobicContact CE1-CG2 3.78Å; Y22-V50 HydrophobicContact CE2-CG1 3.7Å; Y22-V50 HydrophobicContact CG-CG1 4.05Å
23W87.4Confident62.5Low1 Ų185.2 Ų85.20%0.00445%0.454CS..THydrogen-bonded Turntrans-137.5-26.3-172.966.487.8000116.5L18 A19 T25 I54 L72 N75 Y77 W81L18-W23 HydrophobicContact CB-CH2 4.07Å; L18-W23 HydrophobicContact CB-CZ3 4.1Å; A19-W23 VanDerWaalsContact CA-CE2 3.43Å; A19-W23 VanDerWaalsContact CA-CH2 3.5Å; A19-W23 HydrophobicContact CB-CD2 4.25Å; A19-W23 VanDerWaalsContact CB-CE2 3.46Å; A19-W23 HydrophobicContact CB-CH2 3.81Å; A19-W23 HydrophobicContact CB-CZ2 3.23Å; A19-W23 PolarHBondContact O-N 3.06Å; W23-T25 PolarHBondContact O-N 3Å; W23-T25 VanDerWaalsContact O-N 3.16Å; W23-I54 HydrophobicContact CH2-CD1 3.97Å; W23-I54 HydrophobicContact CZ3-CD1 3.69Å; W23-L72 HydrophobicContact CH2-CD2 4.3Å; W23-L72 HydrophobicContact CZ2-CD2 4.42Å; W23-N75 HydrophobicContact CZ2-CB 4.18Å; W23-N75 PolarHBondContact NE1-O 3.43Å; W23-Y77 HydrophobicContact CD2-CD2 4.46Å; W23-Y77 HydrophobicContact CH2-CD2 4.31Å; W23-Y77 HydrophobicContact CZ2-CD2 4.13Å; W23-W81 HydrophobicContact CB-CB 3.53Å; W23-W81 HydrophobicContact CB-CD2 3.86Å; W23-W81 HydrophobicContact CB-CE3 4.37Å; W23-W81 HydrophobicContact CB-CG 3.42Å; W23-W81 VanDerWaalsContact CB-CG 3.42Å; W23-W81 HydrophobicContact CD2-CB 4.46Å; W23-W81 HydrophobicContact CD2-CD2 4.25Å; W23-W81 AromaticContact CD2-CE3 3.84Å; W23-W81 HydrophobicContact CD2-CE3 3.84Å; W23-W81 HydrophobicContact CD2-CG 4.49Å; W23-W81 AromaticContact CE3-CD2 3.89Å; W23-W81 HydrophobicContact CE3-CD2 3.89Å; W23-W81 AromaticContact CE3-CE3 3.27Å; W23-W81 HydrophobicContact CE3-CE3 3.27Å; W23-W81 HydrophobicContact CE3-CH2 4.35Å; W23-W81 AromaticContact CE3-CZ3 3.56Å; W23-W81 HydrophobicContact CE3-CZ3 3.56Å; W23-W81 HydrophobicContact CG-CB 3.86Å; W23-W81 HydrophobicContact CG-CD2 4.28Å; W23-W81 HydrophobicContact CG-CE3 4.32Å; W23-W81 HydrophobicContact CG-CG 4.06Å; W23-W81 AromaticContact CZ3-CE3 3.86Å; W23-W81 HydrophobicContact CZ3-CE3 3.86Å; W23-W81 AromaticContact CZ3-CZ3 3.75Å; W23-W81 HydrophobicContact CZ3-CZ3 3.75Å
24I78Confident60.4Low46 Ų4687.8 Ų87.824%0.23646%0.463CS..  trans-70.9114.8173.8-64.7178.8000108.8A19 T26 R44 N75A19-I24 HydrophobicContact CB-CD1 3.43Å; A19-I24 VanDerWaalsContact CB-CD1 3.43Å; A19-I24 HydrophobicContact CB-CG1 3.87Å; A19-I24 WeakPolarHBondContact O-CB 3.37Å; A19-I24 PolarHBondContact O-N 3.05Å; I24-T26 PolarHBondContact O-N 2.87Å; I24-R44 VanDerWaalsContact O-CZ 3.28Å; I24-R44 PolarHBondContact O-NE 2.82Å; I24-R44 VanDerWaalsContact O-NE 3.17Å; I24-R44 PolarHBondContact O-NH2 2.74Å; I24-N75 HydrophobicContact CD1-CB 4.26Å; I24-N75 WeakPolarHBondContact CD1-OD1 3.36Å
25T64.5Low58.3Low53 Ų5390.2 Ų90.233%0.32549%0.49SS..  trans-79.5102.4171390000109.7W23 Q27 R44W23-T25 PolarHBondContact O-N 3Å; W23-T25 VanDerWaalsContact O-N 3.16Å; T25-Q27 PolarHBondContact O-N 3.48Å; T25-R44 HydrophobicContact CG2-CG 3.93Å
26T45.6Very low55.8Low117 Ų11795.8 Ų95.872%0.71853%0.528SS*.  trans-75.677.5161.240.70000108I24I24-T26 PolarHBondContact O-N 2.87Å
27Q39.6Very low53.4Low165 Ų16597.8 Ų97.877%0.77155%0.547SS*.  trans-122.2134.4171.8-70.9-162.81.600111.3T25T25-Q27 PolarHBondContact O-N 3.48Å
28G33.7Very low51.1Low60 Ų6096 Ų9662%0.61955%0.547SS*.  trans-62.2-179.916900000112.5L30G28-L30 PolarHBondContact O-N 2.86Å
29P29.5Very low48.7Very low124 Ų12497.9 Ų97.981%0.80556%0.56SS**PPolyproline II helixtrans-53.9124.8-156.222.2-34.5000113.2K31P29-K31 PolarHBondContact O-N 3.25Å
30L30.3Very low46.6Very low143 Ų143103.5 Ų103.575%0.74959%0.594SS**PPolyproline II helixtrans-56.5127.5175.5-75.7153.6000110.3G28 T42G28-L30 PolarHBondContact O-N 2.86Å; L30-T42 HydrophobicContact CD2-CG2 4Å
31K27.9Very low45.1Very low207 Ų207104.2 Ų104.290%0.961%0.609SS**PPolyproline II helixtrans-73.6133.1167.8-74.3179.4175.9178.10109.3P29P29-K31 PolarHBondContact O-N 3.25Å
32N27.8Very low44.1Very low137 Ų137103 Ų10373%0.73360%0.602SS**  trans-37.7125.5-178.8-69.8-34000116.4E1575N32-E1575 PolarHBondContact ND2-OE1 3.47Å
33S27Very low43.7Very low90 Ų90104.6 Ų104.663%0.62961%0.608SS**  trans-149.3140.3147.660.80000110.3
34H26.8Very low43.5Very low163 Ų163107.9 Ų107.976%0.75562%0.62SS**  trans-48.8154.4-173.6-74.3-82.7000116.1S36H34-S36 PolarHBondContact O-N 3.49Å
35P38.1Very low43.8Very low138 Ų138110.4 Ų110.490%0.89664%0.64SS**THydrogen-bonded Turntrans-73.69.1-170.7-12.428.3000116.9
36S31.5Very low45Very low116 Ų116110.5 Ų110.581%0.81164%0.636SS**THydrogen-bonded Turntrans-118.27.4-170.452.20000115.7H34H34-S36 PolarHBondContact O-N 3.49Å
37A28.9Very low47.1Very low75 Ų75109 Ų10962%0.6262%0.621SS**SBendtrans-133.1119.2172.600000110.2P39A37-P39 WeakPolarHBondContact O-CD 3.33Å
38C32.5Very low49.6Very low82 Ų82104.7 Ų104.755%0.55461%0.607SS**  trans-60.7114.9173.2-77.30000109.9T40 V119C38-T40 PolarHBondContact O-N 2.88Å; C38-V119 WeakPolarHBondContact SG-CG1 3.49Å
39P36.1Very low52.3Low60 Ų60108.5 Ų108.539%0.3961%0.613SS.*  trans-76.9107.6170.9-2.220.6000107.3A37 D41 T42A37-P39 WeakPolarHBondContact O-CD 3.33Å; P39-D41 PolarHBondContact O-N 2.89Å; P39-T42 PolarHBondContact O-OG1 2.92Å
40T41.4Very low55.3Low117 Ų117103.3 Ų103.372%0.71858%0.579SS**G310 helixtrans-63.3-17.9172.843.80000112.3C38 T42C38-T40 PolarHBondContact O-N 2.88Å; T40-T42 VanDerWaalsContact C-N 3.34Å; T40-T42 PolarHBondContact O-N 2.87Å
41D48.3Very low58.4Low157 Ų15796.6 Ų96.684%0.8454%0.544SS*.G310 helixtrans-79.3-5-175.2-67-15.5000115.1P39P39-D41 PolarHBondContact O-N 2.89Å
42T64.4Low61.5Low56 Ų5688.5 Ų88.534%0.34451%0.509SS..G310 helixtrans-88.6-13-178.230.10000115.8L30 P39 T40L30-T42 HydrophobicContact CD2-CG2 4Å; P39-T42 PolarHBondContact O-OG1 2.92Å; T40-T42 VanDerWaalsContact C-N 3.34Å; T40-T42 PolarHBondContact O-N 2.87Å
43Y77.7Confident64.6Low89 Ų8987.2 Ų87.235%0.34949%0.494SS..SBendtrans-94.6145.1-175.1-59.5-72.3000112.4P84Y43-P84 HydrophobicContact CD1-CB 4.46Å; Y43-P84 HydrophobicContact CD1-CG 4.18Å; Y43-P84 HydrophobicContact CD2-CB 4.07Å; Y43-P84 HydrophobicContact CE1-CB 4.48Å; Y43-P84 HydrophobicContact CE1-CG 3.91Å; Y43-P84 HydrophobicContact CE2-CB 4.09Å; Y43-P84 HydrophobicContact CE2-CG 4.26Å; Y43-P84 HydrophobicContact CG-CB 4.26Å; Y43-P84 HydrophobicContact CG-CG 4.47Å
44R82.9Confident67.8Low70 Ų7083.1 Ų83.126%0.26447%0.465SS..PPolyproline II helixtrans-66.6149.6173-73.5-167.2-172.2-147.610.6110.6R20 T21 Y22 I24 T25 F46 H85R20-R44 PolarHBondContact O-NH1 3.36Å; R20-R44 PolarHBondContact O-NH2 3.47Å; R20-R44 VanDerWaalsContact O-NH2 3.15Å; T21-R44 PolarHBondContact O-NH1 2.87Å; Y22-R44 VanDerWaalsContact O-CB 3.25Å; Y22-R44 WeakPolarHBondContact O-CB 3.4Å; Y22-R44 WeakPolarHBondContact O-CD 3.5Å; I24-R44 VanDerWaalsContact O-CZ 3.28Å; I24-R44 PolarHBondContact O-NE 2.82Å; I24-R44 VanDerWaalsContact O-NE 3.17Å; I24-R44 PolarHBondContact O-NH2 2.74Å; T25-R44 HydrophobicContact CG2-CG 3.93Å; R44-F46 PolarHBondContact O-N 3.23Å; R44-H85 PolarHBondContact O-CE1 3.31Å; R44-H85 PolarHBondContact O-NE2 3.44Å
45P84.9Confident71.1Confident99 Ų9975.7 Ų75.764%0.64343%0.43SS*.PPolyproline II helixtrans-59.8135.9-177.324.5-34.6000112.2
46F90.1Very high73.7Confident55 Ų5576.3 Ų76.324%0.24142%0.415CS..PPolyproline II helixtrans-72131.2178.4-170.1-119.5000112R44 P48 M51 W81 H85 H95R44-F46 PolarHBondContact O-N 3.23Å; F46-P48 HydrophobicContact CD1-CG 3.88Å; F46-P48 HydrophobicContact CE1-CB 4.25Å; F46-P48 HydrophobicContact CE1-CG 3.82Å; F46-M51 HydrophobicContact CE2-CB 4.27Å; F46-M51 HydrophobicContact CE2-CG 4.35Å; F46-M51 HydrophobicContact CZ-CB 4.26Å; F46-M51 HydrophobicContact CZ-CE 4.34Å; F46-M51 HydrophobicContact CZ-CG 4.28Å; F46-W81 HydrophobicContact CD2-CZ2 4.49Å; F46-W81 AromaticContact CD2-NE1 3.87Å; F46-H85 HydrophobicContact CB-CB 3.95Å; F46-H85 HydrophobicContact CD1-CB 4.16Å; F46-H85 HydrophobicContact CD2-CB 3.63Å; F46-H85 AromaticContact CD2-CG 3.8Å; F46-H85 AromaticContact CD2-ND1 3.91Å; F46-H85 HydrophobicContact CE2-CB 4.13Å; F46-H85 HydrophobicContact CG-CB 3.66Å; F46-H85 AromaticContact CG-CG 3.81Å; F46-H95 AromaticContact CE1-CE1 3.99Å; F46-H95 AromaticContact CE2-CE1 3.96Å; F46-H95 AromaticContact CZ-CE1 3.4Å; F46-H95 WeakPolarHBondContact CZ-CE1 3.43Å; F46-H95 AromaticContact CZ-ND1 3.51Å
47Q90.5Very high76.6Confident87 Ų8775 Ų7541%0.40740%0.396SS..  trans-12096175.9-67.2-170.7-4.100109.9Y22 N49 V50 M51 W81Y22-Q47 VanDerWaalsContact CE1-OE1 3.29Å; Q47-N49 VanDerWaalsContact C-N 3.26Å; Q47-N49 PolarHBondContact O-N 2.82Å; Q47-V50 HydrophobicContact CB-CB 4.19Å; Q47-V50 HydrophobicContact CB-CG2 3.94Å; Q47-V50 PolarHBondContact O-N 3.24Å; Q47-M51 PolarHBondContact O-N 2.83Å; Q47-W81 HydrophobicContact CB-CZ2 4.41Å
48P90.2Very high79.5Confident73 Ų7371.5 Ų71.547%0.47437%0.367SS..Hα-helixtrans-54.8-39.3-175.7-26.732.8000113.6F46 V50 M51 E52F46-P48 HydrophobicContact CD1-CG 3.88Å; F46-P48 HydrophobicContact CE1-CB 4.25Å; F46-P48 HydrophobicContact CE1-CG 3.82Å; P48-V50 VanDerWaalsContact C-N 3.29Å; P48-V50 PolarHBondContact O-N 3.33Å; P48-M51 PolarHBondContact O-N 3.03Å; P48-E52 WeakPolarHBondContact O-CB 3.33Å; P48-E52 PolarHBondContact O-N 2.97Å
49N92.3Very high82.4Confident141 Ų14167.6 Ų67.675%0.75434%0.34SS*.Hα-helixtrans-63-33.5180-66.8-20.8000113.1Q47 R53Q47-N49 VanDerWaalsContact C-N 3.26Å; Q47-N49 PolarHBondContact O-N 2.82Å; N49-R53 WeakPolarHBondContact O-CB 3.38Å; N49-R53 PolarHBondContact O-N 2.94Å; N49-R53 VanDerWaalsContact O-N 3.11Å
50V91.9Very high85.1Confident15 Ų1565.8 Ų65.89%0.09133%0.327CS..Hα-helixtrans-76.7-43.3179.3179.60000110.2Y22 Q47 P48 E52 R53 I54 W81Y22-V50 HydrophobicContact CD1-CG1 4.2Å; Y22-V50 HydrophobicContact CD1-CG2 4.35Å; Y22-V50 HydrophobicContact CD2-CG1 3.79Å; Y22-V50 HydrophobicContact CE1-CB 4.48Å; Y22-V50 HydrophobicContact CE1-CG1 4.12Å; Y22-V50 HydrophobicContact CE1-CG2 3.78Å; Y22-V50 HydrophobicContact CE2-CG1 3.7Å; Y22-V50 HydrophobicContact CG-CG1 4.05Å; Q47-V50 HydrophobicContact CB-CB 4.19Å; Q47-V50 HydrophobicContact CB-CG2 3.94Å; Q47-V50 PolarHBondContact O-N 3.24Å; P48-V50 VanDerWaalsContact C-N 3.29Å; P48-V50 PolarHBondContact O-N 3.33Å; V50-E52 PolarHBondContact O-N 3.03Å; V50-R53 WeakPolarHBondContact O-CB 3.39Å; V50-R53 PolarHBondContact O-N 3.29Å; V50-I54 HydrophobicContact CG1-CD1 4.37Å; V50-I54 WeakPolarHBondContact O-CG1 3.46Å; V50-I54 PolarHBondContact O-N 3.34Å; V50-W81 HydrophobicContact CB-CH2 3.91Å; V50-W81 HydrophobicContact CG1-CH2 3.77Å
51M94.3Very high87.4Confident1 Ų164 Ų641%0.00533%0.325CS..Hα-helixtrans-57.7-48.5173.7-178.3-74.4-6800110.9F46 Q47 P48 R53 I54 Y55 W81 L82 S92 A94 H95F46-M51 HydrophobicContact CE2-CB 4.27Å; F46-M51 HydrophobicContact CE2-CG 4.35Å; F46-M51 HydrophobicContact CZ-CB 4.26Å; F46-M51 HydrophobicContact CZ-CE 4.34Å; F46-M51 HydrophobicContact CZ-CG 4.28Å; Q47-M51 PolarHBondContact O-N 2.83Å; P48-M51 PolarHBondContact O-N 3.03Å; M51-R53 VanDerWaalsContact C-N 3.27Å; M51-R53 PolarHBondContact O-N 2.98Å; M51-I54 PolarHBondContact O-N 3.42Å; M51-I54 VanDerWaalsContact O-N 3.11Å; M51-Y55 PolarHBondContact O-N 2.81Å; M51-W81 HydrophobicContact CB-CH2 4.18Å; M51-W81 HydrophobicContact CB-CZ3 4.31Å; M51-L82 HydrophobicContact CG-CD2 3.79Å; M51-S92 WeakPolarHBondContact CE-OG 3.36Å; M51-A94 HydrophobicContact CE-CB 4.23Å; M51-A94 HydrophobicContact SD-CB 4.05Å; M51-H95 HydrophobicContact CE-CB 3.58Å; M51-H95 HydrophobicContact SD-CB 4.26Å
52E94.5Very high89.2Confident38 Ų3858.5 Ų58.518%0.17830%0.298CS..Hα-helixtrans-58.4-40.3176.6-172.669.6-148.200111.5P48 V50 Y55 R56 S92 A94P48-E52 WeakPolarHBondContact O-CB 3.33Å; P48-E52 PolarHBondContact O-N 2.97Å; V50-E52 PolarHBondContact O-N 3.03Å; E52-Y55 PolarHBondContact O-N 2.65Å; E52-R56 WeakPolarHBondContact O-CB 3.5Å; E52-R56 WeakPolarHBondContact O-CG 3.41Å; E52-R56 PolarHBondContact O-N 3.47Å; E52-R56 IonicContact OE1-CZ 3.49Å; E52-R56 IonicContact OE1-NE 3.41Å; E52-R56 PolarHBondContact OE1-NE 3.23Å; E52-R56 IonicContact OE1-NH2 2.78Å; E52-R56 PolarHBondContact OE1-NH2 3.43Å; E52-S92 PolarHBondContact OE2-OG 2.82Å; E52-A94 WeakPolarHBondContact OE2-CB 3.4Å
53R93.2Very high90.3Very high110 Ų11057.3 Ų57.342%0.41530%0.297SS..Hα-helixtrans-64.7-43.6175.1178.5-178160.1-164.9-5.8112.1N49 V50 M51 R56 Q57N49-R53 WeakPolarHBondContact O-CB 3.38Å; N49-R53 PolarHBondContact O-N 2.94Å; N49-R53 VanDerWaalsContact O-N 3.11Å; V50-R53 WeakPolarHBondContact O-CB 3.39Å; V50-R53 PolarHBondContact O-N 3.29Å; M51-R53 VanDerWaalsContact C-N 3.27Å; M51-R53 PolarHBondContact O-N 2.98Å; R53-R56 PolarHBondContact O-N 3.41Å; R53-Q57 HydrophobicContact CG-CG 4.15Å; R53-Q57 VanDerWaalsContact NE-OE1 3.09Å; R53-Q57 VanDerWaalsContact O-CB 3.26Å; R53-Q57 WeakPolarHBondContact O-CB 3.34Å; R53-Q57 WeakPolarHBondContact O-CG 3.41Å; R53-Q57 PolarHBondContact O-N 2.8Å
54I93.4Very high91Very high4 Ų454.3 Ų54.32%0.02129%0.286CS..Hα-helixtrans-61.8-47.5176.9-69.5173.1000109.8L18 W23 V50 M51 R56 E58 L59 L72 Y77 W81L18-I54 HydrophobicContact CD1-CD1 4.43Å; L18-I54 HydrophobicContact CD1-CG1 4.16Å; W23-I54 HydrophobicContact CH2-CD1 3.97Å; W23-I54 HydrophobicContact CZ3-CD1 3.69Å; V50-I54 HydrophobicContact CG1-CD1 4.37Å; V50-I54 WeakPolarHBondContact O-CG1 3.46Å; V50-I54 PolarHBondContact O-N 3.34Å; M51-I54 PolarHBondContact O-N 3.42Å; M51-I54 VanDerWaalsContact O-N 3.11Å; I54-R56 PolarHBondContact O-N 2.77Å; I54-E58 HydrophobicContact CG2-CB 4.24Å; I54-E58 HydrophobicContact CG2-CG 4.25Å; I54-E58 WeakPolarHBondContact O-CA 3.44Å; I54-E58 WeakPolarHBondContact O-CB 3.47Å; I54-E58 PolarHBondContact O-N 2.8Å; I54-L59 PolarHBondContact O-N 2.76Å; I54-L72 HydrophobicContact CG2-CD1 3.99Å; I54-L72 HydrophobicContact CG2-CD2 3.78Å; I54-Y77 HydrophobicContact CD1-CE2 4.21Å; I54-Y77 HydrophobicContact CG2-CE1 4.23Å; I54-W81 HydrophobicContact CD1-CZ3 3.8Å
55Y95.7Very high91.1Very high7 Ų752 Ų523%0.02728%0.281CS..Iπ-helixtrans-58.9-48.7176.5156.9-98.7000111.9M51 E52 L59 L60 F64 R93 A94 L97 E185M51-Y55 PolarHBondContact O-N 2.81Å; E52-Y55 PolarHBondContact O-N 2.65Å; Y55-L59 HydrophobicContact CD2-CB 4.45Å; Y55-L59 HydrophobicContact CD2-CD1 4.46Å; Y55-L59 CarbonylContact O-C 3.57Å; Y55-L59 WeakPolarHBondContact O-CB 3.41Å; Y55-L59 PolarHBondContact O-N 3.47Å; Y55-L60 HydrophobicContact CE1-CD2 4.41Å; Y55-L60 HydrophobicContact CE2-CB 4.33Å; Y55-L60 WeakPolarHBondContact O-CB 3.42Å; Y55-L60 PolarHBondContact O-N 2.65Å; Y55-F64 HydrophobicContact CE2-CZ 4.21Å; Y55-R93 PolarHBondContact OH-NH1 2.81Å; Y55-R93 VanDerWaalsContact OH-NH1 3.08Å; Y55-A94 HydrophobicContact CD1-CB 3.22Å; Y55-A94 HydrophobicContact CD2-CB 4.26Å; Y55-A94 HydrophobicContact CE1-CB 3.65Å; Y55-A94 HydrophobicContact CG-CB 3.56Å; Y55-L97 HydrophobicContact CD2-CB 4.38Å; Y55-L97 HydrophobicContact CE2-CB 3.94Å; Y55-L97 HydrophobicContact CE2-CD1 3.83Å; Y55-E185 PolarHBondContact OH-OE1 2.97Å
56R93.2Very high91Very high150 Ų15049.4 Ų49.457%0.56626%0.26SS*.Iπ-helixtrans-67.9-44.4-179.1-70179.8-169.7172.92.4113.1E52 R53 I54 A61E52-R56 WeakPolarHBondContact O-CB 3.5Å; E52-R56 WeakPolarHBondContact O-CG 3.41Å; E52-R56 PolarHBondContact O-N 3.47Å; E52-R56 IonicContact OE1-CZ 3.49Å; E52-R56 IonicContact OE1-NE 3.41Å; E52-R56 PolarHBondContact OE1-NE 3.23Å; E52-R56 IonicContact OE1-NH2 2.78Å; E52-R56 PolarHBondContact OE1-NH2 3.43Å; R53-R56 PolarHBondContact O-N 3.41Å; I54-R56 PolarHBondContact O-N 2.77Å; R56-A61 VanDerWaalsContact O-CB 3.25Å; R56-A61 WeakPolarHBondContact O-CB 3.42Å; R56-A61 PolarHBondContact O-N 3.27Å; R56-A61 VanDerWaalsContact O-N 3.12Å
57Q92Very high90.5Very high90 Ų9051.2 Ų51.242%0.42127%0.265SS..Iπ-helixtrans-88.9-34-171.2-63.8-176.3-8.600113.7R53R53-Q57 HydrophobicContact CG-CG 4.15Å; R53-Q57 VanDerWaalsContact NE-OE1 3.09Å; R53-Q57 VanDerWaalsContact O-CB 3.26Å; R53-Q57 WeakPolarHBondContact O-CB 3.34Å; R53-Q57 WeakPolarHBondContact O-CG 3.41Å; R53-Q57 PolarHBondContact O-N 2.8Å
58E90.7Very high90.4Very high1 Ų148.4 Ų48.41%0.00525%0.251CS..Iπ-helixtrans-103.5-39.7-173.2-50.7-61.6157.900112R14 I15 I54 S62 R68R14-E58 IonicContact CZ-OE1 3.39Å; R14-E58 VanDerWaalsContact CZ-OE1 3.3Å; R14-E58 IonicContact NE-OE1 3.68Å; R14-E58 IonicContact NH1-OE1 2.63Å; R14-E58 PolarHBondContact NH1-OE1 2.77Å; R14-E58 IonicContact NH2-OE1 3.75Å; I15-E58 HydrophobicContact CG1-CG 4.48Å; I54-E58 HydrophobicContact CG2-CB 4.24Å; I54-E58 HydrophobicContact CG2-CG 4.25Å; I54-E58 WeakPolarHBondContact O-CA 3.44Å; I54-E58 WeakPolarHBondContact O-CB 3.47Å; I54-E58 PolarHBondContact O-N 2.8Å; E58-S62 WeakPolarHBondContact O-CB 3.48Å; E58-S62 PolarHBondContact O-OG 2.98Å; E58-R68 IonicContact OE2-CZ 3.29Å; E58-R68 IonicContact OE2-NH1 2.77Å; E58-R68 PolarHBondContact OE2-NH1 3.26Å
59L93.3Very high90.3Very high0 Ų045.1 Ų45.10%023%0.23CC..Iπ-helixtrans-89.8-67.2-180-61.7178.1000111.8I54 Y55 A61 S62 G63 F64 L72 A101 M102I54-L59 PolarHBondContact O-N 2.76Å; Y55-L59 HydrophobicContact CD2-CB 4.45Å; Y55-L59 HydrophobicContact CD2-CD1 4.46Å; Y55-L59 CarbonylContact O-C 3.57Å; Y55-L59 WeakPolarHBondContact O-CB 3.41Å; Y55-L59 PolarHBondContact O-N 3.47Å; L59-A61 PolarHBondContact O-N 3.05Å; L59-S62 PolarHBondContact O-N 3.32Å; L59-S62 PolarHBondContact O-OG 3.38Å; L59-G63 PolarHBondContact O-N 3.17Å; L59-F64 HydrophobicContact CB-CD1 3.89Å; L59-F64 HydrophobicContact CB-CE1 3.88Å; L59-F64 HydrophobicContact CD1-CE1 4.47Å; L59-F64 HydrophobicContact CD2-CD1 4.44Å; L59-F64 WeakPolarHBondContact O-CA 3.38Å; L59-F64 PolarHBondContact O-N 3.05Å; L59-L72 HydrophobicContact CD1-CD1 4.46Å; L59-L72 HydrophobicContact CD2-CD1 3.56Å; L59-L72 HydrophobicContact CG-CD1 4Å; L59-A101 HydrophobicContact CD1-CB 4.47Å; L59-M102 HydrophobicContact CD2-CE 4.21Å
60L92.5Very high90Very high22 Ų2240.2 Ų40.212%0.11520%0.203CC..G310 helixtrans-66-44.9-171.9-172.166.2000112.5Y55 S62 G63 F64 K181 E185Y55-L60 HydrophobicContact CE1-CD2 4.41Å; Y55-L60 HydrophobicContact CE2-CB 4.33Å; Y55-L60 WeakPolarHBondContact O-CB 3.42Å; Y55-L60 PolarHBondContact O-N 2.65Å; L60-S62 PolarHBondContact O-N 3.39Å; L60-G63 PolarHBondContact O-N 3.16Å; L60-G63 VanDerWaalsContact O-N 3.07Å; L60-F64 HydrophobicContact CD1-CE2 4.03Å; L60-F64 HydrophobicContact CD1-CZ 4.42Å; L60-K181 HydrophobicContact CD1-CB 4.13Å; L60-K181 HydrophobicContact CD1-CG 4.15Å; L60-K181 HydrophobicContact CD2-CD 4.03Å; L60-K181 HydrophobicContact CD2-CG 4.19Å; L60-K181 HydrophobicContact CG-CG 4.23Å; L60-E185 HydrophobicContact CD1-CG 4.03Å
61A88.6Confident89.6Confident80 Ų8039.8 Ų39.866%0.66120%0.201SC*.G310 helixtrans-65.3-24.9178.600000113.6R56 L59R56-A61 VanDerWaalsContact O-CB 3.25Å; R56-A61 WeakPolarHBondContact O-CB 3.42Å; R56-A61 PolarHBondContact O-N 3.27Å; R56-A61 VanDerWaalsContact O-N 3.12Å; L59-A61 PolarHBondContact O-N 3.05Å
62S87.4Confident89.4Confident40 Ų4039.8 Ų39.828%0.2820%0.201SC..G310 helixtrans-89.5-2.217574.10000113.4E58 L59 L60 F64 S65E58-S62 WeakPolarHBondContact O-CB 3.48Å; E58-S62 PolarHBondContact O-OG 2.98Å; L59-S62 PolarHBondContact O-N 3.32Å; L59-S62 PolarHBondContact O-OG 3.38Å; L60-S62 PolarHBondContact O-N 3.39Å; S62-F64 VanDerWaalsContact C-N 3.35Å; S62-S65 PolarHBondContact O-N 3.07Å; S62-S65 PolarHBondContact OG-N 3.3Å
63G87.9Confident89.1Confident31 Ų3138 Ų3832%0.3219%0.193SC..THydrogen-bonded Turntrans68.532.5-172.700000113.1L59 L60 S65L59-G63 PolarHBondContact O-N 3.17Å; L60-G63 PolarHBondContact O-N 3.16Å; L60-G63 VanDerWaalsContact O-N 3.07Å; G63-S65 VanDerWaalsContact C-N 3.32Å; G63-S65 PolarHBondContact O-N 3.4Å
64F90.9Very high88.5Confident26 Ų2635.5 Ų35.511%0.11419%0.187CC..SBendtrans57.543.4-172.4-59.3-90.6000112.5Y55 L59 L60 S62 H66 A101 L184 E185 V188Y55-F64 HydrophobicContact CE2-CZ 4.21Å; L59-F64 HydrophobicContact CB-CD1 3.89Å; L59-F64 HydrophobicContact CB-CE1 3.88Å; L59-F64 HydrophobicContact CD1-CE1 4.47Å; L59-F64 HydrophobicContact CD2-CD1 4.44Å; L59-F64 WeakPolarHBondContact O-CA 3.38Å; L59-F64 PolarHBondContact O-N 3.05Å; L60-F64 HydrophobicContact CD1-CE2 4.03Å; L60-F64 HydrophobicContact CD1-CZ 4.42Å; S62-F64 VanDerWaalsContact C-N 3.35Å; F64-H66 PolarHBondContact O-N 3.35Å; F64-A101 HydrophobicContact CD1-CB 3.75Å; F64-A101 HydrophobicContact CE1-CB 3.96Å; F64-L184 HydrophobicContact CD2-CB 4.39Å; F64-L184 HydrophobicContact CE2-CB 4.3Å; F64-E185 HydrophobicContact CE2-CG 4.11Å; F64-E185 HydrophobicContact CZ-CG 4.18Å; F64-V188 HydrophobicContact CB-CG2 4.19Å; F64-V188 HydrophobicContact CD1-CG2 3.79Å; F64-V188 HydrophobicContact CD2-CG2 3.6Å; F64-V188 HydrophobicContact CE1-CG2 3.98Å; F64-V188 HydrophobicContact CE2-CG2 3.81Å; F64-V188 HydrophobicContact CG-CG2 3.59Å; F64-V188 HydrophobicContact CZ-CG2 3.98Å
65S85.9Confident88.1Confident23 Ų2336.3 Ų36.316%0.16119%0.192CC..  trans-51129.7178.6173.10000111.2S62 G63 R67 R68 C69S62-S65 PolarHBondContact O-N 3.07Å; S62-S65 PolarHBondContact OG-N 3.3Å; G63-S65 VanDerWaalsContact C-N 3.32Å; G63-S65 PolarHBondContact O-N 3.4Å; S65-R67 PolarHBondContact O-N 3.44Å; S65-R67 VanDerWaalsContact O-N 3.16Å; S65-R68 WeakPolarHBondContact O-CB 3.15Å; S65-R68 PolarHBondContact O-N 3.49Å; S65-C69 PolarHBondContact O-N 3.1Å; S65-C69 PolarHBondContact O-SG 2.9Å
66H82.8Confident87.7Confident44 Ų4438 Ų3820%0.20420%0.2CC..Hα-helixtrans-48.2-45.1176.8168.351.8000112.9F64 R68 C69 L70 E105 R108F64-H66 PolarHBondContact O-N 3.35Å; H66-R68 VanDerWaalsContact C-N 3.29Å; H66-R68 PolarHBondContact O-N 3.42Å; H66-C69 PolarHBondContact O-N 3.11Å; H66-L70 WeakPolarHBondContact O-CB 3.17Å; H66-L70 PolarHBondContact O-N 3.12Å; H66-E105 IonicContact CE1-OE1 3.93Å; H66-E105 PolarHBondContact CE1-OE1 3.47Å; H66-E105 IonicContact CE1-OE2 3.31Å; H66-E105 IonicContact CG-OE2 2.66Å; H66-E105 IonicContact ND1-OE1 4Å; H66-E105 PolarHBondContact ND1-OE1 3.16Å; H66-E105 IonicContact ND1-OE2 3.41Å; H66-E105 PolarHBondContact ND1-OE2 2.7Å; H66-R108 PolarHBondContact CD2-NH2 3.24Å; H66-R108 PolarHBondContact CE1-NE 3.46Å; H66-R108 PolarHBondContact ND1-NE 2.63Å; H66-R108 PolarHBondContact NE2-NH2 3.36Å; H66-R108 VanDerWaalsContact NE2-NH2 3.19Å
67R79.9Confident87.6Confident92 Ų9230.9 Ų30.935%0.34717%0.173SC..Hα-helixtrans-63.5-35.8-178-71.4179177.1169.6-3.7112.4D5 D8 S65 A71D5-R67 IonicContact OD1-CZ 3.27Å; D5-R67 VanDerWaalsContact OD1-CZ 3.24Å; D5-R67 IonicContact OD1-NH1 3.21Å; D5-R67 PolarHBondContact OD1-NH1 2.85Å; D5-R67 IonicContact OD1-NH2 2.69Å; D5-R67 PolarHBondContact OD1-NH2 3.37Å; D8-R67 VanDerWaalsContact OD2-CD 3.31Å; D8-R67 WeakPolarHBondContact OD2-CD 3.41Å; D8-R67 IonicContact OD2-CZ 3.94Å; D8-R67 IonicContact OD2-NH1 3.93Å; D8-R67 PolarHBondContact OD2-NH1 2.7Å; S65-R67 PolarHBondContact O-N 3.44Å; S65-R67 VanDerWaalsContact O-N 3.16Å; R67-A71 WeakPolarHBondContact O-CB 3.31Å; R67-A71 PolarHBondContact O-N 3.37Å
68R87.2Confident87.7Confident28 Ų2826.6 Ų26.611%0.10615%0.153CC..Hα-helixtrans-72-45.5176.6-61.7-71.4176.4139.8-5.9110.8V7 D8 S11 E58 S65 H66 A71 L72V7-R68 PolarHBondContact O-NH2 2.9Å; D8-R68 IonicContact OD1-NE 3.33Å; D8-R68 IonicContact OD1-NH2 3.37Å; S11-R68 VanDerWaalsContact CB-NH2 3.26Å; S11-R68 WeakPolarHBondContact OG-CD 3.4Å; S11-R68 PolarHBondContact OG-NE 3.18Å; S11-R68 PolarHBondContact OG-NH1 2.58Å; S11-R68 PolarHBondContact OG-NH2 3.17Å; E58-R68 IonicContact OE2-CZ 3.29Å; E58-R68 IonicContact OE2-NH1 2.77Å; E58-R68 PolarHBondContact OE2-NH1 3.26Å; S65-R68 WeakPolarHBondContact O-CB 3.15Å; S65-R68 PolarHBondContact O-N 3.49Å; H66-R68 VanDerWaalsContact C-N 3.29Å; H66-R68 PolarHBondContact O-N 3.42Å; R68-A71 PolarHBondContact O-N 3.47Å; R68-L72 PolarHBondContact O-N 2.93Å; R68-L72 VanDerWaalsContact O-N 3.09Å
69C89.9Confident87.5Confident5 Ų528.5 Ų28.53%0.03416%0.162CC..Hα-helixtrans-60.8-47.7176.9-66.70000110.8S65 H66 A71 L72 E73 M102 E105S65-C69 PolarHBondContact O-N 3.1Å; S65-C69 PolarHBondContact O-SG 2.9Å; H66-C69 PolarHBondContact O-N 3.11Å; C69-A71 VanDerWaalsContact C-N 3.33Å; C69-A71 PolarHBondContact O-N 3.33Å; C69-L72 PolarHBondContact O-N 3.17Å; C69-E73 VanDerWaalsContact O-CB 3.32Å; C69-E73 WeakPolarHBondContact O-CB 3.38Å; C69-E73 PolarHBondContact O-N 3Å; C69-M102 HydrophobicContact CB-CE 4.06Å; C69-E105 HydrophobicContact CB-CB 3.92Å; C69-E105 HydrophobicContact CB-CG 3.75Å; C69-E105 WeakPolarHBondContact CB-OE2 3.22Å
70L84.2Confident87.2Confident38 Ų3830.6 Ų30.620%0.19917%0.172CC..Hα-helixtrans-60-42.3176.9179.963.6000111.5H66 L72 E73 L74 E105H66-L70 WeakPolarHBondContact O-CB 3.17Å; H66-L70 PolarHBondContact O-N 3.12Å; L70-L72 VanDerWaalsContact C-N 3.33Å; L70-L72 PolarHBondContact O-N 2.9Å; L70-E73 PolarHBondContact O-N 3.34Å; L70-L74 HydrophobicContact CD1-CD1 4.18Å; L70-L74 HydrophobicContact CD1-CD2 4.49Å; L70-L74 HydrophobicContact CD1-CG 4.02Å; L70-L74 HydrophobicContact CG-CD1 3.98Å; L70-L74 HydrophobicContact CG-CG 4.26Å; L70-L74 WeakPolarHBondContact O-CB 3.37Å; L70-L74 VanDerWaalsContact O-CG 3.24Å; L70-L74 WeakPolarHBondContact O-CG 3.46Å; L70-L74 PolarHBondContact O-N 3.11Å; L70-E105 HydrophobicContact CB-CG 4.41Å
71A84.5Confident87.2Confident5 Ų529.6 Ų29.64%0.04117%0.166CC..Hα-helixtrans-62.2-39.9177.200000112.6Q12 I15 R67 R68 C69 N75Q12-A71 HydrophobicContact CG-CB 3.99Å; I15-A71 HydrophobicContact CB-CB 4.42Å; I15-A71 HydrophobicContact CD1-CB 3.77Å; I15-A71 HydrophobicContact CG2-CB 4.22Å; R67-A71 WeakPolarHBondContact O-CB 3.31Å; R67-A71 PolarHBondContact O-N 3.37Å; R68-A71 PolarHBondContact O-N 3.47Å; C69-A71 VanDerWaalsContact C-N 3.33Å; C69-A71 PolarHBondContact O-N 3.33Å; A71-N75 WeakPolarHBondContact O-CB 3.48Å; A71-N75 PolarHBondContact O-N 3.05Å; A71-N75 PolarHBondContact O-ND2 3.25Å
72L90.5Very high87.4Confident1 Ų125.8 Ų25.81%0.00514%0.135CC..Hα-helixtrans-68.6-42.5175-73.8164.2000111.6I15 W23 I54 L59 R68 C69 L70 N75 Q76 Y77 M102I15-L72 HydrophobicContact CD1-CG 4.33Å; I15-L72 HydrophobicContact CG2-CD2 3.65Å; I15-L72 HydrophobicContact CG2-CG 3.99Å; W23-L72 HydrophobicContact CH2-CD2 4.3Å; W23-L72 HydrophobicContact CZ2-CD2 4.42Å; I54-L72 HydrophobicContact CG2-CD1 3.99Å; I54-L72 HydrophobicContact CG2-CD2 3.78Å; L59-L72 HydrophobicContact CD1-CD1 4.46Å; L59-L72 HydrophobicContact CD2-CD1 3.56Å; L59-L72 HydrophobicContact CG-CD1 4Å; R68-L72 PolarHBondContact O-N 2.93Å; R68-L72 VanDerWaalsContact O-N 3.09Å; C69-L72 PolarHBondContact O-N 3.17Å; L70-L72 VanDerWaalsContact C-N 3.33Å; L70-L72 PolarHBondContact O-N 2.9Å; L72-N75 CarbonylContact O-C 3.27Å; L72-N75 PolarHBondContact O-N 3.34Å; L72-Q76 PolarHBondContact O-N 2.98Å; L72-Y77 HydrophobicContact CB-CD1 3.89Å; L72-Y77 HydrophobicContact CB-CG 4.23Å; L72-Y77 HydrophobicContact CD1-CD1 4.15Å; L72-Y77 HydrophobicContact CD1-CE1 4.2Å; L72-Y77 HydrophobicContact CD2-CD1 3.93Å; L72-Y77 HydrophobicContact CD2-CD2 4.45Å; L72-Y77 HydrophobicContact CD2-CE1 4.25Å; L72-Y77 HydrophobicContact CD2-CG 4.05Å; L72-Y77 HydrophobicContact CG-CD1 4.21Å; L72-Y77 WeakPolarHBondContact O-CB 3.37Å; L72-Y77 PolarHBondContact O-N 3.02Å; L72-Y77 VanDerWaalsContact O-N 3.1Å; L72-M102 HydrophobicContact CB-CE 3.98Å; L72-M102 HydrophobicContact CB-SD 3.78Å; L72-M102 HydrophobicContact CD1-CE 4.2Å
73E87.9Confident87.7Confident2 Ų224.3 Ų24.31%0.00912%0.123CC..Hα-helixtrans-65.8-43.8-179.3-171.2-78.4151.800111.8C69 L70 N75 Q76 M102 E105 K106 R1531C69-E73 VanDerWaalsContact O-CB 3.32Å; C69-E73 WeakPolarHBondContact O-CB 3.38Å; C69-E73 PolarHBondContact O-N 3Å; L70-E73 PolarHBondContact O-N 3.34Å; E73-N75 PolarHBondContact O-N 3.18Å; E73-Q76 WeakPolarHBondContact O-CA 3.38Å; E73-Q76 PolarHBondContact O-N 2.89Å; E73-M102 HydrophobicContact CB-SD 4.06Å; E73-E105 HydrophobicContact CB-CG 4.16Å; E73-E105 HydrophobicContact CG-CG 4.44Å; E73-K106 HydrophobicContact CG-CD 4.45Å; E73-K106 HydrophobicContact CG-CG 3.57Å; E73-K106 IonicContact OE1-NZ 3.39Å; E73-K106 PolarHBondContact OE1-NZ 3.23Å; E73-R1531 IonicContact OE1-CZ 3.4Å; E73-R1531 IonicContact OE1-NH2 2.73Å; E73-R1531 PolarHBondContact OE1-NH2 3.1Å; E73-R1531 IonicContact OE2-CZ 3.9Å; E73-R1531 IonicContact OE2-NH1 3.18Å; E73-R1531 PolarHBondContact OE2-NH1 3.19Å; E73-R1531 IonicContact OE2-NH2 3.98Å; E73-R1531 PolarHBondContact OE2-NH2 3.27Å
74L80.9Confident87.9Confident56 Ų5624.4 Ų24.429%0.29312%0.118SC..Hα-helixtrans-60.9-28.5173-72.6174.5000112.7L70 Q76L70-L74 HydrophobicContact CD1-CD1 4.18Å; L70-L74 HydrophobicContact CD1-CD2 4.49Å; L70-L74 HydrophobicContact CD1-CG 4.02Å; L70-L74 HydrophobicContact CG-CD1 3.98Å; L70-L74 HydrophobicContact CG-CG 4.26Å; L70-L74 WeakPolarHBondContact O-CB 3.37Å; L70-L74 VanDerWaalsContact O-CG 3.24Å; L70-L74 WeakPolarHBondContact O-CG 3.46Å; L70-L74 PolarHBondContact O-N 3.11Å; L74-Q76 VanDerWaalsContact C-N 3.26Å; L74-Q76 PolarHBondContact O-N 3Å
75N85Confident87.9Confident22 Ų2225.5 Ų25.512%0.11812%0.123CC..THydrogen-bonded Turntrans-85.812.3174-79.6-67000113S16 A19 W23 I24 A71 L72 E73 Y77S16-N75 PolarHBondContact OG-ND2 3.33Å; A19-N75 HydrophobicContact CB-CB 3.63Å; A19-N75 WeakPolarHBondContact CB-OD1 3.09Å; W23-N75 HydrophobicContact CZ2-CB 4.18Å; W23-N75 PolarHBondContact NE1-O 3.43Å; I24-N75 HydrophobicContact CD1-CB 4.26Å; I24-N75 WeakPolarHBondContact CD1-OD1 3.36Å; A71-N75 WeakPolarHBondContact O-CB 3.48Å; A71-N75 PolarHBondContact O-N 3.05Å; A71-N75 PolarHBondContact O-ND2 3.25Å; L72-N75 CarbonylContact O-C 3.27Å; L72-N75 PolarHBondContact O-N 3.34Å; E73-N75 PolarHBondContact O-N 3.18Å; N75-Y77 VanDerWaalsContact C-N 3.3Å; N75-Y77 PolarHBondContact O-N 3.39Å
76Q85.8Confident88.3Confident43 Ų4324.4 Ų24.420%0.20112%0.116CC..THydrogen-bonded Turntrans56.935.9179.1-56.1176.945.900114.2L72 E73 L74 L78 E79 Q80 P1560L72-Q76 PolarHBondContact O-N 2.98Å; E73-Q76 WeakPolarHBondContact O-CA 3.38Å; E73-Q76 PolarHBondContact O-N 2.89Å; L74-Q76 VanDerWaalsContact C-N 3.26Å; L74-Q76 PolarHBondContact O-N 3Å; Q76-L78 PolarHBondContact O-N 2.6Å; Q76-E79 PolarHBondContact O-N 2.9Å; Q76-Q80 HydrophobicContact CB-CB 4.35Å; Q76-Q80 HydrophobicContact CB-CG 3.66Å; Q76-Q80 WeakPolarHBondContact O-CB 3.31Å; Q76-Q80 PolarHBondContact O-N 3.17Å; Q76-Q80 VanDerWaalsContact OE1-NE2 3.12Å; Q76-P1560 HydrophobicContact CG-CB 4.29Å; Q76-P1560 HydrophobicContact CG-CG 3.52Å
77Y93Very high88.8Confident0 Ų026.5 Ų26.50%013%0.126CC..Hα-helixtrans-57.1-36.3-179.2-177.2-137000112.6W23 I54 L72 N75 W81 L82 M102W23-Y77 HydrophobicContact CD2-CD2 4.46Å; W23-Y77 HydrophobicContact CH2-CD2 4.31Å; W23-Y77 HydrophobicContact CZ2-CD2 4.13Å; I54-Y77 HydrophobicContact CD1-CE2 4.21Å; I54-Y77 HydrophobicContact CG2-CE1 4.23Å; L72-Y77 HydrophobicContact CB-CD1 3.89Å; L72-Y77 HydrophobicContact CB-CG 4.23Å; L72-Y77 HydrophobicContact CD1-CD1 4.15Å; L72-Y77 HydrophobicContact CD1-CE1 4.2Å; L72-Y77 HydrophobicContact CD2-CD1 3.93Å; L72-Y77 HydrophobicContact CD2-CD2 4.45Å; L72-Y77 HydrophobicContact CD2-CE1 4.25Å; L72-Y77 HydrophobicContact CD2-CG 4.05Å; L72-Y77 HydrophobicContact CG-CD1 4.21Å; L72-Y77 WeakPolarHBondContact O-CB 3.37Å; L72-Y77 PolarHBondContact O-N 3.02Å; L72-Y77 VanDerWaalsContact O-N 3.1Å; N75-Y77 VanDerWaalsContact C-N 3.3Å; N75-Y77 PolarHBondContact O-N 3.39Å; Y77-W81 AromaticContact CD2-CE3 3.71Å; Y77-W81 HydrophobicContact CD2-CE3 3.71Å; Y77-W81 HydrophobicContact CD2-CZ3 4.35Å; Y77-W81 AromaticContact CE2-CE3 3.36Å; Y77-W81 HydrophobicContact CE2-CE3 3.36Å; Y77-W81 AromaticContact CE2-CZ3 3.64Å; Y77-W81 HydrophobicContact CE2-CZ3 3.64Å; Y77-L82 HydrophobicContact CD1-CD1 3.64Å; Y77-L82 HydrophobicContact CD1-CG 4.16Å; Y77-L82 HydrophobicContact CD2-CG 4.14Å; Y77-L82 HydrophobicContact CE1-CD1 3.58Å; Y77-L82 HydrophobicContact CE1-CD2 4.13Å; Y77-L82 HydrophobicContact CE1-CG 4.03Å; Y77-L82 HydrophobicContact CE2-CD1 4.43Å; Y77-L82 HydrophobicContact CE2-CD2 3.89Å; Y77-L82 HydrophobicContact CE2-CG 3.98Å; Y77-L82 HydrophobicContact CG-CD1 4.13Å; Y77-L82 HydrophobicContact CG-CG 4.22Å; Y77-L82 WeakPolarHBondContact O-CG 3.46Å; Y77-L82 PolarHBondContact O-N 3.17Å; Y77-M102 HydrophobicContact CD1-CE 4.46Å; Y77-M102 HydrophobicContact CD1-CG 3.89Å; Y77-M102 HydrophobicContact CD1-SD 3.8Å
78L92.2Very high89.2Confident0 Ų023.3 Ų23.30%012%0.117CC..Iπ-helixtrans-71.8-56.5178.7179.362.8000112.3Q76 L82 W83 I99 M102 V103 K106 T116 F117Q76-L78 PolarHBondContact O-N 2.6Å; L78-L82 HydrophobicContact CD1-CB 4.34Å; L78-L82 PolarHBondContact O-N 3.14Å; L78-W83 HydrophobicContact CD1-CB 4.18Å; L78-W83 WeakPolarHBondContact O-CB 3.47Å; L78-W83 PolarHBondContact O-N 2.93Å; L78-I99 HydrophobicContact CD1-CB 4.39Å; L78-I99 HydrophobicContact CD1-CG1 4.2Å; L78-I99 HydrophobicContact CD1-CG2 4.01Å; L78-M102 HydrophobicContact CB-CB 3.94Å; L78-M102 HydrophobicContact CB-CG 4.24Å; L78-M102 HydrophobicContact CD1-CB 4.43Å; L78-M102 HydrophobicContact CD2-CB 4.28Å; L78-M102 HydrophobicContact CG-CB 4.44Å; L78-V103 HydrophobicContact CD2-CG2 4.31Å; L78-K106 HydrophobicContact CD2-CD 3.86Å; L78-T116 HydrophobicContact CG-CG2 4.47Å; L78-F117 HydrophobicContact CD1-CZ 4.33Å; L78-F117 HydrophobicContact CD2-CZ 4.18Å
79E87Confident89.3Confident40 Ų4029.4 Ų29.419%0.18715%0.152CC..Iπ-helixtrans-73.4-37.6-170.1-63.480.5-179.300113Q76 P84 K106 T116Q76-E79 PolarHBondContact O-N 2.9Å; E79-P84 WeakPolarHBondContact O-CD 3.4Å; E79-P84 WeakPolarHBondContact O-CG 3.41Å; E79-K106 WeakPolarHBondContact OE1-CE 3.45Å; E79-K106 IonicContact OE1-NZ 2.68Å; E79-K106 PolarHBondContact OE1-NZ 3.42Å; E79-T116 HydrophobicContact CG-CG2 4.05Å
80Q86.8Confident89.3Confident45 Ų4534.8 Ų34.821%0.2119%0.185CC..Iπ-helixtrans-94.1-16.9-173.9-63.7-66.9-25.300113.5Q76Q76-Q80 HydrophobicContact CB-CB 4.35Å; Q76-Q80 HydrophobicContact CB-CG 3.66Å; Q76-Q80 WeakPolarHBondContact O-CB 3.31Å; Q76-Q80 PolarHBondContact O-N 3.17Å; Q76-Q80 VanDerWaalsContact OE1-NE2 3.12Å
81W92.2Very high89.7Confident0 Ų033.4 Ų33.40%018%0.178CC..Iπ-helixtrans-137-52.1-172.1-148.637.6000115.2W23 F46 Q47 V50 M51 I54 Y77 H85W23-W81 HydrophobicContact CB-CB 3.53Å; W23-W81 HydrophobicContact CB-CD2 3.86Å; W23-W81 HydrophobicContact CB-CE3 4.37Å; W23-W81 HydrophobicContact CB-CG 3.42Å; W23-W81 VanDerWaalsContact CB-CG 3.42Å; W23-W81 HydrophobicContact CD2-CB 4.46Å; W23-W81 HydrophobicContact CD2-CD2 4.25Å; W23-W81 AromaticContact CD2-CE3 3.84Å; W23-W81 HydrophobicContact CD2-CE3 3.84Å; W23-W81 HydrophobicContact CD2-CG 4.49Å; W23-W81 AromaticContact CE3-CD2 3.89Å; W23-W81 HydrophobicContact CE3-CD2 3.89Å; W23-W81 AromaticContact CE3-CE3 3.27Å; W23-W81 HydrophobicContact CE3-CE3 3.27Å; W23-W81 HydrophobicContact CE3-CH2 4.35Å; W23-W81 AromaticContact CE3-CZ3 3.56Å; W23-W81 HydrophobicContact CE3-CZ3 3.56Å; W23-W81 HydrophobicContact CG-CB 3.86Å; W23-W81 HydrophobicContact CG-CD2 4.28Å; W23-W81 HydrophobicContact CG-CE3 4.32Å; W23-W81 HydrophobicContact CG-CG 4.06Å; W23-W81 AromaticContact CZ3-CE3 3.86Å; W23-W81 HydrophobicContact CZ3-CE3 3.86Å; W23-W81 AromaticContact CZ3-CZ3 3.75Å; W23-W81 HydrophobicContact CZ3-CZ3 3.75Å; F46-W81 HydrophobicContact CD2-CZ2 4.49Å; F46-W81 AromaticContact CD2-NE1 3.87Å; Q47-W81 HydrophobicContact CB-CZ2 4.41Å; V50-W81 HydrophobicContact CB-CH2 3.91Å; V50-W81 HydrophobicContact CG1-CH2 3.77Å; M51-W81 HydrophobicContact CB-CH2 4.18Å; M51-W81 HydrophobicContact CB-CZ3 4.31Å; I54-W81 HydrophobicContact CD1-CZ3 3.8Å; Y77-W81 AromaticContact CD2-CE3 3.71Å; Y77-W81 HydrophobicContact CD2-CE3 3.71Å; Y77-W81 HydrophobicContact CD2-CZ3 4.35Å; Y77-W81 AromaticContact CE2-CE3 3.36Å; Y77-W81 HydrophobicContact CE2-CE3 3.36Å; Y77-W81 AromaticContact CE2-CZ3 3.64Å; Y77-W81 HydrophobicContact CE2-CZ3 3.64Å; W81-H85 AromaticContact CD1-CE1 3.95Å; W81-H85 AromaticContact CD1-ND1 3.91Å; W81-H85 PolarHBondContact O-ND1 2.9Å
82L94.2Very high90.2Very high0 Ų035.3 Ų35.30%019%0.191CC..Iπ-helixtrans-71.7-56.3-175.5-66.6176.8000112.7M51 Y77 L78 F86 H95 I99 M102M51-L82 HydrophobicContact CG-CD2 3.79Å; Y77-L82 HydrophobicContact CD1-CD1 3.64Å; Y77-L82 HydrophobicContact CD1-CG 4.16Å; Y77-L82 HydrophobicContact CD2-CG 4.14Å; Y77-L82 HydrophobicContact CE1-CD1 3.58Å; Y77-L82 HydrophobicContact CE1-CD2 4.13Å; Y77-L82 HydrophobicContact CE1-CG 4.03Å; Y77-L82 HydrophobicContact CE2-CD1 4.43Å; Y77-L82 HydrophobicContact CE2-CD2 3.89Å; Y77-L82 HydrophobicContact CE2-CG 3.98Å; Y77-L82 HydrophobicContact CG-CD1 4.13Å; Y77-L82 HydrophobicContact CG-CG 4.22Å; Y77-L82 WeakPolarHBondContact O-CG 3.46Å; Y77-L82 PolarHBondContact O-N 3.17Å; L78-L82 HydrophobicContact CD1-CB 4.34Å; L78-L82 PolarHBondContact O-N 3.14Å; L82-F86 PolarHBondContact O-N 3.31Å; L82-F86 VanDerWaalsContact O-N 3.09Å; L82-H95 PolarHBondContact O-NE2 3.34Å; L82-I99 HydrophobicContact CB-CG1 3.89Å; L82-I99 HydrophobicContact CD1-CG1 4.18Å; L82-M102 HydrophobicContact CD1-CG 3.98Å
83W94Very high90.3Very high10 Ų1038.3 Ų38.34%0.03820%0.202CC..THydrogen-bonded Turntrans-69-44.6-172.6-178.1-115.6000113.8L78 H85 F86 I99 T116 F117 T120 K123 F124 L127L78-W83 HydrophobicContact CD1-CB 4.18Å; L78-W83 WeakPolarHBondContact O-CB 3.47Å; L78-W83 PolarHBondContact O-N 2.93Å; W83-H85 PolarHBondContact O-N 3.05Å; W83-F86 HydrophobicContact CE3-CB 4.06Å; W83-F86 HydrophobicContact CE3-CD1 4.07Å; W83-F86 HydrophobicContact CE3-CG 4.28Å; W83-F86 HydrophobicContact CH2-CD1 4.36Å; W83-F86 HydrophobicContact CZ3-CB 4.42Å; W83-F86 AromaticContact CZ3-CD1 3.56Å; W83-F86 HydrophobicContact CZ3-CD1 3.56Å; W83-F86 HydrophobicContact CZ3-CE1 4.18Å; W83-F86 HydrophobicContact CZ3-CG 4.21Å; W83-F86 WeakPolarHBondContact O-CB 3.43Å; W83-F86 PolarHBondContact O-N 3.17Å; W83-F86 VanDerWaalsContact O-N 3.08Å; W83-I99 HydrophobicContact CE3-CD1 4.45Å; W83-T116 HydrophobicContact CB-CG2 4.21Å; W83-T116 VanDerWaalsContact CD1-O 3.32Å; W83-T116 HydrophobicContact CG-CG2 4.06Å; W83-T116 PolarHBondContact NE1-O 3.49Å; W83-F117 AromaticContact CD2-CD1 3.66Å; W83-F117 HydrophobicContact CD2-CD1 3.66Å; W83-F117 AromaticContact CD2-CE1 3.74Å; W83-F117 HydrophobicContact CD2-CE1 3.74Å; W83-F117 AromaticContact CE2-CD1 3.57Å; W83-F117 AromaticContact CE3-CD1 3.73Å; W83-F117 HydrophobicContact CE3-CD1 3.73Å; W83-F117 AromaticContact CE3-CE1 3.54Å; W83-F117 HydrophobicContact CE3-CE1 3.54Å; W83-F117 HydrophobicContact CG-CD1 4.41Å; W83-F117 HydrophobicContact CG-CE1 4.34Å; W83-F117 AromaticContact CH2-CD1 3.65Å; W83-F117 HydrophobicContact CH2-CD1 3.65Å; W83-F117 HydrophobicContact CH2-CE1 4.21Å; W83-F117 HydrophobicContact CZ2-CB 4.39Å; W83-F117 AromaticContact CZ2-CD1 3.58Å; W83-F117 HydrophobicContact CZ2-CD1 3.58Å; W83-F117 HydrophobicContact CZ2-CE1 4.39Å; W83-F117 HydrophobicContact CZ2-CG 4.46Å; W83-F117 AromaticContact CZ3-CD1 3.72Å; W83-F117 HydrophobicContact CZ3-CD1 3.72Å; W83-F117 AromaticContact CZ3-CE1 3.8Å; W83-F117 HydrophobicContact CZ3-CE1 3.8Å; W83-T120 VanDerWaalsContact CE2-OG1 3.24Å; W83-T120 VanDerWaalsContact CZ2-OG1 3.26Å; W83-T120 WeakPolarHBondContact CZ2-OG1 3.45Å; W83-T120 PolarHBondContact NE1-OG1 2.83Å; W83-K123 HydrophobicContact CH2-CB 3.64Å; W83-K123 HydrophobicContact CZ2-CB 3.98Å; W83-K123 HydrophobicContact CZ3-CB 4.41Å; W83-F124 HydrophobicContact CH2-CB 4.17Å; W83-F124 HydrophobicContact CH2-CD2 4.39Å; W83-L127 HydrophobicContact CZ3-CD2 4.3Å
84P90.3Very high90.7Very high33 Ų3338.3 Ų38.321%0.21420%0.202CC..THydrogen-bonded Turntrans-57.3-34177.7-26.135.1000113.6Y43 E79Y43-P84 HydrophobicContact CD1-CB 4.46Å; Y43-P84 HydrophobicContact CD1-CG 4.18Å; Y43-P84 HydrophobicContact CD2-CB 4.07Å; Y43-P84 HydrophobicContact CE1-CB 4.48Å; Y43-P84 HydrophobicContact CE1-CG 3.91Å; Y43-P84 HydrophobicContact CE2-CB 4.09Å; Y43-P84 HydrophobicContact CE2-CG 4.26Å; Y43-P84 HydrophobicContact CG-CB 4.26Å; Y43-P84 HydrophobicContact CG-CG 4.47Å; E79-P84 WeakPolarHBondContact O-CD 3.4Å; E79-P84 WeakPolarHBondContact O-CG 3.41Å
85H92.3Very high91.5Very high48 Ų4835.7 Ų35.722%0.22219%0.189CC..THydrogen-bonded Turntrans-996.7-178.5-56.2104.6000113.6R44 F46 W81 W83 E87 H95R44-H85 PolarHBondContact O-CE1 3.31Å; R44-H85 PolarHBondContact O-NE2 3.44Å; F46-H85 HydrophobicContact CB-CB 3.95Å; F46-H85 HydrophobicContact CD1-CB 4.16Å; F46-H85 HydrophobicContact CD2-CB 3.63Å; F46-H85 AromaticContact CD2-CG 3.8Å; F46-H85 AromaticContact CD2-ND1 3.91Å; F46-H85 HydrophobicContact CE2-CB 4.13Å; F46-H85 HydrophobicContact CG-CB 3.66Å; F46-H85 AromaticContact CG-CG 3.81Å; W81-H85 AromaticContact CD1-CE1 3.95Å; W81-H85 AromaticContact CD1-ND1 3.91Å; W81-H85 PolarHBondContact O-ND1 2.9Å; W83-H85 PolarHBondContact O-N 3.05Å; H85-E87 PolarHBondContact O-N 2.9Å; H85-H95 PolarHBondContact O-CE1 3.5Å
86F94.6Very high92Very high0 Ų034.7 Ų34.70%018%0.183CC..  trans-75.8125.3174.8-179.6-103.9000110L82 W83 P88 S91 V96 I99 K123 L127L82-F86 PolarHBondContact O-N 3.31Å; L82-F86 VanDerWaalsContact O-N 3.09Å; W83-F86 HydrophobicContact CE3-CB 4.06Å; W83-F86 HydrophobicContact CE3-CD1 4.07Å; W83-F86 HydrophobicContact CE3-CG 4.28Å; W83-F86 HydrophobicContact CH2-CD1 4.36Å; W83-F86 HydrophobicContact CZ3-CB 4.42Å; W83-F86 AromaticContact CZ3-CD1 3.56Å; W83-F86 HydrophobicContact CZ3-CD1 3.56Å; W83-F86 HydrophobicContact CZ3-CE1 4.18Å; W83-F86 HydrophobicContact CZ3-CG 4.21Å; W83-F86 WeakPolarHBondContact O-CB 3.43Å; W83-F86 PolarHBondContact O-N 3.17Å; W83-F86 VanDerWaalsContact O-N 3.08Å; F86-P88 HydrophobicContact CE1-CG 4.13Å; F86-S91 WeakPolarHBondContact CD2-OG 3.41Å; F86-V96 HydrophobicContact CE2-CG2 3.95Å; F86-I99 HydrophobicContact CB-CD1 3.91Å; F86-I99 HydrophobicContact CD2-CD1 3.42Å; F86-I99 VanDerWaalsContact CD2-CD1 3.42Å; F86-I99 HydrophobicContact CE2-CD1 4.09Å; F86-I99 HydrophobicContact CG-CD1 3.71Å; F86-K123 WeakPolarHBondContact O-CD 3.46Å; F86-K123 PolarHBondContact O-NZ 2.98Å; F86-L127 HydrophobicContact CE1-CB 3.74Å; F86-L127 HydrophobicContact CE1-CD1 4.25Å; F86-L127 HydrophobicContact CE2-CD1 3.98Å; F86-L127 HydrophobicContact CZ-CB 3.85Å; F86-L127 HydrophobicContact CZ-CD1 3.69Å; F86-L127 HydrophobicContact CZ-CG 4.39Å
87E92.3Very high92.6Very high88 Ų8832.6 Ų32.641%0.41117%0.174SC..  trans-127.2121.7171.6-69.5-56.2154.900109.7H85 D89 T90 S91 K123H85-E87 PolarHBondContact O-N 2.9Å; E87-D89 VanDerWaalsContact C-N 3.28Å; E87-D89 PolarHBondContact O-N 2.84Å; E87-D89 VanDerWaalsContact O-N 3.17Å; E87-T90 VanDerWaalsContact CB-OG1 3.26Å; E87-T90 WeakPolarHBondContact CB-OG1 3.19Å; E87-T90 PolarHBondContact O-N 3.19Å; E87-S91 PolarHBondContact N-OG 3.23Å; E87-S91 WeakPolarHBondContact O-CB 3.41Å; E87-S91 PolarHBondContact O-N 3.47Å; E87-S91 PolarHBondContact O-OG 2.85Å; E87-K123 WeakPolarHBondContact OE1-CE 3.38Å; E87-K123 IonicContact OE1-NZ 2.99Å; E87-K123 PolarHBondContact OE1-NZ 3.05Å; E87-K123 IonicContact OE2-NZ 3.9Å
88P88.9Confident92.8Very high25 Ų2532.6 Ų32.616%0.16217%0.174CC..THydrogen-bonded Turntrans-51.7-40.9-172.5-31.636.9000115.3F86 R130F86-P88 HydrophobicContact CE1-CG 4.13Å; P88-R130 PolarHBondContact O-NH1 3.26Å
89D88.6Confident93Very high157 Ų15732.6 Ų32.684%0.8417%0.174SC*.THydrogen-bonded Turntrans-85.6-26.1-172.1-58-39.1000113.3E87E87-D89 VanDerWaalsContact C-N 3.28Å; E87-D89 PolarHBondContact O-N 2.84Å; E87-D89 VanDerWaalsContact O-N 3.17Å
90T90Very high93.5Very high118 Ų11830.7 Ų30.772%0.72417%0.165SC*.THydrogen-bonded Turntrans-111.4-19.5-171.9610000114.1E87E87-T90 VanDerWaalsContact CB-OG1 3.26Å; E87-T90 WeakPolarHBondContact CB-OG1 3.19Å; E87-T90 PolarHBondContact O-N 3.19Å
91S93.6Very high94Very high9 Ų928.8 Ų28.86%0.06316%0.156CC..  trans-66.3138.8-175.7-58.70000112F86 E87 R130F86-S91 WeakPolarHBondContact CD2-OG 3.41Å; E87-S91 PolarHBondContact N-OG 3.23Å; E87-S91 WeakPolarHBondContact O-CB 3.41Å; E87-S91 PolarHBondContact O-N 3.47Å; E87-S91 PolarHBondContact O-OG 2.85Å; S91-R130 PolarHBondContact O-NH1 3.49Å; S91-R130 PolarHBondContact O-NH2 3.33Å
92S94.5Very high94.1Very high45 Ų4528.8 Ų28.832%0.31516%0.156SC..  trans-71.6163.417984.20000111.7M51 E52 A94 H95 V96M51-S92 WeakPolarHBondContact CE-OG 3.36Å; E52-S92 PolarHBondContact OE2-OG 2.82Å; S92-A94 VanDerWaalsContact C-N 3.29Å; S92-A94 PolarHBondContact O-N 2.95Å; S92-A94 PolarHBondContact OG-N 2.98Å; S92-H95 WeakPolarHBondContact O-CB 3.17Å; S92-H95 PolarHBondContact O-N 2.88Å; S92-H95 PolarHBondContact OG-N 2.99Å; S92-V96 PolarHBondContact O-N 2.76Å
93R93.3Very high94.1Very high64 Ų6428.8 Ų28.824%0.24216%0.156CC..Hα-helixtrans-56.2-41.7173.5180179.6177.7-79.11.1112.8Y55 H95 V96 L97 I134 E138 E185Y55-R93 PolarHBondContact OH-NH1 2.81Å; Y55-R93 VanDerWaalsContact OH-NH1 3.08Å; R93-H95 PolarHBondContact O-N 2.79Å; R93-V96 PolarHBondContact O-N 3.28Å; R93-L97 HydrophobicContact CG-CD1 4.06Å; R93-L97 PolarHBondContact O-N 2.89Å; R93-I134 HydrophobicContact CG-CD1 4.26Å; R93-E138 IonicContact NE-OE1 2.78Å; R93-E185 IonicContact CZ-OE1 2.79Å; R93-E185 IonicContact CZ-OE2 3.35Å; R93-E185 IonicContact NH1-OE1 3.12Å; R93-E185 PolarHBondContact NH1-OE1 2.88Å; R93-E185 IonicContact NH1-OE2 3.16Å; R93-E185 PolarHBondContact NH1-OE2 2.99Å; R93-E185 IonicContact NH2-OE1 3.35Å; R93-E185 PolarHBondContact NH2-OE1 3.48Å; R93-E185 IonicContact NH2-OE2 3.53Å; R93-E185 PolarHBondContact NH2-OE2 3.31Å
94A95.2Very high94.1Very high1 Ų129.2 Ų29.21%0.00816%0.159CC..Hα-helixtrans-60.4-34175.600000112.5M51 E52 Y55 S92 S98M51-A94 HydrophobicContact CE-CB 4.23Å; M51-A94 HydrophobicContact SD-CB 4.05Å; E52-A94 WeakPolarHBondContact OE2-CB 3.4Å; Y55-A94 HydrophobicContact CD1-CB 3.22Å; Y55-A94 HydrophobicContact CD2-CB 4.26Å; Y55-A94 HydrophobicContact CE1-CB 3.65Å; Y55-A94 HydrophobicContact CG-CB 3.56Å; S92-A94 VanDerWaalsContact C-N 3.29Å; S92-A94 PolarHBondContact O-N 2.95Å; S92-A94 PolarHBondContact OG-N 2.98Å; A94-S98 VanDerWaalsContact O-CB 3.24Å; A94-S98 WeakPolarHBondContact O-CB 3.18Å; A94-S98 PolarHBondContact O-N 2.94Å; A94-S98 PolarHBondContact O-OG 3.44Å
95H97.2Very high94.1Very high2 Ų228.1 Ų28.11%0.00915%0.152CC..Hα-helixtrans-65.2-49177.6-156.4155000110.8F46 M51 L82 H85 S92 R93 S98 I99F46-H95 AromaticContact CE1-CE1 3.99Å; F46-H95 AromaticContact CE2-CE1 3.96Å; F46-H95 AromaticContact CZ-CE1 3.4Å; F46-H95 WeakPolarHBondContact CZ-CE1 3.43Å; F46-H95 AromaticContact CZ-ND1 3.51Å; M51-H95 HydrophobicContact CE-CB 3.58Å; M51-H95 HydrophobicContact SD-CB 4.26Å; L82-H95 PolarHBondContact O-NE2 3.34Å; H85-H95 PolarHBondContact O-CE1 3.5Å; S92-H95 WeakPolarHBondContact O-CB 3.17Å; S92-H95 PolarHBondContact O-N 2.88Å; S92-H95 PolarHBondContact OG-N 2.99Å; R93-H95 PolarHBondContact O-N 2.79Å; H95-S98 PolarHBondContact O-N 3.12Å; H95-I99 WeakPolarHBondContact O-CG1 3.39Å; H95-I99 PolarHBondContact O-N 2.94Å
96V96.7Very high93.9Very high0 Ų026.2 Ų26.20%014%0.143CC..Hα-helixtrans-58.8-51.1177.2175.90000110.7F86 S92 R93 S98 I99 C100 L127 R130 V131 I134F86-V96 HydrophobicContact CE2-CG2 3.95Å; S92-V96 PolarHBondContact O-N 2.76Å; R93-V96 PolarHBondContact O-N 3.28Å; V96-S98 VanDerWaalsContact C-N 3.32Å; V96-S98 PolarHBondContact O-N 3.42Å; V96-I99 PolarHBondContact O-N 2.89Å; V96-C100 PolarHBondContact O-N 3.36Å; V96-C100 PolarHBondContact O-SG 3.36Å; V96-C100 VanDerWaalsContact O-SG 3.4Å; V96-L127 HydrophobicContact CB-CD1 4.5Å; V96-L127 HydrophobicContact CG1-CD1 3.93Å; V96-L127 HydrophobicContact CG2-CD1 4.44Å; V96-R130 HydrophobicContact CG2-CB 4.07Å; V96-V131 HydrophobicContact CG1-CG2 3.76Å; V96-I134 HydrophobicContact CB-CD1 4.12Å; V96-I134 HydrophobicContact CG1-CD1 3.82Å
97L97.3Very high93.4Very high0 Ų027.2 Ų27.20%015%0.15CC..Hα-helixtrans-62.6-37.4179.5-75.1165.1000112.7Y55 R93 C100 A101 E185 L189Y55-L97 HydrophobicContact CD2-CB 4.38Å; Y55-L97 HydrophobicContact CE2-CB 3.94Å; Y55-L97 HydrophobicContact CE2-CD1 3.83Å; R93-L97 HydrophobicContact CG-CD1 4.06Å; R93-L97 PolarHBondContact O-N 2.89Å; L97-C100 PolarHBondContact O-N 2.93Å; L97-A101 VanDerWaalsContact O-CB 3.29Å; L97-A101 WeakPolarHBondContact O-CB 3.25Å; L97-A101 PolarHBondContact O-N 2.99Å; L97-E185 HydrophobicContact CD1-CB 4.12Å; L97-E185 HydrophobicContact CD1-CG 3.79Å; L97-E185 WeakPolarHBondContact CD1-OE1 3.4Å; L97-E185 HydrophobicContact CD2-CB 3.76Å; L97-E185 HydrophobicContact CD2-CG 4.12Å; L97-L189 HydrophobicContact CD2-CD1 4.18Å; L97-L189 HydrophobicContact CD2-CD2 3.78Å; L97-L189 HydrophobicContact CD2-CG 3.83Å
98S97.4Very high92.9Very high0 Ų025.7 Ų25.70%014%0.141CC..Hα-helixtrans-64.6-41.3175.5-62.10000111.5A94 H95 V96 A101 M102A94-S98 VanDerWaalsContact O-CB 3.24Å; A94-S98 WeakPolarHBondContact O-CB 3.18Å; A94-S98 PolarHBondContact O-N 2.94Å; A94-S98 PolarHBondContact O-OG 3.44Å; H95-S98 PolarHBondContact O-N 3.12Å; V96-S98 VanDerWaalsContact C-N 3.32Å; V96-S98 PolarHBondContact O-N 3.42Å; S98-A101 PolarHBondContact O-N 3.35Å; S98-M102 VanDerWaalsContact O-CG 3.28Å; S98-M102 WeakPolarHBondContact O-CG 3.26Å; S98-M102 PolarHBondContact O-N 2.96Å
99I97Very high92.2Very high0 Ų026.2 Ų26.20%015%0.151CC..Hα-helixtrans-61.4-51175.2-69.3166.4000110L78 L82 W83 F86 H95 V96 A101 M102 V103 F117 L127L78-I99 HydrophobicContact CD1-CB 4.39Å; L78-I99 HydrophobicContact CD1-CG1 4.2Å; L78-I99 HydrophobicContact CD1-CG2 4.01Å; L82-I99 HydrophobicContact CB-CG1 3.89Å; L82-I99 HydrophobicContact CD1-CG1 4.18Å; W83-I99 HydrophobicContact CE3-CD1 4.45Å; F86-I99 HydrophobicContact CB-CD1 3.91Å; F86-I99 HydrophobicContact CD2-CD1 3.42Å; F86-I99 VanDerWaalsContact CD2-CD1 3.42Å; F86-I99 HydrophobicContact CE2-CD1 4.09Å; F86-I99 HydrophobicContact CG-CD1 3.71Å; H95-I99 WeakPolarHBondContact O-CG1 3.39Å; H95-I99 PolarHBondContact O-N 2.94Å; V96-I99 PolarHBondContact O-N 2.89Å; I99-A101 VanDerWaalsContact C-N 3.34Å; I99-A101 PolarHBondContact O-N 3.45Å; I99-M102 PolarHBondContact O-N 2.94Å; I99-V103 HydrophobicContact CG2-CG2 4.49Å; I99-V103 WeakPolarHBondContact O-CG2 3.41Å; I99-V103 PolarHBondContact O-N 3.04Å; I99-F117 HydrophobicContact CG2-CE1 4.18Å; I99-F117 HydrophobicContact CG2-CZ 4.17Å; I99-L127 HydrophobicContact CD1-CD1 4.41Å; I99-L127 HydrophobicContact CG2-CD1 4.38Å; I99-L127 HydrophobicContact CG2-CD2 3.81Å
100C97.5Very high91.5Very high0 Ų022.9 Ų22.90%013%0.126CC..Hα-helixtrans-59.9-42.7179.3-65.20000112.1V96 L97 M102 V103 N104 V188 L189 F192V96-C100 PolarHBondContact O-N 3.36Å; V96-C100 PolarHBondContact O-SG 3.36Å; V96-C100 VanDerWaalsContact O-SG 3.4Å; L97-C100 PolarHBondContact O-N 2.93Å; C100-M102 PolarHBondContact O-N 3.4Å; C100-V103 PolarHBondContact O-N 3.5Å; C100-N104 PolarHBondContact O-N 3.39Å; C100-N104 PolarHBondContact O-ND2 3.22Å; C100-N104 PolarHBondContact O-OD1 3.39Å; C100-V188 HydrophobicContact CB-CG1 3.93Å; C100-L189 HydrophobicContact CB-CD2 3.99Å; C100-F192 HydrophobicContact CB-CB 3.89Å; C100-F192 HydrophobicContact CB-CD2 4.14Å; C100-F192 HydrophobicContact CB-CG 3.94Å
101A96Very high90.9Very high4 Ų418 Ų183%0.03310%0.096CC..Hα-helixtrans-61.8-41.5176.500000112.4L59 F64 L97 S98 I99 N104 E105 V188L59-A101 HydrophobicContact CD1-CB 4.47Å; F64-A101 HydrophobicContact CD1-CB 3.75Å; F64-A101 HydrophobicContact CE1-CB 3.96Å; L97-A101 VanDerWaalsContact O-CB 3.29Å; L97-A101 WeakPolarHBondContact O-CB 3.25Å; L97-A101 PolarHBondContact O-N 2.99Å; S98-A101 PolarHBondContact O-N 3.35Å; I99-A101 VanDerWaalsContact C-N 3.34Å; I99-A101 PolarHBondContact O-N 3.45Å; A101-N104 PolarHBondContact O-N 2.98Å; A101-E105 WeakPolarHBondContact O-CB 3.36Å; A101-E105 PolarHBondContact O-N 3.33Å; A101-V188 HydrophobicContact CB-CG1 4.08Å
102M95.5Very high90.3Very high0 Ų021.9 Ų21.90%012%0.122CC..Hα-helixtrans-66-40.4175.3-68.2-57.195.300111.9L59 C69 L72 E73 Y77 L78 L82 S98 I99 C100 N104 E105 K106L59-M102 HydrophobicContact CD2-CE 4.21Å; C69-M102 HydrophobicContact CB-CE 4.06Å; L72-M102 HydrophobicContact CB-CE 3.98Å; L72-M102 HydrophobicContact CB-SD 3.78Å; L72-M102 HydrophobicContact CD1-CE 4.2Å; E73-M102 HydrophobicContact CB-SD 4.06Å; Y77-M102 HydrophobicContact CD1-CE 4.46Å; Y77-M102 HydrophobicContact CD1-CG 3.89Å; Y77-M102 HydrophobicContact CD1-SD 3.8Å; L78-M102 HydrophobicContact CB-CB 3.94Å; L78-M102 HydrophobicContact CB-CG 4.24Å; L78-M102 HydrophobicContact CD1-CB 4.43Å; L78-M102 HydrophobicContact CD2-CB 4.28Å; L78-M102 HydrophobicContact CG-CB 4.44Å; L82-M102 HydrophobicContact CD1-CG 3.98Å; S98-M102 VanDerWaalsContact O-CG 3.28Å; S98-M102 WeakPolarHBondContact O-CG 3.26Å; S98-M102 PolarHBondContact O-N 2.96Å; I99-M102 PolarHBondContact O-N 2.94Å; C100-M102 PolarHBondContact O-N 3.4Å; M102-N104 PolarHBondContact O-N 3.48Å; M102-E105 PolarHBondContact O-N 3.42Å; M102-K106 WeakPolarHBondContact O-CG 3.48Å; M102-K106 PolarHBondContact O-N 3.27Å
103V94.7Very high89.9Confident0 Ų020.3 Ų20.30%011%0.109CC..Hα-helixtrans-60.5-45.3175.4168.40000111.4L78 I99 C100 E105 K106 A107 I113 F117 F192L78-V103 HydrophobicContact CD2-CG2 4.31Å; I99-V103 HydrophobicContact CG2-CG2 4.49Å; I99-V103 WeakPolarHBondContact O-CG2 3.41Å; I99-V103 PolarHBondContact O-N 3.04Å; C100-V103 PolarHBondContact O-N 3.5Å; V103-E105 VanDerWaalsContact C-N 3.31Å; V103-E105 PolarHBondContact O-N 2.97Å; V103-K106 PolarHBondContact O-N 2.92Å; V103-A107 WeakPolarHBondContact O-CB 3.4Å; V103-A107 PolarHBondContact O-N 3.14Å; V103-I113 HydrophobicContact CB-CG2 4.4Å; V103-I113 HydrophobicContact CG1-CD1 4.39Å; V103-I113 HydrophobicContact CG1-CG2 3.72Å; V103-I113 HydrophobicContact CG2-CG2 4.15Å; V103-F117 HydrophobicContact CG2-CE2 3.68Å; V103-F117 HydrophobicContact CG2-CZ 3.52Å; V103-F192 HydrophobicContact CB-CD2 3.89Å; V103-F192 HydrophobicContact CB-CE2 4.21Å; V103-F192 HydrophobicContact CG1-CD2 3.66Å; V103-F192 HydrophobicContact CG1-CE2 3.99Å; V103-F192 HydrophobicContact CG2-CD2 4.31Å; V103-F192 HydrophobicContact CG2-CE2 4.14Å
104N93.2Very high89.7Confident19 Ų1918.2 Ų18.210%0.10210%0.102CC..Hα-helixtrans-61.4-41.1177.5-63.5-11000111.6C100 A101 M102 A107 R108 V188 I191 F192 H195C100-N104 PolarHBondContact O-N 3.39Å; C100-N104 PolarHBondContact O-ND2 3.22Å; C100-N104 PolarHBondContact O-OD1 3.39Å; A101-N104 PolarHBondContact O-N 2.98Å; M102-N104 PolarHBondContact O-N 3.48Å; N104-A107 PolarHBondContact O-N 3.13Å; N104-R108 WeakPolarHBondContact O-CB 3.38Å; N104-R108 PolarHBondContact O-N 3.32Å; N104-V188 PolarHBondContact ND2-O 2.92Å; N104-I191 HydrophobicContact CB-CG2 3.99Å; N104-I191 VanDerWaalsContact CG-CG2 3.46Å; N104-F192 WeakPolarHBondContact OD1-CA 3.32Å; N104-F192 PolarHBondContact OD1-N 2.87Å; N104-F192 VanDerWaalsContact OD1-N 3.13Å; N104-H195 PolarHBondContact OD1-CD2 2.92Å
105E90Very high89.2Confident11 Ų1122 Ų225%0.05113%0.126CC..Hα-helixtrans-67.7-41.3177.5-173.257.3-128.200112.2H66 C69 L70 E73 A101 M102 V103 A107 R108 G109H66-E105 IonicContact CE1-OE1 3.93Å; H66-E105 PolarHBondContact CE1-OE1 3.47Å; H66-E105 IonicContact CE1-OE2 3.31Å; H66-E105 IonicContact CG-OE2 2.66Å; H66-E105 IonicContact ND1-OE1 4Å; H66-E105 PolarHBondContact ND1-OE1 3.16Å; H66-E105 IonicContact ND1-OE2 3.41Å; H66-E105 PolarHBondContact ND1-OE2 2.7Å; C69-E105 HydrophobicContact CB-CB 3.92Å; C69-E105 HydrophobicContact CB-CG 3.75Å; C69-E105 WeakPolarHBondContact CB-OE2 3.22Å; L70-E105 HydrophobicContact CB-CG 4.41Å; E73-E105 HydrophobicContact CB-CG 4.16Å; E73-E105 HydrophobicContact CG-CG 4.44Å; A101-E105 WeakPolarHBondContact O-CB 3.36Å; A101-E105 PolarHBondContact O-N 3.33Å; M102-E105 PolarHBondContact O-N 3.42Å; V103-E105 VanDerWaalsContact C-N 3.31Å; V103-E105 PolarHBondContact O-N 2.97Å; E105-A107 VanDerWaalsContact C-N 3.35Å; E105-A107 PolarHBondContact O-N 2.88Å; E105-R108 WeakPolarHBondContact O-CB 3.49Å; E105-R108 PolarHBondContact O-N 3.47Å; E105-G109 PolarHBondContact O-N 3.22Å
106K87.8Confident88.5Confident8 Ų823.1 Ų23.14%0.03513%0.133CC..Hα-helixtrans-61.9-42.1173.5-70.8-172.585.9770112E73 L78 E79 M102 V103 G109 R110 V111 P112 I113E73-K106 HydrophobicContact CG-CD 4.45Å; E73-K106 HydrophobicContact CG-CG 3.57Å; E73-K106 IonicContact OE1-NZ 3.39Å; E73-K106 PolarHBondContact OE1-NZ 3.23Å; L78-K106 HydrophobicContact CD2-CD 3.86Å; E79-K106 WeakPolarHBondContact OE1-CE 3.45Å; E79-K106 IonicContact OE1-NZ 2.68Å; E79-K106 PolarHBondContact OE1-NZ 3.42Å; M102-K106 WeakPolarHBondContact O-CG 3.48Å; M102-K106 PolarHBondContact O-N 3.27Å; V103-K106 PolarHBondContact O-N 2.92Å; K106-G109 CarbonylContact O-C 3.57Å; K106-G109 PolarHBondContact O-N 3.29Å; K106-R110 PolarHBondContact O-N 3.23Å; K106-V111 HydrophobicContact CB-CB 4.3Å; K106-V111 PolarHBondContact O-N 3.45Å; K106-P112 WeakPolarHBondContact CE-O 3.3Å; K106-I113 HydrophobicContact CB-CG1 3.91Å
107A85.5Confident88.1Confident20 Ų2023.3 Ų23.317%0.16513%0.134CC..Hα-helixtrans-60-46.8175.700000111.5V103 N104 E105 G109 R110 I113 H195V103-A107 WeakPolarHBondContact O-CB 3.4Å; V103-A107 PolarHBondContact O-N 3.14Å; N104-A107 PolarHBondContact O-N 3.13Å; E105-A107 VanDerWaalsContact C-N 3.35Å; E105-A107 PolarHBondContact O-N 2.88Å; A107-G109 VanDerWaalsContact C-N 3.32Å; A107-G109 PolarHBondContact O-N 2.92Å; A107-R110 PolarHBondContact O-N 3.07Å; A107-R110 VanDerWaalsContact O-N 3.08Å; A107-I113 HydrophobicContact CB-CD1 3.55Å; A107-H195 WeakPolarHBondContact CB-CE1 3.42Å; A107-H195 WeakPolarHBondContact CB-NE2 3.42Å
108R80.6Confident87.2Confident57 Ų5725 Ų2522%0.21514%0.144CC..Hα-helixtrans-59.3-40.9175.7178.1-175.5165.7139.41.3112.4H66 N104 E105 R110 S536H66-R108 PolarHBondContact CD2-NH2 3.24Å; H66-R108 PolarHBondContact CE1-NE 3.46Å; H66-R108 PolarHBondContact ND1-NE 2.63Å; H66-R108 PolarHBondContact NE2-NH2 3.36Å; H66-R108 VanDerWaalsContact NE2-NH2 3.19Å; N104-R108 WeakPolarHBondContact O-CB 3.38Å; N104-R108 PolarHBondContact O-N 3.32Å; E105-R108 WeakPolarHBondContact O-CB 3.49Å; E105-R108 PolarHBondContact O-N 3.47Å; R108-R110 VanDerWaalsContact C-N 3.29Å; R108-R110 PolarHBondContact O-N 3.35Å; R108-S536 PolarHBondContact NH1-O 3.25Å; R108-S536 PolarHBondContact NH2-O 3.3Å
109G75.3Confident86Confident35 Ų3529.8 Ų29.836%0.36117%0.173SC..THydrogen-bonded Turntrans-78.9-2.617600000115.3E105 K106 A107 V111E105-G109 PolarHBondContact O-N 3.22Å; K106-G109 CarbonylContact O-C 3.57Å; K106-G109 PolarHBondContact O-N 3.29Å; A107-G109 VanDerWaalsContact C-N 3.32Å; A107-G109 PolarHBondContact O-N 2.92Å; G109-V111 PolarHBondContact O-N 2.91Å
110R74Confident85Confident87 Ų8732 Ų3233%0.32819%0.187SC..THydrogen-bonded Turntrans52.435.8-172-68.2-178.6160.2170.4-30.4114.6K106 A107 R108 N1356 N1357K106-R110 PolarHBondContact O-N 3.23Å; A107-R110 PolarHBondContact O-N 3.07Å; A107-R110 VanDerWaalsContact O-N 3.08Å; R108-R110 VanDerWaalsContact C-N 3.29Å; R108-R110 PolarHBondContact O-N 3.35Å; R110-N1356 PolarHBondContact NH1-ND2 2.91Å; R110-N1356 PolarHBondContact NH1-OD1 3.29Å; R110-N1356 VanDerWaalsContact NH1-OD1 3.1Å; R110-N1356 PolarHBondContact NH2-O 2.95Å; R110-N1356 PolarHBondContact NH2-OD1 3.31Å; R110-N1357 PolarHBondContact NE-OD1 2.89Å; R110-N1357 PolarHBondContact NH1-OD1 3.04Å
111V77.3Confident84Confident15 Ų1533 Ų339%0.09120%0.195CC..  trans-84.8141.3172.7-172.50000107.9K106 G109 I113 R1531 E1561K106-V111 HydrophobicContact CB-CB 4.3Å; K106-V111 PolarHBondContact O-N 3.45Å; G109-V111 PolarHBondContact O-N 2.91Å; V111-I113 WeakPolarHBondContact O-CG1 3.2Å; V111-I113 PolarHBondContact O-N 3.39Å; V111-I113 VanDerWaalsContact O-N 3.12Å; V111-R1531 VanDerWaalsContact CG2-CZ 3.43Å; V111-E1561 HydrophobicContact CG1-CG 4.26Å; V111-E1561 WeakPolarHBondContact CG1-OE1 3.06Å
112P80.4Confident83.3Confident92 Ų9239.2 Ų39.260%0.59723%0.228SC*.  trans-52.5121.4172.1-26.735.2000111.3K106 P115K106-P112 WeakPolarHBondContact CE-O 3.3Å; P112-P115 HydrophobicContact CB-CG 4.03Å
113I86.6Confident83Confident12 Ų1241.3 Ų41.36%0.06224%0.237CC..  trans-93.1-54.2-177.3-57.5171.2000110V103 K106 A107 V111 P115 F117V103-I113 HydrophobicContact CB-CG2 4.4Å; V103-I113 HydrophobicContact CG1-CD1 4.39Å; V103-I113 HydrophobicContact CG1-CG2 3.72Å; V103-I113 HydrophobicContact CG2-CG2 4.15Å; K106-I113 HydrophobicContact CB-CG1 3.91Å; A107-I113 HydrophobicContact CB-CD1 3.55Å; V111-I113 WeakPolarHBondContact O-CG1 3.2Å; V111-I113 PolarHBondContact O-N 3.39Å; V111-I113 VanDerWaalsContact O-N 3.12Å; I113-P115 VanDerWaalsContact C-CD 3.43Å; I113-F117 HydrophobicContact CG2-CD2 4.38Å; I113-F117 HydrophobicContact CG2-CE2 3.89Å
114W89Confident82.9Confident20 Ų2041.3 Ų41.38%0.07624%0.237CC..THydrogen-bonded Turntrans-71.9-28.1-163.1-48.9116.7000115.9T116 F117 V118 F124 H195 N199 V203 L206W114-T116 PolarHBondContact O-N 3.4Å; W114-T116 VanDerWaalsContact O-N 3.11Å; W114-F117 AromaticContact CE3-CD2 3.96Å; W114-F117 HydrophobicContact CE3-CD2 3.96Å; W114-F117 HydrophobicContact CE3-CE2 4.48Å; W114-F117 HydrophobicContact CZ3-CD2 4.39Å; W114-F117 PolarHBondContact O-N 2.97Å; W114-V118 WeakPolarHBondContact O-CG2 3.36Å; W114-V118 PolarHBondContact O-N 3.01Å; W114-V118 VanDerWaalsContact O-N 3.11Å; W114-F124 HydrophobicContact CZ3-CE2 4.24Å; W114-F124 HydrophobicContact CZ3-CZ 4.1Å; W114-H195 HydrophobicContact CZ2-CB 4.42Å; W114-H195 WeakPolarHBondContact CZ2-O 3.42Å; W114-N199 HydrophobicContact CZ2-CB 4Å; W114-N199 VanDerWaalsContact NE1-CG 3.29Å; W114-N199 PolarHBondContact NE1-OD1 3.45Å; W114-V203 HydrophobicContact CB-CG1 4.06Å; W114-V203 HydrophobicContact CB-CG2 3.88Å; W114-V203 HydrophobicContact CD2-CG2 4.13Å; W114-V203 HydrophobicContact CG-CG1 4.28Å; W114-V203 HydrophobicContact CG-CG2 3.52Å; W114-L206 HydrophobicContact CD2-CD1 4.03Å; W114-L206 HydrophobicContact CE3-CD1 4.13Å; W114-L206 HydrophobicContact CE3-CD2 4.06Å; W114-L206 HydrophobicContact CE3-CG 4.36Å; W114-L206 HydrophobicContact CH2-CD1 3.87Å; W114-L206 HydrophobicContact CH2-CD2 3.98Å; W114-L206 HydrophobicContact CZ2-CD1 3.74Å; W114-L206 HydrophobicContact CZ3-CD1 4.07Å; W114-L206 HydrophobicContact CZ3-CD2 3.65Å; W114-L206 HydrophobicContact CZ3-CG 4.32Å
115P83.3Confident82.7Confident81 Ų8142.5 Ų42.553%0.52625%0.246SC..Hα-helixtrans-52.7-34.8175.9-29.637000113.7P112 I113 F117 V118P112-P115 HydrophobicContact CB-CG 4.03Å; I113-P115 VanDerWaalsContact C-CD 3.43Å; P115-F117 VanDerWaalsContact C-N 3.3Å; P115-F117 PolarHBondContact O-N 2.98Å; P115-V118 PolarHBondContact O-N 3.12Å
116T83.3Confident82.8Confident25 Ų2542.5 Ų42.515%0.15325%0.249CC..Hα-helixtrans-60.9-37.9176.9-550000112.5L78 E79 W83 W114L78-T116 HydrophobicContact CG-CG2 4.47Å; E79-T116 HydrophobicContact CG-CG2 4.05Å; W83-T116 HydrophobicContact CB-CG2 4.21Å; W83-T116 VanDerWaalsContact CD1-O 3.32Å; W83-T116 HydrophobicContact CG-CG2 4.06Å; W83-T116 PolarHBondContact NE1-O 3.49Å; W114-T116 PolarHBondContact O-N 3.4Å; W114-T116 VanDerWaalsContact O-N 3.11Å
117F89.1Confident83.2Confident3 Ų342.1 Ų42.11%0.01325%0.248CC..Hα-helixtrans-87.6-21.3-176.3-59.4-71.4000113.3L78 W83 I99 V103 I113 W114 P115 T120 A121 F124 L127L78-F117 HydrophobicContact CD1-CZ 4.33Å; L78-F117 HydrophobicContact CD2-CZ 4.18Å; W83-F117 AromaticContact CD2-CD1 3.66Å; W83-F117 HydrophobicContact CD2-CD1 3.66Å; W83-F117 AromaticContact CD2-CE1 3.74Å; W83-F117 HydrophobicContact CD2-CE1 3.74Å; W83-F117 AromaticContact CE2-CD1 3.57Å; W83-F117 AromaticContact CE3-CD1 3.73Å; W83-F117 HydrophobicContact CE3-CD1 3.73Å; W83-F117 AromaticContact CE3-CE1 3.54Å; W83-F117 HydrophobicContact CE3-CE1 3.54Å; W83-F117 HydrophobicContact CG-CD1 4.41Å; W83-F117 HydrophobicContact CG-CE1 4.34Å; W83-F117 AromaticContact CH2-CD1 3.65Å; W83-F117 HydrophobicContact CH2-CD1 3.65Å; W83-F117 HydrophobicContact CH2-CE1 4.21Å; W83-F117 HydrophobicContact CZ2-CB 4.39Å; W83-F117 AromaticContact CZ2-CD1 3.58Å; W83-F117 HydrophobicContact CZ2-CD1 3.58Å; W83-F117 HydrophobicContact CZ2-CE1 4.39Å; W83-F117 HydrophobicContact CZ2-CG 4.46Å; W83-F117 AromaticContact CZ3-CD1 3.72Å; W83-F117 HydrophobicContact CZ3-CD1 3.72Å; W83-F117 AromaticContact CZ3-CE1 3.8Å; W83-F117 HydrophobicContact CZ3-CE1 3.8Å; I99-F117 HydrophobicContact CG2-CE1 4.18Å; I99-F117 HydrophobicContact CG2-CZ 4.17Å; V103-F117 HydrophobicContact CG2-CE2 3.68Å; V103-F117 HydrophobicContact CG2-CZ 3.52Å; I113-F117 HydrophobicContact CG2-CD2 4.38Å; I113-F117 HydrophobicContact CG2-CE2 3.89Å; W114-F117 AromaticContact CE3-CD2 3.96Å; W114-F117 HydrophobicContact CE3-CD2 3.96Å; W114-F117 HydrophobicContact CE3-CE2 4.48Å; W114-F117 HydrophobicContact CZ3-CD2 4.39Å; W114-F117 PolarHBondContact O-N 2.97Å; P115-F117 VanDerWaalsContact C-N 3.3Å; P115-F117 PolarHBondContact O-N 2.98Å; F117-T120 CarbonylContact O-C 3.42Å; F117-A121 WeakPolarHBondContact O-CA 3.39Å; F117-A121 PolarHBondContact O-N 3.11Å; F117-F124 HydrophobicContact CB-CD2 3.84Å; F117-F124 HydrophobicContact CB-CE2 4.31Å; F117-F124 AromaticContact CD1-CD2 3.61Å; F117-F124 HydrophobicContact CD1-CD2 3.61Å; F117-F124 AromaticContact CD1-CE2 3.99Å; F117-F124 HydrophobicContact CD1-CE2 3.99Å; F117-F124 HydrophobicContact CD2-CE2 4.29Å; F117-F124 HydrophobicContact CE1-CD2 4.31Å; F117-F124 HydrophobicContact CE1-CE2 4.39Å; F117-F124 AromaticContact CG-CD2 3.74Å; F117-F124 HydrophobicContact CG-CD2 3.74Å; F117-F124 AromaticContact CG-CE2 3.93Å; F117-F124 HydrophobicContact CG-CE2 3.93Å; F117-L127 HydrophobicContact CE1-CD2 4.41Å
118V78Confident83.6Confident36 Ų3641.1 Ų41.122%0.21824%0.24CC..Hα-helixtrans-63.8-41177.11650000111.6W114 P115 T120 A121 V205 D927W114-V118 WeakPolarHBondContact O-CG2 3.36Å; W114-V118 PolarHBondContact O-N 3.01Å; W114-V118 VanDerWaalsContact O-N 3.11Å; P115-V118 PolarHBondContact O-N 3.12Å; V118-T120 PolarHBondContact O-N 3.29Å; V118-T120 VanDerWaalsContact O-N 3.16Å; V118-A121 PolarHBondContact O-N 3.43Å; V118-V205 HydrophobicContact CG2-CG2 4.41Å; V118-D927 HydrophobicContact CG1-CB 4.41Å; V118-D927 WeakPolarHBondContact CG1-OD1 3.44Å; V118-D927 VanDerWaalsContact CG1-OD2 3.23Å; V118-D927 WeakPolarHBondContact CG1-OD2 3.5Å; V118-D927 WeakPolarHBondContact CG2-OD2 3.26Å
119V71.4Confident84.2Confident100 Ų10040.8 Ų40.861%0.60624%0.241SC*.THydrogen-bonded Turntrans-57.9-32.6-176.7179.90000112.4C38C38-V119 WeakPolarHBondContact SG-CG1 3.49Å
120T76.2Confident85.2Confident48 Ų4842 Ų4229%0.29423%0.234SC..THydrogen-bonded Turntrans-132.860.5176.656.10000110.9W83 F117 V118 D122 K123W83-T120 VanDerWaalsContact CE2-OG1 3.24Å; W83-T120 VanDerWaalsContact CZ2-OG1 3.26Å; W83-T120 WeakPolarHBondContact CZ2-OG1 3.45Å; W83-T120 PolarHBondContact NE1-OG1 2.83Å; F117-T120 CarbonylContact O-C 3.42Å; V118-T120 PolarHBondContact O-N 3.29Å; V118-T120 VanDerWaalsContact O-N 3.16Å; T120-D122 PolarHBondContact O-N 3.38Å; T120-D122 VanDerWaalsContact O-N 3.14Å; T120-K123 PolarHBondContact O-N 3.46Å
121A77.1Confident86.3Confident20 Ų2037.9 Ų37.917%0.16522%0.219CC..Hα-helixtrans-54.3-32.2-173.600000115F117 V118 K123 F124 V205F117-A121 WeakPolarHBondContact O-CA 3.39Å; F117-A121 PolarHBondContact O-N 3.11Å; V118-A121 PolarHBondContact O-N 3.43Å; A121-K123 VanDerWaalsContact C-N 3.34Å; A121-K123 PolarHBondContact O-N 3.17Å; A121-F124 WeakPolarHBondContact O-CB 3.41Å; A121-F124 PolarHBondContact O-N 3.3Å; A121-V205 HydrophobicContact CB-CG1 4.24Å; A121-V205 HydrophobicContact CB-CG2 3.64Å
122D80.8Confident87.2Confident135 Ų13537.2 Ų37.272%0.72222%0.215SC*.Hα-helixtrans-66.8-34.5-175.2-57-37.1000112.7T120 F124T120-D122 PolarHBondContact O-N 3.38Å; T120-D122 VanDerWaalsContact O-N 3.14Å; D122-F124 PolarHBondContact O-N 3.44Å
123K89.1Confident87.9Confident43 Ų4335.2 Ų35.219%0.18720%0.197CC..Hα-helixtrans-65.5-26.1177.1-66-175.5168.1-157.20112.6W83 F86 E87 T120 A121 S125 G126 L127W83-K123 HydrophobicContact CH2-CB 3.64Å; W83-K123 HydrophobicContact CZ2-CB 3.98Å; W83-K123 HydrophobicContact CZ3-CB 4.41Å; F86-K123 WeakPolarHBondContact O-CD 3.46Å; F86-K123 PolarHBondContact O-NZ 2.98Å; E87-K123 WeakPolarHBondContact OE1-CE 3.38Å; E87-K123 IonicContact OE1-NZ 2.99Å; E87-K123 PolarHBondContact OE1-NZ 3.05Å; E87-K123 IonicContact OE2-NZ 3.9Å; T120-K123 PolarHBondContact O-N 3.46Å; A121-K123 VanDerWaalsContact C-N 3.34Å; A121-K123 PolarHBondContact O-N 3.17Å; K123-S125 PolarHBondContact O-N 3.38Å; K123-G126 PolarHBondContact O-N 2.81Å; K123-L127 PolarHBondContact O-N 3.36Å; K123-L127 VanDerWaalsContact O-N 3.14Å
124F92.1Very high88.2Confident0 Ų035.3 Ų35.30%020%0.198CC..Hα-helixtrans-68.8-36.1-174-169.7-90.8000112.4W83 W114 F117 A121 D122 G126 L127 I128 F192 V205 L206W83-F124 HydrophobicContact CH2-CB 4.17Å; W83-F124 HydrophobicContact CH2-CD2 4.39Å; W114-F124 HydrophobicContact CZ3-CE2 4.24Å; W114-F124 HydrophobicContact CZ3-CZ 4.1Å; F117-F124 HydrophobicContact CB-CD2 3.84Å; F117-F124 HydrophobicContact CB-CE2 4.31Å; F117-F124 AromaticContact CD1-CD2 3.61Å; F117-F124 HydrophobicContact CD1-CD2 3.61Å; F117-F124 AromaticContact CD1-CE2 3.99Å; F117-F124 HydrophobicContact CD1-CE2 3.99Å; F117-F124 HydrophobicContact CD2-CE2 4.29Å; F117-F124 HydrophobicContact CE1-CD2 4.31Å; F117-F124 HydrophobicContact CE1-CE2 4.39Å; F117-F124 AromaticContact CG-CD2 3.74Å; F117-F124 HydrophobicContact CG-CD2 3.74Å; F117-F124 AromaticContact CG-CE2 3.93Å; F117-F124 HydrophobicContact CG-CE2 3.93Å; A121-F124 WeakPolarHBondContact O-CB 3.41Å; A121-F124 PolarHBondContact O-N 3.3Å; D122-F124 PolarHBondContact O-N 3.44Å; F124-G126 VanDerWaalsContact C-N 3.25Å; F124-G126 PolarHBondContact O-N 3.26Å; F124-L127 HydrophobicContact CD2-CD2 4.25Å; F124-L127 HydrophobicContact CE2-CD2 4.17Å; F124-L127 WeakPolarHBondContact O-CB 3.46Å; F124-L127 PolarHBondContact O-N 2.82Å; F124-L127 VanDerWaalsContact O-N 3.11Å; F124-I128 HydrophobicContact CD1-CG1 3.96Å; F124-I128 HydrophobicContact CE1-CD1 3.68Å; F124-I128 HydrophobicContact CE1-CG1 3.55Å; F124-I128 HydrophobicContact CZ-CD1 3.94Å; F124-I128 HydrophobicContact CZ-CG1 4.27Å; F124-I128 PolarHBondContact O-N 2.79Å; F124-F192 HydrophobicContact CE2-CZ 4.37Å; F124-F192 HydrophobicContact CZ-CZ 4.16Å; F124-V205 HydrophobicContact CB-CG1 3.69Å; F124-V205 HydrophobicContact CD1-CG1 3.71Å; F124-V205 HydrophobicContact CG-CG1 3.78Å; F124-L206 HydrophobicContact CD1-CD2 4.45Å; F124-L206 HydrophobicContact CE1-CD2 3.4Å; F124-L206 HydrophobicContact CE2-CD2 4.42Å; F124-L206 HydrophobicContact CZ-CD2 3.37Å
125S90Very high88.5Confident44 Ų4434.4 Ų34.431%0.30819%0.194SC..Hα-helixtrans-59.5-39.4174.1-63.30000111.7K123 I128 Q129 S209K123-S125 PolarHBondContact O-N 3.38Å; S125-I128 PolarHBondContact O-N 3.32Å; S125-Q129 PolarHBondContact O-N 2.83Å; S125-S209 PolarHBondContact OG-OG 2.83Å
126G91.9Very high89Confident11 Ų1130.6 Ų30.611%0.11317%0.17CC..Hα-helixtrans-65.4-38.7173.900000113.2K123 F124 Q129 R130K123-G126 PolarHBondContact O-N 2.81Å; F124-G126 VanDerWaalsContact C-N 3.25Å; F124-G126 PolarHBondContact O-N 3.26Å; G126-Q129 PolarHBondContact O-N 3.47Å; G126-R130 VanDerWaalsContact O-CG 3.31Å; G126-R130 WeakPolarHBondContact O-CG 3.45Å; G126-R130 PolarHBondContact O-N 2.76Å
127L95.8Very high89.2Confident0 Ų034 Ų340%019%0.187CC..Hα-helixtrans-59.7-48172.8179.366.3000111.4W83 F86 V96 I99 F117 K123 F124 Q129 R130 V131 F192W83-L127 HydrophobicContact CZ3-CD2 4.3Å; F86-L127 HydrophobicContact CE1-CB 3.74Å; F86-L127 HydrophobicContact CE1-CD1 4.25Å; F86-L127 HydrophobicContact CE2-CD1 3.98Å; F86-L127 HydrophobicContact CZ-CB 3.85Å; F86-L127 HydrophobicContact CZ-CD1 3.69Å; F86-L127 HydrophobicContact CZ-CG 4.39Å; V96-L127 HydrophobicContact CB-CD1 4.5Å; V96-L127 HydrophobicContact CG1-CD1 3.93Å; V96-L127 HydrophobicContact CG2-CD1 4.44Å; I99-L127 HydrophobicContact CD1-CD1 4.41Å; I99-L127 HydrophobicContact CG2-CD1 4.38Å; I99-L127 HydrophobicContact CG2-CD2 3.81Å; F117-L127 HydrophobicContact CE1-CD2 4.41Å; K123-L127 PolarHBondContact O-N 3.36Å; K123-L127 VanDerWaalsContact O-N 3.14Å; F124-L127 HydrophobicContact CD2-CD2 4.25Å; F124-L127 HydrophobicContact CE2-CD2 4.17Å; F124-L127 WeakPolarHBondContact O-CB 3.46Å; F124-L127 PolarHBondContact O-N 2.82Å; F124-L127 VanDerWaalsContact O-N 3.11Å; L127-Q129 PolarHBondContact O-N 2.89Å; L127-R130 PolarHBondContact O-N 2.81Å; L127-V131 HydrophobicContact CD1-CG2 4.48Å; L127-V131 WeakPolarHBondContact O-CG2 3.25Å; L127-V131 PolarHBondContact O-N 3.28Å; L127-F192 HydrophobicContact CD2-CZ 4.01Å
128I94.8Very high89.1Confident0 Ų035.8 Ų35.80%020%0.195CC..Hα-helixtrans-58.1-49.2176.8-66.7-54.5000110.3F124 S125 R130 V131 L132 F192 L210F124-I128 HydrophobicContact CD1-CG1 3.96Å; F124-I128 HydrophobicContact CE1-CD1 3.68Å; F124-I128 HydrophobicContact CE1-CG1 3.55Å; F124-I128 HydrophobicContact CZ-CD1 3.94Å; F124-I128 HydrophobicContact CZ-CG1 4.27Å; F124-I128 PolarHBondContact O-N 2.79Å; S125-I128 PolarHBondContact O-N 3.32Å; I128-R130 VanDerWaalsContact C-N 3.31Å; I128-R130 PolarHBondContact O-N 3.49Å; I128-V131 WeakPolarHBondContact O-CB 3.45Å; I128-V131 PolarHBondContact O-N 3.43Å; I128-V131 VanDerWaalsContact O-N 3.1Å; I128-L132 HydrophobicContact CG2-CD1 3.87Å; I128-L132 HydrophobicContact CG2-CG 4.16Å; I128-L132 VanDerWaalsContact O-CG 3.27Å; I128-L132 WeakPolarHBondContact O-CG 3.35Å; I128-L132 PolarHBondContact O-N 3.34Å; I128-F192 HydrophobicContact CD1-CE1 3.76Å; I128-F192 HydrophobicContact CD1-CZ 4.05Å; I128-L210 HydrophobicContact CD1-CD2 4.03Å; I128-L210 HydrophobicContact CG1-CD2 4.26Å; I128-L210 HydrophobicContact CG2-CD2 3.93Å
129Q93.5Very high89.5Confident50 Ų5034.1 Ų34.123%0.23419%0.185CC..Hα-helixtrans-55.2-46.8178.4179.7167.35.200111.8S125 G126 L127 V131 L132 H133 N260S125-Q129 PolarHBondContact O-N 2.83Å; G126-Q129 PolarHBondContact O-N 3.47Å; L127-Q129 PolarHBondContact O-N 2.89Å; Q129-V131 PolarHBondContact O-N 2.94Å; Q129-L132 PolarHBondContact O-N 2.97Å; Q129-H133 PolarHBondContact O-CD2 3.26Å; Q129-H133 PolarHBondContact O-N 3.48Å; Q129-N260 PolarHBondContact NE2-OD1 2.83Å
130R95.1Very high90Very high61 Ų6131.1 Ų31.123%0.2317%0.168CC..Hα-helixtrans-61.8-40176.6-68.1-66.5-59.7-85.9-2.9112.9P88 S91 V96 G126 L127 I128 H133 I134P88-R130 PolarHBondContact O-NH1 3.26Å; S91-R130 PolarHBondContact O-NH1 3.49Å; S91-R130 PolarHBondContact O-NH2 3.33Å; V96-R130 HydrophobicContact CG2-CB 4.07Å; G126-R130 VanDerWaalsContact O-CG 3.31Å; G126-R130 WeakPolarHBondContact O-CG 3.45Å; G126-R130 PolarHBondContact O-N 2.76Å; L127-R130 PolarHBondContact O-N 2.81Å; I128-R130 VanDerWaalsContact C-N 3.31Å; I128-R130 PolarHBondContact O-N 3.49Å; R130-H133 PolarHBondContact O-N 3.48Å; R130-I134 VanDerWaalsContact O-CG1 3.26Å; R130-I134 WeakPolarHBondContact O-CG1 3.48Å; R130-I134 PolarHBondContact O-N 2.78Å
131V96.8Very high90.2Very high0 Ų032.3 Ų32.30%017%0.17CC..Hα-helixtrans-62.8-45176.2167.20000111.4V96 L127 I128 Q129 I134 L135 L189 F192 L193V96-V131 HydrophobicContact CG1-CG2 3.76Å; L127-V131 HydrophobicContact CD1-CG2 4.48Å; L127-V131 WeakPolarHBondContact O-CG2 3.25Å; L127-V131 PolarHBondContact O-N 3.28Å; I128-V131 WeakPolarHBondContact O-CB 3.45Å; I128-V131 PolarHBondContact O-N 3.43Å; I128-V131 VanDerWaalsContact O-N 3.1Å; Q129-V131 PolarHBondContact O-N 2.94Å; V131-I134 PolarHBondContact O-N 3.22Å; V131-L135 HydrophobicContact CG1-CD1 4.16Å; V131-L135 WeakPolarHBondContact O-CG 3.44Å; V131-L135 PolarHBondContact O-N 3Å; V131-L135 VanDerWaalsContact O-N 3.09Å; V131-L189 HydrophobicContact CG1-CB 4.23Å; V131-L189 HydrophobicContact CG1-CD2 4.06Å; V131-L189 HydrophobicContact CG1-CG 4.5Å; V131-L189 HydrophobicContact CG2-CD2 4.02Å; V131-F192 HydrophobicContact CG1-CD1 4.24Å; V131-F192 HydrophobicContact CG1-CE1 4.47Å; V131-F192 HydrophobicContact CG2-CD1 4.23Å; V131-F192 HydrophobicContact CG2-CE1 3.99Å; V131-L193 HydrophobicContact CG1-CD1 4.44Å; V131-L193 HydrophobicContact CG1-CD2 4.19Å; V131-L193 HydrophobicContact CG1-CG 4.19Å
132L96.6Very high90.5Very high0 Ų031.4 Ų31.40%016%0.162CC..Hα-helixtrans-64.3-40.9179-61.3174.3000111.7I128 Q129 L135 L136 L193 L213 F263 Q264 F267I128-L132 HydrophobicContact CG2-CD1 3.87Å; I128-L132 HydrophobicContact CG2-CG 4.16Å; I128-L132 VanDerWaalsContact O-CG 3.27Å; I128-L132 WeakPolarHBondContact O-CG 3.35Å; I128-L132 PolarHBondContact O-N 3.34Å; Q129-L132 PolarHBondContact O-N 2.97Å; L132-L135 PolarHBondContact O-N 3.26Å; L132-L136 PolarHBondContact O-N 3.41Å; L132-L193 HydrophobicContact CD2-CD1 4.37Å; L132-L193 HydrophobicContact CD2-CD2 4.49Å; L132-L213 HydrophobicContact CD1-CD1 4.32Å; L132-L213 HydrophobicContact CD1-CD2 3.83Å; L132-L213 HydrophobicContact CD2-CD1 4.06Å; L132-L213 HydrophobicContact CD2-CD2 4.24Å; L132-F263 HydrophobicContact CB-CE1 3.74Å; L132-F263 HydrophobicContact CB-CZ 4.2Å; L132-Q264 HydrophobicContact CD1-CG 4.08Å; L132-F267 HydrophobicContact CB-CD2 3.89Å; L132-F267 HydrophobicContact CB-CE2 4.03Å; L132-F267 HydrophobicContact CD2-CD1 3.69Å; L132-F267 HydrophobicContact CD2-CD2 3.62Å; L132-F267 HydrophobicContact CD2-CE1 3.56Å; L132-F267 HydrophobicContact CD2-CE2 3.49Å; L132-F267 VanDerWaalsContact CD2-CE2 3.49Å; L132-F267 HydrophobicContact CD2-CG 3.73Å; L132-F267 HydrophobicContact CD2-CZ 3.46Å; L132-F267 VanDerWaalsContact CD2-CZ 3.46Å; L132-F267 HydrophobicContact CG-CD2 4.26Å; L132-F267 HydrophobicContact CG-CE2 4.35Å
133H94.7Very high90.5Very high51 Ų5125.2 Ų25.224%0.23613%0.129CC..Hα-helixtrans-60.3-50.9173.3-84.1-68.2000111.8Q129 R130 L135 L136 D137 F263Q129-H133 PolarHBondContact O-CD2 3.26Å; Q129-H133 PolarHBondContact O-N 3.48Å; R130-H133 PolarHBondContact O-N 3.48Å; H133-L135 VanDerWaalsContact C-N 3.27Å; H133-L135 PolarHBondContact O-N 2.98Å; H133-L136 PolarHBondContact O-N 3.39Å; H133-L136 VanDerWaalsContact O-N 3.11Å; H133-D137 WeakPolarHBondContact CB-OD2 3.45Å; H133-D137 IonicContact CG-OD2 3.8Å; H133-D137 IonicContact ND1-OD1 2.58Å; H133-D137 IonicContact ND1-OD2 3.73Å; H133-D137 PolarHBondContact ND1-OD2 2.83Å; H133-D137 VanDerWaalsContact O-CB 3.28Å; H133-D137 WeakPolarHBondContact O-CB 3.31Å; H133-D137 PolarHBondContact O-N 3.4Å; H133-F263 HydrophobicContact CB-CZ 4.41Å; H133-F263 AromaticContact CD2-CE1 3.82Å; H133-F263 AromaticContact CE1-CD2 3.96Å; H133-F263 AromaticContact CE1-CE1 3.77Å; H133-F263 AromaticContact CE1-CE2 3.64Å; H133-F263 AromaticContact CE1-CZ 3.55Å; H133-F263 AromaticContact CG-CE1 4Å; H133-F263 AromaticContact CG-CZ 3.73Å; H133-F263 AromaticContact ND1-CE1 3.99Å; H133-F263 AromaticContact ND1-CE2 3.69Å; H133-F263 AromaticContact ND1-CZ 3.44Å; H133-F263 WeakPolarHBondContact ND1-CZ 3.5Å; H133-F263 AromaticContact NE2-CD1 3.91Å; H133-F263 AromaticContact NE2-CE1 3.67Å; H133-F263 AromaticContact NE2-CZ 3.92Å
134I94.5Very high89.5Confident13 Ų1326.1 Ų26.17%0.06714%0.138CC..Hα-helixtrans-57.2-42.1179.4-65.6163000111.3R93 V96 R130 V131 L136 E138 L189R93-I134 HydrophobicContact CG-CD1 4.26Å; V96-I134 HydrophobicContact CB-CD1 4.12Å; V96-I134 HydrophobicContact CG1-CD1 3.82Å; R130-I134 VanDerWaalsContact O-CG1 3.26Å; R130-I134 WeakPolarHBondContact O-CG1 3.48Å; R130-I134 PolarHBondContact O-N 2.78Å; V131-I134 PolarHBondContact O-N 3.22Å; I134-L136 PolarHBondContact O-N 2.94Å; I134-E138 HydrophobicContact CG2-CG 4.27Å; I134-E138 VanDerWaalsContact O-CB 3.31Å; I134-E138 WeakPolarHBondContact O-CB 3.3Å; I134-E138 WeakPolarHBondContact O-CG 3.41Å; I134-E138 PolarHBondContact O-N 3.29Å; I134-L189 HydrophobicContact CB-CD1 3.88Å; I134-L189 HydrophobicContact CG2-CD1 3.5Å; I134-L189 VanDerWaalsContact CG2-CD1 3.5Å
135L95.5Very high87.7Confident2 Ų229.4 Ų29.41%0.0116%0.158CC..Hα-helixtrans-64.9-34.4179.6-77.8170.9000113.5V131 L132 H133 S139 H186 L189 I190 L193 F267 I271V131-L135 HydrophobicContact CG1-CD1 4.16Å; V131-L135 WeakPolarHBondContact O-CG 3.44Å; V131-L135 PolarHBondContact O-N 3Å; V131-L135 VanDerWaalsContact O-N 3.09Å; L132-L135 PolarHBondContact O-N 3.26Å; H133-L135 VanDerWaalsContact C-N 3.27Å; H133-L135 PolarHBondContact O-N 2.98Å; L135-S139 PolarHBondContact O-OG 3.38Å; L135-H186 HydrophobicContact CD2-CB 4.11Å; L135-H186 PolarHBondContact O-CE1 3.33Å; L135-L189 HydrophobicContact CD1-CB 4.15Å; L135-L189 HydrophobicContact CD2-CB 3.85Å; L135-L189 HydrophobicContact CD2-CD1 4.1Å; L135-L189 HydrophobicContact CG-CB 4.02Å; L135-L189 HydrophobicContact CG-CD1 3.93Å; L135-I190 HydrophobicContact CD2-CG1 4.31Å; L135-L193 HydrophobicContact CD1-CD1 3.48Å; L135-L193 VanDerWaalsContact CD1-CD1 3.48Å; L135-F267 HydrophobicContact CB-CE2 3.99Å; L135-F267 HydrophobicContact CB-CZ 4.37Å; L135-F267 HydrophobicContact CD1-CE2 4.19Å; L135-F267 HydrophobicContact CD1-CZ 3.8Å; L135-I271 HydrophobicContact CB-CD1 4.41Å
136L92.6Very high85.7Confident1 Ų128.3 Ų28.31%0.00515%0.149CC..Hα-helixtrans-89.8-48.7-179.6-71.2-177.8000112.8L132 H133 I134 E138 S139 F263 F267 R270 I271 L477L132-L136 PolarHBondContact O-N 3.41Å; H133-L136 PolarHBondContact O-N 3.39Å; H133-L136 VanDerWaalsContact O-N 3.11Å; I134-L136 PolarHBondContact O-N 2.94Å; L136-E138 PolarHBondContact O-N 2.77Å; L136-S139 WeakPolarHBondContact O-CB 3.4Å; L136-S139 PolarHBondContact O-N 3.43Å; L136-S139 VanDerWaalsContact O-N 3.12Å; L136-S139 PolarHBondContact O-OG 2.82Å; L136-F263 HydrophobicContact CD1-CE2 3.74Å; L136-F263 HydrophobicContact CD1-CZ 3.95Å; L136-F267 HydrophobicContact CD1-CD2 3.78Å; L136-F267 HydrophobicContact CD2-CD2 4.34Å; L136-F267 HydrophobicContact CG-CD2 3.83Å; L136-F267 HydrophobicContact CG-CE2 4.09Å; L136-R270 HydrophobicContact CD1-CB 4.46Å; L136-R270 HydrophobicContact CD2-CB 3.83Å; L136-I271 HydrophobicContact CD2-CB 4.05Å; L136-I271 HydrophobicContact CD2-CD1 4.04Å; L136-L477 HydrophobicContact CB-CD1 4.32Å; L136-L477 HydrophobicContact CD2-CD1 4.44Å
137D88.7Confident83.5Confident95 Ų9531.7 Ų31.751%0.50817%0.169SC..Hα-helixtrans-65.3-30.1-172.3-57.4-13.7000111.4H133 P140H133-D137 WeakPolarHBondContact CB-OD2 3.45Å; H133-D137 IonicContact CG-OD2 3.8Å; H133-D137 IonicContact ND1-OD1 2.58Å; H133-D137 IonicContact ND1-OD2 3.73Å; H133-D137 PolarHBondContact ND1-OD2 2.83Å; H133-D137 VanDerWaalsContact O-CB 3.28Å; H133-D137 WeakPolarHBondContact O-CB 3.31Å; H133-D137 PolarHBondContact O-N 3.4Å; D137-P140 VanDerWaalsContact O-CD 3.29Å; D137-P140 WeakPolarHBondContact O-CD 3.48Å
138E85.8Confident80.7Confident42 Ų4236.4 Ų36.420%0.19619%0.194CC..THydrogen-bonded Turntrans-92.6-6.8179.1-56.3-70-176.700113.7R93 I134 L136 P140 Q141R93-E138 IonicContact NE-OE1 2.78Å; I134-E138 HydrophobicContact CG2-CG 4.27Å; I134-E138 VanDerWaalsContact O-CB 3.31Å; I134-E138 WeakPolarHBondContact O-CB 3.3Å; I134-E138 WeakPolarHBondContact O-CG 3.41Å; I134-E138 PolarHBondContact O-N 3.29Å; L136-E138 PolarHBondContact O-N 2.77Å; E138-P140 VanDerWaalsContact C-N 3.27Å; E138-P140 VanDerWaalsContact O-N 3.17Å; E138-Q141 WeakPolarHBondContact O-CB 3.38Å; E138-Q141 PolarHBondContact O-N 2.87Å; E138-Q141 PolarHBondContact OE2-NE2 3.37Å; E138-Q141 PolarHBondContact OE2-OE1 3.49Å
139S87.2Confident78.1Confident0 Ų038.4 Ų38.40%020%0.204CC..Hα-helixtrans-50.4-37.9176.7-73.40000114.2L135 L136 Q141 I142 L143L135-S139 PolarHBondContact O-OG 3.38Å; L136-S139 WeakPolarHBondContact O-CB 3.4Å; L136-S139 PolarHBondContact O-N 3.43Å; L136-S139 VanDerWaalsContact O-N 3.12Å; L136-S139 PolarHBondContact O-OG 2.82Å; S139-Q141 VanDerWaalsContact C-N 3.25Å; S139-Q141 PolarHBondContact O-N 3.14Å; S139-I142 PolarHBondContact O-N 3.11Å; S139-L143 VanDerWaalsContact O-CG 3.31Å; S139-L143 WeakPolarHBondContact O-CG 3.46Å; S139-L143 PolarHBondContact O-N 3.3Å; S139-L143 VanDerWaalsContact O-N 3.13Å
140P81.7Confident75.6Confident38 Ų3840.2 Ų40.225%0.24722%0.219CC..Hα-helixtrans-57.5-34.1175.9-24.935.3000113.9D137 E138 I142 L143 T144 F475D137-P140 VanDerWaalsContact O-CD 3.29Å; D137-P140 WeakPolarHBondContact O-CD 3.48Å; E138-P140 VanDerWaalsContact C-N 3.27Å; E138-P140 VanDerWaalsContact O-N 3.17Å; P140-I142 VanDerWaalsContact C-N 3.34Å; P140-I142 PolarHBondContact O-N 3.44Å; P140-L143 PolarHBondContact O-N 3.05Å; P140-T144 PolarHBondContact O-N 2.85Å; P140-F475 HydrophobicContact CB-CB 4.06Å; P140-F475 HydrophobicContact CB-CD1 4.16Å; P140-F475 HydrophobicContact CB-CG 4.04Å; P140-F475 HydrophobicContact CG-CB 3.77Å; P140-F475 HydrophobicContact CG-CD1 3.75Å; P140-F475 HydrophobicContact CG-CG 3.92Å
141Q80.6Confident72.8Confident73 Ų7342.2 Ų42.234%0.34123%0.231SC..Hα-helixtrans-67.9-35.5179.6-63.6-178.214.900111.9E138 S139 T144E138-Q141 WeakPolarHBondContact O-CB 3.38Å; E138-Q141 PolarHBondContact O-N 2.87Å; E138-Q141 PolarHBondContact OE2-NE2 3.37Å; E138-Q141 PolarHBondContact OE2-OE1 3.49Å; S139-Q141 VanDerWaalsContact C-N 3.25Å; S139-Q141 PolarHBondContact O-N 3.14Å; Q141-T144 PolarHBondContact O-OG1 2.85Å
142I82.9Confident69.9Low1 Ų146.4 Ų46.41%0.00525%0.252CS..Hα-helixtrans-71.9-37.8176.4-52.2-175.9000110.5S139 P140 T144 Q179 C182 I183 H186 L278S139-I142 PolarHBondContact O-N 3.11Å; P140-I142 VanDerWaalsContact C-N 3.34Å; P140-I142 PolarHBondContact O-N 3.44Å; I142-T144 PolarHBondContact O-N 3.44Å; I142-Q179 PolarHBondContact O-NE2 3.18Å; I142-C182 HydrophobicContact CG1-CB 4.19Å; I142-C182 WeakPolarHBondContact CG1-SG 3.37Å; I142-I183 HydrophobicContact CD1-CG1 4.44Å; I142-I183 HydrophobicContact CG1-CG1 4.4Å; I142-I183 HydrophobicContact CG2-CD1 4.27Å; I142-I183 HydrophobicContact CG2-CG1 3.8Å; I142-H186 HydrophobicContact CD1-CB 4.25Å; I142-H186 WeakPolarHBondContact CD1-CE1 3.45Å; I142-H186 WeakPolarHBondContact CD1-ND1 3.49Å; I142-L278 HydrophobicContact CG2-CD1 3.76Å; I142-L278 HydrophobicContact CG2-CD2 3.7Å; I142-L278 HydrophobicContact CG2-CG 4.39Å
143L80.8Confident67.1Low4 Ų452.4 Ų52.42%0.02128%0.284CS..Hα-helixtrans-70.3-9.9-177-68.4170.5000114.9S139 P140 V145 N146 L149 V274 T277 L278 F475 L480S139-L143 VanDerWaalsContact O-CG 3.31Å; S139-L143 WeakPolarHBondContact O-CG 3.46Å; S139-L143 PolarHBondContact O-N 3.3Å; S139-L143 VanDerWaalsContact O-N 3.13Å; P140-L143 PolarHBondContact O-N 3.05Å; L143-V145 PolarHBondContact O-N 2.89Å; L143-N146 PolarHBondContact O-N 2.83Å; L143-L149 HydrophobicContact CB-CD1 4.32Å; L143-V274 HydrophobicContact CD2-CG1 4.46Å; L143-T277 HydrophobicContact CD2-CG2 3.64Å; L143-L278 HydrophobicContact CD2-CD2 3.78Å; L143-L278 HydrophobicContact CD2-CG 3.82Å; L143-F475 HydrophobicContact CD1-CE1 3.92Å; L143-F475 HydrophobicContact CD1-CZ 4.05Å; L143-L480 HydrophobicContact CD1-CD1 3.94Å; L143-L480 HydrophobicContact CD1-CD2 4.25Å
144T68.8Low64.2Low63 Ų6354.4 Ų54.439%0.38730%0.3SS..THydrogen-bonded Turntrans-58-9.7-179.655.10000115.3P140 Q141 I142 N146 Q179P140-T144 PolarHBondContact O-N 2.85Å; Q141-T144 PolarHBondContact O-OG1 2.85Å; I142-T144 PolarHBondContact O-N 3.44Å; T144-N146 PolarHBondContact O-N 3.02Å; T144-Q179 PolarHBondContact OG1-NE2 3.3Å
145V52.7Low61.1Low69 Ų6963.4 Ų63.442%0.41833%0.333SS..THydrogen-bonded Turntrans-64-20.7170.7-170.70000112.7L143 P147L143-V145 PolarHBondContact O-N 2.89Å; V145-P147 WeakPolarHBondContact O-CD 3.47Å
146N48.6Very low58.3Low20 Ų2067.7 Ų67.711%0.10736%0.364CS..  trans-83.8115.4-162.5-159.4-16.3000113.7L143 T144 L148 L149L143-N146 PolarHBondContact O-N 2.83Å; T144-N146 PolarHBondContact O-N 3.02Å; N146-L148 PolarHBondContact O-N 2.76Å; N146-L148 VanDerWaalsContact O-N 3.11Å; N146-L148 VanDerWaalsContact OD1-CB 3.23Å; N146-L148 WeakPolarHBondContact OD1-CB 3.38Å; N146-L148 WeakPolarHBondContact OD1-CG 3.37Å; N146-L148 PolarHBondContact OD1-N 3.08Å; N146-L149 HydrophobicContact CB-CD1 4.27Å; N146-L149 HydrophobicContact CB-CG 4.26Å; N146-L149 PolarHBondContact O-N 3.46Å
147P45.8Very low55.4Low83 Ų8376.1 Ų76.154%0.53940%0.4SS..Hα-helixtrans-58.7-21.8171.520.7-30.6000113.6V145 L149 T150 E151V145-P147 WeakPolarHBondContact O-CD 3.47Å; P147-L149 PolarHBondContact O-N 2.68Å; P147-T150 VanDerWaalsContact CA-OG1 3.24Å; P147-T150 WeakPolarHBondContact CA-OG1 3.42Å; P147-T150 PolarHBondContact O-N 3.38Å; P147-T150 PolarHBondContact O-OG1 3.44Å; P147-E151 PolarHBondContact O-N 2.82Å
148L37.6Very low52.6Low99 Ų9978.3 Ų78.352%0.51841%0.412SS..Hα-helixtrans-65.1-18.6172.4-67.3163.9000113.6N146N146-L148 PolarHBondContact O-N 2.76Å; N146-L148 VanDerWaalsContact O-N 3.11Å; N146-L148 VanDerWaalsContact OD1-CB 3.23Å; N146-L148 WeakPolarHBondContact OD1-CB 3.38Å; N146-L148 WeakPolarHBondContact OD1-CG 3.37Å; N146-L148 PolarHBondContact OD1-N 3.08Å
149L40Very low49.9Very low41 Ų4183.7 Ų83.722%0.21544%0.442CS..Hα-helixtrans-88.5-32.2174.4-67.5174.4000111.8L143 N146 P147 E151 I152 F475L143-L149 HydrophobicContact CB-CD1 4.32Å; N146-L149 HydrophobicContact CB-CD1 4.27Å; N146-L149 HydrophobicContact CB-CG 4.26Å; N146-L149 PolarHBondContact O-N 3.46Å; P147-L149 PolarHBondContact O-N 2.68Å; L149-E151 VanDerWaalsContact C-N 3.32Å; L149-E151 PolarHBondContact O-N 2.77Å; L149-I152 HydrophobicContact CD2-CD1 4.25Å; L149-I152 PolarHBondContact O-N 3.35Å; L149-F475 HydrophobicContact CD1-CE2 4.25Å; L149-F475 HydrophobicContact CD2-CE2 3.84Å; L149-F475 HydrophobicContact CD2-CZ 4.33Å
150T41Very low47.3Very low89 Ų8990.5 Ų90.555%0.54648%0.478SS..Hα-helixtrans-64.8-33.3173.227.90000112.8P147 I152 N153 T154P147-T150 VanDerWaalsContact CA-OG1 3.24Å; P147-T150 WeakPolarHBondContact CA-OG1 3.42Å; P147-T150 PolarHBondContact O-N 3.38Å; P147-T150 PolarHBondContact O-OG1 3.44Å; T150-I152 PolarHBondContact O-N 3.25Å; T150-N153 PolarHBondContact O-N 2.81Å; T150-T154 PolarHBondContact O-N 2.81Å; T150-T154 PolarHBondContact O-OG1 2.96Å
151E37Very low44.8Very low103 Ų10395.5 Ų95.548%0.48150%0.503SS..Hα-helixtrans-66.2-22.5175-73.2-170.6173.900113.7P147 L149 R155P147-E151 PolarHBondContact O-N 2.82Å; L149-E151 VanDerWaalsContact C-N 3.32Å; L149-E151 PolarHBondContact O-N 2.77Å; E151-R155 WeakPolarHBondContact O-CB 3.3Å; E151-R155 PolarHBondContact O-N 2.87Å
152I35.6Very low42.4Very low87 Ų8799.5 Ų99.545%0.44653%0.527SS..Hα-helixtrans-76.2-34175.5-62.6174.6000110.6L149 T150L149-I152 HydrophobicContact CD2-CD1 4.25Å; L149-I152 PolarHBondContact O-N 3.35Å; T150-I152 PolarHBondContact O-N 3.25Å
153N36.2Very low39.7Very low126 Ų126102.7 Ų102.767%0.67456%0.56SS**Hα-helixtrans-80.7-19.5178.3-74.5-9.6000113.4T150T150-N153 PolarHBondContact O-N 2.81Å
154T35.2Very low37.2Very low94 Ų94111.9 Ų111.958%0.57760%0.6SS**Hα-helixtrans-97.6-16.1178.757.20000114.3T150T150-T154 PolarHBondContact O-N 2.81Å; T150-T154 PolarHBondContact O-OG1 2.96Å
155R28.4Very low35.3Very low201 Ų201115.7 Ų115.776%0.75862%0.618SS**THydrogen-bonded Turntrans-907.7177.8-77.1-172.6177.4173.85.7115.3E151E151-R155 WeakPolarHBondContact O-CB 3.3Å; E151-R155 PolarHBondContact O-N 2.87Å
156S36.9Very low34Very low93 Ų93122.7 Ų122.765%0.6564%0.643SS**THydrogen-bonded Turntrans-109.313.7174.452.90000114
157K31.4Very low32.9Very low178 Ų178128.3 Ų128.377%0.77467%0.673SS**  trans-134.954175.3-72.9-171.3177.6178.10112.6
158D30.1Very low31.9Very low141 Ų141133.8 Ų133.875%0.75469%0.691SS**  trans-121.888155.2-76.3-37000105.9
159D30.5Very low31.4Very low155 Ų155134.9 Ų134.983%0.82970%0.702SS**SBendtrans170.9130.8142.3-84.6-23000109.8
160D32.5Very low30.9Very low142 Ų142137.7 Ų137.776%0.75973%0.725SS**  trans76.899.3162.2-62.5-27.7000121.6
161N29.1Very low30.4Very low144 Ų144140.5 Ų140.577%0.7774%0.737SS**  73.1132.1121.6-82.6-28.1000123
162D29.9Very low30.1Very low156 Ų156144.6 Ų144.683%0.83476%0.756SS**  trans6697.6150-80.8-23.1000120.1
163G26.5Very low30.4Very low68 Ų68144.8 Ų144.870%0.70177%0.765SS**  75.7102.4104.100000117.7
164K27Very low31.1Very low197 Ų197142.2 Ų142.286%0.85776%0.757SS**  trans130.6141.6140.4-71.3174.8-179.5175.50113.7
165D28.9Very low32.7Very low144 Ų144142.8 Ų142.877%0.7776%0.757SS**  trans7777.6167.6-56.9-18.8000117.7N167D165-N167 PolarHBondContact O-N 2.83Å
166K26.5Very low34.9Very low215 Ų215137 Ų13794%0.93575%0.745SS**  trans-62.977.3152.2-69.5-178.8175.6-179.50110
167N26Very low37Very low139 Ų139136.3 Ų136.374%0.74374%0.736SS**  trans-94.2127.8152.7-89.6-20.1000108.2D165 T169D165-N167 PolarHBondContact O-N 2.83Å; N167-T169 PolarHBondContact O-N 2.83Å
168Q24.5Very low39.4Very low198 Ų198131.8 Ų131.893%0.92572%0.718SS**  trans-58.582.6174.9-67.2165.2-16.100110S170Q168-S170 PolarHBondContact O-N 3.37Å
169T26.3Very low42Very low122 Ų122126.8 Ų126.875%0.74869%0.69SS**  trans-84.994.3154.5490000105.7N167 D171N167-T169 PolarHBondContact O-N 2.83Å; T169-D171 PolarHBondContact O-N 2.98Å; T169-D171 VanDerWaalsContact O-N 3.1Å
170S29.3Very low44.7Very low100 Ų100123.1 Ų123.170%0.69967%0.667SS**  trans-41.5114.9157.445.10000108.6Q168 E172Q168-S170 PolarHBondContact O-N 3.37Å; S170-E172 PolarHBondContact O-N 2.8Å
171D30Very low47.5Very low147 Ų147120 Ų12079%0.78665%0.647SS**  trans-49.6104.7169.1-73.7-47.9000108.4T169 S173T169-D171 PolarHBondContact O-N 2.98Å; T169-D171 VanDerWaalsContact O-N 3.1Å; D171-S173 PolarHBondContact O-N 2.8Å
172E32.1Very low50.4Low190 Ų190113.1 Ų113.189%0.88861%0.61SS**  trans-72.747.5166.8-73.5-169.315400109.8S170 S174S170-E172 PolarHBondContact O-N 2.8Å; E172-S174 PolarHBondContact O-N 2.87Å; E172-S174 VanDerWaalsContact O-N 3.08Å
173S41.4Very low53.4Low91 Ų91106 Ų10664%0.63657%0.572SS**  trans-65.9107.617358.80000109.1D171D171-S173 PolarHBondContact O-N 2.8Å
174S51.7Low56.6Low71 Ų71104.2 Ų104.250%0.49755%0.546SS..  trans3897161.253.60000117.1E172 P176E172-S174 PolarHBondContact O-N 2.87Å; E172-S174 VanDerWaalsContact O-N 3.08Å; S174-P176 VanDerWaalsContact O-CD 3.27Å; S174-P176 WeakPolarHBondContact O-CD 3.33Å
175N67.2Low59.8Low107 Ų10794.9 Ų94.957%0.57251%0.505SS*.  trans-66.9113.6175-170.1-14.8000111.5V177 Q178 Q179N175-V177 PolarHBondContact O-N 2.69Å; N175-V177 VanDerWaalsContact O-N 3.13Å; N175-V177 WeakPolarHBondContact OD1-CB 3.29Å; N175-V177 PolarHBondContact OD1-N 3.27Å; N175-Q178 HydrophobicContact CB-CB 4.29Å; N175-Q178 WeakPolarHBondContact O-CB 3.48Å; N175-Q178 PolarHBondContact O-N 3.21Å; N175-Q179 PolarHBondContact O-N 2.73Å
176P75.3Confident63Low78 Ų7888 Ų8851%0.50647%0.469SS..Hα-helixtrans-61.8-26-177.424.7-34.8000112.9S174 Q178 Q179 K180S174-P176 VanDerWaalsContact O-CD 3.27Å; S174-P176 WeakPolarHBondContact O-CD 3.33Å; P176-Q178 VanDerWaalsContact C-N 3.32Å; P176-Q178 PolarHBondContact O-N 2.95Å; P176-Q179 PolarHBondContact O-N 2.77Å; P176-K180 WeakPolarHBondContact O-CG 3.28Å; P176-K180 PolarHBondContact O-N 2.95Å; P176-K180 VanDerWaalsContact O-N 3.14Å
177V81.5Confident66.3Low79 Ų7978.3 Ų78.348%0.47943%0.427SS..Hα-helixtrans-66.1-37.4175.9179.30000111.3N175 K181N175-V177 PolarHBondContact O-N 2.69Å; N175-V177 VanDerWaalsContact O-N 3.13Å; N175-V177 WeakPolarHBondContact OD1-CB 3.29Å; N175-V177 PolarHBondContact OD1-N 3.27Å; V177-K181 WeakPolarHBondContact O-CG 3.37Å; V177-K181 PolarHBondContact O-N 2.93Å
178Q81.7Confident69.6Low84 Ų8472 Ų7239%0.39339%0.394SS..Hα-helixtrans-70.6-38.3180-171.960.716.600111.2N175 P176 K181 C182N175-Q178 HydrophobicContact CB-CB 4.29Å; N175-Q178 WeakPolarHBondContact O-CB 3.48Å; N175-Q178 PolarHBondContact O-N 3.21Å; P176-Q178 VanDerWaalsContact C-N 3.32Å; P176-Q178 PolarHBondContact O-N 2.95Å; Q178-K181 WeakPolarHBondContact O-CB 3.35Å; Q178-K181 PolarHBondContact O-N 2.69Å; Q178-C182 PolarHBondContact O-N 2.89Å
179Q83.6Confident73.1Confident36 Ų3662.6 Ų62.617%0.16835%0.349CS..Hα-helixtrans-60.8-46.7173.6179.6176.555.400112.4I142 T144 N175 P176 K181 C182 I183I142-Q179 PolarHBondContact O-NE2 3.18Å; T144-Q179 PolarHBondContact OG1-NE2 3.3Å; N175-Q179 PolarHBondContact O-N 2.73Å; P176-Q179 PolarHBondContact O-N 2.77Å; Q179-K181 VanDerWaalsContact C-N 3.27Å; Q179-K181 PolarHBondContact O-N 3.48Å; Q179-C182 WeakPolarHBondContact O-CB 3.29Å; Q179-C182 PolarHBondContact O-N 3.37Å; Q179-I183 HydrophobicContact CG-CD1 4.03Å; Q179-I183 WeakPolarHBondContact O-CG1 3.34Å; Q179-I183 PolarHBondContact O-N 2.94Å
180K87.7Confident76.5Confident78 Ų7857 Ų5734%0.33932%0.315SS..Hα-helixtrans-58.7-39.6177.1-70.1-176.4-172.7-1390112.4P176 I183 L184 E292 L294P176-K180 WeakPolarHBondContact O-CG 3.28Å; P176-K180 PolarHBondContact O-N 2.95Å; P176-K180 VanDerWaalsContact O-N 3.14Å; K180-I183 PolarHBondContact O-N 2.84Å; K180-L184 WeakPolarHBondContact O-CG 3.43Å; K180-L184 PolarHBondContact O-N 3.12Å; K180-E292 VanDerWaalsContact CE-CD 3.42Å; K180-E292 VanDerWaalsContact CE-OE1 3.3Å; K180-E292 WeakPolarHBondContact CE-OE1 3.45Å; K180-E292 WeakPolarHBondContact CE-OE2 3.25Å; K180-E292 IonicContact NZ-OE1 3.22Å; K180-E292 PolarHBondContact NZ-OE1 2.74Å; K180-E292 IonicContact NZ-OE2 3.5Å; K180-E292 PolarHBondContact NZ-OE2 3.49Å; K180-L294 HydrophobicContact CB-CD1 4.12Å; K180-L294 HydrophobicContact CG-CD1 4.32Å
181K90.6Very high79.6Confident76 Ų7653.7 Ų53.733%0.3329%0.289SS..Hα-helixtrans-62.9-48.1175-71.9170.2177.2177.90111.4L60 V177 Q178 Q179 I183 L184 E185L60-K181 HydrophobicContact CD1-CB 4.13Å; L60-K181 HydrophobicContact CD1-CG 4.15Å; L60-K181 HydrophobicContact CD2-CD 4.03Å; L60-K181 HydrophobicContact CD2-CG 4.19Å; L60-K181 HydrophobicContact CG-CG 4.23Å; V177-K181 WeakPolarHBondContact O-CG 3.37Å; V177-K181 PolarHBondContact O-N 2.93Å; Q178-K181 WeakPolarHBondContact O-CB 3.35Å; Q178-K181 PolarHBondContact O-N 2.69Å; Q179-K181 VanDerWaalsContact C-N 3.27Å; Q179-K181 PolarHBondContact O-N 3.48Å; K181-I183 VanDerWaalsContact C-N 3.33Å; K181-I183 PolarHBondContact O-N 3.37Å; K181-L184 WeakPolarHBondContact O-CB 3.46Å; K181-L184 PolarHBondContact O-N 2.91Å; K181-E185 VanDerWaalsContact O-CG 3.25Å; K181-E185 WeakPolarHBondContact O-CG 3.34Å; K181-E185 PolarHBondContact O-N 3.44Å; K181-E185 VanDerWaalsContact O-OE2 3.11Å
182C91.6Very high82.8Confident0 Ų046.7 Ų46.70%025%0.252CS..Hα-helixtrans-58.2-43.7177.7-170.50000111.9I142 Q178 Q179 E185 H186I142-C182 HydrophobicContact CG1-CB 4.19Å; I142-C182 WeakPolarHBondContact CG1-SG 3.37Å; Q178-C182 PolarHBondContact O-N 2.89Å; Q179-C182 WeakPolarHBondContact O-CB 3.29Å; Q179-C182 PolarHBondContact O-N 3.37Å; C182-E185 WeakPolarHBondContact CA-OE2 3.39Å; C182-E185 PolarHBondContact O-N 3.35Å; C182-H186 PolarHBondContact O-CD2 3.33Å; C182-H186 PolarHBondContact O-N 2.96Å
183I92.3Very high85.9Confident6 Ų637.7 Ų37.73%0.03121%0.21CC..Hα-helixtrans-61-47.3175.9-68.3170.1000111.6I142 Q179 K180 K181 E185 H186 I187 L294I142-I183 HydrophobicContact CD1-CG1 4.44Å; I142-I183 HydrophobicContact CG1-CG1 4.4Å; I142-I183 HydrophobicContact CG2-CD1 4.27Å; I142-I183 HydrophobicContact CG2-CG1 3.8Å; Q179-I183 HydrophobicContact CG-CD1 4.03Å; Q179-I183 WeakPolarHBondContact O-CG1 3.34Å; Q179-I183 PolarHBondContact O-N 2.94Å; K180-I183 PolarHBondContact O-N 2.84Å; K181-I183 VanDerWaalsContact C-N 3.33Å; K181-I183 PolarHBondContact O-N 3.37Å; I183-E185 VanDerWaalsContact C-N 3.27Å; I183-E185 PolarHBondContact O-N 2.9Å; I183-H186 PolarHBondContact O-N 3Å; I183-I187 HydrophobicContact CG2-CD1 3.86Å; I183-I187 WeakPolarHBondContact O-CD1 3.33Å; I183-I187 WeakPolarHBondContact O-CG1 3.49Å; I183-I187 PolarHBondContact O-N 3Å; I183-L294 HydrophobicContact CG2-CB 3.99Å; I183-L294 WeakPolarHBondContact CG2-O 3.36Å
184L93.4Very high88.4Confident30 Ų3034 Ų3416%0.15718%0.183CC..Hα-helixtrans-57.6-41177.1-79.3166.1000112.1F64 K180 K181 I187 V188 L294F64-L184 HydrophobicContact CD2-CB 4.39Å; F64-L184 HydrophobicContact CE2-CB 4.3Å; K180-L184 WeakPolarHBondContact O-CG 3.43Å; K180-L184 PolarHBondContact O-N 3.12Å; K181-L184 WeakPolarHBondContact O-CB 3.46Å; K181-L184 PolarHBondContact O-N 2.91Å; L184-I187 WeakPolarHBondContact O-CB 3.48Å; L184-I187 PolarHBondContact O-N 3.01Å; L184-V188 WeakPolarHBondContact O-CG2 3.27Å; L184-V188 PolarHBondContact O-N 3.31Å; L184-V188 VanDerWaalsContact O-N 3.11Å; L184-L294 HydrophobicContact CD1-CD1 4.31Å; L184-L294 HydrophobicContact CD2-CD1 4.36Å; L184-L294 HydrophobicContact CD2-CD2 3.53Å; L184-L294 HydrophobicContact CG-CD1 4.06Å; L184-L294 HydrophobicContact CG-CD2 4.09Å
185E95.1Very high90.3Very high2 Ų232.6 Ų32.61%0.00917%0.169CC..Hα-helixtrans-70.4-42.1-179.8-68.1163.7137.400111.5Y55 L60 F64 R93 L97 K181 C182 I183 I187 V188 L189Y55-E185 PolarHBondContact OH-OE1 2.97Å; L60-E185 HydrophobicContact CD1-CG 4.03Å; F64-E185 HydrophobicContact CE2-CG 4.11Å; F64-E185 HydrophobicContact CZ-CG 4.18Å; R93-E185 IonicContact CZ-OE1 2.79Å; R93-E185 IonicContact CZ-OE2 3.35Å; R93-E185 IonicContact NH1-OE1 3.12Å; R93-E185 PolarHBondContact NH1-OE1 2.88Å; R93-E185 IonicContact NH1-OE2 3.16Å; R93-E185 PolarHBondContact NH1-OE2 2.99Å; R93-E185 IonicContact NH2-OE1 3.35Å; R93-E185 PolarHBondContact NH2-OE1 3.48Å; R93-E185 IonicContact NH2-OE2 3.53Å; R93-E185 PolarHBondContact NH2-OE2 3.31Å; L97-E185 HydrophobicContact CD1-CB 4.12Å; L97-E185 HydrophobicContact CD1-CG 3.79Å; L97-E185 WeakPolarHBondContact CD1-OE1 3.4Å; L97-E185 HydrophobicContact CD2-CB 3.76Å; L97-E185 HydrophobicContact CD2-CG 4.12Å; K181-E185 VanDerWaalsContact O-CG 3.25Å; K181-E185 WeakPolarHBondContact O-CG 3.34Å; K181-E185 PolarHBondContact O-N 3.44Å; K181-E185 VanDerWaalsContact O-OE2 3.11Å; C182-E185 WeakPolarHBondContact CA-OE2 3.39Å; C182-E185 PolarHBondContact O-N 3.35Å; I183-E185 VanDerWaalsContact C-N 3.27Å; I183-E185 PolarHBondContact O-N 2.9Å; E185-I187 VanDerWaalsContact C-N 3.29Å; E185-I187 PolarHBondContact O-N 2.71Å; E185-V188 WeakPolarHBondContact O-CB 3.39Å; E185-V188 PolarHBondContact O-N 3.39Å; E185-V188 VanDerWaalsContact O-N 3.13Å; E185-L189 WeakPolarHBondContact O-CG 3.3Å; E185-L189 PolarHBondContact O-N 3.11Å
186H95.8Very high91.6Very high0 Ų027.5 Ų27.50%014%0.142CC..Hα-helixtrans-59.6-40.6172.4-84.9-137.4000112.1L135 I142 C182 I183 V188 L189 I190 Y298L135-H186 HydrophobicContact CD2-CB 4.11Å; L135-H186 PolarHBondContact O-CE1 3.33Å; I142-H186 HydrophobicContact CD1-CB 4.25Å; I142-H186 WeakPolarHBondContact CD1-CE1 3.45Å; I142-H186 WeakPolarHBondContact CD1-ND1 3.49Å; C182-H186 PolarHBondContact O-CD2 3.33Å; C182-H186 PolarHBondContact O-N 2.96Å; I183-H186 PolarHBondContact O-N 3Å; H186-V188 VanDerWaalsContact C-N 3.32Å; H186-V188 PolarHBondContact O-N 2.84Å; H186-L189 PolarHBondContact O-N 3.27Å; H186-I190 WeakPolarHBondContact O-CB 3.35Å; H186-I190 VanDerWaalsContact O-CG1 3.27Å; H186-I190 WeakPolarHBondContact O-CG1 3.47Å; H186-I190 PolarHBondContact O-N 2.97Å; H186-Y298 HydrophobicContact CB-CD2 3.93Å; H186-Y298 HydrophobicContact CB-CE2 3.64Å; H186-Y298 AromaticContact ND1-CE2 3.91Å
187I95.5Very high92.5Very high10 Ų1023.9 Ų23.95%0.05112%0.118CC..Hα-helixtrans-56.7-47.3173.8-72.9154.6000110.4I183 L184 E185 L189 I190 I191 H297 Y298 R301I183-I187 HydrophobicContact CG2-CD1 3.86Å; I183-I187 WeakPolarHBondContact O-CD1 3.33Å; I183-I187 WeakPolarHBondContact O-CG1 3.49Å; I183-I187 PolarHBondContact O-N 3Å; L184-I187 WeakPolarHBondContact O-CB 3.48Å; L184-I187 PolarHBondContact O-N 3.01Å; E185-I187 VanDerWaalsContact C-N 3.29Å; E185-I187 PolarHBondContact O-N 2.71Å; I187-L189 VanDerWaalsContact C-N 3.32Å; I187-L189 PolarHBondContact O-N 3.46Å; I187-I190 PolarHBondContact O-N 3.48Å; I187-I191 HydrophobicContact CG2-CD1 3.69Å; I187-I191 HydrophobicContact CG2-CG1 4.44Å; I187-I191 VanDerWaalsContact O-CG1 3.23Å; I187-I191 WeakPolarHBondContact O-CG1 3.34Å; I187-I191 PolarHBondContact O-N 3.29Å; I187-H297 HydrophobicContact CD1-CB 4.47Å; I187-Y298 HydrophobicContact CG1-CD2 4.32Å; I187-R301 HydrophobicContact CG2-CG 4.28Å
188V96.1Very high92.8Very high8 Ų822.4 Ų22.45%0.04811%0.109CC..Hα-helixtrans-58.7-44.2177.1170.30000111.4F64 C100 A101 N104 L184 E185 H186 F192F64-V188 HydrophobicContact CB-CG2 4.19Å; F64-V188 HydrophobicContact CD1-CG2 3.79Å; F64-V188 HydrophobicContact CD2-CG2 3.6Å; F64-V188 HydrophobicContact CE1-CG2 3.98Å; F64-V188 HydrophobicContact CE2-CG2 3.81Å; F64-V188 HydrophobicContact CG-CG2 3.59Å; F64-V188 HydrophobicContact CZ-CG2 3.98Å; C100-V188 HydrophobicContact CB-CG1 3.93Å; A101-V188 HydrophobicContact CB-CG1 4.08Å; N104-V188 PolarHBondContact ND2-O 2.92Å; L184-V188 WeakPolarHBondContact O-CG2 3.27Å; L184-V188 PolarHBondContact O-N 3.31Å; L184-V188 VanDerWaalsContact O-N 3.11Å; E185-V188 WeakPolarHBondContact O-CB 3.39Å; E185-V188 PolarHBondContact O-N 3.39Å; E185-V188 VanDerWaalsContact O-N 3.13Å; H186-V188 VanDerWaalsContact C-N 3.32Å; H186-V188 PolarHBondContact O-N 2.84Å; V188-F192 WeakPolarHBondContact O-CB 3.27Å; V188-F192 PolarHBondContact O-N 3.44Å
189L97.7Very high93.2Very high0 Ų020 Ų200%010%0.099CC..Hα-helixtrans-69.2-38.8179.8-64.9-177.5000112.8L97 C100 V131 I134 L135 E185 H186 I187 F192 L193L97-L189 HydrophobicContact CD2-CD1 4.18Å; L97-L189 HydrophobicContact CD2-CD2 3.78Å; L97-L189 HydrophobicContact CD2-CG 3.83Å; C100-L189 HydrophobicContact CB-CD2 3.99Å; V131-L189 HydrophobicContact CG1-CB 4.23Å; V131-L189 HydrophobicContact CG1-CD2 4.06Å; V131-L189 HydrophobicContact CG1-CG 4.5Å; V131-L189 HydrophobicContact CG2-CD2 4.02Å; I134-L189 HydrophobicContact CB-CD1 3.88Å; I134-L189 HydrophobicContact CG2-CD1 3.5Å; I134-L189 VanDerWaalsContact CG2-CD1 3.5Å; L135-L189 HydrophobicContact CD1-CB 4.15Å; L135-L189 HydrophobicContact CD2-CB 3.85Å; L135-L189 HydrophobicContact CD2-CD1 4.1Å; L135-L189 HydrophobicContact CG-CB 4.02Å; L135-L189 HydrophobicContact CG-CD1 3.93Å; E185-L189 WeakPolarHBondContact O-CG 3.3Å; E185-L189 PolarHBondContact O-N 3.11Å; H186-L189 PolarHBondContact O-N 3.27Å; I187-L189 VanDerWaalsContact C-N 3.32Å; I187-L189 PolarHBondContact O-N 3.46Å; L189-F192 WeakPolarHBondContact O-CB 3.33Å; L189-F192 PolarHBondContact O-N 3.24Å; L189-L193 WeakPolarHBondContact O-CG 3.22Å; L189-L193 PolarHBondContact O-N 3.01Å
190I97Very high93.3Very high4 Ų418.5 Ų18.52%0.0219%0.092CC..Hα-helixtrans-64.9-44.2176.3-72.8166.7000110.7L135 H186 I187 F192 L193 S194 Y298 R301 F302 L305L135-I190 HydrophobicContact CD2-CG1 4.31Å; H186-I190 WeakPolarHBondContact O-CB 3.35Å; H186-I190 VanDerWaalsContact O-CG1 3.27Å; H186-I190 WeakPolarHBondContact O-CG1 3.47Å; H186-I190 PolarHBondContact O-N 2.97Å; I187-I190 PolarHBondContact O-N 3.48Å; I190-F192 VanDerWaalsContact C-N 3.3Å; I190-F192 PolarHBondContact O-N 2.87Å; I190-L193 PolarHBondContact O-N 3.41Å; I190-S194 PolarHBondContact O-N 2.92Å; I190-Y298 HydrophobicContact CD1-CD2 3.82Å; I190-Y298 HydrophobicContact CD1-CE2 3.37Å; I190-R301 HydrophobicContact CG2-CB 4.07Å; I190-R301 WeakPolarHBondContact CG2-O 3.03Å; I190-F302 HydrophobicContact CD1-CB 4.44Å; I190-F302 HydrophobicContact CD1-CD2 4.01Å; I190-L305 HydrophobicContact CG2-CB 4.11Å; I190-L305 HydrophobicContact CG2-CD2 4.2Å
191I94.9Very high92.9Very high31 Ų3115.8 Ų15.816%0.1599%0.085CC..Hα-helixtrans-61.5-43.1175.7-65.7165.5000110N104 I187 L193 S194 H195N104-I191 HydrophobicContact CB-CG2 3.99Å; N104-I191 VanDerWaalsContact CG-CG2 3.46Å; I187-I191 HydrophobicContact CG2-CD1 3.69Å; I187-I191 HydrophobicContact CG2-CG1 4.44Å; I187-I191 VanDerWaalsContact O-CG1 3.23Å; I187-I191 WeakPolarHBondContact O-CG1 3.34Å; I187-I191 PolarHBondContact O-N 3.29Å; I191-L193 PolarHBondContact O-N 2.73Å; I191-S194 WeakPolarHBondContact O-CB 3.39Å; I191-S194 PolarHBondContact O-N 3.31Å; I191-H195 WeakPolarHBondContact CG2-NE2 3.47Å; I191-H195 PolarHBondContact O-CD2 2.8Å; I191-H195 PolarHBondContact O-N 3.34Å
192F97Very high92.3Very high0 Ų014.8 Ų14.80%08%0.081CC..Hα-helixtrans-60-45.5175.8167.9-97.6000111.8C100 V103 N104 F124 L127 I128 V131 V188 L189 I190 S194 H195 C196C100-F192 HydrophobicContact CB-CB 3.89Å; C100-F192 HydrophobicContact CB-CD2 4.14Å; C100-F192 HydrophobicContact CB-CG 3.94Å; V103-F192 HydrophobicContact CB-CD2 3.89Å; V103-F192 HydrophobicContact CB-CE2 4.21Å; V103-F192 HydrophobicContact CG1-CD2 3.66Å; V103-F192 HydrophobicContact CG1-CE2 3.99Å; V103-F192 HydrophobicContact CG2-CD2 4.31Å; V103-F192 HydrophobicContact CG2-CE2 4.14Å; N104-F192 WeakPolarHBondContact OD1-CA 3.32Å; N104-F192 PolarHBondContact OD1-N 2.87Å; N104-F192 VanDerWaalsContact OD1-N 3.13Å; F124-F192 HydrophobicContact CE2-CZ 4.37Å; F124-F192 HydrophobicContact CZ-CZ 4.16Å; L127-F192 HydrophobicContact CD2-CZ 4.01Å; I128-F192 HydrophobicContact CD1-CE1 3.76Å; I128-F192 HydrophobicContact CD1-CZ 4.05Å; V131-F192 HydrophobicContact CG1-CD1 4.24Å; V131-F192 HydrophobicContact CG1-CE1 4.47Å; V131-F192 HydrophobicContact CG2-CD1 4.23Å; V131-F192 HydrophobicContact CG2-CE1 3.99Å; V188-F192 WeakPolarHBondContact O-CB 3.27Å; V188-F192 PolarHBondContact O-N 3.44Å; L189-F192 WeakPolarHBondContact O-CB 3.33Å; L189-F192 PolarHBondContact O-N 3.24Å; I190-F192 VanDerWaalsContact C-N 3.3Å; I190-F192 PolarHBondContact O-N 2.87Å; F192-S194 PolarHBondContact O-N 2.93Å; F192-H195 PolarHBondContact O-N 2.84Å; F192-C196 VanDerWaalsContact CZ-SG 3.58Å; F192-C196 PolarHBondContact O-N 2.98Å; F192-C196 PolarHBondContact O-SG 3.48Å; F192-C196 VanDerWaalsContact O-SG 3.36Å
193L96.6Very high91.9Very high1 Ų115.4 Ų15.41%0.0059%0.085CC..Hα-helixtrans-62.6-40.8175.1-73.8-179.3000112.1V131 L132 L135 L189 I190 I191 H195 C196 F197 F267 L305V131-L193 HydrophobicContact CG1-CD1 4.44Å; V131-L193 HydrophobicContact CG1-CD2 4.19Å; V131-L193 HydrophobicContact CG1-CG 4.19Å; L132-L193 HydrophobicContact CD2-CD1 4.37Å; L132-L193 HydrophobicContact CD2-CD2 4.49Å; L135-L193 HydrophobicContact CD1-CD1 3.48Å; L135-L193 VanDerWaalsContact CD1-CD1 3.48Å; L189-L193 WeakPolarHBondContact O-CG 3.22Å; L189-L193 PolarHBondContact O-N 3.01Å; I190-L193 PolarHBondContact O-N 3.41Å; I191-L193 PolarHBondContact O-N 2.73Å; L193-H195 VanDerWaalsContact C-N 3.34Å; L193-H195 PolarHBondContact O-N 3.42Å; L193-C196 WeakPolarHBondContact O-CA 3.24Å; L193-C196 VanDerWaalsContact O-CB 3.3Å; L193-C196 WeakPolarHBondContact O-CB 3.42Å; L193-C196 PolarHBondContact O-N 2.97Å; L193-C196 VanDerWaalsContact O-N 3.13Å; L193-F197 HydrophobicContact CB-CD2 4.39Å; L193-F197 HydrophobicContact CB-CE2 4.4Å; L193-F197 WeakPolarHBondContact O-CD2 3.43Å; L193-F197 PolarHBondContact O-N 3.16Å; L193-F267 HydrophobicContact CD1-CE1 4.27Å; L193-F267 HydrophobicContact CD1-CZ 4.05Å; L193-L305 HydrophobicContact CB-CD1 4.36Å
194S93.8Very high91.3Very high12 Ų1215.5 Ų15.58%0.0849%0.088CC..Hα-helixtrans-58.4-44.6174.3166.30000111.3I190 I191 F192 C196 F197 T198 D308I190-S194 PolarHBondContact O-N 2.92Å; I191-S194 WeakPolarHBondContact O-CB 3.39Å; I191-S194 PolarHBondContact O-N 3.31Å; F192-S194 PolarHBondContact O-N 2.93Å; S194-C196 VanDerWaalsContact C-N 3.34Å; S194-C196 PolarHBondContact O-N 3.31Å; S194-F197 PolarHBondContact O-N 3.41Å; S194-T198 WeakPolarHBondContact O-CB 3.49Å; S194-T198 VanDerWaalsContact O-CG2 3.3Å; S194-T198 WeakPolarHBondContact O-CG2 3.47Å; S194-T198 PolarHBondContact O-N 2.87Å; S194-T198 PolarHBondContact O-OG1 3.12Å; S194-D308 PolarHBondContact OG-OD2 3.39Å
195H93.1Very high90.9Very high43 Ų4314.4 Ų14.420%0.1998%0.082CC..Hα-helixtrans-62.5-39.7173.9-67.8-45.4000112.5N104 A107 W114 I191 F192 L193 T198 N199N104-H195 PolarHBondContact OD1-CD2 2.92Å; A107-H195 WeakPolarHBondContact CB-CE1 3.42Å; A107-H195 WeakPolarHBondContact CB-NE2 3.42Å; W114-H195 HydrophobicContact CZ2-CB 4.42Å; W114-H195 WeakPolarHBondContact CZ2-O 3.42Å; I191-H195 WeakPolarHBondContact CG2-NE2 3.47Å; I191-H195 PolarHBondContact O-CD2 2.8Å; I191-H195 PolarHBondContact O-N 3.34Å; F192-H195 PolarHBondContact O-N 2.84Å; L193-H195 VanDerWaalsContact C-N 3.34Å; L193-H195 PolarHBondContact O-N 3.42Å; H195-T198 WeakPolarHBondContact CA-OG1 3.47Å; H195-T198 PolarHBondContact O-OG1 3.48Å; H195-N199 PolarHBondContact O-N 2.9Å; H195-N199 PolarHBondContact O-ND2 3.22Å
196C94.2Very high90.7Very high0 Ų014.3 Ų14.30%08%0.082CC..Hα-helixtrans-61.2-48.1174.3-76.70000112.4F192 L193 S194 N199 L200 L206 L210F192-C196 VanDerWaalsContact CZ-SG 3.58Å; F192-C196 PolarHBondContact O-N 2.98Å; F192-C196 PolarHBondContact O-SG 3.48Å; F192-C196 VanDerWaalsContact O-SG 3.36Å; L193-C196 WeakPolarHBondContact O-CA 3.24Å; L193-C196 VanDerWaalsContact O-CB 3.3Å; L193-C196 WeakPolarHBondContact O-CB 3.42Å; L193-C196 PolarHBondContact O-N 2.97Å; L193-C196 VanDerWaalsContact O-N 3.13Å; S194-C196 VanDerWaalsContact C-N 3.34Å; S194-C196 PolarHBondContact O-N 3.31Å; C196-N199 PolarHBondContact O-N 3.29Å; C196-L200 PolarHBondContact O-N 3.3Å; C196-L206 HydrophobicContact CB-CD2 4.25Å; C196-L206 WeakPolarHBondContact O-CD1 3.47Å; C196-L210 HydrophobicContact CB-CD1 3.75Å
197F92.7Very high90.3Very high1 Ų118.4 Ų18.40%0.00410%0.097CC..Hα-helixtrans-68-45-179.2-79.2-68.1000112.4L193 S194 N199 L200 L210 L213 Y214 L305 L309 M312 T315L193-F197 HydrophobicContact CB-CD2 4.39Å; L193-F197 HydrophobicContact CB-CE2 4.4Å; L193-F197 WeakPolarHBondContact O-CD2 3.43Å; L193-F197 PolarHBondContact O-N 3.16Å; S194-F197 PolarHBondContact O-N 3.41Å; F197-N199 PolarHBondContact O-N 2.81Å; F197-N199 VanDerWaalsContact O-N 3.14Å; F197-L200 HydrophobicContact CD1-CD1 3.69Å; F197-L200 HydrophobicContact CD1-CG 4.4Å; F197-L200 HydrophobicContact CE1-CD1 4.42Å; F197-L200 WeakPolarHBondContact O-CB 3.35Å; F197-L200 VanDerWaalsContact O-CG 3.28Å; F197-L200 WeakPolarHBondContact O-CG 3.49Å; F197-L200 PolarHBondContact O-N 3.01Å; F197-L200 VanDerWaalsContact O-N 3.11Å; F197-L210 HydrophobicContact CE1-CB 4.43Å; F197-L210 HydrophobicContact CZ-CD2 4.42Å; F197-L213 HydrophobicContact CE2-CD1 4.41Å; F197-L213 HydrophobicContact CZ-CB 4.16Å; F197-L213 HydrophobicContact CZ-CD1 3.68Å; F197-Y214 HydrophobicContact CE1-CD1 4.33Å; F197-L305 HydrophobicContact CD2-CD1 3.87Å; F197-L305 HydrophobicContact CE2-CD1 4.42Å; F197-L309 HydrophobicContact CB-CD2 4.29Å; F197-L309 HydrophobicContact CD1-CD2 3.46Å; F197-L309 VanDerWaalsContact CD1-CD2 3.46Å; F197-L309 HydrophobicContact CD2-CD2 3.92Å; F197-L309 HydrophobicContact CE1-CD2 3.65Å; F197-L309 HydrophobicContact CE2-CD2 4.08Å; F197-L309 HydrophobicContact CG-CD2 3.63Å; F197-L309 HydrophobicContact CZ-CD2 3.96Å; F197-M312 HydrophobicContact CB-CE 4.08Å; F197-M312 WeakPolarHBondContact O-CE 3.5Å; F197-T315 HydrophobicContact CD1-CG2 4.39Å
198T89.3Confident89.8Confident48 Ų4824.7 Ų24.729%0.29412%0.12SC..Hα-helixtrans-65.4-16.8-179.651.60000114.1S194 H195 D308 K545S194-T198 WeakPolarHBondContact O-CB 3.49Å; S194-T198 VanDerWaalsContact O-CG2 3.3Å; S194-T198 WeakPolarHBondContact O-CG2 3.47Å; S194-T198 PolarHBondContact O-N 2.87Å; S194-T198 PolarHBondContact O-OG1 3.12Å; H195-T198 WeakPolarHBondContact CA-OG1 3.47Å; H195-T198 PolarHBondContact O-OG1 3.48Å; T198-D308 HydrophobicContact CG2-CB 4.09Å; T198-K545 HydrophobicContact CG2-CD 4.29Å
199N89.3Confident89.4Confident35 Ų3524.5 Ų24.519%0.18712%0.119CC..THydrogen-bonded Turntrans-106.79.9176.7-70.1-89.9000113.7W114 H195 C196 F197 A201 E202 V203 L206W114-N199 HydrophobicContact CZ2-CB 4Å; W114-N199 VanDerWaalsContact NE1-CG 3.29Å; W114-N199 PolarHBondContact NE1-OD1 3.45Å; H195-N199 PolarHBondContact O-N 2.9Å; H195-N199 PolarHBondContact O-ND2 3.22Å; C196-N199 PolarHBondContact O-N 3.29Å; F197-N199 PolarHBondContact O-N 2.81Å; F197-N199 VanDerWaalsContact O-N 3.14Å; N199-A201 VanDerWaalsContact C-N 3.26Å; N199-A201 PolarHBondContact O-N 3.47Å; N199-E202 PolarHBondContact O-N 3.45Å; N199-V203 HydrophobicContact CB-CG2 4.22Å; N199-V203 PolarHBondContact O-N 2.95Å; N199-L206 HydrophobicContact CB-CD1 3.61Å
200L86.8Confident89.2Confident3 Ų324.5 Ų24.52%0.01612%0.119CC..THydrogen-bonded Turntrans-52.7-43.2178.9-84.7173.9000112.8C196 F197 E202 L206 R207 L210 Y214 M312 T315C196-L200 PolarHBondContact O-N 3.3Å; F197-L200 HydrophobicContact CD1-CD1 3.69Å; F197-L200 HydrophobicContact CD1-CG 4.4Å; F197-L200 HydrophobicContact CE1-CD1 4.42Å; F197-L200 WeakPolarHBondContact O-CB 3.35Å; F197-L200 VanDerWaalsContact O-CG 3.28Å; F197-L200 WeakPolarHBondContact O-CG 3.49Å; F197-L200 PolarHBondContact O-N 3.01Å; F197-L200 VanDerWaalsContact O-N 3.11Å; L200-E202 VanDerWaalsContact C-N 3.28Å; L200-E202 PolarHBondContact O-N 2.95Å; L200-L206 HydrophobicContact CD2-CB 4.33Å; L200-R207 HydrophobicContact CB-CG 4.44Å; L200-R207 HydrophobicContact CD2-CG 3.98Å; L200-R207 WeakPolarHBondContact O-CD 3.47Å; L200-R207 VanDerWaalsContact O-CG 3.23Å; L200-R207 WeakPolarHBondContact O-CG 3.37Å; L200-R207 PolarHBondContact O-NE 3.43Å; L200-R207 VanDerWaalsContact O-NE 3.11Å; L200-L210 HydrophobicContact CD2-CB 4.15Å; L200-L210 HydrophobicContact CD2-CD1 3.83Å; L200-Y214 HydrophobicContact CD1-CE1 4.16Å; L200-Y214 HydrophobicContact CD2-CE1 4.33Å; L200-M312 HydrophobicContact CD1-CE 4.32Å; L200-T315 HydrophobicContact CD1-CG2 4.11Å
201A77.7Confident88.9Confident22 Ų2231.3 Ų31.318%0.18215%0.145CC..THydrogen-bonded Turntrans-70.3-21.2-178.100000113.4N199 L548 Q549 M928N199-A201 VanDerWaalsContact C-N 3.26Å; N199-A201 PolarHBondContact O-N 3.47Å; A201-L548 HydrophobicContact CB-CB 3.94Å; A201-L548 HydrophobicContact CB-CD1 4.11Å; A201-Q549 HydrophobicContact CB-CG 4.15Å; A201-M928 WeakPolarHBondContact O-CE 3.47Å
202E79.1Confident88.8Confident54 Ų5431.2 Ų31.225%0.25214%0.144SC..THydrogen-bonded Turntrans-98.8-29.9-176.3-166.9171.4151.400112.6N199 L200 L548 M928 K1371N199-E202 PolarHBondContact O-N 3.45Å; L200-E202 VanDerWaalsContact C-N 3.28Å; L200-E202 PolarHBondContact O-N 2.95Å; E202-L548 HydrophobicContact CB-CD1 3.7Å; E202-L548 HydrophobicContact CG-CD1 4.24Å; E202-M928 WeakPolarHBondContact O-CE 3.41Å; E202-K1371 VanDerWaalsContact CD-NZ 3.35Å; E202-K1371 IonicContact OE1-NZ 3.5Å; E202-K1371 PolarHBondContact OE1-NZ 2.99Å; E202-K1371 VanDerWaalsContact OE1-NZ 3.12Å; E202-K1371 IonicContact OE2-NZ 3.65Å; E202-K1371 PolarHBondContact OE2-NZ 3.08Å
203V82Confident88.6Confident13 Ų1331.2 Ų31.28%0.07914%0.144CC..  trans-119.7116.6-168.3-171.20000111.8W114 N199 V205 L206 R207W114-V203 HydrophobicContact CB-CG1 4.06Å; W114-V203 HydrophobicContact CB-CG2 3.88Å; W114-V203 HydrophobicContact CD2-CG2 4.13Å; W114-V203 HydrophobicContact CG-CG1 4.28Å; W114-V203 HydrophobicContact CG-CG2 3.52Å; N199-V203 HydrophobicContact CB-CG2 4.22Å; N199-V203 PolarHBondContact O-N 2.95Å; V203-V205 HydrophobicContact CG1-CB 4.25Å; V203-V205 PolarHBondContact O-N 3.43Å; V203-L206 HydrophobicContact CB-CB 4.17Å; V203-L206 HydrophobicContact CB-CD1 3.66Å; V203-L206 HydrophobicContact CB-CG 3.73Å; V203-L206 HydrophobicContact CG1-CB 4.45Å; V203-L206 HydrophobicContact CG1-CD1 4.15Å; V203-L206 HydrophobicContact CG1-CG 3.8Å; V203-L206 HydrophobicContact CG2-CD1 3.87Å; V203-L206 HydrophobicContact CG2-CG 4.43Å; V203-L206 PolarHBondContact O-N 3.09Å; V203-R207 PolarHBondContact O-N 2.9Å
204G79.6Confident88.5Confident9 Ų932.3 Ų32.39%0.09315%0.148CC..Hα-helixtrans-61.5-39.5-179.900000113.9L206 R207 R208G204-L206 VanDerWaalsContact C-N 3.34Å; G204-L206 PolarHBondContact O-N 2.8Å; G204-R207 PolarHBondContact O-N 2.77Å; G204-R208 PolarHBondContact O-N 3.34Å
205V86.4Confident88.4Confident6 Ų632.6 Ų32.64%0.03615%0.15CC..Hα-helixtrans-59.2-43.7177.2-177.70000111.2V118 A121 F124 V203 R208 S209V118-V205 HydrophobicContact CG2-CG2 4.41Å; A121-V205 HydrophobicContact CB-CG1 4.24Å; A121-V205 HydrophobicContact CB-CG2 3.64Å; F124-V205 HydrophobicContact CB-CG1 3.69Å; F124-V205 HydrophobicContact CD1-CG1 3.71Å; F124-V205 HydrophobicContact CG-CG1 3.78Å; V203-V205 HydrophobicContact CG1-CB 4.25Å; V203-V205 PolarHBondContact O-N 3.43Å; V205-R208 PolarHBondContact O-N 3Å; V205-S209 PolarHBondContact O-N 3.01Å; V205-S209 PolarHBondContact O-OG 3.25Å
206L90.5Very high88.3Confident1 Ų131 Ų311%0.00514%0.143CC..Hα-helixtrans-62.7-47178.1-62-179.8000111.8W114 F124 C196 N199 L200 V203 G204 R208 S209 L210W114-L206 HydrophobicContact CD2-CD1 4.03Å; W114-L206 HydrophobicContact CE3-CD1 4.13Å; W114-L206 HydrophobicContact CE3-CD2 4.06Å; W114-L206 HydrophobicContact CE3-CG 4.36Å; W114-L206 HydrophobicContact CH2-CD1 3.87Å; W114-L206 HydrophobicContact CH2-CD2 3.98Å; W114-L206 HydrophobicContact CZ2-CD1 3.74Å; W114-L206 HydrophobicContact CZ3-CD1 4.07Å; W114-L206 HydrophobicContact CZ3-CD2 3.65Å; W114-L206 HydrophobicContact CZ3-CG 4.32Å; F124-L206 HydrophobicContact CD1-CD2 4.45Å; F124-L206 HydrophobicContact CE1-CD2 3.4Å; F124-L206 HydrophobicContact CE2-CD2 4.42Å; F124-L206 HydrophobicContact CZ-CD2 3.37Å; C196-L206 HydrophobicContact CB-CD2 4.25Å; C196-L206 WeakPolarHBondContact O-CD1 3.47Å; N199-L206 HydrophobicContact CB-CD1 3.61Å; L200-L206 HydrophobicContact CD2-CB 4.33Å; V203-L206 HydrophobicContact CB-CB 4.17Å; V203-L206 HydrophobicContact CB-CD1 3.66Å; V203-L206 HydrophobicContact CB-CG 3.73Å; V203-L206 HydrophobicContact CG1-CB 4.45Å; V203-L206 HydrophobicContact CG1-CD1 4.15Å; V203-L206 HydrophobicContact CG1-CG 3.8Å; V203-L206 HydrophobicContact CG2-CD1 3.87Å; V203-L206 HydrophobicContact CG2-CG 4.43Å; V203-L206 PolarHBondContact O-N 3.09Å; G204-L206 VanDerWaalsContact C-N 3.34Å; G204-L206 PolarHBondContact O-N 2.8Å; L206-R208 VanDerWaalsContact C-N 3.27Å; L206-R208 PolarHBondContact O-N 2.78Å; L206-S209 PolarHBondContact O-N 3.11Å; L206-L210 HydrophobicContact CB-CD1 4.1Å; L206-L210 HydrophobicContact CD2-CD1 4.47Å; L206-L210 VanDerWaalsContact O-CB 3.31Å; L206-L210 WeakPolarHBondContact O-CB 3.24Å; L206-L210 WeakPolarHBondContact O-CG 3.29Å; L206-L210 PolarHBondContact O-N 3.03Å
207R86.6Confident88.1Confident86 Ų8631.4 Ų31.433%0.32515%0.146SC..Hα-helixtrans-58.2-40.1175.7-94.3-178.3-62.8141.44.8112.3L200 V203 G204 R211 M928L200-R207 HydrophobicContact CB-CG 4.44Å; L200-R207 HydrophobicContact CD2-CG 3.98Å; L200-R207 WeakPolarHBondContact O-CD 3.47Å; L200-R207 VanDerWaalsContact O-CG 3.23Å; L200-R207 WeakPolarHBondContact O-CG 3.37Å; L200-R207 PolarHBondContact O-NE 3.43Å; L200-R207 VanDerWaalsContact O-NE 3.11Å; V203-R207 PolarHBondContact O-N 2.9Å; G204-R207 PolarHBondContact O-N 2.77Å; R207-R211 WeakPolarHBondContact O-CB 3.45Å; R207-R211 PolarHBondContact O-N 2.92Å; R207-M928 PolarHBondContact NH2-SD 2.77Å
208R84.7Confident88.2Confident141 Ų14131.4 Ų31.453%0.53215%0.146SC..Hα-helixtrans-65.3-47.4177.9-171.1-174.5-59.9165.83.6111.4G204 V205 L206G204-R208 PolarHBondContact O-N 3.34Å; V205-R208 PolarHBondContact O-N 3Å; L206-R208 VanDerWaalsContact C-N 3.27Å; L206-R208 PolarHBondContact O-N 2.78Å
209S89.3Confident88.4Confident5 Ų529.2 Ų29.24%0.03513%0.133CC..Hα-helixtrans-80.4-23-172.3-56.30000114.4S125 V205 L206S125-S209 PolarHBondContact OG-OG 2.83Å; V205-S209 PolarHBondContact O-N 3.01Å; V205-S209 PolarHBondContact O-OG 3.25Å; L206-S209 PolarHBondContact O-N 3.11Å
210L92.9Very high88.3Confident0 Ų030.4 Ų30.40%014%0.137CC..Hα-helixtrans-104.7-8.7-175.8-60.7163.2000113.9I128 C196 F197 L200 L206 E212 L213 Y214I128-L210 HydrophobicContact CD1-CD2 4.03Å; I128-L210 HydrophobicContact CG1-CD2 4.26Å; I128-L210 HydrophobicContact CG2-CD2 3.93Å; C196-L210 HydrophobicContact CB-CD1 3.75Å; F197-L210 HydrophobicContact CE1-CB 4.43Å; F197-L210 HydrophobicContact CZ-CD2 4.42Å; L200-L210 HydrophobicContact CD2-CB 4.15Å; L200-L210 HydrophobicContact CD2-CD1 3.83Å; L206-L210 HydrophobicContact CB-CD1 4.1Å; L206-L210 HydrophobicContact CD2-CD1 4.47Å; L206-L210 VanDerWaalsContact O-CB 3.31Å; L206-L210 WeakPolarHBondContact O-CB 3.24Å; L206-L210 WeakPolarHBondContact O-CG 3.29Å; L206-L210 PolarHBondContact O-N 3.03Å; L210-E212 PolarHBondContact O-N 3.37Å; L210-E212 VanDerWaalsContact O-N 3.08Å; L210-L213 HydrophobicContact CB-CD1 4.48Å; L210-L213 HydrophobicContact CD2-CD1 3.66Å; L210-L213 VanDerWaalsContact O-CB 3.31Å; L210-L213 WeakPolarHBondContact O-CB 3.43Å; L210-L213 PolarHBondContact O-N 3.21Å; L210-Y214 HydrophobicContact CB-CE1 4.31Å; L210-Y214 WeakPolarHBondContact O-CD1 3.46Å; L210-Y214 VanDerWaalsContact O-CE1 3.27Å; L210-Y214 WeakPolarHBondContact O-CE1 3.41Å
211R90.9Very high88.2Confident147 Ų14733.7 Ų33.756%0.55516%0.155SC*.G310 helixtrans-46.9-43.5-173-178.9-178.8172.9-159.8-5.2114.2R207 L213 Y214 S215R207-R211 WeakPolarHBondContact O-CB 3.45Å; R207-R211 PolarHBondContact O-N 2.92Å; R211-L213 VanDerWaalsContact C-N 3.25Å; R211-L213 PolarHBondContact O-N 2.93Å; R211-Y214 PolarHBondContact O-N 3.41Å; R211-S215 PolarHBondContact O-N 3.31Å
212E92.2Very high88.7Confident28 Ų2834 Ų3413%0.13115%0.153CC..G310 helixtrans-70.9-22.2-174.8-59.2-53140.100112.5L210 Y214 S215 M261 Q264 H265L210-E212 PolarHBondContact O-N 3.37Å; L210-E212 VanDerWaalsContact O-N 3.08Å; E212-Y214 PolarHBondContact O-N 3.06Å; E212-S215 WeakPolarHBondContact O-CB 3.26Å; E212-S215 PolarHBondContact O-N 2.98Å; E212-M261 HydrophobicContact CG-CG 4.35Å; E212-M261 WeakPolarHBondContact OE2-CE 3.43Å; E212-Q264 HydrophobicContact CB-CB 3.83Å; E212-H265 PolarHBondContact O-CD2 2.86Å; E212-H265 IonicContact OE2-CD2 4Å; E212-H265 IonicContact OE2-CE1 3.76Å; E212-H265 IonicContact OE2-NE2 3.61Å; E212-H265 PolarHBondContact OE2-NE2 3.41Å
213L94Very high89.3Confident1 Ų132 Ų321%0.00514%0.143CC..G310 helixtrans-68.7-15177.3-59.1-179.9000113.7L132 F197 L210 R211 I218 Q264 F267L132-L213 HydrophobicContact CD1-CD1 4.32Å; L132-L213 HydrophobicContact CD1-CD2 3.83Å; L132-L213 HydrophobicContact CD2-CD1 4.06Å; L132-L213 HydrophobicContact CD2-CD2 4.24Å; F197-L213 HydrophobicContact CE2-CD1 4.41Å; F197-L213 HydrophobicContact CZ-CB 4.16Å; F197-L213 HydrophobicContact CZ-CD1 3.68Å; L210-L213 HydrophobicContact CB-CD1 4.48Å; L210-L213 HydrophobicContact CD2-CD1 3.66Å; L210-L213 VanDerWaalsContact O-CB 3.31Å; L210-L213 WeakPolarHBondContact O-CB 3.43Å; L210-L213 PolarHBondContact O-N 3.21Å; R211-L213 VanDerWaalsContact C-N 3.25Å; R211-L213 PolarHBondContact O-N 2.93Å; L213-I218 VanDerWaalsContact O-CD1 3.27Å; L213-I218 WeakPolarHBondContact O-CD1 3.37Å; L213-Q264 HydrophobicContact CD2-CB 4.11Å; L213-Q264 HydrophobicContact CD2-CG 4.48Å; L213-Q264 WeakPolarHBondContact CD2-O 3.41Å; L213-F267 HydrophobicContact CD2-CB 3.91Å; L213-F267 HydrophobicContact CD2-CD1 3.97Å; L213-F267 HydrophobicContact CD2-CG 4.18Å
214Y92.5Very high89.4Confident23 Ų2331.5 Ų31.59%0.0914%0.14CC..G310 helixtrans-130.430.6176.758-89.5000112F197 L200 L210 R211 E212 L314 T315F197-Y214 HydrophobicContact CE1-CD1 4.33Å; L200-Y214 HydrophobicContact CD1-CE1 4.16Å; L200-Y214 HydrophobicContact CD2-CE1 4.33Å; L210-Y214 HydrophobicContact CB-CE1 4.31Å; L210-Y214 WeakPolarHBondContact O-CD1 3.46Å; L210-Y214 VanDerWaalsContact O-CE1 3.27Å; L210-Y214 WeakPolarHBondContact O-CE1 3.41Å; R211-Y214 PolarHBondContact O-N 3.41Å; E212-Y214 PolarHBondContact O-N 3.06Å; Y214-L314 HydrophobicContact CD2-CG 4.25Å; Y214-L314 HydrophobicContact CE2-CD1 4.1Å; Y214-L314 HydrophobicContact CE2-CD2 3.92Å; Y214-L314 HydrophobicContact CE2-CG 3.78Å; Y214-T315 HydrophobicContact CD1-CG2 4.02Å; Y214-T315 HydrophobicContact CD2-CG2 4.47Å; Y214-T315 HydrophobicContact CG-CG2 3.92Å
215S91.8Very high89.7Confident18 Ų1835.6 Ų35.613%0.12617%0.165CC..  trans-79.6142.4179.5-177.30000112.4R211 E212 A217 I218 I318R211-S215 PolarHBondContact O-N 3.31Å; E212-S215 WeakPolarHBondContact O-CB 3.26Å; E212-S215 PolarHBondContact O-N 2.98Å; S215-A217 PolarHBondContact O-N 3.11Å; S215-A217 PolarHBondContact OG-N 2.85Å; S215-I218 WeakPolarHBondContact O-CB 3.47Å; S215-I218 WeakPolarHBondContact O-CD1 3.36Å; S215-I218 WeakPolarHBondContact O-CG1 3.28Å; S215-I218 PolarHBondContact O-N 3.35Å; S215-I318 WeakPolarHBondContact O-CG2 3.32Å
216L91.1Very high89.8Confident10 Ų1038 Ų385%0.05218%0.18CC..THydrogen-bonded Turntrans-56.2-23.5172.4-178.466000112.4I218 W219 Y238 L241 L242 L245 I318L216-I218 PolarHBondContact O-N 2.86Å; L216-W219 HydrophobicContact CD1-CD2 3.57Å; L216-W219 HydrophobicContact CD1-CE3 3.46Å; L216-W219 VanDerWaalsContact CD1-CE3 3.46Å; L216-W219 HydrophobicContact CD1-CG 4.15Å; L216-W219 HydrophobicContact CD1-CH2 4.14Å; L216-W219 HydrophobicContact CD1-CZ2 4.23Å; L216-W219 HydrophobicContact CD1-CZ3 3.76Å; L216-W219 WeakPolarHBondContact O-CB 3.12Å; L216-W219 PolarHBondContact O-N 3.35Å; L216-W219 VanDerWaalsContact O-N 3.14Å; L216-Y238 HydrophobicContact CD1-CD1 4.49Å; L216-Y238 HydrophobicContact CD1-CG 4.23Å; L216-Y238 HydrophobicContact CD2-CD1 4.15Å; L216-Y238 HydrophobicContact CD2-CG 4.32Å; L216-L241 HydrophobicContact CD2-CB 3.94Å; L216-L241 HydrophobicContact CD2-CD2 3.84Å; L216-L241 HydrophobicContact CD2-CG 3.99Å; L216-L242 HydrophobicContact CD2-CB 4.38Å; L216-L242 HydrophobicContact CG-CD1 4.4Å; L216-L245 HydrophobicContact CB-CD1 4.22Å; L216-I318 HydrophobicContact CB-CD1 4.03Å; L216-I318 HydrophobicContact CD1-CD1 3.75Å; L216-I318 HydrophobicContact CG-CD1 4.48Å
217A91.8Very high89.8Confident9 Ų939.1 Ų39.17%0.07418%0.184CC..THydrogen-bonded Turntrans-60.6-25176.500000113.6S215 W219 Q220 H265S215-A217 PolarHBondContact O-N 3.11Å; S215-A217 PolarHBondContact OG-N 2.85Å; A217-W219 PolarHBondContact O-N 3.45Å; A217-W219 VanDerWaalsContact O-N 3.16Å; A217-Q220 PolarHBondContact O-N 3.43Å; A217-Q220 VanDerWaalsContact O-N 3.11Å; A217-H265 VanDerWaalsContact CB-CE1 3.43Å; A217-H265 WeakPolarHBondContact CB-CE1 3.44Å
218I93.5Very high90.1Very high1 Ų136.3 Ų36.31%0.00518%0.175CC..Hα-helixtrans-55-35.1175.1-62.3169.9000111L213 S215 L216 Q220 H222 H265 P269 L319 V322L213-I218 VanDerWaalsContact O-CD1 3.27Å; L213-I218 WeakPolarHBondContact O-CD1 3.37Å; S215-I218 WeakPolarHBondContact O-CB 3.47Å; S215-I218 WeakPolarHBondContact O-CD1 3.36Å; S215-I218 WeakPolarHBondContact O-CG1 3.28Å; S215-I218 PolarHBondContact O-N 3.35Å; L216-I218 PolarHBondContact O-N 2.86Å; I218-Q220 VanDerWaalsContact C-N 3.32Å; I218-Q220 PolarHBondContact O-N 3.12Å; I218-H222 HydrophobicContact CG2-CB 4.48Å; I218-H222 WeakPolarHBondContact O-CB 3.24Å; I218-H222 PolarHBondContact O-N 3.07Å; I218-H222 VanDerWaalsContact O-N 3.11Å; I218-H265 HydrophobicContact CG1-CB 4.07Å; I218-P269 HydrophobicContact CG2-CG 3.93Å; I218-L319 HydrophobicContact CD1-CD2 4.05Å; I218-V322 HydrophobicContact CG2-CG2 3.92Å
219W93.7Very high90.4Very high1 Ų133.4 Ų33.40%0.00418%0.177CC..Hα-helixtrans-62.8-38.3-178.9-71.310.5000113L216 A217 L223 L228 E231 L232 Y238 I318 V321L216-W219 HydrophobicContact CD1-CD2 3.57Å; L216-W219 HydrophobicContact CD1-CE3 3.46Å; L216-W219 VanDerWaalsContact CD1-CE3 3.46Å; L216-W219 HydrophobicContact CD1-CG 4.15Å; L216-W219 HydrophobicContact CD1-CH2 4.14Å; L216-W219 HydrophobicContact CD1-CZ2 4.23Å; L216-W219 HydrophobicContact CD1-CZ3 3.76Å; L216-W219 WeakPolarHBondContact O-CB 3.12Å; L216-W219 PolarHBondContact O-N 3.35Å; L216-W219 VanDerWaalsContact O-N 3.14Å; A217-W219 PolarHBondContact O-N 3.45Å; A217-W219 VanDerWaalsContact O-N 3.16Å; W219-L223 HydrophobicContact CB-CD1 3.62Å; W219-L223 HydrophobicContact CB-CG 4.29Å; W219-L223 HydrophobicContact CD2-CD1 4.04Å; W219-L223 HydrophobicContact CG-CD1 3.57Å; W219-L223 HydrophobicContact CG-CG 4.42Å; W219-L223 WeakPolarHBondContact O-CB 3.44Å; W219-L223 PolarHBondContact O-N 3.38Å; W219-L228 HydrophobicContact CB-CD1 4Å; W219-E231 HydrophobicContact CE3-CB 4.47Å; W219-E231 HydrophobicContact CZ3-CB 4.16Å; W219-L232 HydrophobicContact CE3-CD2 4.49Å; W219-Y238 AromaticContact CH2-CD2 3.62Å; W219-Y238 HydrophobicContact CH2-CD2 3.62Å; W219-Y238 AromaticContact CH2-CE2 3.89Å; W219-Y238 HydrophobicContact CH2-CE2 3.89Å; W219-Y238 AromaticContact CZ3-CD2 3.69Å; W219-Y238 HydrophobicContact CZ3-CD2 3.69Å; W219-Y238 HydrophobicContact CZ3-CE2 4.42Å; W219-Y238 HydrophobicContact CZ3-CG 4.3Å; W219-I318 HydrophobicContact CZ2-CD1 4.35Å; W219-I318 PolarHBondContact NE1-O 3.15Å; W219-V321 HydrophobicContact CH2-CG2 4.14Å; W219-V321 HydrophobicContact CZ2-CB 3.94Å; W219-V321 HydrophobicContact CZ2-CG1 4.33Å; W219-V321 HydrophobicContact CZ2-CG2 3.58Å
220Q87.9Confident90.5Very high61 Ų6136.7 Ų36.729%0.28519%0.194SC..Hα-helixtrans-66.3-41.3-175.3-177173.2-8.200112.3A217 I218 L242A217-Q220 PolarHBondContact O-N 3.43Å; A217-Q220 VanDerWaalsContact O-N 3.11Å; I218-Q220 VanDerWaalsContact C-N 3.32Å; I218-Q220 PolarHBondContact O-N 3.12Å; Q220-L242 HydrophobicContact CB-CD1 4.15Å; Q220-L242 HydrophobicContact CB-CD2 4.17Å
221D83.6Confident90.4Very high71 Ų7137.4 Ų37.438%0.3820%0.197SC..Hα-helixtrans-98-21.3-168.3-64.9-21.7000112.3R249D221-R249 IonicContact OD2-NH1 3.09Å; D221-R249 PolarHBondContact OD2-NH1 3.14Å; D221-R249 VanDerWaalsContact OD2-NH1 3.09Å; D221-R249 IonicContact OD2-NH2 3.51Å
222H89Confident90.4Very high30 Ų3032.3 Ų32.314%0.13918%0.18CC..Hα-helixtrans-125.8-12.5-169.2-62.2-64.7000117.4I218 H265 S266 P269 R326 R481I218-H222 HydrophobicContact CG2-CB 4.48Å; I218-H222 WeakPolarHBondContact O-CB 3.24Å; I218-H222 PolarHBondContact O-N 3.07Å; I218-H222 VanDerWaalsContact O-N 3.11Å; H222-H265 PolarHBondContact CD2-O 2.87Å; H222-S266 WeakPolarHBondContact NE2-CA 3.31Å; H222-S266 WeakPolarHBondContact NE2-CB 3.5Å; H222-P269 HydrophobicContact CB-CB 3.93Å; H222-P269 HydrophobicContact CB-CG 3.59Å; H222-R326 PolarHBondContact O-NH2 3.23Å; H222-R481 PolarHBondContact O-NH1 3.14Å
223L90.5Very high90.3Very high11 Ų1139.3 Ų39.36%0.05821%0.21CC..SBendtrans-77.9156.6171.1-68.5177.6000111.6W219 R227 L228 V321 V322 D325W219-L223 HydrophobicContact CB-CD1 3.62Å; W219-L223 HydrophobicContact CB-CG 4.29Å; W219-L223 HydrophobicContact CD2-CD1 4.04Å; W219-L223 HydrophobicContact CG-CD1 3.57Å; W219-L223 HydrophobicContact CG-CG 4.42Å; W219-L223 WeakPolarHBondContact O-CB 3.44Å; W219-L223 PolarHBondContact O-N 3.38Å; L223-R227 HydrophobicContact CD2-CG 4.49Å; L223-L228 HydrophobicContact CB-CB 4.25Å; L223-L228 HydrophobicContact CD1-CD1 4.36Å; L223-V321 HydrophobicContact CD1-CG1 3.83Å; L223-V321 HydrophobicContact CD2-CG1 4.05Å; L223-V322 HydrophobicContact CD2-CG2 4.32Å; L223-D325 HydrophobicContact CD2-CB 3.58Å
224Q85.8Confident90Very high2 Ų242.4 Ų42.41%0.00923%0.232CC..  trans-58.9140.2167.5-65.2177.915.600110.3T226 R227 L228 D325 G434 V436 R481Q224-T226 VanDerWaalsContact C-N 3.26Å; Q224-T226 PolarHBondContact O-N 3.02Å; Q224-R227 HydrophobicContact CB-CB 3.95Å; Q224-R227 WeakPolarHBondContact O-CB 3.44Å; Q224-R227 PolarHBondContact O-N 2.87Å; Q224-R227 VanDerWaalsContact O-N 3.09Å; Q224-L228 WeakPolarHBondContact O-CB 3.43Å; Q224-L228 PolarHBondContact O-N 2.96Å; Q224-D325 WeakPolarHBondContact CG-OD1 3.35Å; Q224-D325 PolarHBondContact N-OD1 3.41Å; Q224-D325 PolarHBondContact N-OD2 2.97Å; Q224-G434 PolarHBondContact OE1-O 3.36Å; Q224-V436 VanDerWaalsContact OE1-C 3.26Å; Q224-R481 VanDerWaalsContact CG-NH2 3.32Å
225P86.1Confident89.8Confident95 Ų9542.8 Ų42.862%0.61724%0.235SC*.Hα-helixtrans-57.7-36.6-178.4-27.535000114S229P225-S229 WeakPolarHBondContact O-CB 3.2Å; P225-S229 PolarHBondContact O-N 3.16Å; P225-S229 VanDerWaalsContact O-N 3.1Å; P225-S229 PolarHBondContact O-OG 3.1Å
226T87.4Confident89.7Confident58 Ų5845.7 Ų45.736%0.35625%0.253SS..Hα-helixtrans-66.4-47.7175.145.90000111.3Q224 S229 L230Q224-T226 VanDerWaalsContact C-N 3.26Å; Q224-T226 PolarHBondContact O-N 3.02Å; T226-S229 PolarHBondContact O-N 3.3Å; T226-L230 WeakPolarHBondContact O-CG 3.44Å; T226-L230 PolarHBondContact O-N 3.34Å; T226-L230 VanDerWaalsContact O-N 3.1Å
227R90.3Very high89.5Confident23 Ų2353.4 Ų53.49%0.08728%0.281CS..Hα-helixtrans-58.8-51175.1178.856.2169.1-170.9-18111.7L223 Q224 S229 L230 E231 D324L223-R227 HydrophobicContact CD2-CG 4.49Å; Q224-R227 HydrophobicContact CB-CB 3.95Å; Q224-R227 WeakPolarHBondContact O-CB 3.44Å; Q224-R227 PolarHBondContact O-N 2.87Å; Q224-R227 VanDerWaalsContact O-N 3.09Å; R227-S229 VanDerWaalsContact C-N 3.27Å; R227-S229 PolarHBondContact O-N 3.11Å; R227-L230 WeakPolarHBondContact O-CB 3.27Å; R227-L230 PolarHBondContact O-N 3.26Å; R227-E231 HydrophobicContact CG-CG 4.4Å; R227-E231 IonicContact CZ-OE1 2.78Å; R227-E231 IonicContact NE-OE1 2.65Å; R227-E231 PolarHBondContact NE-OE1 3.46Å; R227-E231 IonicContact NH1-OE1 2.73Å; R227-E231 PolarHBondContact NH1-OE1 3.32Å; R227-E231 IonicContact NH2-OE1 3.24Å; R227-E231 WeakPolarHBondContact O-CG 3.35Å; R227-E231 PolarHBondContact O-N 3.41Å; R227-D324 IonicContact CZ-OD2 3.22Å; R227-D324 IonicContact NH2-OD2 2.67Å; R227-D324 PolarHBondContact NH2-OD2 3.22Å
228L92.9Very high89.4Confident27 Ų2754 Ų5414%0.14128%0.282CS..Hα-helixtrans-53.5-45.1176.5178.162.6000111.6W219 L223 Q224 L230 E231 L232W219-L228 HydrophobicContact CB-CD1 4Å; L223-L228 HydrophobicContact CB-CB 4.25Å; L223-L228 HydrophobicContact CD1-CD1 4.36Å; Q224-L228 WeakPolarHBondContact O-CB 3.43Å; Q224-L228 PolarHBondContact O-N 2.96Å; L228-L230 VanDerWaalsContact C-N 3.34Å; L228-L230 PolarHBondContact O-N 2.98Å; L228-E231 PolarHBondContact O-N 3.44Å; L228-L232 HydrophobicContact CD1-CD1 3.82Å; L228-L232 HydrophobicContact CD1-CD2 4.41Å; L228-L232 HydrophobicContact CD1-CG 3.89Å; L228-L232 HydrophobicContact CG-CD1 3.99Å; L228-L232 HydrophobicContact CG-CG 4.36Å; L228-L232 WeakPolarHBondContact O-CB 3.41Å; L228-L232 VanDerWaalsContact O-CG 3.26Å; L228-L232 WeakPolarHBondContact O-CG 3.49Å; L228-L232 PolarHBondContact O-N 2.9Å
229S91.4Very high89.3Confident80 Ų8055.1 Ų55.156%0.55929%0.291SS*.Hα-helixtrans-63.3-38.8179.2-59.30000112.5P225 T226 R227 K233P225-S229 WeakPolarHBondContact O-CB 3.2Å; P225-S229 PolarHBondContact O-N 3.16Å; P225-S229 VanDerWaalsContact O-N 3.1Å; P225-S229 PolarHBondContact O-OG 3.1Å; T226-S229 PolarHBondContact O-N 3.3Å; R227-S229 VanDerWaalsContact C-N 3.27Å; R227-S229 PolarHBondContact O-N 3.11Å; S229-K233 VanDerWaalsContact O-CB 3.3Å; S229-K233 WeakPolarHBondContact O-CB 3.32Å; S229-K233 PolarHBondContact O-N 3.42Å; S229-K233 VanDerWaalsContact O-N 3.13Å
230L90.5Very high89.2Confident75 Ų7563 Ų6339%0.39332%0.321SS..Hα-helixtrans-67.6-44.7175.8-69.2172000111.8T226 R227 L228 K233 S234T226-L230 WeakPolarHBondContact O-CG 3.44Å; T226-L230 PolarHBondContact O-N 3.34Å; T226-L230 VanDerWaalsContact O-N 3.1Å; R227-L230 WeakPolarHBondContact O-CB 3.27Å; R227-L230 PolarHBondContact O-N 3.26Å; L228-L230 VanDerWaalsContact C-N 3.34Å; L228-L230 PolarHBondContact O-N 2.98Å; L230-K233 PolarHBondContact O-N 2.75Å; L230-S234 PolarHBondContact O-N 3.13Å; L230-S234 PolarHBondContact O-OG 3.39Å
231E90.9Very high89.2Confident15 Ų1563.9 Ų63.97%0.0733%0.327CS..Hα-helixtrans-64.2-44.1179-68.6-50.1138.100112.3W219 R227 L228 K233 S234 H235 V321W219-E231 HydrophobicContact CE3-CB 4.47Å; W219-E231 HydrophobicContact CZ3-CB 4.16Å; R227-E231 HydrophobicContact CG-CG 4.4Å; R227-E231 IonicContact CZ-OE1 2.78Å; R227-E231 IonicContact NE-OE1 2.65Å; R227-E231 PolarHBondContact NE-OE1 3.46Å; R227-E231 IonicContact NH1-OE1 2.73Å; R227-E231 PolarHBondContact NH1-OE1 3.32Å; R227-E231 IonicContact NH2-OE1 3.24Å; R227-E231 WeakPolarHBondContact O-CG 3.35Å; R227-E231 PolarHBondContact O-N 3.41Å; L228-E231 PolarHBondContact O-N 3.44Å; E231-K233 VanDerWaalsContact C-N 3.3Å; E231-K233 PolarHBondContact O-N 2.97Å; E231-S234 PolarHBondContact O-N 3.31Å; E231-S234 PolarHBondContact O-OG 2.81Å; E231-H235 PolarHBondContact O-N 3.17Å; E231-H235 PolarHBondContact O-ND1 3.11Å; E231-H235 IonicContact OE2-CE1 3.68Å; E231-H235 IonicContact OE2-ND1 3.92Å; E231-V321 HydrophobicContact CG-CG1 3.83Å
232L91.9Very high89.4Confident39 Ų3961 Ų6120%0.20431%0.312CS..Hα-helixtrans-69-29.8177.9-65.9-176.4000112.8W219 L228 H235 A239 L242W219-L232 HydrophobicContact CE3-CD2 4.49Å; L228-L232 HydrophobicContact CD1-CD1 3.82Å; L228-L232 HydrophobicContact CD1-CD2 4.41Å; L228-L232 HydrophobicContact CD1-CG 3.89Å; L228-L232 HydrophobicContact CG-CD1 3.99Å; L228-L232 HydrophobicContact CG-CG 4.36Å; L228-L232 WeakPolarHBondContact O-CB 3.41Å; L228-L232 VanDerWaalsContact O-CG 3.26Å; L228-L232 WeakPolarHBondContact O-CG 3.49Å; L228-L232 PolarHBondContact O-N 2.9Å; L232-H235 CarbonylContact O-C 3.54Å; L232-A239 HydrophobicContact CB-CB 4.23Å; L232-A239 HydrophobicContact CD2-CB 4.22Å; L232-L242 HydrophobicContact CD1-CD2 4.18Å; L232-L242 HydrophobicContact CD2-CD2 4.33Å
233K90.8Very high89.5Confident176 Ų17666.9 Ų66.977%0.76534%0.337SS*.Hα-helixtrans-70.2-41.3173.9-176.1178.4179.5178.90111.7S229 L230 E231 H235S229-K233 VanDerWaalsContact O-CB 3.3Å; S229-K233 WeakPolarHBondContact O-CB 3.32Å; S229-K233 PolarHBondContact O-N 3.42Å; S229-K233 VanDerWaalsContact O-N 3.13Å; L230-K233 PolarHBondContact O-N 2.75Å; E231-K233 VanDerWaalsContact C-N 3.3Å; E231-K233 PolarHBondContact O-N 2.97Å; K233-H235 VanDerWaalsContact C-N 3.35Å
234S86.8Confident89.4Confident65 Ų6573.7 Ų73.746%0.45537%0.366SS..Hα-helixtrans-71.3-30.3177.465.30000112.5L230 E231 P236L230-S234 PolarHBondContact O-N 3.13Å; L230-S234 PolarHBondContact O-OG 3.39Å; E231-S234 PolarHBondContact O-N 3.31Å; E231-S234 PolarHBondContact O-OG 2.81Å; S234-P236 WeakPolarHBondContact O-CD 3.39Å
235H88.4Confident89.4Confident32 Ų3276 Ų7615%0.14838%0.378CS..  trans-12377.5-178.6-57.6109.9000113.5E231 L232 K233 R237 Y238 A239 S364E231-H235 PolarHBondContact O-N 3.17Å; E231-H235 PolarHBondContact O-ND1 3.11Å; E231-H235 IonicContact OE2-CE1 3.68Å; E231-H235 IonicContact OE2-ND1 3.92Å; L232-H235 CarbonylContact O-C 3.54Å; K233-H235 VanDerWaalsContact C-N 3.35Å; H235-R237 PolarHBondContact O-N 3Å; H235-Y238 HydrophobicContact CB-CD2 3.45Å; H235-Y238 VanDerWaalsContact CB-CD2 3.45Å; H235-Y238 HydrophobicContact CB-CE2 4.11Å; H235-Y238 HydrophobicContact CB-CG 4.11Å; H235-Y238 AromaticContact CG-CD2 3.88Å; H235-Y238 PolarHBondContact O-N 3.34Å; H235-A239 PolarHBondContact O-N 2.95Å; H235-S364 VanDerWaalsContact CD2-CB 3.45Å; H235-S364 WeakPolarHBondContact CD2-CB 3.32Å
236P88.9Confident89.4Confident79 Ų7975.3 Ų75.351%0.51337%0.367SS..Hα-helixtrans-58.6-22.7-179.6-25.333.5000114.9S234 R240S234-P236 WeakPolarHBondContact O-CD 3.39Å; P236-R240 PolarHBondContact O-N 2.86Å; P236-R240 PolarHBondContact O-NE 3.44Å
237R87.5Confident89.5Confident172 Ų17279.7 Ų79.765%0.64938%0.381SS*.Hα-helixtrans-64.7-44.2173.6-175.4-178.1178.8-177.21.5111.3H235 R240 L241H235-R237 PolarHBondContact O-N 3Å; R237-R240 PolarHBondContact O-N 3.24Å; R237-L241 PolarHBondContact O-N 3.29Å
238Y90.6Very high89.2Confident20 Ų2084.5 Ų84.58%0.07840%0.4CS..Hα-helixtrans-69.3-37.1178.3-64.1-30.8000111.7L216 W219 H235 R240 L241 L242 E363L216-Y238 HydrophobicContact CD1-CD1 4.49Å; L216-Y238 HydrophobicContact CD1-CG 4.23Å; L216-Y238 HydrophobicContact CD2-CD1 4.15Å; L216-Y238 HydrophobicContact CD2-CG 4.32Å; W219-Y238 AromaticContact CH2-CD2 3.62Å; W219-Y238 HydrophobicContact CH2-CD2 3.62Å; W219-Y238 AromaticContact CH2-CE2 3.89Å; W219-Y238 HydrophobicContact CH2-CE2 3.89Å; W219-Y238 AromaticContact CZ3-CD2 3.69Å; W219-Y238 HydrophobicContact CZ3-CD2 3.69Å; W219-Y238 HydrophobicContact CZ3-CE2 4.42Å; W219-Y238 HydrophobicContact CZ3-CG 4.3Å; H235-Y238 HydrophobicContact CB-CD2 3.45Å; H235-Y238 VanDerWaalsContact CB-CD2 3.45Å; H235-Y238 HydrophobicContact CB-CE2 4.11Å; H235-Y238 HydrophobicContact CB-CG 4.11Å; H235-Y238 AromaticContact CG-CD2 3.88Å; H235-Y238 PolarHBondContact O-N 3.34Å; Y238-R240 VanDerWaalsContact C-N 3.3Å; Y238-R240 PolarHBondContact O-N 3.35Å; Y238-L241 PolarHBondContact O-N 3.39Å; Y238-L241 VanDerWaalsContact O-N 3.14Å; Y238-L242 WeakPolarHBondContact O-CB 3.36Å; Y238-L242 PolarHBondContact O-N 3.02Å; Y238-E363 PolarHBondContact OH-O 3.45Å; Y238-E363 VanDerWaalsContact OH-O 3.13Å
239A90.1Very high88.6Confident25 Ų2585.4 Ų85.421%0.20740%0.402CS..Hα-helixtrans-57.5-41.5172.600000112.7L232 H235 K243L232-A239 HydrophobicContact CB-CB 4.23Å; L232-A239 HydrophobicContact CD2-CB 4.22Å; H235-A239 PolarHBondContact O-N 2.95Å; A239-K243 WeakPolarHBondContact O-CG 3.32Å; A239-K243 PolarHBondContact O-N 2.64Å
240R91.1Very high88.3Confident168 Ų16886.4 Ų86.463%0.63440%0.401SS*.Hα-helixtrans-69-40.6175.1-73.6-177.5-75.5164.6-5.4112.5P236 R237 Y238 K244P236-R240 PolarHBondContact O-N 2.86Å; P236-R240 PolarHBondContact O-NE 3.44Å; R237-R240 PolarHBondContact O-N 3.24Å; Y238-R240 VanDerWaalsContact C-N 3.3Å; Y238-R240 PolarHBondContact O-N 3.35Å; R240-K244 PolarHBondContact O-N 3.31Å
241L87.8Confident88.1Confident78 Ų7887.5 Ų87.541%0.40841%0.411SS..Hα-helixtrans-66.9-42.1179.8-174.459.7000111.5L216 R237 Y238 K243 K244 L245L216-L241 HydrophobicContact CD2-CB 3.94Å; L216-L241 HydrophobicContact CD2-CD2 3.84Å; L216-L241 HydrophobicContact CD2-CG 3.99Å; R237-L241 PolarHBondContact O-N 3.29Å; Y238-L241 PolarHBondContact O-N 3.39Å; Y238-L241 VanDerWaalsContact O-N 3.14Å; L241-K243 PolarHBondContact O-N 2.63Å; L241-K244 WeakPolarHBondContact O-CB 3.24Å; L241-K244 PolarHBondContact O-N 3.33Å; L241-K244 VanDerWaalsContact O-N 3.1Å; L241-L245 HydrophobicContact CG-CD1 4.29Å; L241-L245 WeakPolarHBondContact O-CG 3.28Å; L241-L245 PolarHBondContact O-N 3.37Å
242L89.5Confident87.8Confident11 Ų1193.4 Ų93.46%0.05844%0.436CS..Hα-helixtrans-61.7-44178.8-169.565000111.8L216 Q220 L232 Y238 K244 L245 Q246L216-L242 HydrophobicContact CD2-CB 4.38Å; L216-L242 HydrophobicContact CG-CD1 4.4Å; Q220-L242 HydrophobicContact CB-CD1 4.15Å; Q220-L242 HydrophobicContact CB-CD2 4.17Å; L232-L242 HydrophobicContact CD1-CD2 4.18Å; L232-L242 HydrophobicContact CD2-CD2 4.33Å; Y238-L242 WeakPolarHBondContact O-CB 3.36Å; Y238-L242 PolarHBondContact O-N 3.02Å; L242-K244 VanDerWaalsContact C-N 3.28Å; L242-K244 PolarHBondContact O-N 3.14Å; L242-L245 PolarHBondContact O-N 2.92Å; L242-Q246 WeakPolarHBondContact O-CB 3.42Å; L242-Q246 PolarHBondContact O-N 3.27Å
243K90.1Very high87.4Confident154 Ų15492.1 Ų92.167%0.6743%0.43SS*.Hα-helixtrans-58.5-37.5173-71.9179.3-178.1-175.50112.8A239 L241 K247A239-K243 WeakPolarHBondContact O-CG 3.32Å; A239-K243 PolarHBondContact O-N 2.64Å; L241-K243 PolarHBondContact O-N 2.63Å; K243-K247 PolarHBondContact O-N 3.17Å; K243-K247 VanDerWaalsContact O-N 3.1Å
244K88.7Confident87.2Confident154 Ų15485.7 Ų85.767%0.6741%0.407SS*.Hα-helixtrans-69.5-42.9176-72.3-179.1178.7-175.30111.9R240 L241 L242 Q246 K247 Y248R240-K244 PolarHBondContact O-N 3.31Å; L241-K244 WeakPolarHBondContact O-CB 3.24Å; L241-K244 PolarHBondContact O-N 3.33Å; L241-K244 VanDerWaalsContact O-N 3.1Å; L242-K244 VanDerWaalsContact C-N 3.28Å; L242-K244 PolarHBondContact O-N 3.14Å; K244-Q246 VanDerWaalsContact C-N 3.34Å; K244-K247 PolarHBondContact O-N 2.52Å; K244-Y248 PolarHBondContact O-N 3.28Å
245L86.4Confident87.1Confident49 Ų4986.8 Ų86.826%0.25741%0.413SS..Hα-helixtrans-62.9-42.2177.1-70.9173.4000111.3L216 L241 L242 Y248 R249L216-L245 HydrophobicContact CB-CD1 4.22Å; L241-L245 HydrophobicContact CG-CD1 4.29Å; L241-L245 WeakPolarHBondContact O-CG 3.28Å; L241-L245 PolarHBondContact O-N 3.37Å; L242-L245 PolarHBondContact O-N 2.92Å; L245-Y248 WeakPolarHBondContact O-CB 3.45Å; L245-Y248 PolarHBondContact O-N 3.31Å; L245-R249 WeakPolarHBondContact O-CB 3.48Å; L245-R249 PolarHBondContact O-N 3.01Å
246Q86.4Confident86.8Confident82 Ų8289.9 Ų89.938%0.38343%0.434SS..Hα-helixtrans-59.6-50.7174.4-173.5176.410.600111.3L242 K244 Y248 R249 D250L242-Q246 WeakPolarHBondContact O-CB 3.42Å; L242-Q246 PolarHBondContact O-N 3.27Å; K244-Q246 VanDerWaalsContact C-N 3.34Å; Q246-Y248 VanDerWaalsContact C-N 3.25Å; Q246-Y248 PolarHBondContact O-N 2.9Å; Q246-R249 PolarHBondContact O-N 3.23Å; Q246-R249 VanDerWaalsContact O-N 3.13Å; Q246-D250 VanDerWaalsContact O-CG 3.23Å; Q246-D250 PolarHBondContact O-N 2.66Å
247K88.1Confident86.6Confident149 Ų14991.1 Ų91.165%0.64843%0.433SS*.Hα-helixtrans-57-39.1175.8-174177.4-179.6178.10112.3K243 K244 T251K243-K247 PolarHBondContact O-N 3.17Å; K243-K247 VanDerWaalsContact O-N 3.1Å; K244-K247 PolarHBondContact O-N 2.52Å; K247-T251 HydrophobicContact CG-CG2 4.45Å; K247-T251 WeakPolarHBondContact O-CB 3.43Å; K247-T251 WeakPolarHBondContact O-CG2 3.38Å; K247-T251 PolarHBondContact O-N 3.29Å; K247-T251 VanDerWaalsContact O-N 3.15Å; K247-T251 PolarHBondContact O-OG1 2.88Å
248Y83.7Confident86.5Confident125 Ų12586 Ų8649%0.4941%0.413SS..Hα-helixtrans-65-47.2176.4176-97.4000111.9K244 L245 Q246 D250 T251 K252 V253K244-Y248 PolarHBondContact O-N 3.28Å; L245-Y248 WeakPolarHBondContact O-CB 3.45Å; L245-Y248 PolarHBondContact O-N 3.31Å; Q246-Y248 VanDerWaalsContact C-N 3.25Å; Q246-Y248 PolarHBondContact O-N 2.9Å; Y248-D250 VanDerWaalsContact C-N 3.29Å; Y248-D250 PolarHBondContact O-N 3.43Å; Y248-T251 PolarHBondContact O-N 2.76Å; Y248-K252 HydrophobicContact CD2-CB 4.06Å; Y248-K252 HydrophobicContact CD2-CD 3.84Å; Y248-K252 HydrophobicContact CD2-CG 4.33Å; Y248-K252 HydrophobicContact CE2-CB 3.89Å; Y248-K252 HydrophobicContact CE2-CD 3.76Å; Y248-K252 HydrophobicContact CE2-CG 4.39Å; Y248-K252 PolarHBondContact O-N 3.17Å; Y248-V253 HydrophobicContact CD1-CG2 3.95Å; Y248-V253 HydrophobicContact CE1-CG2 3.62Å
249R81.6Confident86.3Confident46 Ų4690 Ų9017%0.17444%0.436CS..Hα-helixtrans-60.2-36.3177.5-176.7174.6169.5-169.6-13.2112.8D221 L245 Q246 R258D221-R249 IonicContact OD2-NH1 3.09Å; D221-R249 PolarHBondContact OD2-NH1 3.14Å; D221-R249 VanDerWaalsContact OD2-NH1 3.09Å; D221-R249 IonicContact OD2-NH2 3.51Å; L245-R249 WeakPolarHBondContact O-CB 3.48Å; L245-R249 PolarHBondContact O-N 3.01Å; Q246-R249 PolarHBondContact O-N 3.23Å; Q246-R249 VanDerWaalsContact O-N 3.13Å; R249-R258 HydrophobicContact CG-CG 4.25Å; R249-R258 PolarHBondContact O-NE 3.41Å; R249-R258 PolarHBondContact O-NH2 3.4Å
250D84.6Confident86.2Confident101 Ų10191.7 Ų91.754%0.5444%0.441SS..Hα-helixtrans-79-28.8-179.5-63.9-19.5000112.9Q246 Y248Q246-D250 VanDerWaalsContact O-CG 3.23Å; Q246-D250 PolarHBondContact O-N 2.66Å; Y248-D250 VanDerWaalsContact C-N 3.29Å; Y248-D250 PolarHBondContact O-N 3.43Å
251T86.3Confident86.1Confident98 Ų9885.1 Ų85.160%0.60142%0.418SS*.Hα-helixtrans-107-30.3-170.5570000115.8K247 Y248K247-T251 HydrophobicContact CG-CG2 4.45Å; K247-T251 WeakPolarHBondContact O-CB 3.43Å; K247-T251 WeakPolarHBondContact O-CG2 3.38Å; K247-T251 PolarHBondContact O-N 3.29Å; K247-T251 VanDerWaalsContact O-N 3.15Å; K247-T251 PolarHBondContact O-OG1 2.88Å; Y248-T251 PolarHBondContact O-N 2.76Å
252K84.6Confident86.2Confident138 Ų13884 Ų8460%0.641%0.414SS*.THydrogen-bonded Turntrans-119.9-12.5-167.6-69.2-166.8177-1720115.6Y248Y248-K252 HydrophobicContact CD2-CB 4.06Å; Y248-K252 HydrophobicContact CD2-CD 3.84Å; Y248-K252 HydrophobicContact CD2-CG 4.33Å; Y248-K252 HydrophobicContact CE2-CB 3.89Å; Y248-K252 HydrophobicContact CE2-CD 3.76Å; Y248-K252 HydrophobicContact CE2-CG 4.39Å; Y248-K252 PolarHBondContact O-N 3.17Å
253V83.7Confident86.3Confident13 Ų1384.7 Ų84.78%0.07942%0.417CS..  trans-98.8134.4-171.9-176.20000110.1Y248 E257 R258 M261Y248-V253 HydrophobicContact CD1-CG2 3.95Å; Y248-V253 HydrophobicContact CE1-CG2 3.62Å; V253-E257 HydrophobicContact CG1-CB 3.52Å; V253-R258 HydrophobicContact CG1-CB 4.17Å; V253-R258 PolarHBondContact O-NH2 2.75Å; V253-M261 HydrophobicContact CG1-SD 4Å; V253-M261 HydrophobicContact CG2-SD 4.45Å
254S86.1Confident86.5Confident41 Ų4178.5 Ų78.529%0.28739%0.391SS..  trans-66158.2176.165.90000111.5T256 E257 R258S254-T256 VanDerWaalsContact C-N 3.33Å; S254-T256 PolarHBondContact O-N 3.1Å; S254-T256 PolarHBondContact OG-OG1 2.92Å; S254-E257 WeakPolarHBondContact CB-OE2 3.49Å; S254-E257 PolarHBondContact N-OE2 3.11Å; S254-E257 PolarHBondContact O-N 3.41Å; S254-E257 VanDerWaalsContact OG-CB 3.3Å; S254-E257 WeakPolarHBondContact OG-CB 3.5Å; S254-E257 WeakPolarHBondContact OG-CG 3.47Å; S254-E257 PolarHBondContact OG-N 2.86Å; S254-E257 PolarHBondContact OG-OE2 3.2Å; S254-R258 WeakPolarHBondContact O-CB 3.24Å; S254-R258 PolarHBondContact O-N 3.48Å
255P84.7Confident86.7Confident88 Ų8871.2 Ų71.257%0.57136%0.359SS*.Hα-helixtrans-55.4-45.1177.3-25.334.7000113.7R258 D259P255-R258 WeakPolarHBondContact O-CB 3.28Å; P255-R258 PolarHBondContact O-N 3.43Å; P255-D259 PolarHBondContact O-N 2.89Å
256T83Confident87Confident96 Ų9669 Ų6959%0.58935%0.347SS*.Hα-helixtrans-65.6-44.3-179.849.30000112.4S254 R258 D259 N260S254-T256 VanDerWaalsContact C-N 3.33Å; S254-T256 PolarHBondContact O-N 3.1Å; S254-T256 PolarHBondContact OG-OG1 2.92Å; T256-R258 VanDerWaalsContact C-N 3.29Å; T256-R258 PolarHBondContact O-N 2.87Å; T256-D259 PolarHBondContact O-N 3.24Å; T256-N260 PolarHBondContact O-N 2.91Å
257E84.8Confident87.5Confident106 Ų10665.2 Ų65.250%0.49533%0.33SS..Hα-helixtrans-63.2-37.3174.2-71.8166.315500111.7V253 S254 N260 M261V253-E257 HydrophobicContact CG1-CB 3.52Å; S254-E257 WeakPolarHBondContact CB-OE2 3.49Å; S254-E257 PolarHBondContact N-OE2 3.11Å; S254-E257 PolarHBondContact O-N 3.41Å; S254-E257 VanDerWaalsContact OG-CB 3.3Å; S254-E257 WeakPolarHBondContact OG-CB 3.5Å; S254-E257 WeakPolarHBondContact OG-CG 3.47Å; S254-E257 PolarHBondContact OG-N 2.86Å; S254-E257 PolarHBondContact OG-OE2 3.2Å; E257-N260 PolarHBondContact O-N 3.28Å; E257-M261 VanDerWaalsContact O-CG 3.25Å; E257-M261 WeakPolarHBondContact O-CG 3.39Å; E257-M261 PolarHBondContact O-N 2.93Å
258R84.2Confident87.8Confident64 Ų6458.4 Ų58.424%0.24230%0.3CS..Hα-helixtrans-62.7-44177.7-173.6-175.4-60.9101.58.5111.2R249 V253 S254 P255 T256 M261 V262R249-R258 HydrophobicContact CG-CG 4.25Å; R249-R258 PolarHBondContact O-NE 3.41Å; R249-R258 PolarHBondContact O-NH2 3.4Å; V253-R258 HydrophobicContact CG1-CB 4.17Å; V253-R258 PolarHBondContact O-NH2 2.75Å; S254-R258 WeakPolarHBondContact O-CB 3.24Å; S254-R258 PolarHBondContact O-N 3.48Å; P255-R258 WeakPolarHBondContact O-CB 3.28Å; P255-R258 PolarHBondContact O-N 3.43Å; T256-R258 VanDerWaalsContact C-N 3.29Å; T256-R258 PolarHBondContact O-N 2.87Å; R258-M261 PolarHBondContact O-N 3.48Å; R258-V262 VanDerWaalsContact O-CG2 3.3Å; R258-V262 WeakPolarHBondContact O-CG2 3.4Å; R258-V262 PolarHBondContact O-N 3.44Å
259D86.8Confident88.3Confident105 Ų10552.5 Ų52.556%0.56128%0.278SS*.Hα-helixtrans-66.6-40.4179-64.4-20.6000111.1P255 T256 M261 V262 F263P255-D259 PolarHBondContact O-N 2.89Å; T256-D259 PolarHBondContact O-N 3.24Å; D259-M261 PolarHBondContact O-N 3.24Å; D259-V262 PolarHBondContact O-N 2.9Å; D259-F263 PolarHBondContact O-N 2.65Å
260N87.8Confident88.8Confident59 Ų5953.6 Ų53.632%0.31628%0.282SS..Hα-helixtrans-60.9-43.9173-72.8-17.3000112.2Q129 T256 E257 F263 Q264Q129-N260 PolarHBondContact NE2-OD1 2.83Å; T256-N260 PolarHBondContact O-N 2.91Å; E257-N260 PolarHBondContact O-N 3.28Å; N260-F263 PolarHBondContact O-N 3.45Å; N260-Q264 WeakPolarHBondContact O-CG 3.39Å; N260-Q264 PolarHBondContact O-N 3.33Å
261M88.9Confident89.3Confident30 Ų3049.1 Ų49.115%0.14826%0.258CS..Hα-helixtrans-62.5-44.3176.1-72.1175.976.800111.5E212 V253 E257 R258 D259 F263 Q264 H265E212-M261 HydrophobicContact CG-CG 4.35Å; E212-M261 WeakPolarHBondContact OE2-CE 3.43Å; V253-M261 HydrophobicContact CG1-SD 4Å; V253-M261 HydrophobicContact CG2-SD 4.45Å; E257-M261 VanDerWaalsContact O-CG 3.25Å; E257-M261 WeakPolarHBondContact O-CG 3.39Å; E257-M261 PolarHBondContact O-N 2.93Å; R258-M261 PolarHBondContact O-N 3.48Å; D259-M261 PolarHBondContact O-N 3.24Å; M261-F263 VanDerWaalsContact C-N 3.32Å; M261-F263 PolarHBondContact O-N 2.77Å; M261-Q264 PolarHBondContact O-N 3.44Å; M261-H265 WeakPolarHBondContact O-CB 3.37Å; M261-H265 PolarHBondContact O-CD2 3.21Å; M261-H265 VanDerWaalsContact O-CD2 3.28Å; M261-H265 PolarHBondContact O-N 2.94Å
262V90.2Very high89.7Confident54 Ų5444.5 Ų44.533%0.32723%0.229SC..Hα-helixtrans-57.4-47.3176.5169.20000111R258 D259 H265 S266R258-V262 VanDerWaalsContact O-CG2 3.3Å; R258-V262 WeakPolarHBondContact O-CG2 3.4Å; R258-V262 PolarHBondContact O-N 3.44Å; D259-V262 PolarHBondContact O-N 2.9Å; V262-H265 PolarHBondContact O-N 3.25Å; V262-S266 WeakPolarHBondContact O-CB 3.32Å; V262-S266 PolarHBondContact O-N 3.47Å
263F92.5Very high90.1Very high26 Ų2638.4 Ų38.411%0.11420%0.203CC..Hα-helixtrans-59.6-49.2177.7174.8-103.3000111.3L132 H133 L136 D259 N260 M261 H265 S266 F267L132-F263 HydrophobicContact CB-CE1 3.74Å; L132-F263 HydrophobicContact CB-CZ 4.2Å; H133-F263 HydrophobicContact CB-CZ 4.41Å; H133-F263 AromaticContact CD2-CE1 3.82Å; H133-F263 AromaticContact CE1-CD2 3.96Å; H133-F263 AromaticContact CE1-CE1 3.77Å; H133-F263 AromaticContact CE1-CE2 3.64Å; H133-F263 AromaticContact CE1-CZ 3.55Å; H133-F263 AromaticContact CG-CE1 4Å; H133-F263 AromaticContact CG-CZ 3.73Å; H133-F263 AromaticContact ND1-CE1 3.99Å; H133-F263 AromaticContact ND1-CE2 3.69Å; H133-F263 AromaticContact ND1-CZ 3.44Å; H133-F263 WeakPolarHBondContact ND1-CZ 3.5Å; H133-F263 AromaticContact NE2-CD1 3.91Å; H133-F263 AromaticContact NE2-CE1 3.67Å; H133-F263 AromaticContact NE2-CZ 3.92Å; L136-F263 HydrophobicContact CD1-CE2 3.74Å; L136-F263 HydrophobicContact CD1-CZ 3.95Å; D259-F263 PolarHBondContact O-N 2.65Å; N260-F263 PolarHBondContact O-N 3.45Å; M261-F263 VanDerWaalsContact C-N 3.32Å; M261-F263 PolarHBondContact O-N 2.77Å; F263-H265 PolarHBondContact O-N 3.44Å; F263-S266 PolarHBondContact O-N 3.41Å; F263-S266 VanDerWaalsContact O-N 3.1Å; F263-S266 PolarHBondContact O-OG 2.95Å; F263-F267 PolarHBondContact O-N 3.27Å; F263-F267 VanDerWaalsContact O-N 3.16Å
264Q93Very high90.5Very high25 Ų2537.8 Ų37.812%0.11720%0.199CC..Hα-helixtrans-61.5-40.9178.1-72.3177.4-16.200112.6L132 E212 L213 N260 M261 S266 F267L132-Q264 HydrophobicContact CD1-CG 4.08Å; E212-Q264 HydrophobicContact CB-CB 3.83Å; L213-Q264 HydrophobicContact CD2-CB 4.11Å; L213-Q264 HydrophobicContact CD2-CG 4.48Å; L213-Q264 WeakPolarHBondContact CD2-O 3.41Å; N260-Q264 WeakPolarHBondContact O-CG 3.39Å; N260-Q264 PolarHBondContact O-N 3.33Å; M261-Q264 PolarHBondContact O-N 3.44Å; Q264-S266 PolarHBondContact O-N 3.32Å; Q264-F267 WeakPolarHBondContact O-CB 3.41Å; Q264-F267 PolarHBondContact O-N 3.38Å
265H93.7Very high90.9Very high0 Ų035.8 Ų35.80%019%0.186CC..Hα-helixtrans-63.8-32.1175.6-64.2168.3000112E212 A217 I218 H222 M261 V262 F263E212-H265 PolarHBondContact O-CD2 2.86Å; E212-H265 IonicContact OE2-CD2 4Å; E212-H265 IonicContact OE2-CE1 3.76Å; E212-H265 IonicContact OE2-NE2 3.61Å; E212-H265 PolarHBondContact OE2-NE2 3.41Å; A217-H265 VanDerWaalsContact CB-CE1 3.43Å; A217-H265 WeakPolarHBondContact CB-CE1 3.44Å; I218-H265 HydrophobicContact CG1-CB 4.07Å; H222-H265 PolarHBondContact CD2-O 2.87Å; M261-H265 WeakPolarHBondContact O-CB 3.37Å; M261-H265 PolarHBondContact O-CD2 3.21Å; M261-H265 VanDerWaalsContact O-CD2 3.28Å; M261-H265 PolarHBondContact O-N 2.94Å; V262-H265 PolarHBondContact O-N 3.25Å; F263-H265 PolarHBondContact O-N 3.44Å
266S93.2Very high91.3Very high2 Ų231.7 Ų31.71%0.01416%0.159CC..Hα-helixtrans-79.7-14.4178.480.90000114.7H222 V262 F263 Q264 P269 R270H222-S266 WeakPolarHBondContact NE2-CA 3.31Å; H222-S266 WeakPolarHBondContact NE2-CB 3.5Å; V262-S266 WeakPolarHBondContact O-CB 3.32Å; V262-S266 PolarHBondContact O-N 3.47Å; F263-S266 PolarHBondContact O-N 3.41Å; F263-S266 VanDerWaalsContact O-N 3.1Å; F263-S266 PolarHBondContact O-OG 2.95Å; Q264-S266 PolarHBondContact O-N 3.32Å; S266-P269 WeakPolarHBondContact O-CD 3.25Å; S266-R270 VanDerWaalsContact O-CB 3.3Å; S266-R270 WeakPolarHBondContact O-CB 3.49Å; S266-R270 VanDerWaalsContact O-CG 3.23Å; S266-R270 WeakPolarHBondContact O-CG 3.21Å; S266-R270 PolarHBondContact O-N 3.2Å; S266-R270 PolarHBondContact OG-NH1 3.14Å
267F95.5Very high91.6Very high3 Ų327.9 Ų27.91%0.01314%0.135CC..Hα-helixtrans-61.5-59.4-170.4175.9-99000113.2L132 L135 L136 L193 L213 F263 Q264 R270 I271L132-F267 HydrophobicContact CB-CD2 3.89Å; L132-F267 HydrophobicContact CB-CE2 4.03Å; L132-F267 HydrophobicContact CD2-CD1 3.69Å; L132-F267 HydrophobicContact CD2-CD2 3.62Å; L132-F267 HydrophobicContact CD2-CE1 3.56Å; L132-F267 HydrophobicContact CD2-CE2 3.49Å; L132-F267 VanDerWaalsContact CD2-CE2 3.49Å; L132-F267 HydrophobicContact CD2-CG 3.73Å; L132-F267 HydrophobicContact CD2-CZ 3.46Å; L132-F267 VanDerWaalsContact CD2-CZ 3.46Å; L132-F267 HydrophobicContact CG-CD2 4.26Å; L132-F267 HydrophobicContact CG-CE2 4.35Å; L135-F267 HydrophobicContact CB-CE2 3.99Å; L135-F267 HydrophobicContact CB-CZ 4.37Å; L135-F267 HydrophobicContact CD1-CE2 4.19Å; L135-F267 HydrophobicContact CD1-CZ 3.8Å; L136-F267 HydrophobicContact CD1-CD2 3.78Å; L136-F267 HydrophobicContact CD2-CD2 4.34Å; L136-F267 HydrophobicContact CG-CD2 3.83Å; L136-F267 HydrophobicContact CG-CE2 4.09Å; L193-F267 HydrophobicContact CD1-CE1 4.27Å; L193-F267 HydrophobicContact CD1-CZ 4.05Å; L213-F267 HydrophobicContact CD2-CB 3.91Å; L213-F267 HydrophobicContact CD2-CD1 3.97Å; L213-F267 HydrophobicContact CD2-CG 4.18Å; F263-F267 PolarHBondContact O-N 3.27Å; F263-F267 VanDerWaalsContact O-N 3.16Å; Q264-F267 WeakPolarHBondContact O-CB 3.41Å; Q264-F267 PolarHBondContact O-N 3.38Å; F267-R270 PolarHBondContact O-N 3.06Å; F267-I271 HydrophobicContact CE1-CG2 4.17Å; F267-I271 HydrophobicContact CZ-CB 4.49Å; F267-I271 HydrophobicContact CZ-CG2 4.32Å; F267-I271 WeakPolarHBondContact O-CG2 3.18Å; F267-I271 PolarHBondContact O-N 3.14Å
268I94.9Very high91.9Very high6 Ų622.9 Ų22.93%0.03111%0.112CC..Hα-helixtrans-58.9-50.3-177.8-61.2-65.5000111.1R270 I271 L272 L309 L319I268-R270 PolarHBondContact O-N 3.04Å; I268-I271 WeakPolarHBondContact O-CG2 3.04Å; I268-I271 PolarHBondContact O-N 3.45Å; I268-L272 HydrophobicContact CG2-CD1 3.91Å; I268-L272 HydrophobicContact CG2-CG 4.33Å; I268-L272 WeakPolarHBondContact O-CB 3.32Å; I268-L272 WeakPolarHBondContact O-CD1 3.22Å; I268-L272 WeakPolarHBondContact O-CG 3.47Å; I268-L272 PolarHBondContact O-N 3.41Å; I268-L272 VanDerWaalsContact O-N 3.09Å; I268-L309 HydrophobicContact CD1-CD1 4.29Å; I268-L319 HydrophobicContact CG2-CD2 4.35Å
269P94Very high92.2Very high2 Ų220 Ų201%0.01310%0.102CC..Hα-helixtrans-55.5-44.8176.1-2735.3000114I218 H222 S266 D273 V322I218-P269 HydrophobicContact CG2-CG 3.93Å; H222-P269 HydrophobicContact CB-CB 3.93Å; H222-P269 HydrophobicContact CB-CG 3.59Å; S266-P269 WeakPolarHBondContact O-CD 3.25Å; P269-D273 PolarHBondContact O-N 3.11Å; P269-V322 HydrophobicContact CG-CG1 4.16Å
270R93.1Very high92.3Very high68 Ų6817.5 Ų17.526%0.2579%0.088SC..Hα-helixtrans-70.7-42.4-177.1-73.6176.1173.2178.6-2.8112.7L136 S266 F267 I268 L272 D273 V274 N478L136-R270 HydrophobicContact CD1-CB 4.46Å; L136-R270 HydrophobicContact CD2-CB 3.83Å; S266-R270 VanDerWaalsContact O-CB 3.3Å; S266-R270 WeakPolarHBondContact O-CB 3.49Å; S266-R270 VanDerWaalsContact O-CG 3.23Å; S266-R270 WeakPolarHBondContact O-CG 3.21Å; S266-R270 PolarHBondContact O-N 3.2Å; S266-R270 PolarHBondContact OG-NH1 3.14Å; F267-R270 PolarHBondContact O-N 3.06Å; I268-R270 PolarHBondContact O-N 3.04Å; R270-L272 VanDerWaalsContact C-N 3.28Å; R270-L272 PolarHBondContact O-N 2.96Å; R270-D273 WeakPolarHBondContact O-CB 3.23Å; R270-D273 PolarHBondContact O-N 3.35Å; R270-D273 VanDerWaalsContact O-N 3.16Å; R270-V274 WeakPolarHBondContact O-CG2 3.42Å; R270-V274 PolarHBondContact O-N 3.08Å; R270-V274 VanDerWaalsContact O-N 3.1Å; R270-N478 PolarHBondContact NH2-OD1 3.02Å
271I94.4Very high92.1Very high8 Ų815.9 Ų15.94%0.0418%0.081CC..Hα-helixtrans-69.6-29.1-179.9-161.770.2000111.6L135 L136 F267 I268 V274 F275 F302L135-I271 HydrophobicContact CB-CD1 4.41Å; L136-I271 HydrophobicContact CD2-CB 4.05Å; L136-I271 HydrophobicContact CD2-CD1 4.04Å; F267-I271 HydrophobicContact CE1-CG2 4.17Å; F267-I271 HydrophobicContact CZ-CB 4.49Å; F267-I271 HydrophobicContact CZ-CG2 4.32Å; F267-I271 WeakPolarHBondContact O-CG2 3.18Å; F267-I271 PolarHBondContact O-N 3.14Å; I268-I271 WeakPolarHBondContact O-CG2 3.04Å; I268-I271 PolarHBondContact O-N 3.45Å; I271-V274 HydrophobicContact CD1-CB 4.45Å; I271-V274 PolarHBondContact O-N 2.91Å; I271-F275 WeakPolarHBondContact O-CB 3.48Å; I271-F275 PolarHBondContact O-N 3.38Å; I271-F302 HydrophobicContact CB-CE2 4.47Å; I271-F302 HydrophobicContact CG1-CE2 3.7Å; I271-F302 HydrophobicContact CG1-CZ 4.28Å; I271-F302 HydrophobicContact CG2-CE2 4.08Å; I271-F302 HydrophobicContact CG2-CZ 4.05Å
272L94.7Very high92Very high1 Ų115.1 Ų15.11%0.0058%0.078CC..Hα-helixtrans-62.3-42.7169.4-71171.3000111.8I268 R270 V274 F275 L276 F302 L306 V322 L323 R326 I328I268-L272 HydrophobicContact CG2-CD1 3.91Å; I268-L272 HydrophobicContact CG2-CG 4.33Å; I268-L272 WeakPolarHBondContact O-CB 3.32Å; I268-L272 WeakPolarHBondContact O-CD1 3.22Å; I268-L272 WeakPolarHBondContact O-CG 3.47Å; I268-L272 PolarHBondContact O-N 3.41Å; I268-L272 VanDerWaalsContact O-N 3.09Å; R270-L272 VanDerWaalsContact C-N 3.28Å; R270-L272 PolarHBondContact O-N 2.96Å; L272-V274 VanDerWaalsContact C-N 3.32Å; L272-V274 PolarHBondContact O-N 3.24Å; L272-F275 PolarHBondContact O-N 3.29Å; L272-L276 WeakPolarHBondContact O-CB 3.31Å; L272-L276 WeakPolarHBondContact O-CG 3.49Å; L272-L276 PolarHBondContact O-N 3.14Å; L272-F302 HydrophobicContact CD2-CE1 3.9Å; L272-F302 HydrophobicContact CD2-CZ 4.04Å; L272-L306 HydrophobicContact CD2-CD1 3.98Å; L272-L306 HydrophobicContact CD2-CD2 3.88Å; L272-V322 HydrophobicContact CD1-CG1 4.3Å; L272-L323 HydrophobicContact CD1-CD2 3.63Å; L272-L323 HydrophobicContact CD2-CD2 3.72Å; L272-L323 HydrophobicContact CG-CD2 4.32Å; L272-R326 HydrophobicContact CD1-CG 4.29Å; L272-I328 HydrophobicContact CB-CD1 4.17Å; L272-I328 HydrophobicContact CD2-CD1 3.77Å; L272-I328 HydrophobicContact CD2-CG1 4.06Å; L272-I328 HydrophobicContact CG-CD1 4.38Å
273D92.5Very high91.5Very high9 Ų914.5 Ų14.55%0.0488%0.075CC..Hα-helixtrans-64.6-38.3177.9-63.5-27.3000111.2P269 R270 T277 R326 L480 L484P269-D273 PolarHBondContact O-N 3.11Å; R270-D273 WeakPolarHBondContact O-CB 3.23Å; R270-D273 PolarHBondContact O-N 3.35Å; R270-D273 VanDerWaalsContact O-N 3.16Å; D273-T277 WeakPolarHBondContact O-CB 3.36Å; D273-T277 PolarHBondContact O-N 3.36Å; D273-T277 PolarHBondContact O-OG1 3Å; D273-R326 VanDerWaalsContact OD1-CD 3.3Å; D273-R326 WeakPolarHBondContact OD1-CD 3.34Å; D273-R326 IonicContact OD1-NE 3.94Å; D273-R326 PolarHBondContact OD1-NE 3.03Å; D273-R326 IonicContact OD2-NE 3.74Å; D273-L480 HydrophobicContact CB-CB 4.26Å; D273-L484 HydrophobicContact CB-CD1 3.92Å
274V92.4Very high90.6Very high0 Ų019.2 Ų19.20%010%0.097CC..Hα-helixtrans-61.9-51172.1174.60000110.9L143 R270 I271 L272 L276 T277 L278 L477 L480L143-V274 HydrophobicContact CD2-CG1 4.46Å; R270-V274 WeakPolarHBondContact O-CG2 3.42Å; R270-V274 PolarHBondContact O-N 3.08Å; R270-V274 VanDerWaalsContact O-N 3.1Å; I271-V274 HydrophobicContact CD1-CB 4.45Å; I271-V274 PolarHBondContact O-N 2.91Å; L272-V274 VanDerWaalsContact C-N 3.32Å; L272-V274 PolarHBondContact O-N 3.24Å; V274-L276 PolarHBondContact O-N 2.63Å; V274-T277 PolarHBondContact O-N 2.91Å; V274-L278 HydrophobicContact CG1-CD1 4.15Å; V274-L278 WeakPolarHBondContact O-CG 3.2Å; V274-L278 PolarHBondContact O-N 3.22Å; V274-L477 HydrophobicContact CG2-CD2 3.76Å; V274-L480 HydrophobicContact CG2-CD1 3.93Å
275F94.9Very high89.4Confident0 Ų024.3 Ų24.30%012%0.119CC..Hα-helixtrans-56.4-49.4178.3166.8-96.1000112.1I271 L272 T277 L278 L279 L299 F302 I303 F346I271-F275 WeakPolarHBondContact O-CB 3.48Å; I271-F275 PolarHBondContact O-N 3.38Å; L272-F275 PolarHBondContact O-N 3.29Å; F275-T277 VanDerWaalsContact C-N 3.28Å; F275-T277 PolarHBondContact O-N 2.98Å; F275-L278 PolarHBondContact O-N 3.38Å; F275-L279 HydrophobicContact CE1-CD2 4.15Å; F275-L279 HydrophobicContact CZ-CD2 4.26Å; F275-L279 WeakPolarHBondContact O-CB 3.48Å; F275-L279 PolarHBondContact O-N 2.97Å; F275-L299 HydrophobicContact CD2-CD2 3.58Å; F275-L299 HydrophobicContact CE2-CB 4.14Å; F275-L299 HydrophobicContact CE2-CD2 3.37Å; F275-L299 HydrophobicContact CE2-CG 4.35Å; F275-L299 HydrophobicContact CZ-CD2 4.27Å; F275-F302 HydrophobicContact CB-CD1 3.79Å; F275-F302 HydrophobicContact CB-CE1 3.45Å; F275-F302 VanDerWaalsContact CB-CE1 3.45Å; F275-F302 HydrophobicContact CB-CE2 4.36Å; F275-F302 HydrophobicContact CB-CG 4.33Å; F275-F302 HydrophobicContact CB-CZ 3.77Å; F275-F302 AromaticContact CD1-CD1 3.96Å; F275-F302 HydrophobicContact CD1-CD1 3.96Å; F275-F302 AromaticContact CD1-CE1 3.84Å; F275-F302 HydrophobicContact CD1-CE1 3.84Å; F275-F302 HydrophobicContact CD2-CB 3.84Å; F275-F302 AromaticContact CD2-CD1 3.12Å; F275-F302 HydrophobicContact CD2-CD1 3.12Å; F275-F302 HydrophobicContact CD2-CD2 4.5Å; F275-F302 AromaticContact CD2-CE1 3.72Å; F275-F302 HydrophobicContact CD2-CE1 3.72Å; F275-F302 AromaticContact CD2-CG 3.57Å; F275-F302 HydrophobicContact CD2-CG 3.57Å; F275-F302 HydrophobicContact CE1-CD1 4.38Å; F275-F302 HydrophobicContact CE2-CB 4.06Å; F275-F302 AromaticContact CE2-CD1 3.61Å; F275-F302 HydrophobicContact CE2-CD1 3.61Å; F275-F302 HydrophobicContact CE2-CE1 4.45Å; F275-F302 HydrophobicContact CE2-CG 4.15Å; F275-F302 AromaticContact CG-CD1 3.32Å; F275-F302 HydrophobicContact CG-CD1 3.32Å; F275-F302 AromaticContact CG-CE1 3.37Å; F275-F302 HydrophobicContact CG-CE1 3.37Å; F275-F302 HydrophobicContact CG-CG 4.09Å; F275-F302 HydrophobicContact CG-CZ 4.2Å; F275-F302 HydrophobicContact CZ-CD1 4.24Å; F275-I303 HydrophobicContact CE1-CD1 4.07Å; F275-I303 HydrophobicContact CE2-CD1 4.25Å; F275-I303 HydrophobicContact CE2-CG1 4.29Å; F275-I303 HydrophobicContact CZ-CD1 3.52Å; F275-I303 HydrophobicContact CZ-CG1 3.94Å; F275-F346 HydrophobicContact CZ-CE2 4.35Å; F275-F346 HydrophobicContact CZ-CZ 4.4Å
276L92.7Very high88Confident2 Ų228.6 Ų28.61%0.0114%0.142CC..Hα-helixtrans-61.8-37.4178.7-76-178.8000111.9L272 V274 N280 I328 Y331 L484L272-L276 WeakPolarHBondContact O-CB 3.31Å; L272-L276 WeakPolarHBondContact O-CG 3.49Å; L272-L276 PolarHBondContact O-N 3.14Å; V274-L276 PolarHBondContact O-N 2.63Å; L276-N280 WeakPolarHBondContact O-CB 3.15Å; L276-N280 VanDerWaalsContact O-CG 3.29Å; L276-N280 PolarHBondContact O-N 2.82Å; L276-N280 PolarHBondContact O-ND2 3.15Å; L276-I328 HydrophobicContact CD1-CD1 3.72Å; L276-I328 HydrophobicContact CD2-CD1 3.82Å; L276-I328 HydrophobicContact CG-CD1 3.69Å; L276-Y331 HydrophobicContact CD1-CD2 4.13Å; L276-Y331 HydrophobicContact CD1-CE2 4.41Å; L276-Y331 VanDerWaalsContact CD2-CB 3.5Å; L276-Y331 HydrophobicContact CD2-CD2 4.02Å; L276-Y331 HydrophobicContact CD2-CG 3.78Å; L276-L484 HydrophobicContact CB-CD1 3.89Å; L276-L484 HydrophobicContact CB-CD2 3.93Å; L276-L484 HydrophobicContact CD1-CD1 4.15Å
277T90.5Very high86.5Confident15 Ų1537.1 Ų37.19%0.09218%0.182CC..Hα-helixtrans-65.8-40.8177.1-56.50000111.2L143 D273 V274 F275 N280 S281 L480L143-T277 HydrophobicContact CD2-CG2 3.64Å; D273-T277 WeakPolarHBondContact O-CB 3.36Å; D273-T277 PolarHBondContact O-N 3.36Å; D273-T277 PolarHBondContact O-OG1 3Å; V274-T277 PolarHBondContact O-N 2.91Å; F275-T277 VanDerWaalsContact C-N 3.28Å; F275-T277 PolarHBondContact O-N 2.98Å; T277-N280 PolarHBondContact O-N 3.22Å; T277-S281 PolarHBondContact O-N 3.35Å; T277-L480 HydrophobicContact CG2-CD2 4.14Å
278L90.2Very high84.8Confident2 Ų241.8 Ų41.81%0.0121%0.207CC..Hα-helixtrans-65.8-47175.2-70.2170.2000112.2I142 L143 V274 F275 N280 S281 L295 Y298 L299I142-L278 HydrophobicContact CG2-CD1 3.76Å; I142-L278 HydrophobicContact CG2-CD2 3.7Å; I142-L278 HydrophobicContact CG2-CG 4.39Å; L143-L278 HydrophobicContact CD2-CD2 3.78Å; L143-L278 HydrophobicContact CD2-CG 3.82Å; V274-L278 HydrophobicContact CG1-CD1 4.15Å; V274-L278 WeakPolarHBondContact O-CG 3.2Å; V274-L278 PolarHBondContact O-N 3.22Å; F275-L278 PolarHBondContact O-N 3.38Å; L278-N280 PolarHBondContact O-N 2.84Å; L278-S281 WeakPolarHBondContact O-CB 3.21Å; L278-S281 PolarHBondContact O-N 3.47Å; L278-S281 PolarHBondContact O-OG 3.01Å; L278-L295 HydrophobicContact CD2-CD1 4.44Å; L278-Y298 HydrophobicContact CD1-CD1 4.21Å; L278-Y298 HydrophobicContact CD1-CE1 3.52Å; L278-L299 HydrophobicContact CB-CD2 4.31Å
279L91.2Very high83.4Confident3 Ų348.5 Ų48.52%0.01624%0.236CC..Hα-helixtrans-57.7-40.4176.7-176.965.7000111.7F275 S281 I282 L299 F346F275-L279 HydrophobicContact CE1-CD2 4.15Å; F275-L279 HydrophobicContact CZ-CD2 4.26Å; F275-L279 WeakPolarHBondContact O-CB 3.48Å; F275-L279 PolarHBondContact O-N 2.97Å; L279-S281 PolarHBondContact O-N 3.16Å; L279-I282 HydrophobicContact CD1-CD1 4.46Å; L279-I282 PolarHBondContact O-N 3.23Å; L279-L299 HydrophobicContact CB-CD2 4.43Å; L279-L299 HydrophobicContact CD1-CD1 4.16Å; L279-F346 HydrophobicContact CD1-CE1 4.1Å; L279-F346 HydrophobicContact CD1-CE2 4.41Å; L279-F346 HydrophobicContact CD1-CZ 3.68Å; L279-F346 HydrophobicContact CD2-CZ 4.39Å
280N87.5Confident82.3Confident52 Ų5254 Ų5428%0.27827%0.271SS..THydrogen-bonded Turntrans-71.4-13177.3-85.6-57000114.6L276 T277 L278 I282 K487L276-N280 WeakPolarHBondContact O-CB 3.15Å; L276-N280 VanDerWaalsContact O-CG 3.29Å; L276-N280 PolarHBondContact O-N 2.82Å; L276-N280 PolarHBondContact O-ND2 3.15Å; T277-N280 PolarHBondContact O-N 3.22Å; L278-N280 PolarHBondContact O-N 2.84Å; N280-I282 VanDerWaalsContact C-N 3.31Å; N280-K487 PolarHBondContact OD1-NZ 2.8Å
281S84.6Confident81.6Confident25 Ų2551.9 Ų51.918%0.17527%0.265CS..THydrogen-bonded Turntrans-82.4-10.3176.975.60000113.1T277 L278 L279T277-S281 PolarHBondContact O-N 3.35Å; L278-S281 WeakPolarHBondContact O-CB 3.21Å; L278-S281 PolarHBondContact O-N 3.47Å; L278-S281 PolarHBondContact O-OG 3.01Å; L279-S281 PolarHBondContact O-N 3.16Å
282I86.7Confident81.2Confident14 Ų1454.5 Ų54.57%0.07228%0.277CS..SBendtrans-75.9126.4-179-63.5179.5000110.6L279 N280 I291 L299 A336 L337L279-I282 HydrophobicContact CD1-CD1 4.46Å; L279-I282 PolarHBondContact O-N 3.23Å; N280-I282 VanDerWaalsContact C-N 3.31Å; I282-I291 HydrophobicContact CG2-CD1 3.44Å; I282-I291 VanDerWaalsContact CG2-CD1 3.44Å; I282-I291 HydrophobicContact CG2-CG1 4.26Å; I282-L299 HydrophobicContact CD1-CD1 3.53Å; I282-A336 HydrophobicContact CB-CB 4.45Å; I282-A336 HydrophobicContact CG2-CB 3.97Å; I282-A336 WeakPolarHBondContact O-CB 3.29Å; I282-L337 HydrophobicContact CD1-CB 4.07Å; I282-L337 HydrophobicContact CD1-CD2 4.11Å; I282-L337 HydrophobicContact CD1-CG 4.47Å
283P79.5Confident80.8Confident41 Ų4158.8 Ų58.827%0.26631%0.305SS..  trans-73154.7177.130.7-35000112.7D288 K289 A336P283-D288 HydrophobicContact CB-CB 4.36Å; P283-K289 HydrophobicContact CG-CB 4.28Å; P283-A336 WeakPolarHBondContact O-CB 3.29Å
284E72.7Confident80.7Confident125 Ų12560.3 Ų60.358%0.58431%0.313SS*.SBendtrans-74.5-35.9-176.3-70.5-157.8133.500114.9A336 K339E284-A336 HydrophobicContact CG-CB 4.15Å; E284-K339 IonicContact OE1-NZ 3.26Å; E284-K339 PolarHBondContact OE1-NZ 3.04Å
285K69.2Low80.7Confident132 Ų13261 Ų6157%0.57432%0.316SS*.SBendtrans-104.5153.3-178.7-59.7-178.5176.2-177.50112.2D288 R340K285-D288 WeakPolarHBondContact CB-OD2 3.03Å; K285-R340 PolarHBondContact O-NH1 2.9Å
286D63.6Low80.5Confident91 Ų9161.7 Ų61.749%0.48732%0.32SS..SBendtrans-68.5-37.2177.3-150.43.1000113.2D288 R340D286-D288 VanDerWaalsContact C-N 3.27Å; D286-D288 PolarHBondContact O-N 3.32Å; D286-R340 VanDerWaalsContact CA-NH1 3.29Å; D286-R340 IonicContact OD1-CZ 3.53Å; D286-R340 IonicContact OD1-NH1 3.04Å; D286-R340 PolarHBondContact OD1-NH1 3.05Å; D286-R340 IonicContact OD1-NH2 2.67Å; D286-R340 PolarHBondContact OD1-NH2 3.42Å; D286-R340 IonicContact OD2-NH2 3.85Å
287E62.8Low80.6Confident181 Ų18163.1 Ų63.185%0.84633%0.326SS*.THydrogen-bonded Turntrans-66.3-25.5-178.7-62.2178.5172.800113.6
288D59.8Low80.8Confident100 Ų10062.4 Ų62.454%0.53532%0.322SS..THydrogen-bonded Turntrans-75.4-30-171.6-66.3-31.4000112.8P283 K285 D286P283-D288 HydrophobicContact CB-CB 4.36Å; K285-D288 WeakPolarHBondContact CB-OD2 3.03Å; D286-D288 VanDerWaalsContact C-N 3.27Å; D286-D288 PolarHBondContact O-N 3.32Å
289K64.5Low81.1Confident147 Ų14762.3 Ų62.364%0.63932%0.322SS*.  trans-179.5128.5175.3-103.8161-170.9-176.90110.9P283P283-K289 HydrophobicContact CG-CB 4.28Å
290P71Confident81.3Confident117 Ų11762.9 Ų62.976%0.7632%0.324SS*.PPolyproline II helixtrans-64.3136.717027.4-33.4000110.6
291I79Confident81.7Confident24 Ų2461.6 Ų61.612%0.12332%0.316CS..PPolyproline II helixtrans-81.4138.1179.5-55.1173.8000109.3I282 P293 I296 L337I282-I291 HydrophobicContact CG2-CD1 3.44Å; I282-I291 VanDerWaalsContact CG2-CD1 3.44Å; I282-I291 HydrophobicContact CG2-CG1 4.26Å; I291-P293 WeakPolarHBondContact O-CD 3.12Å; I291-I296 HydrophobicContact CB-CD1 4.24Å; I291-I296 HydrophobicContact CG2-CD1 3.98Å; I291-I296 HydrophobicContact CG2-CG1 3.7Å; I291-L337 HydrophobicContact CD1-CD1 4.29Å
292E84.1Confident82.3Confident63 Ų6360.6 Ų60.629%0.29431%0.308SS..PPolyproline II helixtrans-63.2121.7171.8-178.565.2-15600110.4K180 L294 L295 I296K180-E292 VanDerWaalsContact CE-CD 3.42Å; K180-E292 VanDerWaalsContact CE-OE1 3.3Å; K180-E292 WeakPolarHBondContact CE-OE1 3.45Å; K180-E292 WeakPolarHBondContact CE-OE2 3.25Å; K180-E292 IonicContact NZ-OE1 3.22Å; K180-E292 PolarHBondContact NZ-OE1 2.74Å; K180-E292 IonicContact NZ-OE2 3.5Å; K180-E292 PolarHBondContact NZ-OE2 3.49Å; E292-L294 HydrophobicContact CG-CB 4.08Å; E292-L294 PolarHBondContact O-N 3.26Å; E292-L294 VanDerWaalsContact O-N 3.16Å; E292-L295 HydrophobicContact CB-CB 4.27Å; E292-L295 WeakPolarHBondContact O-CB 3.4Å; E292-L295 PolarHBondContact O-N 2.71Å; E292-I296 PolarHBondContact O-N 3.27Å
293P88.1Confident82.8Confident91 Ų9160 Ų6059%0.59131%0.305SS*.Hα-helixtrans-58.7-32.5-178.2-26.935.4000113.9I291 L295 I296 H297I291-P293 WeakPolarHBondContact O-CD 3.12Å; P293-L295 VanDerWaalsContact C-N 3.29Å; P293-L295 PolarHBondContact O-N 2.79Å; P293-I296 PolarHBondContact O-N 3.41Å; P293-H297 PolarHBondContact O-N 3.42Å
294L89.9Confident83.6Confident42 Ų4258.7 Ų58.722%0.2230%0.296CS..Hα-helixtrans-64.1-33.1175.4-71.5172.4000112.8K180 I183 L184 E292 H297 Y298K180-L294 HydrophobicContact CB-CD1 4.12Å; K180-L294 HydrophobicContact CG-CD1 4.32Å; I183-L294 HydrophobicContact CG2-CB 3.99Å; I183-L294 WeakPolarHBondContact CG2-O 3.36Å; L184-L294 HydrophobicContact CD1-CD1 4.31Å; L184-L294 HydrophobicContact CD2-CD1 4.36Å; L184-L294 HydrophobicContact CD2-CD2 3.53Å; L184-L294 HydrophobicContact CG-CD1 4.06Å; L184-L294 HydrophobicContact CG-CD2 4.09Å; E292-L294 HydrophobicContact CG-CB 4.08Å; E292-L294 PolarHBondContact O-N 3.26Å; E292-L294 VanDerWaalsContact O-N 3.16Å; L294-H297 PolarHBondContact O-N 3.4Å; L294-Y298 WeakPolarHBondContact O-CB 3.36Å; L294-Y298 PolarHBondContact O-N 3.44Å
295L91.3Very high84.7Confident13 Ų1353.1 Ų53.17%0.06827%0.27CS..Hα-helixtrans-68.2-42.2176.2179.561.2000110.5L278 E292 P293 H297 Y298 L299L278-L295 HydrophobicContact CD2-CD1 4.44Å; E292-L295 HydrophobicContact CB-CB 4.27Å; E292-L295 WeakPolarHBondContact O-CB 3.4Å; E292-L295 PolarHBondContact O-N 2.71Å; P293-L295 VanDerWaalsContact C-N 3.29Å; P293-L295 PolarHBondContact O-N 2.79Å; L295-H297 VanDerWaalsContact C-N 3.33Å; L295-H297 PolarHBondContact O-N 2.72Å; L295-Y298 WeakPolarHBondContact O-CB 3.35Å; L295-Y298 PolarHBondContact O-N 2.9Å; L295-L299 HydrophobicContact CG-CD1 4.41Å; L295-L299 VanDerWaalsContact O-CG 3.3Å; L295-L299 WeakPolarHBondContact O-CG 3.06Å; L295-L299 PolarHBondContact O-N 2.73Å
296I92.7Very high86Confident16 Ų1647 Ų478%0.08224%0.243CC..Hα-helixtrans-59-48.9174.2-58.9177.1000109.5I291 E292 P293 Y298 L299 E300 L337 D342I291-I296 HydrophobicContact CB-CD1 4.24Å; I291-I296 HydrophobicContact CG2-CD1 3.98Å; I291-I296 HydrophobicContact CG2-CG1 3.7Å; E292-I296 PolarHBondContact O-N 3.27Å; P293-I296 PolarHBondContact O-N 3.41Å; I296-Y298 VanDerWaalsContact C-N 3.32Å; I296-Y298 PolarHBondContact O-N 3.14Å; I296-L299 PolarHBondContact O-N 3.01Å; I296-L299 VanDerWaalsContact O-N 3.08Å; I296-E300 HydrophobicContact CG2-CG 4.3Å; I296-E300 WeakPolarHBondContact O-CG 3.38Å; I296-E300 PolarHBondContact O-N 3.02Å; I296-L337 HydrophobicContact CD1-CD1 4.24Å; I296-L337 HydrophobicContact CG1-CD1 4.2Å; I296-L337 HydrophobicContact CG2-CD2 4.5Å; I296-D342 HydrophobicContact CD1-CB 3.86Å
297H93.2Very high87.5Confident31 Ų3142.9 Ų42.914%0.14422%0.221CC..Hα-helixtrans-59.9-40.6178.8-168.857.9000113I187 P293 L294 L295 E300 R301 E538I187-H297 HydrophobicContact CD1-CB 4.47Å; P293-H297 PolarHBondContact O-N 3.42Å; L294-H297 PolarHBondContact O-N 3.4Å; L295-H297 VanDerWaalsContact C-N 3.33Å; L295-H297 PolarHBondContact O-N 2.72Å; H297-E300 IonicContact ND1-OE2 3.43Å; H297-E300 PolarHBondContact O-N 3.31Å; H297-R301 PolarHBondContact CE1-NE 2.9Å; H297-R301 PolarHBondContact NE2-NE 3.44Å; H297-R301 VanDerWaalsContact NE2-NE 3.15Å; H297-R301 WeakPolarHBondContact O-CB 3.35Å; H297-R301 WeakPolarHBondContact O-CG 3.15Å; H297-R301 PolarHBondContact O-N 3.29Å; H297-E538 PolarHBondContact CE1-O 3.46Å; H297-E538 PolarHBondContact NE2-O 3.24Å
298Y94.8Very high89Confident0 Ų034.4 Ų34.40%018%0.182CC..Hα-helixtrans-59.3-46.5173.4170.1-90000111.9H186 I187 I190 L278 L294 L295 I296 R301 F302H186-Y298 HydrophobicContact CB-CD2 3.93Å; H186-Y298 HydrophobicContact CB-CE2 3.64Å; H186-Y298 AromaticContact ND1-CE2 3.91Å; I187-Y298 HydrophobicContact CG1-CD2 4.32Å; I190-Y298 HydrophobicContact CD1-CD2 3.82Å; I190-Y298 HydrophobicContact CD1-CE2 3.37Å; L278-Y298 HydrophobicContact CD1-CD1 4.21Å; L278-Y298 HydrophobicContact CD1-CE1 3.52Å; L294-Y298 WeakPolarHBondContact O-CB 3.36Å; L294-Y298 PolarHBondContact O-N 3.44Å; L295-Y298 WeakPolarHBondContact O-CB 3.35Å; L295-Y298 PolarHBondContact O-N 2.9Å; I296-Y298 VanDerWaalsContact C-N 3.32Å; I296-Y298 PolarHBondContact O-N 3.14Å; Y298-R301 PolarHBondContact O-N 2.9Å; Y298-F302 WeakPolarHBondContact O-CB 3.2Å; Y298-F302 PolarHBondContact O-N 2.82Å
299L96.3Very high90.6Very high0 Ų029.8 Ų29.80%016%0.157CC..Hα-helixtrans-64.5-42.1179.4-65.7172.2000111.6F275 L278 L279 I282 L295 I296 F302 I303 L337 F346F275-L299 HydrophobicContact CD2-CD2 3.58Å; F275-L299 HydrophobicContact CE2-CB 4.14Å; F275-L299 HydrophobicContact CE2-CD2 3.37Å; F275-L299 HydrophobicContact CE2-CG 4.35Å; F275-L299 HydrophobicContact CZ-CD2 4.27Å; L278-L299 HydrophobicContact CB-CD2 4.31Å; L279-L299 HydrophobicContact CB-CD2 4.43Å; L279-L299 HydrophobicContact CD1-CD1 4.16Å; I282-L299 HydrophobicContact CD1-CD1 3.53Å; L295-L299 HydrophobicContact CG-CD1 4.41Å; L295-L299 VanDerWaalsContact O-CG 3.3Å; L295-L299 WeakPolarHBondContact O-CG 3.06Å; L295-L299 PolarHBondContact O-N 2.73Å; I296-L299 PolarHBondContact O-N 3.01Å; I296-L299 VanDerWaalsContact O-N 3.08Å; L299-F302 PolarHBondContact O-N 3.42Å; L299-I303 WeakPolarHBondContact O-CG1 3.28Å; L299-I303 PolarHBondContact O-N 3.16Å; L299-L337 HydrophobicContact CD1-CD2 4.02Å; L299-F346 HydrophobicContact CB-CD2 4.22Å; L299-F346 HydrophobicContact CB-CE2 3.96Å
300E96.6Very high92Very high15 Ų1522.8 Ų22.87%0.0713%0.126CC..Hα-helixtrans-62.5-46175.4-69.2172165.100112.1I296 H297 F302 I303 L304 F346 L349 C540I296-E300 HydrophobicContact CG2-CG 4.3Å; I296-E300 WeakPolarHBondContact O-CG 3.38Å; I296-E300 PolarHBondContact O-N 3.02Å; H297-E300 IonicContact ND1-OE2 3.43Å; H297-E300 PolarHBondContact O-N 3.31Å; E300-F302 VanDerWaalsContact C-N 3.28Å; E300-F302 PolarHBondContact O-N 3.05Å; E300-I303 PolarHBondContact O-N 3.04Å; E300-L304 WeakPolarHBondContact O-CB 3.31Å; E300-L304 PolarHBondContact O-N 3.06Å; E300-F346 HydrophobicContact CG-CB 4.27Å; E300-F346 HydrophobicContact CG-CD2 4.37Å; E300-L349 HydrophobicContact CB-CD1 3.75Å; E300-L349 HydrophobicContact CG-CD1 4.03Å; E300-C540 HydrophobicContact CB-CB 4.23Å
301R95.5Very high93.1Very high26 Ų2617.6 Ų17.610%0.0989%0.093CC..Hα-helixtrans-62.4-37.6176.9-73.2-72.3-177.3-157.7-2.6111.8I187 I190 H297 Y298 L304 L305 E538 N539 C540I187-R301 HydrophobicContact CG2-CG 4.28Å; I190-R301 HydrophobicContact CG2-CB 4.07Å; I190-R301 WeakPolarHBondContact CG2-O 3.03Å; H297-R301 PolarHBondContact CE1-NE 2.9Å; H297-R301 PolarHBondContact NE2-NE 3.44Å; H297-R301 VanDerWaalsContact NE2-NE 3.15Å; H297-R301 WeakPolarHBondContact O-CB 3.35Å; H297-R301 WeakPolarHBondContact O-CG 3.15Å; H297-R301 PolarHBondContact O-N 3.29Å; Y298-R301 PolarHBondContact O-N 2.9Å; R301-L304 PolarHBondContact O-N 2.86Å; R301-L305 PolarHBondContact O-N 3.44Å; R301-E538 PolarHBondContact NH2-O 3.25Å; R301-N539 PolarHBondContact NH2-O 2.81Å; R301-C540 WeakPolarHBondContact CD-SG 3.43Å; R301-C540 PolarHBondContact NE-SG 3.29Å; R301-C540 VanDerWaalsContact NE-SG 3.44Å
302F97.3Very high93.5Very high4 Ų417.5 Ų17.52%0.0189%0.092CC..Hα-helixtrans-67.7-45.1177-168.3-90.7000111.8I190 I271 L272 F275 Y298 L299 E300 L304 L305 L306I190-F302 HydrophobicContact CD1-CB 4.44Å; I190-F302 HydrophobicContact CD1-CD2 4.01Å; I271-F302 HydrophobicContact CB-CE2 4.47Å; I271-F302 HydrophobicContact CG1-CE2 3.7Å; I271-F302 HydrophobicContact CG1-CZ 4.28Å; I271-F302 HydrophobicContact CG2-CE2 4.08Å; I271-F302 HydrophobicContact CG2-CZ 4.05Å; L272-F302 HydrophobicContact CD2-CE1 3.9Å; L272-F302 HydrophobicContact CD2-CZ 4.04Å; F275-F302 HydrophobicContact CB-CD1 3.79Å; F275-F302 HydrophobicContact CB-CE1 3.45Å; F275-F302 VanDerWaalsContact CB-CE1 3.45Å; F275-F302 HydrophobicContact CB-CE2 4.36Å; F275-F302 HydrophobicContact CB-CG 4.33Å; F275-F302 HydrophobicContact CB-CZ 3.77Å; F275-F302 AromaticContact CD1-CD1 3.96Å; F275-F302 HydrophobicContact CD1-CD1 3.96Å; F275-F302 AromaticContact CD1-CE1 3.84Å; F275-F302 HydrophobicContact CD1-CE1 3.84Å; F275-F302 HydrophobicContact CD2-CB 3.84Å; F275-F302 AromaticContact CD2-CD1 3.12Å; F275-F302 HydrophobicContact CD2-CD1 3.12Å; F275-F302 HydrophobicContact CD2-CD2 4.5Å; F275-F302 AromaticContact CD2-CE1 3.72Å; F275-F302 HydrophobicContact CD2-CE1 3.72Å; F275-F302 AromaticContact CD2-CG 3.57Å; F275-F302 HydrophobicContact CD2-CG 3.57Å; F275-F302 HydrophobicContact CE1-CD1 4.38Å; F275-F302 HydrophobicContact CE2-CB 4.06Å; F275-F302 AromaticContact CE2-CD1 3.61Å; F275-F302 HydrophobicContact CE2-CD1 3.61Å; F275-F302 HydrophobicContact CE2-CE1 4.45Å; F275-F302 HydrophobicContact CE2-CG 4.15Å; F275-F302 AromaticContact CG-CD1 3.32Å; F275-F302 HydrophobicContact CG-CD1 3.32Å; F275-F302 AromaticContact CG-CE1 3.37Å; F275-F302 HydrophobicContact CG-CE1 3.37Å; F275-F302 HydrophobicContact CG-CG 4.09Å; F275-F302 HydrophobicContact CG-CZ 4.2Å; F275-F302 HydrophobicContact CZ-CD1 4.24Å; Y298-F302 WeakPolarHBondContact O-CB 3.2Å; Y298-F302 PolarHBondContact O-N 2.82Å; L299-F302 PolarHBondContact O-N 3.42Å; E300-F302 VanDerWaalsContact C-N 3.28Å; E300-F302 PolarHBondContact O-N 3.05Å; F302-L304 VanDerWaalsContact C-N 3.29Å; F302-L304 PolarHBondContact O-N 3.32Å; F302-L305 WeakPolarHBondContact O-CB 3.46Å; F302-L305 PolarHBondContact O-N 3.31Å; F302-L305 VanDerWaalsContact O-N 3.16Å; F302-L306 HydrophobicContact CD1-CD1 4.2Å; F302-L306 HydrophobicContact CD1-CG 4.23Å; F302-L306 HydrophobicContact CE1-CD1 3.91Å; F302-L306 HydrophobicContact CE1-CD2 4.1Å; F302-L306 HydrophobicContact CE1-CG 4.05Å; F302-L306 HydrophobicContact CZ-CD2 4.43Å; F302-L306 WeakPolarHBondContact O-CG 3.34Å; F302-L306 PolarHBondContact O-N 3.03Å
303I97.4Very high93.7Very high0 Ų014.7 Ų14.70%08%0.079CC..Hα-helixtrans-60.3-41.2173.5-66.5-62.6000111F275 L299 E300 L305 L306 I307 F346 L349 V350 L353F275-I303 HydrophobicContact CE1-CD1 4.07Å; F275-I303 HydrophobicContact CE2-CD1 4.25Å; F275-I303 HydrophobicContact CE2-CG1 4.29Å; F275-I303 HydrophobicContact CZ-CD1 3.52Å; F275-I303 HydrophobicContact CZ-CG1 3.94Å; L299-I303 WeakPolarHBondContact O-CG1 3.28Å; L299-I303 PolarHBondContact O-N 3.16Å; E300-I303 PolarHBondContact O-N 3.04Å; I303-L305 VanDerWaalsContact C-N 3.3Å; I303-L305 PolarHBondContact O-N 3.25Å; I303-L306 HydrophobicContact CD1-CD1 4.32Å; I303-L306 WeakPolarHBondContact O-CA 3.35Å; I303-L306 WeakPolarHBondContact O-CB 3.26Å; I303-L306 PolarHBondContact O-N 3.31Å; I303-I307 HydrophobicContact CG2-CD1 3.98Å; I303-I307 HydrophobicContact CG2-CG1 4.31Å; I303-I307 WeakPolarHBondContact O-CG1 3.16Å; I303-I307 PolarHBondContact O-N 2.79Å; I303-F346 HydrophobicContact CD1-CE2 4.37Å; I303-F346 HydrophobicContact CG1-CD2 4.27Å; I303-F346 HydrophobicContact CG1-CE2 3.58Å; I303-F346 HydrophobicContact CG1-CZ 4.18Å; I303-L349 HydrophobicContact CB-CB 4.41Å; I303-L349 HydrophobicContact CG2-CB 3.68Å; I303-V350 HydrophobicContact CD1-CG2 4.45Å; I303-V350 HydrophobicContact CG1-CG2 4.45Å; I303-L353 HydrophobicContact CD1-CD2 3.98Å; I303-L353 HydrophobicContact CG2-CB 4.27Å; I303-L353 HydrophobicContact CG2-CD2 4.31Å
304L95.1Very high93.5Very high15 Ų1513.7 Ų13.78%0.0797%0.069CC..Hα-helixtrans-60.8-38.1176.1-173.563.1000112.6E300 R301 F302 I307 D308 L349E300-L304 WeakPolarHBondContact O-CB 3.31Å; E300-L304 PolarHBondContact O-N 3.06Å; R301-L304 PolarHBondContact O-N 2.86Å; F302-L304 VanDerWaalsContact C-N 3.29Å; F302-L304 PolarHBondContact O-N 3.32Å; L304-I307 HydrophobicContact CD1-CD1 4.47Å; L304-I307 WeakPolarHBondContact O-CB 3.44Å; L304-I307 PolarHBondContact O-N 3.22Å; L304-D308 PolarHBondContact O-N 2.9Å; L304-L349 HydrophobicContact CD1-CD2 4.26Å
305L96Very high93.5Very high7 Ų711.7 Ų11.74%0.0376%0.058CC..Hα-helixtrans-62.1-41.9171.8174.765.2000111.5I190 L193 F197 R301 F302 I303 D308 L309I190-L305 HydrophobicContact CG2-CB 4.11Å; I190-L305 HydrophobicContact CG2-CD2 4.2Å; L193-L305 HydrophobicContact CB-CD1 4.36Å; F197-L305 HydrophobicContact CD2-CD1 3.87Å; F197-L305 HydrophobicContact CE2-CD1 4.42Å; R301-L305 PolarHBondContact O-N 3.44Å; F302-L305 WeakPolarHBondContact O-CB 3.46Å; F302-L305 PolarHBondContact O-N 3.31Å; F302-L305 VanDerWaalsContact O-N 3.16Å; I303-L305 VanDerWaalsContact C-N 3.3Å; I303-L305 PolarHBondContact O-N 3.25Å; L305-D308 WeakPolarHBondContact O-CB 3.39Å; L305-D308 PolarHBondContact O-N 2.82Å; L305-L309 HydrophobicContact CG-CD1 4.43Å; L305-L309 WeakPolarHBondContact O-CG 3.23Å; L305-L309 PolarHBondContact O-N 2.94Å
306L97.3Very high93.6Very high3 Ų311.3 Ų11.32%0.0166%0.056CC..Hα-helixtrans-64.7-39.5175.9-60-173000112.1L272 F302 I303 D308 L309 E310 L323 I328 L353L272-L306 HydrophobicContact CD2-CD1 3.98Å; L272-L306 HydrophobicContact CD2-CD2 3.88Å; F302-L306 HydrophobicContact CD1-CD1 4.2Å; F302-L306 HydrophobicContact CD1-CG 4.23Å; F302-L306 HydrophobicContact CE1-CD1 3.91Å; F302-L306 HydrophobicContact CE1-CD2 4.1Å; F302-L306 HydrophobicContact CE1-CG 4.05Å; F302-L306 HydrophobicContact CZ-CD2 4.43Å; F302-L306 WeakPolarHBondContact O-CG 3.34Å; F302-L306 PolarHBondContact O-N 3.03Å; I303-L306 HydrophobicContact CD1-CD1 4.32Å; I303-L306 WeakPolarHBondContact O-CA 3.35Å; I303-L306 WeakPolarHBondContact O-CB 3.26Å; I303-L306 PolarHBondContact O-N 3.31Å; L306-D308 VanDerWaalsContact C-N 3.33Å; L306-D308 PolarHBondContact O-N 3.11Å; L306-L309 HydrophobicContact CD2-CD1 4.38Å; L306-L309 PolarHBondContact O-N 3.48Å; L306-E310 PolarHBondContact O-N 2.95Å; L306-L323 HydrophobicContact CD1-CD2 4.36Å; L306-L323 HydrophobicContact CD2-CD2 4.13Å; L306-I328 HydrophobicContact CD1-CG2 3.85Å; L306-L353 HydrophobicContact CB-CD1 3.79Å; L306-L353 HydrophobicContact CB-CD2 4.23Å; L306-L353 HydrophobicContact CD1-CD2 4.1Å
307I95.9Very high93.4Very high5 Ų514.3 Ų14.33%0.0267%0.066CC..Hα-helixtrans-59.1-46.6173.4-67.5166.8000110I303 L304 L309 E310 S311 L349 L352 L353 Y356I303-I307 HydrophobicContact CG2-CD1 3.98Å; I303-I307 HydrophobicContact CG2-CG1 4.31Å; I303-I307 WeakPolarHBondContact O-CG1 3.16Å; I303-I307 PolarHBondContact O-N 2.79Å; L304-I307 HydrophobicContact CD1-CD1 4.47Å; L304-I307 WeakPolarHBondContact O-CB 3.44Å; L304-I307 PolarHBondContact O-N 3.22Å; I307-L309 VanDerWaalsContact C-N 3.29Å; I307-L309 PolarHBondContact O-N 3.37Å; I307-E310 PolarHBondContact O-N 2.74Å; I307-S311 WeakPolarHBondContact O-CB 3.41Å; I307-S311 PolarHBondContact O-N 3.26Å; I307-S311 PolarHBondContact O-OG 3.16Å; I307-L349 HydrophobicContact CD1-CB 4.31Å; I307-L349 HydrophobicContact CD1-CD2 3.9Å; I307-L349 WeakPolarHBondContact CD1-O 3.27Å; I307-L352 HydrophobicContact CD1-CB 4.06Å; I307-L352 HydrophobicContact CD1-CD2 4.06Å; I307-L352 HydrophobicContact CD1-CG 4.11Å; I307-L352 HydrophobicContact CG2-CD2 4.14Å; I307-L352 HydrophobicContact CG2-CG 4.17Å; I307-L353 HydrophobicContact CD1-CB 4.48Å; I307-L353 HydrophobicContact CG1-CB 3.82Å; I307-L353 HydrophobicContact CG1-CD1 4.26Å; I307-Y356 HydrophobicContact CG2-CD2 3.89Å; I307-Y356 HydrophobicContact CG2-CE2 3.87Å
308D93.1Very high93.2Very high3 Ų313.7 Ų13.72%0.0166%0.064CC..Hα-helixtrans-58.1-43.5177.8-72.5-28.6000111.3S194 T198 L304 L305 L306 S311 M312 K545S194-D308 PolarHBondContact OG-OD2 3.39Å; T198-D308 HydrophobicContact CG2-CB 4.09Å; L304-D308 PolarHBondContact O-N 2.9Å; L305-D308 WeakPolarHBondContact O-CB 3.39Å; L305-D308 PolarHBondContact O-N 2.82Å; L306-D308 VanDerWaalsContact C-N 3.33Å; L306-D308 PolarHBondContact O-N 3.11Å; D308-S311 PolarHBondContact O-N 3.29Å; D308-S311 PolarHBondContact O-OG 2.78Å; D308-M312 WeakPolarHBondContact O-CE 3.48Å; D308-K545 WeakPolarHBondContact OD1-CD 3.47Å; D308-K545 VanDerWaalsContact OD1-CE 3.31Å; D308-K545 WeakPolarHBondContact OD1-CE 3.3Å; D308-K545 IonicContact OD1-NZ 3.02Å; D308-K545 PolarHBondContact OD1-NZ 3.44Å; D308-K545 IonicContact OD2-NZ 3.59Å; D308-K545 PolarHBondContact OD2-NZ 3.39Å
309L94.2Very high93.2Very high3 Ų313.8 Ų13.82%0.0166%0.064CC..Hα-helixtrans-66.2-41.2177.4-66.9172.2000113.1F197 I268 L305 L306 I307 T315 R316 L319F197-L309 HydrophobicContact CB-CD2 4.29Å; F197-L309 HydrophobicContact CD1-CD2 3.46Å; F197-L309 VanDerWaalsContact CD1-CD2 3.46Å; F197-L309 HydrophobicContact CD2-CD2 3.92Å; F197-L309 HydrophobicContact CE1-CD2 3.65Å; F197-L309 HydrophobicContact CE2-CD2 4.08Å; F197-L309 HydrophobicContact CG-CD2 3.63Å; F197-L309 HydrophobicContact CZ-CD2 3.96Å; I268-L309 HydrophobicContact CD1-CD1 4.29Å; L305-L309 HydrophobicContact CG-CD1 4.43Å; L305-L309 WeakPolarHBondContact O-CG 3.23Å; L305-L309 PolarHBondContact O-N 2.94Å; L306-L309 HydrophobicContact CD2-CD1 4.38Å; L306-L309 PolarHBondContact O-N 3.48Å; I307-L309 VanDerWaalsContact C-N 3.29Å; I307-L309 PolarHBondContact O-N 3.37Å; L309-T315 HydrophobicContact CD2-CG2 4.02Å; L309-T315 WeakPolarHBondContact O-CB 3.43Å; L309-T315 PolarHBondContact O-OG1 2.83Å; L309-R316 PolarHBondContact O-N 3.34Å; L309-L319 HydrophobicContact CB-CD1 4.34Å; L309-L319 HydrophobicContact CD1-CD1 4.11Å; L309-L319 HydrophobicContact CD2-CD1 4.12Å; L309-L319 HydrophobicContact CG-CD1 4.43Å
310E94.1Very high93.1Very high0 Ų014.4 Ų14.40%07%0.067CC..Hα-helixtrans-77.3-23.3179.6-73.6-62.2123.500112.8L306 I307 M312 R316 N320 L323 L353L306-E310 PolarHBondContact O-N 2.95Å; I307-E310 PolarHBondContact O-N 2.74Å; E310-M312 VanDerWaalsContact C-N 3.26Å; E310-M312 PolarHBondContact O-N 3.12Å; E310-R316 VanDerWaalsContact O-CD 3.3Å; E310-R316 WeakPolarHBondContact O-CD 3.48Å; E310-R316 WeakPolarHBondContact O-CG 3.47Å; E310-R316 VanDerWaalsContact OE2-CG 3.31Å; E310-R316 WeakPolarHBondContact OE2-CG 3.44Å; E310-R316 IonicContact OE2-NE 3.55Å; E310-N320 VanDerWaalsContact OE1-CA 3.3Å; E310-N320 WeakPolarHBondContact OE1-CA 3.47Å; E310-N320 PolarHBondContact OE1-N 3.01Å; E310-N320 WeakPolarHBondContact OE2-CB 3.37Å; E310-N320 PolarHBondContact OE2-OD1 3.27Å; E310-L323 HydrophobicContact CG-CD1 3.49Å; E310-L323 VanDerWaalsContact CG-CD1 3.49Å; E310-L323 VanDerWaalsContact OE1-CD1 3.29Å; E310-L323 WeakPolarHBondContact OE1-CD1 3.49Å; E310-L353 HydrophobicContact CG-CD1 4.09Å
311S92.4Very high93Very high8 Ų813.7 Ų13.76%0.0566%0.064CC..THydrogen-bonded Turntrans-77.7-6-179.877.60000114.4I307 D308 R559I307-S311 WeakPolarHBondContact O-CB 3.41Å; I307-S311 PolarHBondContact O-N 3.26Å; I307-S311 PolarHBondContact O-OG 3.16Å; D308-S311 PolarHBondContact O-N 3.29Å; D308-S311 PolarHBondContact O-OG 2.78Å; S311-R559 PolarHBondContact O-NH2 3.24Å
312M89.4Confident92.9Very high22 Ų2212.6 Ų12.611%0.1086%0.06CC..SBendtrans-119.1125.3-180-63.7-177-68.200110.8F197 L200 D308 E310 L314 T315 R316F197-M312 HydrophobicContact CB-CE 4.08Å; F197-M312 WeakPolarHBondContact O-CE 3.5Å; L200-M312 HydrophobicContact CD1-CE 4.32Å; D308-M312 WeakPolarHBondContact O-CE 3.48Å; E310-M312 VanDerWaalsContact C-N 3.26Å; E310-M312 PolarHBondContact O-N 3.12Å; M312-L314 PolarHBondContact O-N 2.66Å; M312-L314 VanDerWaalsContact O-N 3.15Å; M312-T315 HydrophobicContact CE-CG2 4.37Å; M312-T315 PolarHBondContact O-N 3.25Å; M312-T315 PolarHBondContact O-OG1 3.48Å; M312-T315 VanDerWaalsContact O-OG1 3.07Å; M312-R316 WeakPolarHBondContact O-CB 3.3Å; M312-R316 PolarHBondContact O-N 2.73Å
313L86.8Confident92.8Very high4 Ų412.9 Ų12.92%0.0216%0.062CC..Hα-helixtrans-59.3-34.8-174.7-175.262.3000113.3T315 R317 I361 L551 Y831L313-T315 PolarHBondContact O-N 2.82Å; L313-R317 HydrophobicContact CD1-CG 3.8Å; L313-R317 HydrophobicContact CG-CG 4.17Å; L313-R317 WeakPolarHBondContact O-CB 3.26Å; L313-R317 WeakPolarHBondContact O-CG 3.42Å; L313-R317 PolarHBondContact O-N 2.65Å; L313-R317 VanDerWaalsContact O-N 3.16Å; L313-I361 HydrophobicContact CD1-CD1 3.57Å; L313-L551 HydrophobicContact CB-CD2 4Å; L313-L551 HydrophobicContact CD1-CD2 4.41Å; L313-Y831 HydrophobicContact CB-CE1 3.9Å; L313-Y831 WeakPolarHBondContact CB-OH 3.42Å; L313-Y831 HydrophobicContact CD2-CD1 4.44Å; L313-Y831 HydrophobicContact CD2-CE1 3.71Å; L313-Y831 HydrophobicContact CD2-CE2 3.95Å; L313-Y831 VanDerWaalsContact CD2-CZ 3.42Å; L313-Y831 WeakPolarHBondContact CD2-OH 3.36Å; L313-Y831 HydrophobicContact CG-CE1 4.4Å
314L84.4Confident92.6Very high71 Ų7114.3 Ų14.337%0.3727%0.07SC..Hα-helixtrans-58.3-45.3-179.8-179.163.8000112.7Y214 M312Y214-L314 HydrophobicContact CD2-CG 4.25Å; Y214-L314 HydrophobicContact CE2-CD1 4.1Å; Y214-L314 HydrophobicContact CE2-CD2 3.92Å; Y214-L314 HydrophobicContact CE2-CG 3.78Å; M312-L314 PolarHBondContact O-N 2.66Å; M312-L314 VanDerWaalsContact O-N 3.15Å
315T90.6Very high92.4Very high0 Ų013.9 Ų13.90%07%0.067CC..Hα-helixtrans-85.2-43.7-179.840.30000111.1F197 L200 Y214 L309 M312 L313 R317 I318 L319F197-T315 HydrophobicContact CD1-CG2 4.39Å; L200-T315 HydrophobicContact CD1-CG2 4.11Å; Y214-T315 HydrophobicContact CD1-CG2 4.02Å; Y214-T315 HydrophobicContact CD2-CG2 4.47Å; Y214-T315 HydrophobicContact CG-CG2 3.92Å; L309-T315 HydrophobicContact CD2-CG2 4.02Å; L309-T315 WeakPolarHBondContact O-CB 3.43Å; L309-T315 PolarHBondContact O-OG1 2.83Å; M312-T315 HydrophobicContact CE-CG2 4.37Å; M312-T315 PolarHBondContact O-N 3.25Å; M312-T315 PolarHBondContact O-OG1 3.48Å; M312-T315 VanDerWaalsContact O-OG1 3.07Å; L313-T315 PolarHBondContact O-N 2.82Å; T315-R317 VanDerWaalsContact C-N 3.34Å; T315-R317 PolarHBondContact O-N 3.18Å; T315-I318 PolarHBondContact O-N 3.03Å; T315-L319 WeakPolarHBondContact O-CB 3.21Å; T315-L319 WeakPolarHBondContact O-CG 2.96Å; T315-L319 PolarHBondContact O-N 3.13Å
316R92.3Very high92.2Very high4 Ų414.2 Ų14.22%0.0157%0.068CC..Hα-helixtrans-53.5-44.8-179-167.9-165.6177.7-72-4.9113.2L309 E310 M312 I318 L319 N320 Y356 A357 E363L309-R316 PolarHBondContact O-N 3.34Å; E310-R316 VanDerWaalsContact O-CD 3.3Å; E310-R316 WeakPolarHBondContact O-CD 3.48Å; E310-R316 WeakPolarHBondContact O-CG 3.47Å; E310-R316 VanDerWaalsContact OE2-CG 3.31Å; E310-R316 WeakPolarHBondContact OE2-CG 3.44Å; E310-R316 IonicContact OE2-NE 3.55Å; M312-R316 WeakPolarHBondContact O-CB 3.3Å; M312-R316 PolarHBondContact O-N 2.73Å; R316-I318 PolarHBondContact O-N 2.83Å; R316-L319 PolarHBondContact O-N 3.3Å; R316-N320 HydrophobicContact CG-CB 4.27Å; R316-N320 VanDerWaalsContact O-CB 3.24Å; R316-N320 WeakPolarHBondContact O-CB 3.26Å; R316-N320 PolarHBondContact O-N 3.33Å; R316-Y356 PolarHBondContact NE-O 3.06Å; R316-Y356 VanDerWaalsContact NE-O 3.11Å; R316-Y356 PolarHBondContact NH2-O 2.58Å; R316-A357 PolarHBondContact NH2-O 2.74Å; R316-E363 IonicContact NH1-OE1 2.91Å
317R88.7Confident92Very high80 Ų8014.3 Ų14.330%0.3027%0.069SC..Hα-helixtrans-52.4-30.2-177.7-81.7177.6171.2169.5-0.6114.1L313 T315 E363 T365L313-R317 HydrophobicContact CD1-CG 3.8Å; L313-R317 HydrophobicContact CG-CG 4.17Å; L313-R317 WeakPolarHBondContact O-CB 3.26Å; L313-R317 WeakPolarHBondContact O-CG 3.42Å; L313-R317 PolarHBondContact O-N 2.65Å; L313-R317 VanDerWaalsContact O-N 3.16Å; T315-R317 VanDerWaalsContact C-N 3.34Å; T315-R317 PolarHBondContact O-N 3.18Å; R317-E363 WeakPolarHBondContact CG-O 3.44Å; R317-T365 PolarHBondContact NH2-O 3.04Å
318I90.1Very high92Very high17 Ų1714.1 Ų14.19%0.0877%0.068CC..Hα-helixtrans-106-42.9-178.7-58.2-55.9000111.1S215 L216 W219 T315 R316S215-I318 WeakPolarHBondContact O-CG2 3.32Å; L216-I318 HydrophobicContact CB-CD1 4.03Å; L216-I318 HydrophobicContact CD1-CD1 3.75Å; L216-I318 HydrophobicContact CG-CD1 4.48Å; W219-I318 HydrophobicContact CZ2-CD1 4.35Å; W219-I318 PolarHBondContact NE1-O 3.15Å; T315-I318 PolarHBondContact O-N 3.03Å; R316-I318 PolarHBondContact O-N 2.83Å
319L94.1Very high92Very high2 Ų214.5 Ų14.51%0.017%0.07CC..Hα-helixtrans-79.6-26.8-170.7-62.8-176000113.6I218 I268 L309 T315 R316 V321 V322 L323I218-L319 HydrophobicContact CD1-CD2 4.05Å; I268-L319 HydrophobicContact CG2-CD2 4.35Å; L309-L319 HydrophobicContact CB-CD1 4.34Å; L309-L319 HydrophobicContact CD1-CD1 4.11Å; L309-L319 HydrophobicContact CD2-CD1 4.12Å; L309-L319 HydrophobicContact CG-CD1 4.43Å; T315-L319 WeakPolarHBondContact O-CB 3.21Å; T315-L319 WeakPolarHBondContact O-CG 2.96Å; T315-L319 PolarHBondContact O-N 3.13Å; R316-L319 PolarHBondContact O-N 3.3Å; L319-V321 VanDerWaalsContact C-N 3.26Å; L319-V321 PolarHBondContact O-N 3.39Å; L319-V322 WeakPolarHBondContact O-CA 3.21Å; L319-V322 WeakPolarHBondContact O-CB 3.36Å; L319-V322 PolarHBondContact O-N 2.97Å; L319-L323 WeakPolarHBondContact O-CG 3.31Å; L319-L323 PolarHBondContact O-N 3.29Å
320N94.4Very high92Very high13 Ų1314.5 Ų14.57%0.077%0.07CC..Hα-helixtrans-57.7-41.6179.2-172.144.3000111.7E310 R316 V322 L323 D324 A357 E363E310-N320 VanDerWaalsContact OE1-CA 3.3Å; E310-N320 WeakPolarHBondContact OE1-CA 3.47Å; E310-N320 PolarHBondContact OE1-N 3.01Å; E310-N320 WeakPolarHBondContact OE2-CB 3.37Å; E310-N320 PolarHBondContact OE2-OD1 3.27Å; R316-N320 HydrophobicContact CG-CB 4.27Å; R316-N320 VanDerWaalsContact O-CB 3.24Å; R316-N320 WeakPolarHBondContact O-CB 3.26Å; R316-N320 PolarHBondContact O-N 3.33Å; N320-V322 VanDerWaalsContact C-N 3.27Å; N320-V322 PolarHBondContact O-N 3.14Å; N320-L323 PolarHBondContact O-N 3.07Å; N320-D324 WeakPolarHBondContact O-CB 3.48Å; N320-D324 PolarHBondContact O-N 3.37Å; N320-A357 PolarHBondContact ND2-O 3Å; N320-A357 PolarHBondContact OD1-O 3.47Å; N320-E363 PolarHBondContact ND2-OE1 3.05Å
321V93.2Very high91.9Very high1 Ų115 Ų151%0.0067%0.072CC..Hα-helixtrans-61.6-35.7176178.10000111.8W219 L223 E231 L319 D325W219-V321 HydrophobicContact CH2-CG2 4.14Å; W219-V321 HydrophobicContact CZ2-CB 3.94Å; W219-V321 HydrophobicContact CZ2-CG1 4.33Å; W219-V321 HydrophobicContact CZ2-CG2 3.58Å; L223-V321 HydrophobicContact CD1-CG1 3.83Å; L223-V321 HydrophobicContact CD2-CG1 4.05Å; E231-V321 HydrophobicContact CG-CG1 3.83Å; L319-V321 VanDerWaalsContact C-N 3.26Å; L319-V321 PolarHBondContact O-N 3.39Å; V321-D325 WeakPolarHBondContact O-CB 3.39Å; V321-D325 PolarHBondContact O-N 2.96Å
322V94.2Very high92.1Very high2 Ų214.7 Ų14.71%0.0127%0.07CC..Hα-helixtrans-73.3-40.7178.5-178.80000110.8I218 L223 P269 L272 L319 N320 D325 R326I218-V322 HydrophobicContact CG2-CG2 3.92Å; L223-V322 HydrophobicContact CD2-CG2 4.32Å; P269-V322 HydrophobicContact CG-CG1 4.16Å; L272-V322 HydrophobicContact CD1-CG1 4.3Å; L319-V322 WeakPolarHBondContact O-CA 3.21Å; L319-V322 WeakPolarHBondContact O-CB 3.36Å; L319-V322 PolarHBondContact O-N 2.97Å; N320-V322 VanDerWaalsContact C-N 3.27Å; N320-V322 PolarHBondContact O-N 3.14Å; V322-D325 PolarHBondContact O-N 3.48Å; V322-R326 WeakPolarHBondContact O-CG 3.45Å; V322-R326 PolarHBondContact O-N 3.14Å; V322-R326 VanDerWaalsContact O-N 3.15Å
323L95Very high92.2Very high10 Ų1017.4 Ų17.45%0.0528%0.082CC..Hα-helixtrans-65.2-39.3174.9-62.3-176.5000111.9L272 L306 E310 L319 N320 R326 H327 I328L272-L323 HydrophobicContact CD1-CD2 3.63Å; L272-L323 HydrophobicContact CD2-CD2 3.72Å; L272-L323 HydrophobicContact CG-CD2 4.32Å; L306-L323 HydrophobicContact CD1-CD2 4.36Å; L306-L323 HydrophobicContact CD2-CD2 4.13Å; E310-L323 HydrophobicContact CG-CD1 3.49Å; E310-L323 VanDerWaalsContact CG-CD1 3.49Å; E310-L323 VanDerWaalsContact OE1-CD1 3.29Å; E310-L323 WeakPolarHBondContact OE1-CD1 3.49Å; L319-L323 WeakPolarHBondContact O-CG 3.31Å; L319-L323 PolarHBondContact O-N 3.29Å; N320-L323 PolarHBondContact O-N 3.07Å; L323-R326 CarbonylContact O-C 3.57Å; L323-R326 PolarHBondContact O-N 3.43Å; L323-H327 PolarHBondContact O-N 2.98Å; L323-H327 VanDerWaalsContact O-N 3.11Å; L323-I328 HydrophobicContact CB-CG1 4.4Å; L323-I328 HydrophobicContact CD2-CG1 4.08Å; L323-I328 PolarHBondContact O-N 3.26Å; L323-I328 VanDerWaalsContact O-N 3.14Å
324D93.4Very high92.3Very high30 Ų3019.5 Ų19.516%0.169%0.091CC..Hα-helixtrans-68-42.7175.5-169.249.8000111.6R227 N320 R326 H327R227-D324 IonicContact CZ-OD2 3.22Å; R227-D324 IonicContact NH2-OD2 2.67Å; R227-D324 PolarHBondContact NH2-OD2 3.22Å; N320-D324 WeakPolarHBondContact O-CB 3.48Å; N320-D324 PolarHBondContact O-N 3.37Å; D324-R326 PolarHBondContact O-N 3.03Å; D324-H327 PolarHBondContact O-N 3.16Å
325D92Very high92.7Very high6 Ų616.6 Ų16.63%0.0328%0.077CC..Hα-helixtrans-60.8-27.4174.3-172.170.8000112.4L223 Q224 V321 V322 R481L223-D325 HydrophobicContact CD2-CB 3.58Å; Q224-D325 WeakPolarHBondContact CG-OD1 3.35Å; Q224-D325 PolarHBondContact N-OD1 3.41Å; Q224-D325 PolarHBondContact N-OD2 2.97Å; V321-D325 WeakPolarHBondContact O-CB 3.39Å; V321-D325 PolarHBondContact O-N 2.96Å; V322-D325 PolarHBondContact O-N 3.48Å; D325-R481 IonicContact OD2-NH2 3.78Å
326R90.9Very high92.6Very high14 Ų1417.1 Ų17.15%0.0538%0.081CC..THydrogen-bonded Turntrans-92.3-0174-67.1-67.5176.6-74.8-15.1113.8H222 L272 D273 V322 L323 D324 I328H222-R326 PolarHBondContact O-NH2 3.23Å; L272-R326 HydrophobicContact CD1-CG 4.29Å; D273-R326 VanDerWaalsContact OD1-CD 3.3Å; D273-R326 WeakPolarHBondContact OD1-CD 3.34Å; D273-R326 IonicContact OD1-NE 3.94Å; D273-R326 PolarHBondContact OD1-NE 3.03Å; D273-R326 IonicContact OD2-NE 3.74Å; V322-R326 WeakPolarHBondContact O-CG 3.45Å; V322-R326 PolarHBondContact O-N 3.14Å; V322-R326 VanDerWaalsContact O-N 3.15Å; L323-R326 CarbonylContact O-C 3.57Å; L323-R326 PolarHBondContact O-N 3.43Å; D324-R326 PolarHBondContact O-N 3.03Å; R326-I328 HydrophobicContact CB-CD1 3.85Å; R326-I328 HydrophobicContact CB-CG1 3.83Å; R326-I328 PolarHBondContact O-N 3.04Å; R326-I328 VanDerWaalsContact O-N 3.16Å
327H93.3Very high92.5Very high6 Ų616.9 Ų16.93%0.0288%0.08CC..THydrogen-bonded Turntrans51.134.4-179.2-56.9-77.8000113.5L323 D324 V329 V330 Y331 L435 F488 I497L323-H327 PolarHBondContact O-N 2.98Å; L323-H327 VanDerWaalsContact O-N 3.11Å; D324-H327 PolarHBondContact O-N 3.16Å; H327-V329 VanDerWaalsContact C-N 3.33Å; H327-V329 PolarHBondContact O-N 3.5Å; H327-V330 HydrophobicContact CB-CB 4.41Å; H327-V330 PolarHBondContact O-N 3.42Å; H327-V330 VanDerWaalsContact O-N 3.11Å; H327-Y331 HydrophobicContact CB-CD2 3.97Å; H327-Y331 HydrophobicContact CB-CE2 4.11Å; H327-Y331 WeakPolarHBondContact O-CD2 3.34Å; H327-Y331 PolarHBondContact O-N 2.92Å; H327-L435 PolarHBondContact CE1-O 2.96Å; H327-L435 PolarHBondContact NE2-O 3.22Å; H327-F488 AromaticContact CD2-CE1 3.71Å; H327-F488 AromaticContact CD2-CZ 3.51Å; H327-I497 HydrophobicContact CB-CG1 4.46Å; H327-I497 VanDerWaalsContact CE1-CG2 3.46Å; H327-I497 WeakPolarHBondContact CE1-CG2 3.24Å; H327-I497 WeakPolarHBondContact ND1-CG2 3.48Å
328I94.6Very high92.6Very high1 Ų115.1 Ų15.11%0.0058%0.076CC..Hα-helixtrans-55.7-47.6-168.9-66.1-63.9000111.7L272 L276 L306 L323 R326 V330 Y331 C332 L353L272-I328 HydrophobicContact CB-CD1 4.17Å; L272-I328 HydrophobicContact CD2-CD1 3.77Å; L272-I328 HydrophobicContact CD2-CG1 4.06Å; L272-I328 HydrophobicContact CG-CD1 4.38Å; L276-I328 HydrophobicContact CD1-CD1 3.72Å; L276-I328 HydrophobicContact CD2-CD1 3.82Å; L276-I328 HydrophobicContact CG-CD1 3.69Å; L306-I328 HydrophobicContact CD1-CG2 3.85Å; L323-I328 HydrophobicContact CB-CG1 4.4Å; L323-I328 HydrophobicContact CD2-CG1 4.08Å; L323-I328 PolarHBondContact O-N 3.26Å; L323-I328 VanDerWaalsContact O-N 3.14Å; R326-I328 HydrophobicContact CB-CD1 3.85Å; R326-I328 HydrophobicContact CB-CG1 3.83Å; R326-I328 PolarHBondContact O-N 3.04Å; R326-I328 VanDerWaalsContact O-N 3.16Å; I328-V330 VanDerWaalsContact C-N 3.34Å; I328-V330 PolarHBondContact O-N 3.48Å; I328-Y331 PolarHBondContact O-N 2.65Å; I328-C332 WeakPolarHBondContact O-CB 3.41Å; I328-C332 PolarHBondContact O-N 3.34Å; I328-C332 PolarHBondContact O-SG 3.03Å; I328-L353 HydrophobicContact CG2-CD2 4.12Å
329V94.8Very high92.4Very high11 Ų1120.5 Ų20.57%0.06710%0.099CC..Hα-helixtrans-60.5-44.7-179.2178.60000111H327 C332 Q333 L353 A354 A357H327-V329 VanDerWaalsContact C-N 3.33Å; H327-V329 PolarHBondContact O-N 3.5Å; V329-C332 PolarHBondContact O-N 2.93Å; V329-Q333 HydrophobicContact CG1-CG 4.31Å; V329-Q333 WeakPolarHBondContact O-CB 3.37Å; V329-Q333 WeakPolarHBondContact O-CG 3.28Å; V329-Q333 PolarHBondContact O-N 3.29Å; V329-L353 HydrophobicContact CG2-CG 4.43Å; V329-A354 HydrophobicContact CG1-CB 3.63Å; V329-A357 HydrophobicContact CG2-CB 4.12Å
330V93.7Very high92Very high3 Ų321 Ų212%0.01810%0.101CC..Hα-helixtrans-65.3-43.4-179.4-177.70000111.5H327 I328 C332 Q333 K334 L493 R496 I497 H500H327-V330 HydrophobicContact CB-CB 4.41Å; H327-V330 PolarHBondContact O-N 3.42Å; H327-V330 VanDerWaalsContact O-N 3.11Å; I328-V330 VanDerWaalsContact C-N 3.34Å; I328-V330 PolarHBondContact O-N 3.48Å; V330-C332 VanDerWaalsContact C-N 3.33Å; V330-C332 PolarHBondContact O-N 2.99Å; V330-Q333 PolarHBondContact O-N 2.93Å; V330-K334 WeakPolarHBondContact O-CB 3.2Å; V330-K334 PolarHBondContact O-N 3.07Å; V330-L493 HydrophobicContact CG1-CD1 4.09Å; V330-R496 HydrophobicContact CG1-CB 3.78Å; V330-I497 HydrophobicContact CB-CG1 4.46Å; V330-I497 HydrophobicContact CG1-CG1 3.98Å; V330-I497 HydrophobicContact CG2-CG1 4.49Å; V330-H500 HydrophobicContact CG2-CB 3.6Å; V330-H500 VanDerWaalsContact CG2-CG 3.41Å
331Y92.6Very high91.5Very high11 Ų1125.3 Ų25.34%0.04313%0.129CC..Hα-helixtrans-61.7-42.4175.8-88.4-71.6000111.7L276 H327 I328 K334 S335 L484 F488 L493L276-Y331 HydrophobicContact CD1-CD2 4.13Å; L276-Y331 HydrophobicContact CD1-CE2 4.41Å; L276-Y331 VanDerWaalsContact CD2-CB 3.5Å; L276-Y331 HydrophobicContact CD2-CD2 4.02Å; L276-Y331 HydrophobicContact CD2-CG 3.78Å; H327-Y331 HydrophobicContact CB-CD2 3.97Å; H327-Y331 HydrophobicContact CB-CE2 4.11Å; H327-Y331 WeakPolarHBondContact O-CD2 3.34Å; H327-Y331 PolarHBondContact O-N 2.92Å; I328-Y331 PolarHBondContact O-N 2.65Å; Y331-K334 PolarHBondContact O-N 3.01Å; Y331-S335 PolarHBondContact O-N 3.38Å; Y331-L484 PolarHBondContact OH-O 3.06Å; Y331-F488 HydrophobicContact CE2-CE1 4.35Å; Y331-F488 HydrophobicContact CE2-CZ 4.35Å; Y331-L493 HydrophobicContact CE1-CD1 4.44Å; Y331-L493 HydrophobicContact CE1-CD2 3.87Å
332C94.9Very high91Very high0 Ų029 Ų290%015%0.149CC..Hα-helixtrans-64.2-50.3177.6-65.40000111.8I328 V329 V330 K334 S335 I338 F346 V350I328-C332 WeakPolarHBondContact O-CB 3.41Å; I328-C332 PolarHBondContact O-N 3.34Å; I328-C332 PolarHBondContact O-SG 3.03Å; V329-C332 PolarHBondContact O-N 2.93Å; V330-C332 VanDerWaalsContact C-N 3.33Å; V330-C332 PolarHBondContact O-N 2.99Å; C332-K334 PolarHBondContact O-N 2.97Å; C332-S335 VanDerWaalsContact O-CB 3.23Å; C332-S335 WeakPolarHBondContact O-CB 3.21Å; C332-S335 PolarHBondContact O-N 2.96Å; C332-S335 PolarHBondContact O-OG 3.15Å; C332-I338 WeakPolarHBondContact O-CD1 3.42Å; C332-F346 HydrophobicContact CB-CE1 4.45Å; C332-F346 HydrophobicContact CB-CZ 4.36Å; C332-V350 HydrophobicContact CB-CB 4.27Å; C332-V350 HydrophobicContact CB-CG1 3.6Å; C332-V350 HydrophobicContact CB-CG2 3.56Å
333Q92.7Very high90.8Very high80 Ų8028.9 Ų28.937%0.37415%0.148SC..Hα-helixtrans-61.5-25.7178-73.3179.5-24.200113.7V329 V330 V350V329-Q333 HydrophobicContact CG1-CG 4.31Å; V329-Q333 WeakPolarHBondContact O-CB 3.37Å; V329-Q333 WeakPolarHBondContact O-CG 3.28Å; V329-Q333 PolarHBondContact O-N 3.29Å; V330-Q333 PolarHBondContact O-N 2.93Å; Q333-V350 HydrophobicContact CG-CG1 3.77Å
334K89.1Confident90.6Very high48 Ų4833.1 Ų33.121%0.20917%0.166CC..Hα-helixtrans-87.5-18.1175.4-174.7178.7176.4-170.90113.4V330 Y331 C332 D490 L493V330-K334 WeakPolarHBondContact O-CB 3.2Å; V330-K334 PolarHBondContact O-N 3.07Å; Y331-K334 PolarHBondContact O-N 3.01Å; C332-K334 PolarHBondContact O-N 2.97Å; K334-D490 IonicContact NZ-OD2 3.25Å; K334-D490 PolarHBondContact NZ-OD2 2.59Å; K334-L493 HydrophobicContact CD-CD1 3.95Å
335S91.5Very high90.6Very high10 Ų1032.3 Ų32.37%0.0716%0.162CC..  trans-54.5147.7-169.769.50000112.9Y331 C332 L337 I338Y331-S335 PolarHBondContact O-N 3.38Å; C332-S335 VanDerWaalsContact O-CB 3.23Å; C332-S335 WeakPolarHBondContact O-CB 3.21Å; C332-S335 PolarHBondContact O-N 2.96Å; C332-S335 PolarHBondContact O-OG 3.15Å; S335-L337 PolarHBondContact O-N 2.78Å; S335-I338 PolarHBondContact O-N 3.36Å
336A88.5Confident90.8Very high10 Ų1032 Ų328%0.08316%0.16CC..THydrogen-bonded Turntrans-57.9-33.4173.900000111.9I282 P283 E284 I338 K339I282-A336 HydrophobicContact CB-CB 4.45Å; I282-A336 HydrophobicContact CG2-CB 3.97Å; I282-A336 WeakPolarHBondContact O-CB 3.29Å; P283-A336 WeakPolarHBondContact O-CB 3.29Å; E284-A336 HydrophobicContact CG-CB 4.15Å; A336-I338 PolarHBondContact O-N 2.79Å; A336-K339 PolarHBondContact O-N 2.93Å; A336-K339 VanDerWaalsContact O-N 3.16Å
337L91.1Very high91Very high0 Ų032.8 Ų32.80%017%0.168CC..G310 helixtrans-58.7-43.3-177.4-175.156.3000112.7I282 I291 I296 L299 S335 K339 R340 G343 F346I282-L337 HydrophobicContact CD1-CB 4.07Å; I282-L337 HydrophobicContact CD1-CD2 4.11Å; I282-L337 HydrophobicContact CD1-CG 4.47Å; I291-L337 HydrophobicContact CD1-CD1 4.29Å; I296-L337 HydrophobicContact CD1-CD1 4.24Å; I296-L337 HydrophobicContact CG1-CD1 4.2Å; I296-L337 HydrophobicContact CG2-CD2 4.5Å; L299-L337 HydrophobicContact CD1-CD2 4.02Å; S335-L337 PolarHBondContact O-N 2.78Å; L337-K339 PolarHBondContact O-N 3.18Å; L337-R340 WeakPolarHBondContact O-CB 3.28Å; L337-R340 PolarHBondContact O-N 2.67Å; L337-G343 WeakPolarHBondContact O-CA 3.47Å; L337-F346 HydrophobicContact CB-CD1 4.32Å; L337-F346 HydrophobicContact CD2-CB 3.9Å; L337-F346 HydrophobicContact CD2-CD1 3.79Å; L337-F346 HydrophobicContact CD2-CD2 3.79Å; L337-F346 HydrophobicContact CD2-CE1 4.25Å; L337-F346 HydrophobicContact CD2-CE2 4.26Å; L337-F346 HydrophobicContact CD2-CG 3.53Å; L337-F346 HydrophobicContact CD2-CZ 4.48Å; L337-F346 HydrophobicContact CG-CB 4.23Å; L337-F346 HydrophobicContact CG-CD1 4.04Å; L337-F346 HydrophobicContact CG-CG 4.12Å
338I90.3Very high91Very high42 Ų4233.2 Ų33.222%0.21517%0.17CC..G310 helixtrans-61.5-30.3179.7-71.1-177.9000112.8C332 S335 A336 R340 F346 V350C332-I338 WeakPolarHBondContact O-CD1 3.42Å; S335-I338 PolarHBondContact O-N 3.36Å; A336-I338 PolarHBondContact O-N 2.79Å; I338-R340 PolarHBondContact O-N 2.85Å; I338-F346 HydrophobicContact CD1-CD1 4.4Å; I338-F346 HydrophobicContact CD1-CE1 4.36Å; I338-F346 HydrophobicContact CG1-CD1 3.75Å; I338-F346 HydrophobicContact CG1-CE1 4.04Å; I338-V350 HydrophobicContact CD1-CB 4.39Å; I338-V350 HydrophobicContact CD1-CG1 4.25Å
339K85.3Confident91.1Very high130 Ų13033.2 Ų33.257%0.56517%0.169SC*.G310 helixtrans-76.5-10.1179.9-58.6177.7-172.7171.10112.8E284 A336 L337E284-K339 IonicContact OE1-NZ 3.26Å; E284-K339 PolarHBondContact OE1-NZ 3.04Å; A336-K339 PolarHBondContact O-N 2.93Å; A336-K339 VanDerWaalsContact O-N 3.16Å; L337-K339 PolarHBondContact O-N 3.18Å
340R86.3Confident91.2Very high14 Ų1432.7 Ų32.75%0.05317%0.166CC..SBendtrans-97.3149.9-176.6-64.3175.558.798.17.8110.9K285 D286 L337 I338 D342 G343K285-R340 PolarHBondContact O-NH1 2.9Å; D286-R340 VanDerWaalsContact CA-NH1 3.29Å; D286-R340 IonicContact OD1-CZ 3.53Å; D286-R340 IonicContact OD1-NH1 3.04Å; D286-R340 PolarHBondContact OD1-NH1 3.05Å; D286-R340 IonicContact OD1-NH2 2.67Å; D286-R340 PolarHBondContact OD1-NH2 3.42Å; D286-R340 IonicContact OD2-NH2 3.85Å; L337-R340 WeakPolarHBondContact O-CB 3.28Å; L337-R340 PolarHBondContact O-N 2.67Å; I338-R340 PolarHBondContact O-N 2.85Å; R340-D342 IonicContact CZ-OD2 2.81Å; R340-D342 IonicContact NE-OD2 2.77Å; R340-D342 PolarHBondContact NE-OD2 2.89Å; R340-D342 IonicContact NH2-OD2 3.9Å; R340-D342 PolarHBondContact NH2-OD2 3.17Å; R340-D342 PolarHBondContact O-N 3.06Å; R340-G343 PolarHBondContact O-N 3.36Å
341P83.1Confident91.2Very high103 Ų10336.6 Ų36.667%0.66919%0.187SC*.G310 helixtrans-58.8-36.6174.325-34000112G343 K344P341-G343 PolarHBondContact O-N 3.2Å; P341-K344 PolarHBondContact O-N 3.32Å
342D84.5Confident91.2Very high78 Ų7837.5 Ų37.542%0.41719%0.193SC..G310 helixtrans-63.8-20.2177.5-46.8-42.7000113.3I296 R340I296-D342 HydrophobicContact CD1-CB 3.86Å; R340-D342 IonicContact CZ-OD2 2.81Å; R340-D342 IonicContact NE-OD2 2.77Å; R340-D342 PolarHBondContact NE-OD2 2.89Å; R340-D342 IonicContact NH2-OD2 3.9Å; R340-D342 PolarHBondContact NH2-OD2 3.17Å; R340-D342 PolarHBondContact O-N 3.06Å
343G89.7Confident91.3Very high0 Ų037.5 Ų37.50%019%0.193CC..G310 helixtrans-94.310.6-177.600000114.8L337 R340 P341 L345 F346 S347L337-G343 WeakPolarHBondContact O-CA 3.47Å; R340-G343 PolarHBondContact O-N 3.36Å; P341-G343 PolarHBondContact O-N 3.2Å; G343-L345 PolarHBondContact O-N 2.94Å; G343-F346 PolarHBondContact O-N 3.27Å; G343-S347 PolarHBondContact O-N 3.23Å
344K91.3Very high91.4Very high98 Ų9834.2 Ų34.243%0.42618%0.179SC..Hα-helixtrans-54.5-52.6-179.8-175.2-174.1174.9-161.30111.6P341 F346 S347 E348 D526P341-K344 PolarHBondContact O-N 3.32Å; K344-F346 PolarHBondContact O-N 3.35Å; K344-S347 WeakPolarHBondContact O-CB 3.3Å; K344-S347 PolarHBondContact O-N 3.02Å; K344-E348 WeakPolarHBondContact O-CG 3.22Å; K344-E348 PolarHBondContact O-N 3.27Å; K344-E348 VanDerWaalsContact O-N 3.11Å; K344-D526 IonicContact NZ-OD1 3.9Å; K344-D526 PolarHBondContact NZ-OD1 3.18Å; K344-D526 IonicContact NZ-OD2 3.86Å; K344-D526 PolarHBondContact NZ-OD2 3.03Å
345L92.6Very high91.5Very high14 Ų1433.6 Ų33.67%0.07318%0.176CC..Hα-helixtrans-64.7-40.6179.717659.6000111.7G343 S347 E348 L349 N528 C540 A542G343-L345 PolarHBondContact O-N 2.94Å; L345-S347 VanDerWaalsContact C-N 3.3Å; L345-S347 PolarHBondContact O-N 2.88Å; L345-E348 PolarHBondContact O-N 2.99Å; L345-L349 HydrophobicContact CD1-CD1 4.37Å; L345-L349 HydrophobicContact CD1-CG 4.28Å; L345-L349 HydrophobicContact CG-CD1 4.15Å; L345-L349 WeakPolarHBondContact O-CG 3.4Å; L345-L349 PolarHBondContact O-N 3.33Å; L345-N528 HydrophobicContact CD1-CB 4.35Å; L345-C540 HydrophobicContact CD2-CB 4Å; L345-C540 WeakPolarHBondContact CD2-O 3.49Å; L345-A542 HydrophobicContact CD1-CB 4.19Å
346F95.7Very high91.6Very high0 Ų033.2 Ų33.20%017%0.174CC..Hα-helixtrans-58.2-42.6173.6-177.6-94.4000111.7F275 L279 L299 E300 I303 C332 L337 I338 G343 K344 E348 L349 V350F275-F346 HydrophobicContact CZ-CE2 4.35Å; F275-F346 HydrophobicContact CZ-CZ 4.4Å; L279-F346 HydrophobicContact CD1-CE1 4.1Å; L279-F346 HydrophobicContact CD1-CE2 4.41Å; L279-F346 HydrophobicContact CD1-CZ 3.68Å; L279-F346 HydrophobicContact CD2-CZ 4.39Å; L299-F346 HydrophobicContact CB-CD2 4.22Å; L299-F346 HydrophobicContact CB-CE2 3.96Å; E300-F346 HydrophobicContact CG-CB 4.27Å; E300-F346 HydrophobicContact CG-CD2 4.37Å; I303-F346 HydrophobicContact CD1-CE2 4.37Å; I303-F346 HydrophobicContact CG1-CD2 4.27Å; I303-F346 HydrophobicContact CG1-CE2 3.58Å; I303-F346 HydrophobicContact CG1-CZ 4.18Å; C332-F346 HydrophobicContact CB-CE1 4.45Å; C332-F346 HydrophobicContact CB-CZ 4.36Å; L337-F346 HydrophobicContact CB-CD1 4.32Å; L337-F346 HydrophobicContact CD2-CB 3.9Å; L337-F346 HydrophobicContact CD2-CD1 3.79Å; L337-F346 HydrophobicContact CD2-CD2 3.79Å; L337-F346 HydrophobicContact CD2-CE1 4.25Å; L337-F346 HydrophobicContact CD2-CE2 4.26Å; L337-F346 HydrophobicContact CD2-CG 3.53Å; L337-F346 HydrophobicContact CD2-CZ 4.48Å; L337-F346 HydrophobicContact CG-CB 4.23Å; L337-F346 HydrophobicContact CG-CD1 4.04Å; L337-F346 HydrophobicContact CG-CG 4.12Å; I338-F346 HydrophobicContact CD1-CD1 4.4Å; I338-F346 HydrophobicContact CD1-CE1 4.36Å; I338-F346 HydrophobicContact CG1-CD1 3.75Å; I338-F346 HydrophobicContact CG1-CE1 4.04Å; G343-F346 PolarHBondContact O-N 3.27Å; K344-F346 PolarHBondContact O-N 3.35Å; F346-E348 PolarHBondContact O-N 3.07Å; F346-L349 PolarHBondContact O-N 3.27Å; F346-V350 HydrophobicContact CD1-CG2 3.96Å; F346-V350 HydrophobicContact CE1-CG2 3.59Å; F346-V350 HydrophobicContact CE2-CG2 4.34Å; F346-V350 HydrophobicContact CG-CG2 4.48Å; F346-V350 HydrophobicContact CZ-CG2 3.8Å; F346-V350 WeakPolarHBondContact O-CB 3.36Å; F346-V350 WeakPolarHBondContact O-CG2 3.41Å; F346-V350 PolarHBondContact O-N 3.03Å
347S95Very high91.8Very high29 Ų2933 Ų3320%0.20317%0.172CC..Hα-helixtrans-59.3-47.2175.1-168.60000111.8G343 K344 L345 L349 V350 D351G343-S347 PolarHBondContact O-N 3.23Å; K344-S347 WeakPolarHBondContact O-CB 3.3Å; K344-S347 PolarHBondContact O-N 3.02Å; L345-S347 VanDerWaalsContact C-N 3.3Å; L345-S347 PolarHBondContact O-N 2.88Å; S347-L349 VanDerWaalsContact C-N 3.33Å; S347-L349 PolarHBondContact O-N 3.24Å; S347-V350 PolarHBondContact O-N 3.36Å; S347-V350 VanDerWaalsContact O-N 3.15Å; S347-D351 VanDerWaalsContact O-CG 3.32Å; S347-D351 PolarHBondContact O-N 2.84Å
348E93.7Very high91.8Very high16 Ų1634.6 Ų34.68%0.07518%0.179CC..Hα-helixtrans-62.8-39.6179.2-68.1179149.300112.6K344 L345 F346 D351 L352 N528 R529 A542K344-E348 WeakPolarHBondContact O-CG 3.22Å; K344-E348 PolarHBondContact O-N 3.27Å; K344-E348 VanDerWaalsContact O-N 3.11Å; L345-E348 PolarHBondContact O-N 2.99Å; F346-E348 PolarHBondContact O-N 3.07Å; E348-D351 PolarHBondContact O-N 2.73Å; E348-L352 PolarHBondContact O-N 3.49Å; E348-N528 WeakPolarHBondContact OE2-CB 3.26Å; E348-R529 IonicContact OE1-CZ 3.68Å; E348-R529 IonicContact OE1-NE 3.01Å; E348-R529 PolarHBondContact OE1-NE 3.17Å; E348-R529 IonicContact OE1-NH2 3.51Å; E348-R529 PolarHBondContact OE1-NH2 3.03Å; E348-A542 HydrophobicContact CB-CB 3.9Å
349L96.2Very high91.8Very high0 Ų033.4 Ų33.40%017%0.173CC..Hα-helixtrans-65.1-40.2173.9-71.8170.3000111.5E300 I303 L304 I307 L345 F346 S347 D351 L352 L353 C540 A542E300-L349 HydrophobicContact CB-CD1 3.75Å; E300-L349 HydrophobicContact CG-CD1 4.03Å; I303-L349 HydrophobicContact CB-CB 4.41Å; I303-L349 HydrophobicContact CG2-CB 3.68Å; L304-L349 HydrophobicContact CD1-CD2 4.26Å; I307-L349 HydrophobicContact CD1-CB 4.31Å; I307-L349 HydrophobicContact CD1-CD2 3.9Å; I307-L349 WeakPolarHBondContact CD1-O 3.27Å; L345-L349 HydrophobicContact CD1-CD1 4.37Å; L345-L349 HydrophobicContact CD1-CG 4.28Å; L345-L349 HydrophobicContact CG-CD1 4.15Å; L345-L349 WeakPolarHBondContact O-CG 3.4Å; L345-L349 PolarHBondContact O-N 3.33Å; F346-L349 PolarHBondContact O-N 3.27Å; S347-L349 VanDerWaalsContact C-N 3.33Å; S347-L349 PolarHBondContact O-N 3.24Å; L349-D351 VanDerWaalsContact C-N 3.34Å; L349-L352 PolarHBondContact O-N 3.31Å; L349-L353 PolarHBondContact O-N 3.15Å; L349-C540 HydrophobicContact CD1-CB 4.23Å; L349-A542 HydrophobicContact CD2-CB 3.84Å; L349-A542 HydrophobicContact CG-CB 4.16Å
350V96.6Very high91.9Very high0 Ų029.4 Ų29.40%016%0.156CC..Hα-helixtrans-66.4-37.8177.41700000111.4I303 C332 Q333 I338 F346 S347 L352 L353 A354I303-V350 HydrophobicContact CD1-CG2 4.45Å; I303-V350 HydrophobicContact CG1-CG2 4.45Å; C332-V350 HydrophobicContact CB-CB 4.27Å; C332-V350 HydrophobicContact CB-CG1 3.6Å; C332-V350 HydrophobicContact CB-CG2 3.56Å; Q333-V350 HydrophobicContact CG-CG1 3.77Å; I338-V350 HydrophobicContact CD1-CB 4.39Å; I338-V350 HydrophobicContact CD1-CG1 4.25Å; F346-V350 HydrophobicContact CD1-CG2 3.96Å; F346-V350 HydrophobicContact CE1-CG2 3.59Å; F346-V350 HydrophobicContact CE2-CG2 4.34Å; F346-V350 HydrophobicContact CG-CG2 4.48Å; F346-V350 HydrophobicContact CZ-CG2 3.8Å; F346-V350 WeakPolarHBondContact O-CB 3.36Å; F346-V350 WeakPolarHBondContact O-CG2 3.41Å; F346-V350 PolarHBondContact O-N 3.03Å; S347-V350 PolarHBondContact O-N 3.36Å; S347-V350 VanDerWaalsContact O-N 3.15Å; V350-L352 VanDerWaalsContact C-N 3.34Å; V350-L353 PolarHBondContact O-N 3.01Å; V350-A354 VanDerWaalsContact O-CB 3.32Å; V350-A354 WeakPolarHBondContact O-CB 3.08Å; V350-A354 PolarHBondContact O-N 2.89Å
351D93.6Very high91.9Very high86 Ų8629.2 Ų29.246%0.4616%0.156SC..Hα-helixtrans-63.6-41.4173.8-67.6-26.6000111S347 E348 L349 A354 F355S347-D351 VanDerWaalsContact O-CG 3.32Å; S347-D351 PolarHBondContact O-N 2.84Å; E348-D351 PolarHBondContact O-N 2.73Å; L349-D351 VanDerWaalsContact C-N 3.34Å; D351-A354 PolarHBondContact O-N 2.8Å; D351-F355 WeakPolarHBondContact O-CB 3.46Å; D351-F355 PolarHBondContact O-N 3.47Å
352L93.4Very high91.9Very high29 Ų2925.3 Ų25.315%0.15213%0.129CC..Hα-helixtrans-66.7-38.5175.3-17358.9000112.6I307 E348 L349 V350 F355 Y356I307-L352 HydrophobicContact CD1-CB 4.06Å; I307-L352 HydrophobicContact CD1-CD2 4.06Å; I307-L352 HydrophobicContact CD1-CG 4.11Å; I307-L352 HydrophobicContact CG2-CD2 4.14Å; I307-L352 HydrophobicContact CG2-CG 4.17Å; E348-L352 PolarHBondContact O-N 3.49Å; L349-L352 PolarHBondContact O-N 3.31Å; V350-L352 VanDerWaalsContact C-N 3.34Å; L352-F355 HydrophobicContact CD1-CD1 4.36Å; L352-F355 WeakPolarHBondContact O-CB 3.13Å; L352-F355 PolarHBondContact O-N 2.94Å; L352-Y356 HydrophobicContact CD1-CD2 4.18Å; L352-Y356 HydrophobicContact CD1-CE2 3.62Å; L352-Y356 HydrophobicContact CG-CD2 4.25Å; L352-Y356 HydrophobicContact CG-CE2 3.92Å; L352-Y356 VanDerWaalsContact O-CD2 3.26Å; L352-Y356 WeakPolarHBondContact O-CD2 3.47Å; L352-Y356 PolarHBondContact O-N 3.32Å
353L96.6Very high91.5Very high1 Ų123.6 Ų23.61%0.00512%0.119CC..Hα-helixtrans-64-45.3172.7177.362.6000111.1I303 L306 I307 E310 I328 V329 L349 V350 F355 Y356 A357I303-L353 HydrophobicContact CD1-CD2 3.98Å; I303-L353 HydrophobicContact CG2-CB 4.27Å; I303-L353 HydrophobicContact CG2-CD2 4.31Å; L306-L353 HydrophobicContact CB-CD1 3.79Å; L306-L353 HydrophobicContact CB-CD2 4.23Å; L306-L353 HydrophobicContact CD1-CD2 4.1Å; I307-L353 HydrophobicContact CD1-CB 4.48Å; I307-L353 HydrophobicContact CG1-CB 3.82Å; I307-L353 HydrophobicContact CG1-CD1 4.26Å; E310-L353 HydrophobicContact CG-CD1 4.09Å; I328-L353 HydrophobicContact CG2-CD2 4.12Å; V329-L353 HydrophobicContact CG2-CG 4.43Å; L349-L353 PolarHBondContact O-N 3.15Å; V350-L353 PolarHBondContact O-N 3.01Å; L353-F355 VanDerWaalsContact C-N 3.25Å; L353-F355 PolarHBondContact O-N 3.44Å; L353-Y356 PolarHBondContact O-N 3.1Å; L353-A357 WeakPolarHBondContact O-CB 3.5Å; L353-A357 PolarHBondContact O-N 3.49Å
354A94.6Very high90.8Very high11 Ų1125.2 Ų25.29%0.09113%0.13CC..Hα-helixtrans-59.3-40.3176.800000110.8V329 V350 D351 H358V329-A354 HydrophobicContact CG1-CB 3.63Å; V350-A354 VanDerWaalsContact O-CB 3.32Å; V350-A354 WeakPolarHBondContact O-CB 3.08Å; V350-A354 PolarHBondContact O-N 2.89Å; D351-A354 PolarHBondContact O-N 2.8Å; A354-H358 VanDerWaalsContact O-CB 3.3Å; A354-H358 WeakPolarHBondContact O-CB 3.34Å; A354-H358 PolarHBondContact O-N 3.38Å; A354-H358 VanDerWaalsContact O-N 3.11Å; A354-H358 PolarHBondContact O-ND1 3.23Å
355F92.5Very high90.2Very high34 Ų3424 Ų2415%0.14913%0.131CC..Hα-helixtrans-57.1-52.3174.9167.3-95.1000112.1D351 L352 L353 H358 F359 E508 L558D351-F355 WeakPolarHBondContact O-CB 3.46Å; D351-F355 PolarHBondContact O-N 3.47Å; L352-F355 HydrophobicContact CD1-CD1 4.36Å; L352-F355 WeakPolarHBondContact O-CB 3.13Å; L352-F355 PolarHBondContact O-N 2.94Å; L353-F355 VanDerWaalsContact C-N 3.25Å; L353-F355 PolarHBondContact O-N 3.44Å; F355-H358 CarbonylContact O-C 3.48Å; F355-H358 PolarHBondContact O-N 3.14Å; F355-F359 AromaticContact CE1-CD2 3.88Å; F355-F359 HydrophobicContact CE1-CD2 3.88Å; F355-F359 HydrophobicContact CE1-CE2 4.27Å; F355-F359 AromaticContact CE2-CD2 3.97Å; F355-F359 HydrophobicContact CE2-CD2 3.97Å; F355-F359 HydrophobicContact CE2-CE2 4.21Å; F355-F359 AromaticContact CZ-CD2 3.41Å; F355-F359 HydrophobicContact CZ-CD2 3.41Å; F355-F359 VanDerWaalsContact CZ-CD2 3.41Å; F355-F359 AromaticContact CZ-CE2 3.53Å; F355-F359 HydrophobicContact CZ-CE2 3.53Å; F355-F359 PolarHBondContact O-N 3.18Å; F355-E508 HydrophobicContact CD2-CG 4.32Å; F355-E508 HydrophobicContact CE2-CG 4.08Å; F355-L558 HydrophobicContact CE1-CD2 4.32Å; F355-L558 HydrophobicContact CE2-CD2 3.49Å; F355-L558 VanDerWaalsContact CE2-CD2 3.49Å; F355-L558 HydrophobicContact CZ-CD2 3.35Å
356Y94Very high89.5Confident3 Ų323.8 Ų23.81%0.01213%0.132CC..Hα-helixtrans-70.6-38.9-178-72.9-64.4000113.9I307 R316 L352 L353 H358 F359 L551 R559I307-Y356 HydrophobicContact CG2-CD2 3.89Å; I307-Y356 HydrophobicContact CG2-CE2 3.87Å; R316-Y356 PolarHBondContact NE-O 3.06Å; R316-Y356 VanDerWaalsContact NE-O 3.11Å; R316-Y356 PolarHBondContact NH2-O 2.58Å; L352-Y356 HydrophobicContact CD1-CD2 4.18Å; L352-Y356 HydrophobicContact CD1-CE2 3.62Å; L352-Y356 HydrophobicContact CG-CD2 4.25Å; L352-Y356 HydrophobicContact CG-CE2 3.92Å; L352-Y356 VanDerWaalsContact O-CD2 3.26Å; L352-Y356 WeakPolarHBondContact O-CD2 3.47Å; L352-Y356 PolarHBondContact O-N 3.32Å; L353-Y356 PolarHBondContact O-N 3.1Å; Y356-H358 PolarHBondContact O-N 3.12Å; Y356-F359 WeakPolarHBondContact O-CB 3.2Å; Y356-F359 PolarHBondContact O-N 2.88Å; Y356-L551 HydrophobicContact CD1-CD1 3.93Å; Y356-L551 HydrophobicContact CE1-CD1 4.49Å; Y356-R559 PolarHBondContact OH-NE 2.97Å
357A92.7Very high88.8Confident6 Ų629.1 Ų29.15%0.0516%0.157CC..Hα-helixtrans-59.6-33.8175.400000111.5R316 N320 V329 L353R316-A357 PolarHBondContact NH2-O 2.74Å; N320-A357 PolarHBondContact ND2-O 3Å; N320-A357 PolarHBondContact OD1-O 3.47Å; V329-A357 HydrophobicContact CG2-CB 4.12Å; L353-A357 WeakPolarHBondContact O-CB 3.5Å; L353-A357 PolarHBondContact O-N 3.49Å
358H90Very high88.2Confident32 Ų3231.2 Ų31.215%0.14817%0.17CC..Hα-helixtrans-100.91.9-177.5-63.4110.5000115.3A354 F355 Y356 H360 H500 R505A354-H358 VanDerWaalsContact O-CB 3.3Å; A354-H358 WeakPolarHBondContact O-CB 3.34Å; A354-H358 PolarHBondContact O-N 3.38Å; A354-H358 VanDerWaalsContact O-N 3.11Å; A354-H358 PolarHBondContact O-ND1 3.23Å; F355-H358 CarbonylContact O-C 3.48Å; F355-H358 PolarHBondContact O-N 3.14Å; Y356-H358 PolarHBondContact O-N 3.12Å; H358-H360 PolarHBondContact O-CD2 3.47Å; H358-H360 VanDerWaalsContact O-CD2 3.3Å; H358-H360 PolarHBondContact O-N 2.91Å; H358-H500 AromaticContact CE1-CE1 3.06Å; H358-H500 PolarHBondContact CE1-CE1 2.88Å; H358-H500 AromaticContact CE1-NE2 3.26Å; H358-H500 PolarHBondContact CE1-NE2 2.93Å; H358-H500 VanDerWaalsContact CE1-NE2 3.26Å; H358-H500 AromaticContact NE2-CE1 3.33Å; H358-H500 PolarHBondContact NE2-CE1 2.99Å; H358-H500 VanDerWaalsContact NE2-CE1 3.33Å; H358-H500 AromaticContact NE2-NE2 3.1Å; H358-H500 PolarHBondContact NE2-NE2 3.4Å; H358-R505 PolarHBondContact CD2-NH1 3.03Å; H358-R505 PolarHBondContact CD2-NH2 3.14Å; H358-R505 VanDerWaalsContact CG-CZ 3.49Å; H358-R505 PolarHBondContact O-NH1 3.35Å
359F90.8Very high87.7Confident18 Ų1832 Ų328%0.07918%0.175CC..  trans-52.5138.1-177.4-163.8-90.8000111.8F355 Y356 I361 L551 T552 Q554 D555F355-F359 AromaticContact CE1-CD2 3.88Å; F355-F359 HydrophobicContact CE1-CD2 3.88Å; F355-F359 HydrophobicContact CE1-CE2 4.27Å; F355-F359 AromaticContact CE2-CD2 3.97Å; F355-F359 HydrophobicContact CE2-CD2 3.97Å; F355-F359 HydrophobicContact CE2-CE2 4.21Å; F355-F359 AromaticContact CZ-CD2 3.41Å; F355-F359 HydrophobicContact CZ-CD2 3.41Å; F355-F359 VanDerWaalsContact CZ-CD2 3.41Å; F355-F359 AromaticContact CZ-CE2 3.53Å; F355-F359 HydrophobicContact CZ-CE2 3.53Å; F355-F359 PolarHBondContact O-N 3.18Å; Y356-F359 WeakPolarHBondContact O-CB 3.2Å; Y356-F359 PolarHBondContact O-N 2.88Å; F359-I361 VanDerWaalsContact C-N 3.31Å; F359-I361 HydrophobicContact CD1-CB 4.26Å; F359-I361 HydrophobicContact CD1-CG2 4.47Å; F359-I361 PolarHBondContact O-N 3.2Å; F359-L551 HydrophobicContact CB-CD1 4.04Å; F359-L551 HydrophobicContact CD1-CB 4.15Å; F359-L551 HydrophobicContact CD1-CD1 3.85Å; F359-L551 HydrophobicContact CE1-CB 4.14Å; F359-L551 HydrophobicContact CG-CD1 3.85Å; F359-T552 HydrophobicContact CE1-CG2 3.83Å; F359-T552 WeakPolarHBondContact CE1-OG1 3.45Å; F359-T552 WeakPolarHBondContact CZ-OG1 3.37Å; F359-Q554 HydrophobicContact CZ-CB 4.47Å; F359-D555 HydrophobicContact CE1-CB 4.16Å; F359-D555 HydrophobicContact CE2-CB 3.89Å; F359-D555 HydrophobicContact CZ-CB 3.55Å
360H87.1Confident87Confident46 Ų4636.7 Ų36.721%0.21320%0.199CC..SBendtrans-79.973.3-168-59.9159.2000112.9H358 L369 M374H358-H360 PolarHBondContact O-CD2 3.47Å; H358-H360 VanDerWaalsContact O-CD2 3.3Å; H358-H360 PolarHBondContact O-N 2.91Å; H360-L369 PolarHBondContact O-N 3.11Å; H360-L369 VanDerWaalsContact O-N 3.11Å; H360-M374 HydrophobicContact CB-SD 3.67Å; H360-M374 VanDerWaalsContact CE1-SD 3.52Å; H360-M374 PolarHBondContact ND1-SD 3.35Å
361I86.5Confident86.2Confident9 Ų942 Ų425%0.04623%0.225CC..BIsolated β-bridgetrans-130.5144.3-178.8-165.1170.1000110.4L313 F359 E363 G366 E367 L551 T552L313-I361 HydrophobicContact CD1-CD1 3.57Å; F359-I361 VanDerWaalsContact C-N 3.31Å; F359-I361 HydrophobicContact CD1-CB 4.26Å; F359-I361 HydrophobicContact CD1-CG2 4.47Å; F359-I361 PolarHBondContact O-N 3.2Å; I361-E363 PolarHBondContact O-N 3.26Å; I361-G366 VanDerWaalsContact CD1-O 3.31Å; I361-G366 WeakPolarHBondContact CD1-O 3.35Å; I361-G366 WeakPolarHBondContact CG1-O 3.47Å; I361-E367 WeakPolarHBondContact CG1-O 3.41Å; I361-L551 HydrophobicContact CD1-CB 4.31Å; I361-T552 HydrophobicContact CD1-CG2 3.96Å; I361-T552 HydrophobicContact CG1-CG2 4.25Å
362D83.4Confident85.8Confident21 Ų2141.2 Ų41.211%0.11223%0.23CC..  trans-73.2118.3168.7-169.6-71.8000109.7S364 T365 G366 E367 L369 R377D362-S364 PolarHBondContact O-N 3.03Å; D362-S364 WeakPolarHBondContact OD1-CA 3.31Å; D362-S364 WeakPolarHBondContact OD1-CB 3.46Å; D362-S364 PolarHBondContact OD1-N 3.43Å; D362-S364 PolarHBondContact OD1-OG 3.43Å; D362-T365 VanDerWaalsContact CB-OG1 3.3Å; D362-T365 WeakPolarHBondContact CB-OG1 3.47Å; D362-T365 PolarHBondContact OD1-N 2.9Å; D362-T365 PolarHBondContact OD1-OG1 3.2Å; D362-G366 VanDerWaalsContact O-CA 3.23Å; D362-G366 WeakPolarHBondContact O-CA 3.38Å; D362-G366 PolarHBondContact O-N 3.18Å; D362-E367 PolarHBondContact N-O 2.6Å; D362-L369 HydrophobicContact CB-CD2 4.11Å; D362-R377 IonicContact OD2-CZ 2.78Å; D362-R377 IonicContact OD2-NH1 2.78Å; D362-R377 PolarHBondContact OD2-NH1 3.45Å; D362-R377 IonicContact OD2-NH2 3.65Å; D362-R377 PolarHBondContact OD2-NH2 3.2Å
363E76.4Confident85.5Confident42 Ų4242.6 Ų42.620%0.19624%0.236CC..THydrogen-bonded Turntrans-64.3-24.9-175.6-59.9-17515500112.7Y238 R316 R317 N320 I361Y238-E363 PolarHBondContact OH-O 3.45Å; Y238-E363 VanDerWaalsContact OH-O 3.13Å; R316-E363 IonicContact NH1-OE1 2.91Å; R317-E363 WeakPolarHBondContact CG-O 3.44Å; N320-E363 PolarHBondContact ND2-OE1 3.05Å; I361-E363 PolarHBondContact O-N 3.26Å
364S75Confident84.9Confident34 Ų3444.7 Ų44.724%0.23825%0.246CC..THydrogen-bonded Turntrans-88.1-42-175.680.40000113.2H235 D362H235-S364 VanDerWaalsContact CD2-CB 3.45Å; H235-S364 WeakPolarHBondContact CD2-CB 3.32Å; D362-S364 PolarHBondContact O-N 3.03Å; D362-S364 WeakPolarHBondContact OD1-CA 3.31Å; D362-S364 WeakPolarHBondContact OD1-CB 3.46Å; D362-S364 PolarHBondContact OD1-N 3.43Å; D362-S364 PolarHBondContact OD1-OG 3.43Å
365T77.7Confident84.5Confident72 Ų7246.9 Ų46.944%0.44226%0.256SS..THydrogen-bonded Turntrans-93.9-31.2-179.264.30000111.9R317 D362 E367R317-T365 PolarHBondContact NH2-O 3.04Å; D362-T365 VanDerWaalsContact CB-OG1 3.3Å; D362-T365 WeakPolarHBondContact CB-OG1 3.47Å; D362-T365 PolarHBondContact OD1-N 2.9Å; D362-T365 PolarHBondContact OD1-OG1 3.2Å; T365-E367 VanDerWaalsContact C-N 3.27Å; T365-E367 WeakPolarHBondContact OG1-CB 3.37Å; T365-E367 WeakPolarHBondContact OG1-CG 3.39Å; T365-E367 PolarHBondContact OG1-N 3.04Å; T365-E367 VanDerWaalsContact OG1-N 3.16Å
366G77.9Confident84.5Confident10 Ų1051.7 Ų51.710%0.10328%0.277CS..  trans79.48.1-167.600000113.8I361 D362I361-G366 VanDerWaalsContact CD1-O 3.31Å; I361-G366 WeakPolarHBondContact CD1-O 3.35Å; I361-G366 WeakPolarHBondContact CG1-O 3.47Å; D362-G366 VanDerWaalsContact O-CA 3.23Å; D362-G366 WeakPolarHBondContact O-CA 3.38Å; D362-G366 PolarHBondContact O-N 3.18Å
367E81.9Confident84.2Confident113 Ų11355.6 Ų55.653%0.52829%0.292SS..PPolyproline II helixtrans-80.5146.9-179.9-65.1-61.7147.800111.3I361 D362 T365I361-E367 WeakPolarHBondContact CG1-O 3.41Å; D362-E367 PolarHBondContact N-O 2.6Å; T365-E367 VanDerWaalsContact C-N 3.27Å; T365-E367 WeakPolarHBondContact OG1-CB 3.37Å; T365-E367 WeakPolarHBondContact OG1-CG 3.39Å; T365-E367 PolarHBondContact OG1-N 3.04Å; T365-E367 VanDerWaalsContact OG1-N 3.16Å
368P82.5Confident84.2Confident73 Ų7356.5 Ų56.547%0.47430%0.295SS..BIsolated β-bridgetrans-63.1142.6172.427.3-33.3000111.2T552P368-T552 HydrophobicContact CB-CG2 3.97Å
369L83.1Confident84.3Confident33 Ų3357.2 Ų57.217%0.17330%0.303CS..PPolyproline II helixtrans-88.9130.2173.1-61.6174.8000110.2H360 D362 E373 M374 R377H360-L369 PolarHBondContact O-N 3.11Å; H360-L369 VanDerWaalsContact O-N 3.11Å; D362-L369 HydrophobicContact CB-CD2 4.11Å; L369-E373 HydrophobicContact CD2-CG 4.29Å; L369-M374 HydrophobicContact CB-CG 3.79Å; L369-R377 VanDerWaalsContact CD2-CZ 3.42Å
370D80.3Confident84.4Confident97 Ų9759.2 Ų59.252%0.51932%0.323SS..PPolyproline II helixtrans-77.3163.1172.272.315.3000111.7A372 E373 M374D370-A372 VanDerWaalsContact C-N 3.29Å; D370-A372 PolarHBondContact O-N 2.76Å; D370-A372 PolarHBondContact OD1-N 3.14Å; D370-E373 PolarHBondContact O-N 2.83Å; D370-E373 WeakPolarHBondContact OD1-CA 3.42Å; D370-E373 WeakPolarHBondContact OD1-CB 3.43Å; D370-E373 PolarHBondContact OD1-N 3.36Å; D370-M374 WeakPolarHBondContact O-CB 3Å; D370-M374 VanDerWaalsContact O-CG 3.26Å; D370-M374 WeakPolarHBondContact O-CG 3.41Å; D370-M374 PolarHBondContact O-N 3.29Å
371E80.9Confident84.6Confident113 Ų11361.4 Ų61.453%0.52833%0.332SS..Hα-helixtrans-59.8-38.8-176.7-168.3175.1-171.900113.1M374 D375E371-M374 HydrophobicContact CB-CE 4.21Å; E371-M374 HydrophobicContact CG-CE 4.43Å; E371-M374 PolarHBondContact O-N 3.32Å; E371-D375 WeakPolarHBondContact O-CB 3.42Å; E371-D375 PolarHBondContact O-N 3.34Å
372A85.3Confident84.9Confident69 Ų6961 Ų6157%0.5733%0.329SS*.Hα-helixtrans-67.7-42179.300000112.5D370 D375 K376D370-A372 VanDerWaalsContact C-N 3.29Å; D370-A372 PolarHBondContact O-N 2.76Å; D370-A372 PolarHBondContact OD1-N 3.14Å; A372-D375 PolarHBondContact O-N 2.91Å; A372-K376 VanDerWaalsContact O-CB 3.27Å; A372-K376 WeakPolarHBondContact O-CB 3.05Å; A372-K376 PolarHBondContact O-N 3.28Å
373E85.3Confident85.4Confident58 Ų5862.3 Ų62.327%0.27134%0.34SS..Hα-helixtrans-71-35.5176.7-176.559.2-157.300110.7L369 D370 K376 R377L369-E373 HydrophobicContact CD2-CG 4.29Å; D370-E373 PolarHBondContact O-N 2.83Å; D370-E373 WeakPolarHBondContact OD1-CA 3.42Å; D370-E373 WeakPolarHBondContact OD1-CB 3.43Å; D370-E373 PolarHBondContact OD1-N 3.36Å; E373-K376 PolarHBondContact O-N 2.92Å; E373-K376 IonicContact OE2-NZ 3.63Å; E373-K376 PolarHBondContact OE2-NZ 3.36Å; E373-R377 WeakPolarHBondContact O-CB 3.14Å; E373-R377 VanDerWaalsContact O-CG 3.24Å; E373-R377 WeakPolarHBondContact O-CG 3.39Å; E373-R377 PolarHBondContact O-N 2.96Å; E373-R377 IonicContact OE1-CZ 3.88Å; E373-R377 IonicContact OE1-NE 3.83Å; E373-R377 PolarHBondContact OE1-NE 2.86Å; E373-R377 IonicContact OE1-NH2 2.66Å
374M84.2Confident86.2Confident44 Ų4463.8 Ų63.822%0.21735%0.35CS..Hα-helixtrans-60-50.9170.6-74-167.4-63.500111.7H360 L369 D370 E371 K376 R377 H378H360-M374 HydrophobicContact CB-SD 3.67Å; H360-M374 VanDerWaalsContact CE1-SD 3.52Å; H360-M374 PolarHBondContact ND1-SD 3.35Å; L369-M374 HydrophobicContact CB-CG 3.79Å; D370-M374 WeakPolarHBondContact O-CB 3Å; D370-M374 VanDerWaalsContact O-CG 3.26Å; D370-M374 WeakPolarHBondContact O-CG 3.41Å; D370-M374 PolarHBondContact O-N 3.29Å; E371-M374 HydrophobicContact CB-CE 4.21Å; E371-M374 HydrophobicContact CG-CE 4.43Å; E371-M374 PolarHBondContact O-N 3.32Å; M374-K376 VanDerWaalsContact C-N 3.33Å; M374-K376 PolarHBondContact O-N 3.41Å; M374-R377 PolarHBondContact O-N 2.92Å; M374-H378 WeakPolarHBondContact O-CB 3.49Å; M374-H378 PolarHBondContact O-N 3.2Å
375D87.7Confident87.1Confident58 Ų5862.2 Ų62.231%0.3134%0.338SS..Hα-helixtrans-61.6-42.3178.6-82.5-14.4000111.2E371 A372 H378 C379 R504E371-D375 WeakPolarHBondContact O-CB 3.42Å; E371-D375 PolarHBondContact O-N 3.34Å; A372-D375 PolarHBondContact O-N 2.91Å; D375-H378 PolarHBondContact O-N 3.35Å; D375-C379 WeakPolarHBondContact O-CB 3.42Å; D375-C379 PolarHBondContact O-N 3.49Å; D375-C379 PolarHBondContact O-SG 3.45Å; D375-R504 IonicContact OD1-CZ 3.63Å; D375-R504 IonicContact OD1-NE 3.97Å; D375-R504 IonicContact OD1-NH2 3.58Å; D375-R504 PolarHBondContact OD1-NH2 3.41Å; D375-R504 IonicContact OD2-NH2 3.93Å
376K91Very high87.9Confident134 Ų13459.7 Ų59.758%0.58332%0.321SS*.Hα-helixtrans-62.3-45.3175.3-179.3-178.5165.2-157.10112.4A372 E373 M374 C379 A380A372-K376 VanDerWaalsContact O-CB 3.27Å; A372-K376 WeakPolarHBondContact O-CB 3.05Å; A372-K376 PolarHBondContact O-N 3.28Å; E373-K376 PolarHBondContact O-N 2.92Å; E373-K376 IonicContact OE2-NZ 3.63Å; E373-K376 PolarHBondContact OE2-NZ 3.36Å; M374-K376 VanDerWaalsContact C-N 3.33Å; M374-K376 PolarHBondContact O-N 3.41Å; K376-C379 PolarHBondContact O-N 2.7Å; K376-A380 WeakPolarHBondContact O-CB 3.32Å; K376-A380 PolarHBondContact O-N 3.35Å
377R89.1Confident88.7Confident86 Ų8665 Ų6533%0.32535%0.347SS..Hα-helixtrans-63.8-41.6176-75.8177.9-176.9-1530.5111.1D362 L369 E373 M374 A380 K381D362-R377 IonicContact OD2-CZ 2.78Å; D362-R377 IonicContact OD2-NH1 2.78Å; D362-R377 PolarHBondContact OD2-NH1 3.45Å; D362-R377 IonicContact OD2-NH2 3.65Å; D362-R377 PolarHBondContact OD2-NH2 3.2Å; L369-R377 VanDerWaalsContact CD2-CZ 3.42Å; E373-R377 WeakPolarHBondContact O-CB 3.14Å; E373-R377 VanDerWaalsContact O-CG 3.24Å; E373-R377 WeakPolarHBondContact O-CG 3.39Å; E373-R377 PolarHBondContact O-N 2.96Å; E373-R377 IonicContact OE1-CZ 3.88Å; E373-R377 IonicContact OE1-NE 3.83Å; E373-R377 PolarHBondContact OE1-NE 2.86Å; E373-R377 IonicContact OE1-NH2 2.66Å; M374-R377 PolarHBondContact O-N 2.92Å; R377-A380 PolarHBondContact O-N 3.48Å; R377-K381 VanDerWaalsContact O-CG 3.32Å; R377-K381 WeakPolarHBondContact O-CG 3.19Å; R377-K381 PolarHBondContact O-N 3.2Å
378H91.4Very high89.2Confident24 Ų2465.3 Ų65.311%0.11134%0.343CS..Hα-helixtrans-63.2-49.2176.417868.3000111.4M374 D375 A380 K381 L382 E409 F502 R504M374-H378 WeakPolarHBondContact O-CB 3.49Å; M374-H378 PolarHBondContact O-N 3.2Å; D375-H378 PolarHBondContact O-N 3.35Å; H378-A380 VanDerWaalsContact C-N 3.33Å; H378-A380 PolarHBondContact O-N 3Å; H378-K381 WeakPolarHBondContact O-CB 3.38Å; H378-K381 PolarHBondContact O-N 3.09Å; H378-L382 WeakPolarHBondContact O-CB 3.13Å; H378-L382 PolarHBondContact O-N 3.26Å; H378-E409 WeakPolarHBondContact NE2-CB 3.32Å; H378-E409 IonicContact NE2-OE2 3.27Å; H378-F502 PolarHBondContact CE1-O 3.4Å; H378-F502 VanDerWaalsContact CE1-O 3.26Å; H378-R504 PolarHBondContact CE1-N 3.45Å
379C92.7Very high89.6Confident48 Ų4861.8 Ų61.832%0.32432%0.321SS..Hα-helixtrans-60.1-42.7177-700000111.4D375 K376 K381 L382 S383D375-C379 WeakPolarHBondContact O-CB 3.42Å; D375-C379 PolarHBondContact O-N 3.49Å; D375-C379 PolarHBondContact O-SG 3.45Å; K376-C379 PolarHBondContact O-N 2.7Å; C379-K381 PolarHBondContact O-N 2.87Å; C379-L382 PolarHBondContact O-N 2.93Å; C379-S383 WeakPolarHBondContact O-CB 3.27Å; C379-S383 PolarHBondContact O-N 3.44Å; C379-S383 PolarHBondContact O-OG 3.27Å; C379-S383 VanDerWaalsContact O-OG 3.04Å
380A92.1Very high90.1Very high60 Ų6064.3 Ų64.350%0.49633%0.33SS..Hα-helixtrans-62.4-41.8176.100000112.5K376 R377 H378 N384K376-A380 WeakPolarHBondContact O-CB 3.32Å; K376-A380 PolarHBondContact O-N 3.35Å; R377-A380 PolarHBondContact O-N 3.48Å; H378-A380 VanDerWaalsContact C-N 3.33Å; H378-A380 PolarHBondContact O-N 3Å; A380-N384 WeakPolarHBondContact O-CB 3.21Å; A380-N384 PolarHBondContact O-N 3.46Å
381K91.8Very high90.7Very high92 Ų9263.2 Ų63.240%0.434%0.335SS..Hα-helixtrans-61.2-46.6174-75.9177.4178.9-172.90111.4R377 H378 C379 N384 L385 F502R377-K381 VanDerWaalsContact O-CG 3.32Å; R377-K381 WeakPolarHBondContact O-CG 3.19Å; R377-K381 PolarHBondContact O-N 3.2Å; H378-K381 WeakPolarHBondContact O-CB 3.38Å; H378-K381 PolarHBondContact O-N 3.09Å; C379-K381 PolarHBondContact O-N 2.87Å; K381-N384 WeakPolarHBondContact O-CB 3.49Å; K381-N384 PolarHBondContact O-N 2.94Å; K381-L385 PolarHBondContact O-N 2.92Å; K381-F502 HydrophobicContact CB-CD1 4.48Å
382L93.7Very high91.1Very high0 Ų060.7 Ų60.70%033%0.325CS..Hα-helixtrans-69.1-40.8-178.3-170.355.9000112H378 C379 N384 L385 Q386 P405 I408 E409H378-L382 WeakPolarHBondContact O-CB 3.13Å; H378-L382 PolarHBondContact O-N 3.26Å; C379-L382 PolarHBondContact O-N 2.93Å; L382-N384 VanDerWaalsContact C-N 3.3Å; L382-N384 PolarHBondContact O-N 3.15Å; L382-L385 HydrophobicContact CD1-CD2 4.3Å; L382-L385 WeakPolarHBondContact O-CA 3.17Å; L382-L385 WeakPolarHBondContact O-CB 3.45Å; L382-L385 PolarHBondContact O-N 2.98Å; L382-L385 VanDerWaalsContact O-N 3.14Å; L382-Q386 WeakPolarHBondContact O-CG 3.43Å; L382-Q386 PolarHBondContact O-N 2.98Å; L382-P405 HydrophobicContact CD2-CB 3.78Å; L382-P405 WeakPolarHBondContact CD2-O 3.02Å; L382-I408 HydrophobicContact CD1-CD1 3.66Å; L382-I408 HydrophobicContact CD1-CG1 3.98Å; L382-I408 HydrophobicContact CD2-CD1 4.08Å; L382-I408 HydrophobicContact CD2-CG1 3.82Å; L382-I408 HydrophobicContact CG-CD1 3.82Å; L382-I408 HydrophobicContact CG-CG1 4.12Å; L382-E409 HydrophobicContact CD2-CB 4.07Å
383S93Very high91.3Very high48 Ų4857.7 Ų57.734%0.33630%0.299SS..Hα-helixtrans-61.7-38171.8-65.60000111.9C379 Q386 L387C379-S383 WeakPolarHBondContact O-CB 3.27Å; C379-S383 PolarHBondContact O-N 3.44Å; C379-S383 PolarHBondContact O-OG 3.27Å; C379-S383 VanDerWaalsContact O-OG 3.04Å; S383-Q386 PolarHBondContact O-N 3.38Å; S383-L387 WeakPolarHBondContact O-CB 3.34Å; S383-L387 VanDerWaalsContact O-CG 3.28Å; S383-L387 WeakPolarHBondContact O-CG 3.34Å; S383-L387 PolarHBondContact O-N 3.34Å
384N93.2Very high91.4Very high74 Ų7460.2 Ų60.240%0.39631%0.309SS..Hα-helixtrans-64.4-41.3173.4-166.1-16.9000111.3A380 K381 L382 L387 R388 F433A380-N384 WeakPolarHBondContact O-CB 3.21Å; A380-N384 PolarHBondContact O-N 3.46Å; K381-N384 WeakPolarHBondContact O-CB 3.49Å; K381-N384 PolarHBondContact O-N 2.94Å; L382-N384 VanDerWaalsContact C-N 3.3Å; L382-N384 PolarHBondContact O-N 3.15Å; N384-L387 PolarHBondContact O-N 3.25Å; N384-R388 WeakPolarHBondContact O-CG 3.4Å; N384-R388 PolarHBondContact O-N 3.4Å; N384-F433 HydrophobicContact CB-CE1 4.49Å
385L94.6Very high91.5Very high0 Ų064 Ų640%033%0.33CS..Hα-helixtrans-57.4-49.6170.9-17860.3000111.7K381 L382 L387 R388 T389 F400 L414 L429 F433 F502K381-L385 PolarHBondContact O-N 2.92Å; L382-L385 HydrophobicContact CD1-CD2 4.3Å; L382-L385 WeakPolarHBondContact O-CA 3.17Å; L382-L385 WeakPolarHBondContact O-CB 3.45Å; L382-L385 PolarHBondContact O-N 2.98Å; L382-L385 VanDerWaalsContact O-N 3.14Å; L385-L387 VanDerWaalsContact C-N 3.35Å; L385-L387 PolarHBondContact O-N 2.97Å; L385-R388 PolarHBondContact O-N 3.15Å; L385-T389 HydrophobicContact CD1-CG2 4Å; L385-T389 HydrophobicContact CG-CG2 4.33Å; L385-T389 WeakPolarHBondContact O-CG2 3.47Å; L385-T389 PolarHBondContact O-N 3.46Å; L385-T389 PolarHBondContact O-OG1 3.23Å; L385-T389 VanDerWaalsContact O-OG1 3.11Å; L385-F400 HydrophobicContact CD2-CE1 4.19Å; L385-F400 HydrophobicContact CD2-CZ 3.62Å; L385-F400 HydrophobicContact CG-CE1 3.99Å; L385-F400 HydrophobicContact CG-CZ 3.94Å; L385-L414 HydrophobicContact CD2-CD2 4.45Å; L385-L429 HydrophobicContact CD1-CD1 4.26Å; L385-L429 HydrophobicContact CD1-CD2 4.27Å; L385-L429 HydrophobicContact CD1-CG 4.46Å; L385-F433 HydrophobicContact CB-CZ 4.41Å; L385-F433 HydrophobicContact CD1-CE2 3.79Å; L385-F433 HydrophobicContact CD1-CZ 4.04Å; L385-F502 HydrophobicContact CB-CD1 3.88Å; L385-F502 HydrophobicContact CB-CE1 3.72Å; L385-F502 HydrophobicContact CB-CG 4.39Å; L385-F502 HydrophobicContact CB-CZ 4.1Å; L385-F502 HydrophobicContact CD1-CD2 4.21Å; L385-F502 HydrophobicContact CD1-CE1 4.47Å; L385-F502 HydrophobicContact CD1-CE2 3.87Å; L385-F502 HydrophobicContact CD1-CZ 4.01Å; L385-F502 HydrophobicContact CD2-CB 3.9Å; L385-F502 HydrophobicContact CD2-CD1 3.92Å; L385-F502 HydrophobicContact CD2-CD2 3.73Å; L385-F502 HydrophobicContact CD2-CE1 4.38Å; L385-F502 HydrophobicContact CD2-CE2 4.21Å; L385-F502 HydrophobicContact CD2-CG 3.58Å; L385-F502 HydrophobicContact CG-CD1 4.39Å; L385-F502 HydrophobicContact CG-CD2 4.43Å; L385-F502 HydrophobicContact CG-CE1 4.4Å; L385-F502 HydrophobicContact CG-CE2 4.44Å; L385-F502 HydrophobicContact CG-CG 4.42Å; L385-F502 HydrophobicContact CG-CZ 4.42Å
386Q94.3Very high91.6Very high19 Ų1964.8 Ų64.89%0.08933%0.331CS..Hα-helixtrans-59.4-42.4178.8-70.3-179.8-60.900112.7L382 S383 T389 F390 F400 S403 I408L382-Q386 WeakPolarHBondContact O-CG 3.43Å; L382-Q386 PolarHBondContact O-N 2.98Å; S383-Q386 PolarHBondContact O-N 3.38Å; Q386-T389 WeakPolarHBondContact CA-OG1 3.32Å; Q386-T389 PolarHBondContact O-N 3.28Å; Q386-T389 PolarHBondContact O-OG1 2.8Å; Q386-F390 VanDerWaalsContact O-CB 3.25Å; Q386-F390 WeakPolarHBondContact O-CB 3.32Å; Q386-F390 PolarHBondContact O-N 2.96Å; Q386-F400 HydrophobicContact CG-CE1 4.26Å; Q386-F400 PolarHBondContact NE2-O 2.95Å; Q386-F400 VanDerWaalsContact NE2-O 3.16Å; Q386-S403 PolarHBondContact NE2-O 2.9Å; Q386-I408 HydrophobicContact CG-CD1 3.77Å
387L93.6Very high91.5Very high123 Ų12358.5 Ų58.564%0.64430%0.304SS*.Hα-helixtrans-65.1-40.8177.2-72.5171.6000111.7S383 N384 L385 F390 A391S383-L387 WeakPolarHBondContact O-CB 3.34Å; S383-L387 VanDerWaalsContact O-CG 3.28Å; S383-L387 WeakPolarHBondContact O-CG 3.34Å; S383-L387 PolarHBondContact O-N 3.34Å; N384-L387 PolarHBondContact O-N 3.25Å; L385-L387 VanDerWaalsContact C-N 3.35Å; L385-L387 PolarHBondContact O-N 2.97Å; L387-F390 PolarHBondContact O-N 2.84Å; L387-A391 WeakPolarHBondContact O-CB 3.42Å; L387-A391 PolarHBondContact O-N 2.66Å
388R92.5Very high91.6Very high118 Ų11858 Ų5845%0.44531%0.307SS..Hα-helixtrans-70.6-40.4177.1-68.5-62.6-174.3175.22.3112.3N384 L385 F390 A391 L392 L429 F433N384-R388 WeakPolarHBondContact O-CG 3.4Å; N384-R388 PolarHBondContact O-N 3.4Å; L385-R388 PolarHBondContact O-N 3.15Å; R388-F390 VanDerWaalsContact C-N 3.32Å; R388-A391 PolarHBondContact O-N 3.33Å; R388-L392 WeakPolarHBondContact O-CB 3.3Å; R388-L392 WeakPolarHBondContact O-CG 3.47Å; R388-L392 PolarHBondContact O-N 2.68Å; R388-L429 HydrophobicContact CB-CD1 4.25Å; R388-F433 HydrophobicContact CB-CE2 4.12Å; R388-F433 HydrophobicContact CB-CZ 3.75Å; R388-F433 HydrophobicContact CG-CE1 4.15Å; R388-F433 HydrophobicContact CG-CE2 4.23Å; R388-F433 HydrophobicContact CG-CZ 3.55Å
389T92.1Very high91.4Very high0 Ų060.8 Ų60.80%033%0.327CS..Hα-helixtrans-65.8-37.2174.454.80000111.6L385 Q386 H393 K394 L397 F400 S401 L429L385-T389 HydrophobicContact CD1-CG2 4Å; L385-T389 HydrophobicContact CG-CG2 4.33Å; L385-T389 WeakPolarHBondContact O-CG2 3.47Å; L385-T389 PolarHBondContact O-N 3.46Å; L385-T389 PolarHBondContact O-OG1 3.23Å; L385-T389 VanDerWaalsContact O-OG1 3.11Å; Q386-T389 WeakPolarHBondContact CA-OG1 3.32Å; Q386-T389 PolarHBondContact O-N 3.28Å; Q386-T389 PolarHBondContact O-OG1 2.8Å; T389-H393 CarbonylContact O-C 3.6Å; T389-H393 VanDerWaalsContact O-C 3.29Å; T389-H393 WeakPolarHBondContact O-CA 3.43Å; T389-H393 PolarHBondContact O-N 3.44Å; T389-K394 PolarHBondContact O-N 2.83Å; T389-L397 HydrophobicContact CG2-CD1 3.75Å; T389-F400 HydrophobicContact CG2-CD1 4.09Å; T389-F400 HydrophobicContact CG2-CE1 3.79Å; T389-F400 WeakPolarHBondContact OG1-CD1 3.41Å; T389-S401 PolarHBondContact OG1-OG 3.23Å; T389-L429 HydrophobicContact CG2-CD1 3.88Å; T389-L429 HydrophobicContact CG2-CD2 3.87Å
390F93.2Very high91.4Very high85 Ų8558.5 Ų58.537%0.37331%0.312SS..Hα-helixtrans-65.1-39.5173.5-172.6-96.1000112.2Q386 L387 R388 K394 L398 S401Q386-F390 VanDerWaalsContact O-CB 3.25Å; Q386-F390 WeakPolarHBondContact O-CB 3.32Å; Q386-F390 PolarHBondContact O-N 2.96Å; L387-F390 PolarHBondContact O-N 2.84Å; R388-F390 VanDerWaalsContact C-N 3.32Å; F390-K394 HydrophobicContact CD2-CD 4.35Å; F390-K394 HydrophobicContact CD2-CG 4.08Å; F390-K394 HydrophobicContact CE1-CD 4.34Å; F390-K394 HydrophobicContact CE2-CD 3.84Å; F390-K394 HydrophobicContact CE2-CG 3.97Å; F390-K394 HydrophobicContact CZ-CD 3.84Å; F390-K394 HydrophobicContact CZ-CG 4.45Å; F390-K394 WeakPolarHBondContact O-CB 3.1Å; F390-L398 HydrophobicContact CD2-CD1 4.17Å; F390-L398 HydrophobicContact CE2-CD1 3.84Å; F390-S401 PolarHBondContact N-OG 3.41Å
391A92.5Very high91.3Very high75 Ų7556.3 Ų56.362%0.6229%0.293SS*.Hα-helixtrans-71.8-38.6-179.700000113L387 R388L387-A391 WeakPolarHBondContact O-CB 3.42Å; L387-A391 PolarHBondContact O-N 2.66Å; R388-A391 PolarHBondContact O-N 3.33Å
392L89.7Confident91.2Very high59 Ų5956.7 Ų56.731%0.30930%0.303SS..Hα-helixtrans-93.2-43.5-173.9-64.9172.4000113.7R388 L429R388-L392 WeakPolarHBondContact O-CB 3.3Å; R388-L392 WeakPolarHBondContact O-CG 3.47Å; R388-L392 PolarHBondContact O-N 2.68Å; L392-L429 HydrophobicContact CD1-CD1 4.2Å
393H89.3Confident91.1Very high7 Ų758.6 Ų58.63%0.03232%0.316CS..  trans-134.542.7-165.5-56.3-55.6000112T389 D395 K396 L397 L421 Q425T389-H393 CarbonylContact O-C 3.6Å; T389-H393 VanDerWaalsContact O-C 3.29Å; T389-H393 WeakPolarHBondContact O-CA 3.43Å; T389-H393 PolarHBondContact O-N 3.44Å; H393-D395 VanDerWaalsContact C-OD1 3.32Å; H393-D395 PolarHBondContact O-N 3.16Å; H393-K396 PolarHBondContact O-N 3.29Å; H393-L397 PolarHBondContact O-N 2.76Å; H393-L421 HydrophobicContact CB-CD2 3.91Å; H393-Q425 VanDerWaalsContact CE1-CG 3.47Å; H393-Q425 WeakPolarHBondContact CE1-CG 3.46Å; H393-Q425 PolarHBondContact NE2-O 2.67Å
394K87.2Confident91Very high110 Ų11062.3 Ų62.348%0.47833%0.328SS..Hα-helixtrans-53.2-39-177.9-169.3177.2172.5-179.20112.8T389 F390 L398T389-K394 PolarHBondContact O-N 2.83Å; F390-K394 HydrophobicContact CD2-CD 4.35Å; F390-K394 HydrophobicContact CD2-CG 4.08Å; F390-K394 HydrophobicContact CE1-CD 4.34Å; F390-K394 HydrophobicContact CE2-CD 3.84Å; F390-K394 HydrophobicContact CE2-CG 3.97Å; F390-K394 HydrophobicContact CZ-CD 3.84Å; F390-K394 HydrophobicContact CZ-CG 4.45Å; F390-K394 WeakPolarHBondContact O-CB 3.1Å; K394-L398 HydrophobicContact CG-CD1 4.2Å; K394-L398 VanDerWaalsContact O-CB 3.25Å; K394-L398 WeakPolarHBondContact O-CB 3.41Å; K394-L398 PolarHBondContact O-N 2.94Å; K394-L398 VanDerWaalsContact O-N 3.07Å
395D87.6Confident90.8Very high125 Ų12560.7 Ų60.767%0.66832%0.321SS*.Hα-helixtrans-60.9-41.3-178.862.1-41.8000113.2H393H393-D395 VanDerWaalsContact C-OD1 3.32Å; H393-D395 PolarHBondContact O-N 3.16Å
396K89Confident90.4Very high74 Ų7463.2 Ų63.232%0.32234%0.343SS..Hα-helixtrans-93.1-34.1-178.4-66.2-177.2-175.5-179.80113.4H393 V420 L421 D422 Q425H393-K396 PolarHBondContact O-N 3.29Å; K396-V420 HydrophobicContact CB-CG1 4.19Å; K396-L421 HydrophobicContact CB-CD2 4.16Å; K396-L421 HydrophobicContact CD-CD2 4.04Å; K396-D422 IonicContact NZ-OD2 2.89Å; K396-D422 PolarHBondContact NZ-OD2 2.9Å; K396-Q425 VanDerWaalsContact NZ-CD 3.28Å; K396-Q425 VanDerWaalsContact NZ-NE2 3.13Å
397L89.6Confident90.1Very high2 Ų263.4 Ų63.41%0.0135%0.349CS..Hα-helixtrans-115.120.7-170.2-68.3-177.9000113.8T389 H393 F400 S401 H417 L421T389-L397 HydrophobicContact CG2-CD1 3.75Å; H393-L397 PolarHBondContact O-N 2.76Å; L397-F400 HydrophobicContact CB-CB 4.24Å; L397-F400 HydrophobicContact CD2-CB 4.15Å; L397-F400 WeakPolarHBondContact O-CB 3.12Å; L397-F400 PolarHBondContact O-N 3.43Å; L397-S401 WeakPolarHBondContact O-CB 3.11Å; L397-S401 PolarHBondContact O-N 3Å; L397-S401 PolarHBondContact O-OG 3.41Å; L397-H417 WeakPolarHBondContact CD2-O 3.44Å; L397-L421 HydrophobicContact CD1-CD1 3.64Å; L397-L421 HydrophobicContact CD1-CD2 3.87Å; L397-L421 HydrophobicContact CD1-CG 3.83Å; L397-L421 HydrophobicContact CG-CD2 4Å; L397-L421 HydrophobicContact CG-CG 4.28Å
398L89.9Confident90Very high74 Ų7457.5 Ų57.539%0.38732%0.318SS..Hα-helixtrans-53.3-48.9173-174.466000112.2F390 K394 F400 S401 V402F390-L398 HydrophobicContact CD2-CD1 4.17Å; F390-L398 HydrophobicContact CE2-CD1 3.84Å; K394-L398 HydrophobicContact CG-CD1 4.2Å; K394-L398 VanDerWaalsContact O-CB 3.25Å; K394-L398 WeakPolarHBondContact O-CB 3.41Å; K394-L398 PolarHBondContact O-N 2.94Å; K394-L398 VanDerWaalsContact O-N 3.07Å; L398-F400 VanDerWaalsContact C-N 3.28Å; L398-F400 PolarHBondContact O-N 3.45Å; L398-S401 PolarHBondContact O-N 2.94Å; L398-S401 VanDerWaalsContact O-N 3.14Å; L398-V402 HydrophobicContact CD1-CG1 3.9Å; L398-V402 WeakPolarHBondContact O-CG2 3.49Å; L398-V402 PolarHBondContact O-N 2.78Å; L398-V402 VanDerWaalsContact O-N 3.11Å
399P88Confident90Very high83 Ų8353.1 Ų53.154%0.53930%0.303SS..Hα-helixtrans-59.7-40.3-179.6-22.934.6000112.2S403P399-S403 WeakPolarHBondContact O-CB 3.36Å; P399-S403 PolarHBondContact O-N 3.26Å; P399-S403 PolarHBondContact O-OG 2.85Å
400F91.7Very high89.9Confident0 Ų055.9 Ų55.90%032%0.32CS..Hα-helixtrans-64.4-45.8175.9173.4-91.9000112L385 Q386 T389 L397 L398 V402 S403 I408 L414 H417L385-F400 HydrophobicContact CD2-CE1 4.19Å; L385-F400 HydrophobicContact CD2-CZ 3.62Å; L385-F400 HydrophobicContact CG-CE1 3.99Å; L385-F400 HydrophobicContact CG-CZ 3.94Å; Q386-F400 HydrophobicContact CG-CE1 4.26Å; Q386-F400 PolarHBondContact NE2-O 2.95Å; Q386-F400 VanDerWaalsContact NE2-O 3.16Å; T389-F400 HydrophobicContact CG2-CD1 4.09Å; T389-F400 HydrophobicContact CG2-CE1 3.79Å; T389-F400 WeakPolarHBondContact OG1-CD1 3.41Å; L397-F400 HydrophobicContact CB-CB 4.24Å; L397-F400 HydrophobicContact CD2-CB 4.15Å; L397-F400 WeakPolarHBondContact O-CB 3.12Å; L397-F400 PolarHBondContact O-N 3.43Å; L398-F400 VanDerWaalsContact C-N 3.28Å; L398-F400 PolarHBondContact O-N 3.45Å; F400-V402 VanDerWaalsContact C-N 3.29Å; F400-V402 PolarHBondContact O-N 3.41Å; F400-S403 PolarHBondContact O-N 3.5Å; F400-I408 HydrophobicContact CD2-CB 4.11Å; F400-I408 HydrophobicContact CD2-CD1 4.22Å; F400-I408 HydrophobicContact CD2-CG2 3.73Å; F400-I408 HydrophobicContact CE1-CD1 4.49Å; F400-I408 HydrophobicContact CE2-CB 3.84Å; F400-I408 HydrophobicContact CE2-CD1 3.76Å; F400-I408 HydrophobicContact CE2-CG1 4.32Å; F400-I408 HydrophobicContact CE2-CG2 4.01Å; F400-I408 HydrophobicContact CZ-CD1 3.9Å; F400-L414 HydrophobicContact CE2-CD2 3.85Å; F400-L414 HydrophobicContact CZ-CD2 4.22Å; F400-H417 HydrophobicContact CB-CB 4.21Å; F400-H417 HydrophobicContact CD2-CB 3.49Å; F400-H417 VanDerWaalsContact CD2-CB 3.49Å; F400-H417 AromaticContact CD2-CD2 3.94Å; F400-H417 AromaticContact CD2-CG 3.63Å; F400-H417 HydrophobicContact CE2-CB 4.22Å; F400-H417 HydrophobicContact CG-CB 4.14Å
401S91.3Very high89.8Confident15 Ų1554.1 Ų54.111%0.10532%0.321CS..Hα-helixtrans-70.4-23.1-173.6-53.30000113.8T389 F390 L397 L398T389-S401 PolarHBondContact OG1-OG 3.23Å; F390-S401 PolarHBondContact N-OG 3.41Å; L397-S401 WeakPolarHBondContact O-CB 3.11Å; L397-S401 PolarHBondContact O-N 3Å; L397-S401 PolarHBondContact O-OG 3.41Å; L398-S401 PolarHBondContact O-N 2.94Å; L398-S401 VanDerWaalsContact O-N 3.14Å
402V90.2Very high89.8Confident100 Ų10058.4 Ų58.461%0.60633%0.328SS*.THydrogen-bonded Turntrans-105.80.1178.3-53.60000113.5L398 F400L398-V402 HydrophobicContact CD1-CG1 3.9Å; L398-V402 WeakPolarHBondContact O-CG2 3.49Å; L398-V402 PolarHBondContact O-N 2.78Å; L398-V402 VanDerWaalsContact O-N 3.11Å; F400-V402 VanDerWaalsContact C-N 3.29Å; F400-V402 PolarHBondContact O-N 3.41Å
403S91.4Very high89.9Confident40 Ų4058.2 Ų58.228%0.2833%0.327SS..SBendtrans-69.2156.1177.7-74.70000111.9Q386 P399 F400Q386-S403 PolarHBondContact NE2-O 2.9Å; P399-S403 WeakPolarHBondContact O-CB 3.36Å; P399-S403 PolarHBondContact O-N 3.26Å; P399-S403 PolarHBondContact O-OG 2.85Å; F400-S403 PolarHBondContact O-N 3.5Å
404H90.9Very high90.1Very high125 Ų12557.9 Ų57.958%0.57933%0.326SS*.  trans-69.1147.6168.16981.5000110.2A406 G407H404-A406 VanDerWaalsContact C-N 3.35Å; H404-A406 VanDerWaalsContact CE1-C 3.42Å; H404-A406 PolarHBondContact ND1-N 3.42Å; H404-A406 PolarHBondContact O-N 3.2Å; H404-G407 WeakPolarHBondContact CE1-CA 3.35Å; H404-G407 PolarHBondContact CE1-N 3.48Å; H404-G407 PolarHBondContact ND1-N 2.96Å; H404-G407 PolarHBondContact O-N 3.24Å
405P88.3Confident90.5Very high40 Ų4057.1 Ų57.126%0.2632%0.32SS..G310 helixtrans-47.2-50-179.6-34.138.5000114.4L382 G407 I408 E409L382-P405 HydrophobicContact CD2-CB 3.78Å; L382-P405 WeakPolarHBondContact CD2-O 3.02Å; P405-G407 PolarHBondContact O-N 3.11Å; P405-I408 VanDerWaalsContact O-CG1 3.28Å; P405-I408 WeakPolarHBondContact O-CG1 3.38Å; P405-I408 PolarHBondContact O-N 3.5Å; P405-E409 WeakPolarHBondContact O-CB 2.98Å; P405-E409 PolarHBondContact O-N 2.88Å
406A87.1Confident90.7Very high54 Ų5458 Ų5845%0.44632%0.318SS..G310 helixtrans-61.1-17.7179.900000115H404 I408H404-A406 VanDerWaalsContact C-N 3.35Å; H404-A406 VanDerWaalsContact CE1-C 3.42Å; H404-A406 PolarHBondContact ND1-N 3.42Å; H404-A406 PolarHBondContact O-N 3.2Å; A406-I408 VanDerWaalsContact C-N 3.3Å
407G87.5Confident90.8Very high22 Ų2256.3 Ų56.323%0.22731%0.311CS..G310 helixtrans-87.5-4.7-178.200000112.6H404 P405 L413H404-G407 WeakPolarHBondContact CE1-CA 3.35Å; H404-G407 PolarHBondContact CE1-N 3.48Å; H404-G407 PolarHBondContact ND1-N 2.96Å; H404-G407 PolarHBondContact O-N 3.24Å; P405-G407 PolarHBondContact O-N 3.11Å; G407-L413 WeakPolarHBondContact O-CD1 3.47Å
408I91Very high90.9Very high0 Ų056.2 Ų56.20%031%0.31CS..THydrogen-bonded Turntrans-135.3-6.9-178.859.7172.6000113L382 Q386 F400 P405 A406 T410 L414L382-I408 HydrophobicContact CD1-CD1 3.66Å; L382-I408 HydrophobicContact CD1-CG1 3.98Å; L382-I408 HydrophobicContact CD2-CD1 4.08Å; L382-I408 HydrophobicContact CD2-CG1 3.82Å; L382-I408 HydrophobicContact CG-CD1 3.82Å; L382-I408 HydrophobicContact CG-CG1 4.12Å; Q386-I408 HydrophobicContact CG-CD1 3.77Å; F400-I408 HydrophobicContact CD2-CB 4.11Å; F400-I408 HydrophobicContact CD2-CD1 4.22Å; F400-I408 HydrophobicContact CD2-CG2 3.73Å; F400-I408 HydrophobicContact CE1-CD1 4.49Å; F400-I408 HydrophobicContact CE2-CB 3.84Å; F400-I408 HydrophobicContact CE2-CD1 3.76Å; F400-I408 HydrophobicContact CE2-CG1 4.32Å; F400-I408 HydrophobicContact CE2-CG2 4.01Å; F400-I408 HydrophobicContact CZ-CD1 3.9Å; P405-I408 VanDerWaalsContact O-CG1 3.28Å; P405-I408 WeakPolarHBondContact O-CG1 3.38Å; P405-I408 PolarHBondContact O-N 3.5Å; A406-I408 VanDerWaalsContact C-N 3.3Å; I408-T410 PolarHBondContact O-N 3.35Å; I408-L414 WeakPolarHBondContact O-CD2 3.26Å; I408-L414 WeakPolarHBondContact O-CG 3.39Å
409E92Very high91Very high26 Ų2655.3 Ų55.312%0.12131%0.31CS..  trans-70.8-23.7-17068.6-177.6-158.400115.4H378 L382 P405 A503 R504H378-E409 WeakPolarHBondContact NE2-CB 3.32Å; H378-E409 IonicContact NE2-OE2 3.27Å; L382-E409 HydrophobicContact CD2-CB 4.07Å; P405-E409 WeakPolarHBondContact O-CB 2.98Å; P405-E409 PolarHBondContact O-N 2.88Å; E409-A503 CarbonylContact O-C 3.55Å; E409-A503 VanDerWaalsContact O-CA 3.3Å; E409-A503 WeakPolarHBondContact O-CA 3.31Å; E409-R504 HydrophobicContact CB-CB 4.01Å; E409-R504 HydrophobicContact CG-CB 4.09Å; E409-R504 PolarHBondContact O-N 3.38Å; E409-R504 WeakPolarHBondContact OE1-CD 3.21Å; E409-R504 IonicContact OE1-CZ 3.82Å; E409-R504 IonicContact OE1-NE 2.92Å; E409-R504 IonicContact OE1-NH1 3.17Å; E409-R504 PolarHBondContact OE1-NH1 2.66Å; E409-R504 IonicContact OE2-NH1 2.75Å
410T91.3Very high91.2Very high57 Ų5755.2 Ų55.235%0.3531%0.308SS..SBendtrans-79.9149.7-176.571.40000111.9I408 Q412 L413 L414I408-T410 PolarHBondContact O-N 3.35Å; T410-Q412 PolarHBondContact O-N 2.89Å; T410-Q412 VanDerWaalsContact O-N 3.12Å; T410-L413 HydrophobicContact CG2-CD1 4.27Å; T410-L413 PolarHBondContact O-N 2.85Å; T410-L413 WeakPolarHBondContact OG1-CB 3.36Å; T410-L413 VanDerWaalsContact OG1-CD1 3.24Å; T410-L413 WeakPolarHBondContact OG1-CD1 3.31Å; T410-L413 WeakPolarHBondContact OG1-CG 3.33Å; T410-L413 PolarHBondContact OG1-N 3.28Å; T410-L414 PolarHBondContact O-N 3.16Å
411A91.1Very high91.1Very high48 Ų4855.2 Ų55.240%0.39731%0.308SS..Hα-helixtrans-54.5-35.2178.800000113.3R415 I499 A503A411-R415 VanDerWaalsContact O-CB 3.27Å; A411-R415 WeakPolarHBondContact O-CB 3.43Å; A411-R415 PolarHBondContact O-N 3.23Å; A411-I499 HydrophobicContact CB-CG2 3.64Å; A411-A503 HydrophobicContact CB-CB 4.33Å
412Q91.3Very high91Very high166 Ų16657.7 Ų57.778%0.77632%0.32SS*.Hα-helixtrans-69.2-42.9177.6-64.3179.72.200112.1T410 R415 K416T410-Q412 PolarHBondContact O-N 2.89Å; T410-Q412 VanDerWaalsContact O-N 3.12Å; Q412-R415 PolarHBondContact O-N 3.04Å; Q412-K416 WeakPolarHBondContact O-CB 3.47Å; Q412-K416 PolarHBondContact O-N 3.49Å
413L92.8Very high90.8Very high55 Ų5558.1 Ų58.129%0.28831%0.311SS..Hα-helixtrans-69.6-45.2178.8-66.7167.1000110.9G407 T410 R415 K416 H417G407-L413 WeakPolarHBondContact O-CD1 3.47Å; T410-L413 HydrophobicContact CG2-CD1 4.27Å; T410-L413 PolarHBondContact O-N 2.85Å; T410-L413 WeakPolarHBondContact OG1-CB 3.36Å; T410-L413 VanDerWaalsContact OG1-CD1 3.24Å; T410-L413 WeakPolarHBondContact OG1-CD1 3.31Å; T410-L413 WeakPolarHBondContact OG1-CG 3.33Å; T410-L413 PolarHBondContact OG1-N 3.28Å; L413-R415 VanDerWaalsContact C-N 3.34Å; L413-R415 PolarHBondContact O-N 3.44Å; L413-K416 WeakPolarHBondContact O-CB 3.48Å; L413-K416 PolarHBondContact O-N 2.8Å; L413-H417 PolarHBondContact O-CD2 3.04Å; L413-H417 PolarHBondContact O-N 2.79Å
414L93.6Very high90.6Very high0 Ų059.7 Ų59.70%032%0.316CS..Hα-helixtrans-55.8-48.2172.6-71.9-179.2000111.4L385 F400 I408 T410 K416 H417 L418 I499 F502 A503L385-L414 HydrophobicContact CD2-CD2 4.45Å; F400-L414 HydrophobicContact CE2-CD2 3.85Å; F400-L414 HydrophobicContact CZ-CD2 4.22Å; I408-L414 WeakPolarHBondContact O-CD2 3.26Å; I408-L414 WeakPolarHBondContact O-CG 3.39Å; T410-L414 PolarHBondContact O-N 3.16Å; L414-K416 VanDerWaalsContact C-N 3.32Å; L414-K416 PolarHBondContact O-N 3.16Å; L414-H417 PolarHBondContact O-N 3.39Å; L414-L418 HydrophobicContact CB-CD1 4.33Å; L414-L418 VanDerWaalsContact O-CB 3.27Å; L414-L418 WeakPolarHBondContact O-CB 3.14Å; L414-L418 VanDerWaalsContact O-CG 3.24Å; L414-L418 WeakPolarHBondContact O-CG 3.31Å; L414-L418 PolarHBondContact O-N 3.37Å; L414-I499 HydrophobicContact CB-CG1 3.93Å; L414-F502 HydrophobicContact CD1-CB 4.02Å; L414-A503 HydrophobicContact CD1-CB 3.86Å
415R94.1Very high90.5Very high94 Ų9455.2 Ų55.236%0.35530%0.295SS..Hα-helixtrans-57.8-45.9177.3-176.6170.1-85.9-92.2-1111.4A411 Q412 L413 H417 S419 D492 I495 I499A411-R415 VanDerWaalsContact O-CB 3.27Å; A411-R415 WeakPolarHBondContact O-CB 3.43Å; A411-R415 PolarHBondContact O-N 3.23Å; Q412-R415 PolarHBondContact O-N 3.04Å; L413-R415 VanDerWaalsContact C-N 3.34Å; L413-R415 PolarHBondContact O-N 3.44Å; R415-H417 PolarHBondContact O-N 2.78Å; R415-S419 WeakPolarHBondContact O-CB 3.28Å; R415-S419 PolarHBondContact O-N 3.12Å; R415-S419 PolarHBondContact O-OG 3.23Å; R415-D492 IonicContact CZ-OD1 2.77Å; R415-D492 IonicContact NH1-OD1 3.71Å; R415-D492 PolarHBondContact NH1-OD1 2.97Å; R415-D492 IonicContact NH2-OD1 3.64Å; R415-D492 PolarHBondContact NH2-OD1 3.32Å; R415-I495 HydrophobicContact CG-CG2 4.38Å; R415-I499 HydrophobicContact CB-CD1 3.69Å; R415-I499 HydrophobicContact CG-CD1 4.33Å
416K91.8Very high90.7Very high143 Ų14353.3 Ų53.362%0.62228%0.283SS*.Hα-helixtrans-57-49.3178.5-177.6-177176.8-175.70111.3Q412 L413 L414 S419Q412-K416 WeakPolarHBondContact O-CB 3.47Å; Q412-K416 PolarHBondContact O-N 3.49Å; L413-K416 WeakPolarHBondContact O-CB 3.48Å; L413-K416 PolarHBondContact O-N 2.8Å; L414-K416 VanDerWaalsContact C-N 3.32Å; L414-K416 PolarHBondContact O-N 3.16Å; K416-S419 PolarHBondContact O-OG 3.39Å
417H91.1Very high90.7Very high38 Ų3851.6 Ų51.618%0.17627%0.265CS..Hα-helixtrans-72.1-47.2-178.5-72.9-71.6000113.1L397 F400 L413 L414 R415 S419 V420L397-H417 WeakPolarHBondContact CD2-O 3.44Å; F400-H417 HydrophobicContact CB-CB 4.21Å; F400-H417 HydrophobicContact CD2-CB 3.49Å; F400-H417 VanDerWaalsContact CD2-CB 3.49Å; F400-H417 AromaticContact CD2-CD2 3.94Å; F400-H417 AromaticContact CD2-CG 3.63Å; F400-H417 HydrophobicContact CE2-CB 4.22Å; F400-H417 HydrophobicContact CG-CB 4.14Å; L413-H417 PolarHBondContact O-CD2 3.04Å; L413-H417 PolarHBondContact O-N 2.79Å; L414-H417 PolarHBondContact O-N 3.39Å; R415-H417 PolarHBondContact O-N 2.78Å; H417-S419 VanDerWaalsContact C-N 3.28Å; H417-S419 PolarHBondContact O-N 2.86Å; H417-V420 WeakPolarHBondContact O-CB 3.3Å; H417-V420 WeakPolarHBondContact O-CG2 3.47Å; H417-V420 PolarHBondContact O-N 3.18Å
418L92.3Very high90.8Very high0 Ų054.2 Ų54.20%027%0.272CS..Hα-helixtrans-68.5-26.8-177.2-65.1173.7000112.8L414 V420 L421 L426 L429 L498 I499L414-L418 HydrophobicContact CB-CD1 4.33Å; L414-L418 VanDerWaalsContact O-CB 3.27Å; L414-L418 WeakPolarHBondContact O-CB 3.14Å; L414-L418 VanDerWaalsContact O-CG 3.24Å; L414-L418 WeakPolarHBondContact O-CG 3.31Å; L414-L418 PolarHBondContact O-N 3.37Å; L418-V420 PolarHBondContact O-N 3.49Å; L418-V420 VanDerWaalsContact O-N 3.13Å; L418-L421 PolarHBondContact O-N 3.01Å; L418-L421 VanDerWaalsContact O-N 3.15Å; L418-L426 HydrophobicContact CB-CD2 4.35Å; L418-L429 HydrophobicContact CD2-CD2 4.15Å; L418-L498 HydrophobicContact CD1-CB 3.81Å; L418-L498 HydrophobicContact CD1-CD1 4.23Å; L418-L498 HydrophobicContact CD2-CD1 4.43Å; L418-I499 HydrophobicContact CD1-CG1 4.48Å
419S91.9Very high90.7Very high55 Ų5554.2 Ų54.239%0.38527%0.272SS..THydrogen-bonded Turntrans-62-19.3178.269.70000114.4R415 K416 H417 L421 K491R415-S419 WeakPolarHBondContact O-CB 3.28Å; R415-S419 PolarHBondContact O-N 3.12Å; R415-S419 PolarHBondContact O-OG 3.23Å; K416-S419 PolarHBondContact O-OG 3.39Å; H417-S419 VanDerWaalsContact C-N 3.28Å; H417-S419 PolarHBondContact O-N 2.86Å; S419-L421 VanDerWaalsContact C-N 3.31Å; S419-K491 PolarHBondContact O-NZ 3.49Å
420V91.5Very high90.7Very high81 Ų8153 Ų5349%0.49127%0.266SS..THydrogen-bonded Turntrans-68.8-29.3177.5-178.90000112.1K396 H417 L418K396-V420 HydrophobicContact CB-CG1 4.19Å; H417-V420 WeakPolarHBondContact O-CB 3.3Å; H417-V420 WeakPolarHBondContact O-CG2 3.47Å; H417-V420 PolarHBondContact O-N 3.18Å; L418-V420 PolarHBondContact O-N 3.49Å; L418-V420 VanDerWaalsContact O-N 3.13Å
421L90.8Very high90.6Very high1 Ų150.7 Ų50.71%0.00525%0.252CS..SBendtrans-73.7149178.5-64.2-176.8000111.2H393 K396 L397 L418 S419 Q425 L426 L429 K491H393-L421 HydrophobicContact CB-CD2 3.91Å; K396-L421 HydrophobicContact CB-CD2 4.16Å; K396-L421 HydrophobicContact CD-CD2 4.04Å; L397-L421 HydrophobicContact CD1-CD1 3.64Å; L397-L421 HydrophobicContact CD1-CD2 3.87Å; L397-L421 HydrophobicContact CD1-CG 3.83Å; L397-L421 HydrophobicContact CG-CD2 4Å; L397-L421 HydrophobicContact CG-CG 4.28Å; L418-L421 PolarHBondContact O-N 3.01Å; L418-L421 VanDerWaalsContact O-N 3.15Å; S419-L421 VanDerWaalsContact C-N 3.31Å; L421-Q425 HydrophobicContact CB-CB 4.15Å; L421-Q425 HydrophobicContact CD2-CB 4.32Å; L421-L426 HydrophobicContact CB-CD1 4.34Å; L421-L426 HydrophobicContact CB-CD2 3.96Å; L421-L426 HydrophobicContact CB-CG 3.69Å; L421-L426 HydrophobicContact CD1-CD2 3.91Å; L421-L426 HydrophobicContact CD1-CG 4.3Å; L421-L429 HydrophobicContact CD1-CD2 3.99Å; L421-K491 VanDerWaalsContact O-CE 3.24Å; L421-K491 WeakPolarHBondContact O-CE 3.35Å; L421-K491 PolarHBondContact O-NZ 2.79Å
422D89.2Confident90.4Very high67 Ų6750.5 Ų50.536%0.35825%0.247SC..  trans-77.9173.7168.263.453.1000111.1K396 D424 Q425 L426K396-D422 IonicContact NZ-OD2 2.89Å; K396-D422 PolarHBondContact NZ-OD2 2.9Å; D422-D424 PolarHBondContact O-N 2.84Å; D422-D424 PolarHBondContact OD1-N 2.89Å; D422-D424 VanDerWaalsContact OD1-N 3.12Å; D422-Q425 VanDerWaalsContact OD1-CB 3.28Å; D422-Q425 WeakPolarHBondContact OD1-CB 3.49Å; D422-Q425 WeakPolarHBondContact OD1-CG 3.2Å; D422-Q425 PolarHBondContact OD1-N 3.2Å; D422-Q425 WeakPolarHBondContact OD2-CG 3.47Å; D422-Q425 PolarHBondContact OD2-OE1 2.96Å; D422-L426 WeakPolarHBondContact O-CB 3.24Å; D422-L426 WeakPolarHBondContact O-CD1 3.48Å; D422-L426 VanDerWaalsContact O-CG 3.27Å; D422-L426 WeakPolarHBondContact O-CG 3.39Å; D422-L426 PolarHBondContact O-N 3.5Å
423R86.3Confident90.4Very high108 Ų10843.6 Ų43.641%0.40822%0.215SC..Hα-helixtrans-59.7-45.6-176.5180-166.262.4-166.62.7112.2L426 Y427 M489 I494R423-L426 PolarHBondContact O-N 3.3Å; R423-Y427 WeakPolarHBondContact O-CB 3.4Å; R423-Y427 PolarHBondContact O-N 2.87Å; R423-M489 WeakPolarHBondContact CD-O 3.36Å; R423-I494 HydrophobicContact CG-CD1 4.35Å
424D86.4Confident90.1Very high74 Ų7441 Ų4140%0.39620%0.202SC..Hα-helixtrans-74.2-35.3-172-58.7-17.6000110.1D422 Y427 Q428D422-D424 PolarHBondContact O-N 2.84Å; D422-D424 PolarHBondContact OD1-N 2.89Å; D422-D424 VanDerWaalsContact OD1-N 3.12Å; D424-Y427 PolarHBondContact O-N 3.3Å; D424-Q428 WeakPolarHBondContact O-CB 3.25Å; D424-Q428 PolarHBondContact O-N 3.48Å
425Q89.9Confident89.9Confident31 Ų3141.3 Ų41.315%0.14520%0.203CC..Hα-helixtrans-62.6-42.2170.5-71.3-178.8-26.800112.8H393 K396 L421 D422 L429H393-Q425 VanDerWaalsContact CE1-CG 3.47Å; H393-Q425 WeakPolarHBondContact CE1-CG 3.46Å; H393-Q425 PolarHBondContact NE2-O 2.67Å; K396-Q425 VanDerWaalsContact NZ-CD 3.28Å; K396-Q425 VanDerWaalsContact NZ-NE2 3.13Å; L421-Q425 HydrophobicContact CB-CB 4.15Å; L421-Q425 HydrophobicContact CD2-CB 4.32Å; D422-Q425 VanDerWaalsContact OD1-CB 3.28Å; D422-Q425 WeakPolarHBondContact OD1-CB 3.49Å; D422-Q425 WeakPolarHBondContact OD1-CG 3.2Å; D422-Q425 PolarHBondContact OD1-N 3.2Å; D422-Q425 WeakPolarHBondContact OD2-CG 3.47Å; D422-Q425 PolarHBondContact OD2-OE1 2.96Å; Q425-L429 WeakPolarHBondContact O-CB 3.44Å; Q425-L429 PolarHBondContact O-N 3.06Å
426L90.6Very high89.4Confident0 Ų036.9 Ų36.90%019%0.186CC..Hα-helixtrans-65.1-41.4174.9-76164000111.5L418 L421 D422 R423 L429 A430 K491 I494 I495 L498L418-L426 HydrophobicContact CB-CD2 4.35Å; L421-L426 HydrophobicContact CB-CD1 4.34Å; L421-L426 HydrophobicContact CB-CD2 3.96Å; L421-L426 HydrophobicContact CB-CG 3.69Å; L421-L426 HydrophobicContact CD1-CD2 3.91Å; L421-L426 HydrophobicContact CD1-CG 4.3Å; D422-L426 WeakPolarHBondContact O-CB 3.24Å; D422-L426 WeakPolarHBondContact O-CD1 3.48Å; D422-L426 VanDerWaalsContact O-CG 3.27Å; D422-L426 WeakPolarHBondContact O-CG 3.39Å; D422-L426 PolarHBondContact O-N 3.5Å; R423-L426 PolarHBondContact O-N 3.3Å; L426-L429 PolarHBondContact O-N 3.35Å; L426-A430 WeakPolarHBondContact O-CB 3.47Å; L426-A430 PolarHBondContact O-N 2.81Å; L426-K491 HydrophobicContact CD1-CD 4.29Å; L426-K491 HydrophobicContact CD1-CG 3.72Å; L426-I494 HydrophobicContact CB-CB 4.35Å; L426-I494 HydrophobicContact CB-CD1 4.2Å; L426-I494 HydrophobicContact CB-CG2 3.83Å; L426-I495 HydrophobicContact CD1-CD1 4.07Å; L426-I495 HydrophobicContact CD1-CG1 3.8Å; L426-I495 HydrophobicContact CD2-CG1 4.19Å; L426-L498 HydrophobicContact CD2-CD1 3.77Å
427Y88.6Confident88.7Confident18 Ų1832 Ų327%0.07117%0.169CC..Hα-helixtrans-62.5-46.7176.8-166.6-84.8000111.4R423 D424 L429 A430 S431 V436 T437 F488 M489 I494R423-Y427 WeakPolarHBondContact O-CB 3.4Å; R423-Y427 PolarHBondContact O-N 2.87Å; D424-Y427 PolarHBondContact O-N 3.3Å; Y427-L429 VanDerWaalsContact C-N 3.34Å; Y427-L429 PolarHBondContact O-N 3.07Å; Y427-A430 PolarHBondContact O-N 2.76Å; Y427-S431 WeakPolarHBondContact O-CB 3.43Å; Y427-S431 PolarHBondContact O-N 3.32Å; Y427-V436 HydrophobicContact CD2-CG1 4.13Å; Y427-V436 HydrophobicContact CE1-CG1 4.15Å; Y427-V436 HydrophobicContact CE2-CB 4.46Å; Y427-V436 HydrophobicContact CE2-CG1 3.37Å; Y427-V436 WeakPolarHBondContact OH-CG1 3.46Å; Y427-T437 WeakPolarHBondContact CE1-O 3.33Å; Y427-T437 PolarHBondContact OH-O 3.19Å; Y427-F488 HydrophobicContact CD2-CB 4.44Å; Y427-F488 HydrophobicContact CE2-CB 3.89Å; Y427-M489 HydrophobicContact CD2-CE 4.05Å; Y427-M489 HydrophobicContact CE2-CE 3.5Å; Y427-M489 VanDerWaalsContact CE2-CE 3.5Å; Y427-I494 HydrophobicContact CD2-CD1 4.26Å
428Q88.1Confident87.5Confident77 Ų7733.8 Ų33.836%0.3618%0.179SC..Hα-helixtrans-58.9-45.7174.9-172.2-1771300111.1D424 S431 C432D424-Q428 WeakPolarHBondContact O-CB 3.25Å; D424-Q428 PolarHBondContact O-N 3.48Å; Q428-S431 PolarHBondContact O-N 3.43Å; Q428-S431 PolarHBondContact O-OG 2.73Å; Q428-C432 PolarHBondContact O-N 3.12Å; Q428-C432 PolarHBondContact O-SG 2.93Å
429L90.9Very high86Confident0 Ų038.1 Ų38.10%020%0.198CC..Hα-helixtrans-61.6-47.8177.8-177.964000111.9L385 R388 T389 L392 L418 L421 Q425 L426 Y427 S431 C432 F433 L498L385-L429 HydrophobicContact CD1-CD1 4.26Å; L385-L429 HydrophobicContact CD1-CD2 4.27Å; L385-L429 HydrophobicContact CD1-CG 4.46Å; R388-L429 HydrophobicContact CB-CD1 4.25Å; T389-L429 HydrophobicContact CG2-CD1 3.88Å; T389-L429 HydrophobicContact CG2-CD2 3.87Å; L392-L429 HydrophobicContact CD1-CD1 4.2Å; L418-L429 HydrophobicContact CD2-CD2 4.15Å; L421-L429 HydrophobicContact CD1-CD2 3.99Å; Q425-L429 WeakPolarHBondContact O-CB 3.44Å; Q425-L429 PolarHBondContact O-N 3.06Å; L426-L429 PolarHBondContact O-N 3.35Å; Y427-L429 VanDerWaalsContact C-N 3.34Å; Y427-L429 PolarHBondContact O-N 3.07Å; L429-S431 VanDerWaalsContact C-N 3.29Å; L429-S431 PolarHBondContact O-N 3.18Å; L429-C432 WeakPolarHBondContact O-CB 3.41Å; L429-C432 PolarHBondContact O-N 3.14Å; L429-F433 HydrophobicContact CD1-CE2 4.05Å; L429-F433 VanDerWaalsContact O-CD2 3.28Å; L429-F433 WeakPolarHBondContact O-CD2 3.39Å; L429-L498 HydrophobicContact CD2-CD1 4.26Å
430A90.7Very high84Confident0 Ų043.8 Ų43.80%022%0.216CC..Hα-helixtrans-61.7-37.1178.400000112.3L426 Y427 C432 F433 L435 V436 I494 L498L426-A430 WeakPolarHBondContact O-CB 3.47Å; L426-A430 PolarHBondContact O-N 2.81Å; Y427-A430 PolarHBondContact O-N 2.76Å; A430-C432 VanDerWaalsContact C-N 3.3Å; A430-C432 PolarHBondContact O-N 2.95Å; A430-F433 PolarHBondContact O-N 3.05Å; A430-L435 HydrophobicContact CB-CB 4.43Å; A430-L435 PolarHBondContact O-N 2.77Å; A430-V436 HydrophobicContact CB-CG2 4.03Å; A430-I494 HydrophobicContact CB-CG2 3.97Å; A430-L498 HydrophobicContact CB-CD2 4.18Å
431S89.1Confident82.1Confident9 Ų946.6 Ų46.66%0.06322%0.224CC..Hα-helixtrans-65-30.9178.278.40000114Y427 Q428 L429 F433 G434 V436 L438Y427-S431 WeakPolarHBondContact O-CB 3.43Å; Y427-S431 PolarHBondContact O-N 3.32Å; Q428-S431 PolarHBondContact O-N 3.43Å; Q428-S431 PolarHBondContact O-OG 2.73Å; L429-S431 VanDerWaalsContact C-N 3.29Å; L429-S431 PolarHBondContact O-N 3.18Å; S431-F433 PolarHBondContact O-N 3.16Å; S431-G434 PolarHBondContact O-N 3.09Å; S431-V436 WeakPolarHBondContact CA-O 3.28Å; S431-L438 WeakPolarHBondContact OG-CD2 3.34Å
432C87.9Confident79.8Confident44 Ų4451.8 Ų51.830%0.29725%0.246SC..THydrogen-bonded Turntrans-64-19.3176.4-71.40000113.5Q428 L429 A430Q428-C432 PolarHBondContact O-N 3.12Å; Q428-C432 PolarHBondContact O-SG 2.93Å; L429-C432 WeakPolarHBondContact O-CB 3.41Å; L429-C432 PolarHBondContact O-N 3.14Å; A430-C432 VanDerWaalsContact C-N 3.3Å; A430-C432 PolarHBondContact O-N 2.95Å
433F90.6Very high77.9Confident20 Ų2052.5 Ų52.59%0.08825%0.249CC..THydrogen-bonded Turntrans-102.67.3177-63.3-75000113N384 L385 R388 L429 A430 S431 L435 F502N384-F433 HydrophobicContact CB-CE1 4.49Å; L385-F433 HydrophobicContact CB-CZ 4.41Å; L385-F433 HydrophobicContact CD1-CE2 3.79Å; L385-F433 HydrophobicContact CD1-CZ 4.04Å; R388-F433 HydrophobicContact CB-CE2 4.12Å; R388-F433 HydrophobicContact CB-CZ 3.75Å; R388-F433 HydrophobicContact CG-CE1 4.15Å; R388-F433 HydrophobicContact CG-CE2 4.23Å; R388-F433 HydrophobicContact CG-CZ 3.55Å; L429-F433 HydrophobicContact CD1-CE2 4.05Å; L429-F433 VanDerWaalsContact O-CD2 3.28Å; L429-F433 WeakPolarHBondContact O-CD2 3.39Å; A430-F433 PolarHBondContact O-N 3.05Å; S431-F433 PolarHBondContact O-N 3.16Å; F433-L435 HydrophobicContact CB-CD1 4.06Å; F433-L435 HydrophobicContact CB-CG 3.98Å; F433-L435 PolarHBondContact O-N 2.74Å; F433-F502 HydrophobicContact CD1-CE1 4.42Å; F433-F502 AromaticContact CD1-CZ 3.7Å; F433-F502 HydrophobicContact CD1-CZ 3.7Å; F433-F502 HydrophobicContact CD2-CE2 4.08Å; F433-F502 AromaticContact CD2-CZ 3.76Å; F433-F502 HydrophobicContact CD2-CZ 3.76Å; F433-F502 HydrophobicContact CE1-CE1 4.21Å; F433-F502 AromaticContact CE1-CZ 3.72Å; F433-F502 HydrophobicContact CE1-CZ 3.72Å; F433-F502 HydrophobicContact CE2-CE2 4.24Å; F433-F502 AromaticContact CE2-CZ 3.79Å; F433-F502 HydrophobicContact CE2-CZ 3.79Å; F433-F502 HydrophobicContact CG-CE2 4.33Å; F433-F502 AromaticContact CG-CZ 3.73Å; F433-F502 HydrophobicContact CG-CZ 3.73Å; F433-F502 HydrophobicContact CZ-CE1 4.43Å; F433-F502 AromaticContact CZ-CZ 3.78Å; F433-F502 HydrophobicContact CZ-CZ 3.78Å
434G87.1Confident75.6Confident2 Ų255 Ų552%0.02127%0.265CS..THydrogen-bonded Turntrans66.822-177.800000113.7Q224 S431Q224-G434 PolarHBondContact OE1-O 3.36Å; S431-G434 PolarHBondContact O-N 3.09Å
435L87.9Confident73.3Confident5 Ų557.7 Ų57.73%0.02628%0.28CS..SBendtrans-82.4-27.3177.6-58.8172.7000111.3H327 A430 F433 I497 L498 H501H327-L435 PolarHBondContact CE1-O 2.96Å; H327-L435 PolarHBondContact NE2-O 3.22Å; A430-L435 HydrophobicContact CB-CB 4.43Å; A430-L435 PolarHBondContact O-N 2.77Å; F433-L435 HydrophobicContact CB-CD1 4.06Å; F433-L435 HydrophobicContact CB-CG 3.98Å; F433-L435 PolarHBondContact O-N 2.74Å; L435-I497 HydrophobicContact CB-CG2 4.15Å; L435-I497 HydrophobicContact CD1-CG2 4.04Å; L435-I497 HydrophobicContact CG-CG2 4.5Å; L435-L498 HydrophobicContact CD1-CD2 4.09Å; L435-H501 HydrophobicContact CD1-CB 4.31Å
436V85.2Confident70.8Confident1 Ų162 Ų621%0.00630%0.304CS..SBendtrans-141.1144.8-178.7-170.30000110.7Q224 Y427 A430 S431 F488Q224-V436 VanDerWaalsContact OE1-C 3.26Å; Y427-V436 HydrophobicContact CD2-CG1 4.13Å; Y427-V436 HydrophobicContact CE1-CG1 4.15Å; Y427-V436 HydrophobicContact CE2-CB 4.46Å; Y427-V436 HydrophobicContact CE2-CG1 3.37Å; Y427-V436 WeakPolarHBondContact OH-CG1 3.46Å; A430-V436 HydrophobicContact CB-CG2 4.03Å; S431-V436 WeakPolarHBondContact CA-O 3.28Å; V436-F488 HydrophobicContact CG1-CB 3.96Å; V436-F488 HydrophobicContact CG1-CD2 3.86Å; V436-F488 HydrophobicContact CG1-CG 3.93Å; V436-F488 HydrophobicContact CG2-CD1 4.16Å; V436-F488 HydrophobicContact CG2-CG 4.22Å
437T75.9Confident68.3Low40 Ų4069.7 Ų69.725%0.24534%0.34CS..PPolyproline II helixtrans-73.1126.5177.7-430000112Y427 K439 E485Y427-T437 WeakPolarHBondContact CE1-O 3.33Å; Y427-T437 PolarHBondContact OH-O 3.19Å; T437-K439 PolarHBondContact O-N 3Å; T437-E485 PolarHBondContact OG1-OE2 3.15Å
438L66.2Low65.6Low77 Ų7777.5 Ų77.540%0.40338%0.377SS..PPolyproline II helixtrans-67.2123.7171.1-79.9160000110.7S431 K440S431-L438 WeakPolarHBondContact OG-CD2 3.34Å; L438-K440 PolarHBondContact O-N 2.97Å
439K60.7Low62.8Low91 Ų9180.6 Ų80.640%0.39640%0.396SS..PPolyproline II helixtrans-63.6134.2171.4-73.7-174.5173.1-177.20109.9T437 E441 F442 M489T437-K439 PolarHBondContact O-N 3Å; K439-E441 PolarHBondContact O-N 2.85Å; K439-E441 VanDerWaalsContact O-N 3.08Å; K439-F442 PolarHBondContact O-N 3.08Å; K439-M489 HydrophobicContact CD-CE 4.25Å
440K51.2Low59.9Low174 Ų17490.5 Ų90.576%0.75744%0.439SS*.Hα-helixtrans-55.6-26.6179-70.7-177.8177.3179.90113.7L438 F442 I443L438-K440 PolarHBondContact O-N 2.97Å; K440-F442 PolarHBondContact O-N 3.26Å; K440-I443 PolarHBondContact O-N 3.25Å; K440-I443 VanDerWaalsContact O-N 3.1Å
441E50.2Low56.8Low140 Ų14097.9 Ų97.965%0.65448%0.477SS*.Hα-helixtrans-61.1-26.7177.1-67.2170.4178.600113.4K439K439-E441 PolarHBondContact O-N 2.85Å; K439-E441 VanDerWaalsContact O-N 3.08Å
442F44Very low53.8Low109 Ų109104.7 Ų104.748%0.47851%0.513SS..Hα-helixtrans-83.4-20175.5-85.1-86.2000113.7K439 K440K439-F442 PolarHBondContact O-N 3.08Å; K440-F442 PolarHBondContact O-N 3.26Å
443I48.4Very low50.9Low82 Ų82109.2 Ų109.242%0.42153%0.534SS..Hα-helixtrans-73.5-37.2178.9-58.7175.7000109.7K440 N445 N446K440-I443 PolarHBondContact O-N 3.25Å; K440-I443 VanDerWaalsContact O-N 3.1Å; I443-N445 VanDerWaalsContact C-N 3.29Å; I443-N445 PolarHBondContact O-N 3.4Å; I443-N446 PolarHBondContact O-N 3.04Å
444Q39Very low47.9Very low160 Ų160115.1 Ų115.175%0.74857%0.572SS**Hα-helixtrans-67.4-24.9-179.6-70.1-178.3-6.500113.9
445N37.7Very low44.9Very low131 Ų131122 Ų12270%0.70161%0.609SS**Hα-helixtrans-88.6-13.3-179.8-74-16.4000114.2I443I443-N445 VanDerWaalsContact C-N 3.29Å; I443-N445 PolarHBondContact O-N 3.4Å
446N36Very low41.9Very low121 Ų121129.1 Ų129.165%0.64765%0.646SS**Hα-helixtrans-107.1-7.6-177.5-89.8-18.5000114.8I443 Q448I443-N446 PolarHBondContact O-N 3.04Å; N446-Q448 PolarHBondContact O-N 3.04Å; N446-Q448 VanDerWaalsContact O-N 3.16Å
447E39.8Very low39Very low163 Ų163134.9 Ų134.976%0.76269%0.685SS**THydrogen-bonded Turntrans-75.87.9178.2-77.8-170.3168.700114.9
448Q31.1Very low36.5Very low181 Ų181142.6 Ų142.685%0.84672%0.718SS**THydrogen-bonded Turntrans-87.32.6172-90.7172.5-5.600115.2N446N446-Q448 PolarHBondContact O-N 3.04Å; N446-Q448 VanDerWaalsContact O-N 3.16Å
449N29.2Very low34.5Very low143 Ų143146.3 Ų146.377%0.76574%0.738SS**SBendtrans-141.7120.5174.2-82.2-47.3000113.5
450K30Very low32.8Very low207 Ų207147.2 Ų147.290%0.975%0.753SS**  trans93.887.2167.1-60.6-173.2176-1760117.4
451I24.8Very low31.6Very low156 Ų156144.6 Ų144.680%0.875%0.754SS**  trans-60.1121.9142.9-62160.1000107.6
452D27.8Very low30.5Very low152 Ų152142.5 Ų142.581%0.81376%0.761SS**  trans-166.4138.3141.6-95-22.7000110
453D25.6Very low29.5Very low139 Ų139146.8 Ų146.874%0.74378%0.779SS**  trans-64.9134.1-161.9-66.8-58.6000114.7
454T27.3Very low28.4Very low144 Ų144153.7 Ų153.788%0.88380%0.8SS**  trans-159.8102.8141.79.20000109.7
455N24.4Very low27.8Very low147 Ų147153.3 Ų153.379%0.78680%0.801SS**  trans-61.1155.7169.6-79.5-42.3000111.9
456D25.5Very low27Very low153 Ų153158.5 Ų158.582%0.81881%0.811SS**  trans103.679.9165.7-61.9-19.3000117.6
457C24Very low26.7Very low122 Ų122157.6 Ų157.682%0.82482%0.815SS**  173.474.9129.3-90.30000110.3L459C457-L459 PolarHBondContact O-N 3.27Å
458Q22.6Very low25.9Very low202 Ų202156.5 Ų156.594%0.94481%0.814SS**  trans-81.794.6164.2-72.6-176-200109
459L24.9Very low25.8Very low155 Ų155154.6 Ų154.681%0.81281%0.81SS**PPolyproline II helixtrans-75131.8159.9-87.8141.7000108.3C457C457-L459 PolarHBondContact O-N 3.27Å
460P25.2Very low25.7Very low110 Ų110156.3 Ų156.371%0.71481%0.813SS**PPolyproline II helixtrans-67.8142.4-178.726.4-31.5000110.7A462P460-A462 PolarHBondContact O-N 3.33Å
461P26Very low25.6Very low120 Ų120154.1 Ų154.178%0.77981%0.811SS**PPolyproline II helixtrans-64.9130.2-179.626-31.7000109.8K463P461-K463 PolarHBondContact O-N 3.42Å
462A26.2Very low26Very low96 Ų96152.9 Ų152.979%0.79381%0.81SS**  trans-50.9111.6171.100000109P460 R464P460-A462 PolarHBondContact O-N 3.33Å; A462-R464 PolarHBondContact O-N 3.07Å
463K23.8Very low26.2Very low198 Ų198153.9 Ų153.986%0.86182%0.816SS**  trans-59.3102.3173-74.2177.9176.6177.90107.4P461 I465P461-K463 PolarHBondContact O-N 3.42Å; K463-I465 PolarHBondContact O-N 3.04Å
464R25.3Very low27Very low227 Ų227156.1 Ų156.186%0.85782%0.822SS**  trans-60.3107.3161.5-74.3-175.8176.4-173.5-4.1106.2A462 R466A462-R464 PolarHBondContact O-N 3.07Å; R464-R466 PolarHBondContact O-N 3.31Å
465I25.8Very low28.3Very low152 Ų152152.3 Ų152.378%0.77979%0.793SS**  trans-61.2106.4174.1-64.6170000106.1K463 S467K463-I465 PolarHBondContact O-N 3.04Å; I465-S467 PolarHBondContact O-N 3.17Å
466R21.9Very low30.2Very low240 Ų240149.5 Ų149.591%0.90678%0.778SS**  trans-8591.1160.7-71.9-176.8177.4-178.3-2.1105.5R464R464-R466 PolarHBondContact O-N 3.31Å
467S29.4Very low32.1Very low103 Ų103143.3 Ų143.372%0.7275%0.745SS**  trans-73.7121.8163.341.10000107.6I465I465-S467 PolarHBondContact O-N 3.17Å
468N24Very low34.2Very low139 Ų139141.6 Ų141.674%0.74373%0.727SS**  trans-67.1161.6166.6-80.5-15.7000110.3
469D28.2Very low36.7Very low142 Ų142133.6 Ų133.676%0.75969%0.694SS**  trans90.194.7160.2-57.5-26.7000117
470Q27.5Very low39.3Very low179 Ų179126.3 Ų126.384%0.83666%0.656SS**  trans33.492.7132.6-64-179-10.600116.2
471D27.5Very low42Very low160 Ų160123.3 Ų123.386%0.85663%0.63SS**  trans-166.6129.5142.5-89.7-36000109.4
472V32.1Very low44.5Very low130 Ų130122.5 Ų122.579%0.78862%0.619SS**  trans32.1117.8162.5-167.80000117.7E474V472-E474 VanDerWaalsContact C-N 3.33Å; V472-E474 PolarHBondContact O-N 2.62Å
473D33.8Very low46.9Very low174 Ų174121.8 Ų121.893%0.9360%0.598SS**  trans-38.882.1174.5-73.7-46000114.4F475D473-F475 PolarHBondContact O-N 3.05Å
474E42.5Very low49.6Very low185 Ų185113 Ų11386%0.86456%0.56SS**  trans-77.8120176.4-158.1176.4-155.600107.5V472 D476V472-E474 VanDerWaalsContact C-N 3.33Å; V472-E474 PolarHBondContact O-N 2.62Å; E474-D476 PolarHBondContact O-N 2.89Å
475F52.6Low52Low64 Ų64103.9 Ų103.928%0.28153%0.528SS..  trans-59.8104-178.2-176.5-91000110.3P140 L143 L149 D473 L477 L480P140-F475 HydrophobicContact CB-CB 4.06Å; P140-F475 HydrophobicContact CB-CD1 4.16Å; P140-F475 HydrophobicContact CB-CG 4.04Å; P140-F475 HydrophobicContact CG-CB 3.77Å; P140-F475 HydrophobicContact CG-CD1 3.75Å; P140-F475 HydrophobicContact CG-CG 3.92Å; L143-F475 HydrophobicContact CD1-CE1 3.92Å; L143-F475 HydrophobicContact CD1-CZ 4.05Å; L149-F475 HydrophobicContact CD1-CE2 4.25Å; L149-F475 HydrophobicContact CD2-CE2 3.84Å; L149-F475 HydrophobicContact CD2-CZ 4.33Å; D473-F475 PolarHBondContact O-N 3.05Å; F475-L477 HydrophobicContact CD1-CD2 4.29Å; F475-L477 HydrophobicContact CE1-CD2 4.22Å; F475-L477 PolarHBondContact O-N 3.3Å; F475-L480 HydrophobicContact CE1-CD1 4.17Å; F475-L480 HydrophobicContact CE1-CD2 4.06Å; F475-L480 HydrophobicContact CE1-CG 4.05Å; F475-L480 HydrophobicContact CZ-CD2 3.91Å; F475-L480 HydrophobicContact CZ-CG 4.39Å
476D64.9Low54.2Low89 Ų8999.2 Ų99.248%0.47651%0.512SS..  trans-69.899.7-179.2-175.110.5000110.6E474 N478 S479E474-D476 PolarHBondContact O-N 2.89Å; D476-N478 PolarHBondContact O-N 3.3Å; D476-N478 VanDerWaalsContact O-N 3.12Å; D476-N478 VanDerWaalsContact OD1-CB 3.23Å; D476-N478 WeakPolarHBondContact OD1-CB 3.35Å; D476-N478 VanDerWaalsContact OD1-CG 3.3Å; D476-N478 PolarHBondContact OD1-N 3.2Å; D476-N478 PolarHBondContact OD1-ND2 3.01Å; D476-S479 VanDerWaalsContact O-CB 3.27Å; D476-S479 WeakPolarHBondContact O-CB 3.5Å; D476-S479 PolarHBondContact O-N 3.21Å; D476-S479 PolarHBondContact O-OG 3.33Å
477L66.2Low56.5Low23 Ų2391.4 Ų91.412%0.1249%0.485CS..THydrogen-bonded Turntrans-54.1-26.5173.9-75.3170.4000112.4L136 V274 F475 S479 L480L136-L477 HydrophobicContact CB-CD1 4.32Å; L136-L477 HydrophobicContact CD2-CD1 4.44Å; V274-L477 HydrophobicContact CG2-CD2 3.76Å; F475-L477 HydrophobicContact CD1-CD2 4.29Å; F475-L477 HydrophobicContact CE1-CD2 4.22Å; F475-L477 PolarHBondContact O-N 3.3Å; L477-S479 PolarHBondContact O-N 2.92Å; L477-L480 HydrophobicContact CD2-CD1 3.58Å; L477-L480 WeakPolarHBondContact O-CB 3.38Å; L477-L480 PolarHBondContact O-N 3.46Å; L477-L480 VanDerWaalsContact O-N 3.09Å
478N68.1Low58.2Low85 Ų8587 Ų8746%0.45545%0.452SS..Hα-helixtrans-64.8-25.7176.9-54.3-58.3000111.8R270 D476 L480 R481R270-N478 PolarHBondContact NH2-OD1 3.02Å; D476-N478 PolarHBondContact O-N 3.3Å; D476-N478 VanDerWaalsContact O-N 3.12Å; D476-N478 VanDerWaalsContact OD1-CB 3.23Å; D476-N478 WeakPolarHBondContact OD1-CB 3.35Å; D476-N478 VanDerWaalsContact OD1-CG 3.3Å; D476-N478 PolarHBondContact OD1-N 3.2Å; D476-N478 PolarHBondContact OD1-ND2 3.01Å; N478-L480 VanDerWaalsContact C-N 3.27Å; N478-L480 PolarHBondContact O-N 3.4Å; N478-R481 PolarHBondContact O-N 3.12Å
479S75.5Confident60.1Low34 Ų3482.8 Ų82.824%0.23843%0.429CS..Hα-helixtrans-68.9-21.9175.176.50000113.6D476 L477 R481 D482 K483D476-S479 VanDerWaalsContact O-CB 3.27Å; D476-S479 WeakPolarHBondContact O-CB 3.5Å; D476-S479 PolarHBondContact O-N 3.21Å; D476-S479 PolarHBondContact O-OG 3.33Å; L477-S479 PolarHBondContact O-N 2.92Å; S479-R481 VanDerWaalsContact C-N 3.34Å; S479-D482 PolarHBondContact O-N 3.28Å; S479-K483 WeakPolarHBondContact O-CG 3.4Å; S479-K483 PolarHBondContact O-N 3.15Å; S479-K483 VanDerWaalsContact O-N 3.1Å
480L79Confident62.6Low3 Ų379.2 Ų79.22%0.01641%0.41CS..Hα-helixtrans-64-42177.9-71178.2000111.2L143 D273 V274 T277 F475 L477 N478 D482 K483 L484L143-L480 HydrophobicContact CD1-CD1 3.94Å; L143-L480 HydrophobicContact CD1-CD2 4.25Å; D273-L480 HydrophobicContact CB-CB 4.26Å; V274-L480 HydrophobicContact CG2-CD1 3.93Å; T277-L480 HydrophobicContact CG2-CD2 4.14Å; F475-L480 HydrophobicContact CE1-CD1 4.17Å; F475-L480 HydrophobicContact CE1-CD2 4.06Å; F475-L480 HydrophobicContact CE1-CG 4.05Å; F475-L480 HydrophobicContact CZ-CD2 3.91Å; F475-L480 HydrophobicContact CZ-CG 4.39Å; L477-L480 HydrophobicContact CD2-CD1 3.58Å; L477-L480 WeakPolarHBondContact O-CB 3.38Å; L477-L480 PolarHBondContact O-N 3.46Å; L477-L480 VanDerWaalsContact O-N 3.09Å; N478-L480 VanDerWaalsContact C-N 3.27Å; N478-L480 PolarHBondContact O-N 3.4Å; L480-D482 PolarHBondContact O-N 2.82Å; L480-K483 WeakPolarHBondContact O-CB 3.42Å; L480-K483 PolarHBondContact O-N 2.96Å; L480-L484 WeakPolarHBondContact O-CG 3.26Å; L480-L484 PolarHBondContact O-N 3.47Å
481R81.2Confident65.5Low47 Ų4774.5 Ų74.518%0.17739%0.387CS..Hα-helixtrans-59.6-47.5176.6-177.7178174.2160.19.8111H222 Q224 D325 N478 S479 K483 L484 E485H222-R481 PolarHBondContact O-NH1 3.14Å; Q224-R481 VanDerWaalsContact CG-NH2 3.32Å; D325-R481 IonicContact OD2-NH2 3.78Å; N478-R481 PolarHBondContact O-N 3.12Å; S479-R481 VanDerWaalsContact C-N 3.34Å; R481-K483 VanDerWaalsContact C-N 3.25Å; R481-K483 PolarHBondContact O-N 3.31Å; R481-L484 PolarHBondContact O-N 2.84Å; R481-E485 HydrophobicContact CG-CG 4.3Å; R481-E485 IonicContact CZ-OE1 3.39Å; R481-E485 IonicContact NE-OE1 2.67Å; R481-E485 PolarHBondContact NE-OE1 3.24Å; R481-E485 IonicContact NH2-OE1 3.85Å; R481-E485 PolarHBondContact NH2-OE1 3.41Å; R481-E485 WeakPolarHBondContact O-CB 3.34Å; R481-E485 WeakPolarHBondContact O-CG 3.38Å; R481-E485 PolarHBondContact O-N 3.02Å
482D78.3Confident68.4Low102 Ų10269 Ų6955%0.54536%0.357SS..Hα-helixtrans-59.8-37.4178.1-69.7-20.6000111.6S479 L480 E485 A486S479-D482 PolarHBondContact O-N 3.28Å; L480-D482 PolarHBondContact O-N 2.82Å; D482-E485 PolarHBondContact O-N 3.31Å; D482-A486 PolarHBondContact O-N 3.25Å
483K77Confident71.1Confident81 Ų8162.9 Ų62.935%0.35232%0.32SS..Hα-helixtrans-69.3-41175.3-70.7172.2-176.4172.30113S479 L480 R481 E485 A486S479-K483 WeakPolarHBondContact O-CG 3.4Å; S479-K483 PolarHBondContact O-N 3.15Å; S479-K483 VanDerWaalsContact O-N 3.1Å; L480-K483 WeakPolarHBondContact O-CB 3.42Å; L480-K483 PolarHBondContact O-N 2.96Å; R481-K483 VanDerWaalsContact C-N 3.25Å; R481-K483 PolarHBondContact O-N 3.31Å; K483-E485 VanDerWaalsContact C-N 3.34Å; K483-A486 WeakPolarHBondContact O-CB 3.22Å; K483-A486 PolarHBondContact O-N 2.63Å
484L80.5Confident73.8Confident13 Ų1354.6 Ų54.67%0.06828%0.276CS..Hα-helixtrans-65.9-40.8174.1-71.3169.1000110.5D273 L276 Y331 L480 R481 A486 K487D273-L484 HydrophobicContact CB-CD1 3.92Å; L276-L484 HydrophobicContact CB-CD1 3.89Å; L276-L484 HydrophobicContact CB-CD2 3.93Å; L276-L484 HydrophobicContact CD1-CD1 4.15Å; Y331-L484 PolarHBondContact OH-O 3.06Å; L480-L484 WeakPolarHBondContact O-CG 3.26Å; L480-L484 PolarHBondContact O-N 3.47Å; R481-L484 PolarHBondContact O-N 2.84Å; L484-A486 VanDerWaalsContact C-N 3.28Å; L484-A486 PolarHBondContact O-N 3.49Å; L484-K487 WeakPolarHBondContact O-CB 3.33Å; L484-K487 PolarHBondContact O-N 3.38Å
485E75.3Confident76.2Confident36 Ų3646 Ų4617%0.16824%0.236CC..Hα-helixtrans-63.9-32.8175.9-75-170.2-167.900111.9T437 R481 D482 K483 K487 F488T437-E485 PolarHBondContact OG1-OE2 3.15Å; R481-E485 HydrophobicContact CG-CG 4.3Å; R481-E485 IonicContact CZ-OE1 3.39Å; R481-E485 IonicContact NE-OE1 2.67Å; R481-E485 PolarHBondContact NE-OE1 3.24Å; R481-E485 IonicContact NH2-OE1 3.85Å; R481-E485 PolarHBondContact NH2-OE1 3.41Å; R481-E485 WeakPolarHBondContact O-CB 3.34Å; R481-E485 WeakPolarHBondContact O-CG 3.38Å; R481-E485 PolarHBondContact O-N 3.02Å; D482-E485 PolarHBondContact O-N 3.31Å; K483-E485 VanDerWaalsContact C-N 3.34Å; E485-K487 PolarHBondContact O-N 3.42Å; E485-F488 VanDerWaalsContact CA-CD2 3.47Å; E485-F488 HydrophobicContact CB-CD2 4.05Å; E485-F488 HydrophobicContact CB-CE2 4.28Å; E485-F488 HydrophobicContact CG-CD2 4.09Å; E485-F488 HydrophobicContact CG-CE2 3.86Å; E485-F488 VanDerWaalsContact O-CB 3.3Å; E485-F488 WeakPolarHBondContact O-CB 3.44Å; E485-F488 WeakPolarHBondContact O-CD2 3.35Å; E485-F488 PolarHBondContact O-N 3.23Å
486A72.2Confident78Confident55 Ų5546.4 Ų46.446%0.45524%0.236SC..Hα-helixtrans-60.2-26.5172.700000113.2D482 K483 L484 F488 M489D482-A486 PolarHBondContact O-N 3.25Å; K483-A486 WeakPolarHBondContact O-CB 3.22Å; K483-A486 PolarHBondContact O-N 2.63Å; L484-A486 VanDerWaalsContact C-N 3.28Å; L484-A486 PolarHBondContact O-N 3.49Å; A486-F488 VanDerWaalsContact C-N 3.27Å; A486-F488 PolarHBondContact O-N 3.15Å; A486-M489 WeakPolarHBondContact O-CB 3.18Å; A486-M489 VanDerWaalsContact O-CG 3.23Å; A486-M489 WeakPolarHBondContact O-CG 3.3Å; A486-M489 PolarHBondContact O-N 2.9Å
487K69.9Low79.4Confident75 Ų7542.3 Ų42.333%0.32621%0.213SC..G310 helixtrans-73.2-13.3173.7-68.3-164.3176.7-161.70113.7N280 L484 E485 M489 D490N280-K487 PolarHBondContact OD1-NZ 2.8Å; L484-K487 WeakPolarHBondContact O-CB 3.33Å; L484-K487 PolarHBondContact O-N 3.38Å; E485-K487 PolarHBondContact O-N 3.42Å; K487-M489 PolarHBondContact O-N 3.19Å; K487-D490 PolarHBondContact O-N 3.39Å
488F66.3Low80.7Confident10 Ų1041.2 Ų41.24%0.04421%0.208CC..G310 helixtrans-641.4168.9-66.7-57.4000113.1H327 Y331 Y427 V436 E485 A486 D490 L493 I494 I497H327-F488 AromaticContact CD2-CE1 3.71Å; H327-F488 AromaticContact CD2-CZ 3.51Å; Y331-F488 HydrophobicContact CE2-CE1 4.35Å; Y331-F488 HydrophobicContact CE2-CZ 4.35Å; Y427-F488 HydrophobicContact CD2-CB 4.44Å; Y427-F488 HydrophobicContact CE2-CB 3.89Å; V436-F488 HydrophobicContact CG1-CB 3.96Å; V436-F488 HydrophobicContact CG1-CD2 3.86Å; V436-F488 HydrophobicContact CG1-CG 3.93Å; V436-F488 HydrophobicContact CG2-CD1 4.16Å; V436-F488 HydrophobicContact CG2-CG 4.22Å; E485-F488 VanDerWaalsContact CA-CD2 3.47Å; E485-F488 HydrophobicContact CB-CD2 4.05Å; E485-F488 HydrophobicContact CB-CE2 4.28Å; E485-F488 HydrophobicContact CG-CD2 4.09Å; E485-F488 HydrophobicContact CG-CE2 3.86Å; E485-F488 VanDerWaalsContact O-CB 3.3Å; E485-F488 WeakPolarHBondContact O-CB 3.44Å; E485-F488 WeakPolarHBondContact O-CD2 3.35Å; E485-F488 PolarHBondContact O-N 3.23Å; A486-F488 VanDerWaalsContact C-N 3.27Å; A486-F488 PolarHBondContact O-N 3.15Å; F488-D490 VanDerWaalsContact C-N 3.3Å; F488-L493 HydrophobicContact CD1-CD2 4.24Å; F488-I494 WeakPolarHBondContact O-CD1 3.35Å; F488-I494 WeakPolarHBondContact O-CG1 3.33Å; F488-I497 HydrophobicContact CD1-CD1 3.73Å; F488-I497 HydrophobicContact CE1-CD1 3.45Å; F488-I497 VanDerWaalsContact CE1-CD1 3.45Å
489M64.4Low81.9Confident51 Ų5138 Ų3825%0.25119%0.191SC..G310 helixtrans-81.2-2.7166.7-57.7-65.5139.200113.5R423 Y427 K439 A486 K487 K491R423-M489 WeakPolarHBondContact CD-O 3.36Å; Y427-M489 HydrophobicContact CD2-CE 4.05Å; Y427-M489 HydrophobicContact CE2-CE 3.5Å; Y427-M489 VanDerWaalsContact CE2-CE 3.5Å; K439-M489 HydrophobicContact CD-CE 4.25Å; A486-M489 WeakPolarHBondContact O-CB 3.18Å; A486-M489 VanDerWaalsContact O-CG 3.23Å; A486-M489 WeakPolarHBondContact O-CG 3.3Å; A486-M489 PolarHBondContact O-N 2.9Å; K487-M489 PolarHBondContact O-N 3.19Å; M489-K491 PolarHBondContact O-N 3.49Å
490D80Confident82.7Confident68 Ų6838 Ų3836%0.36419%0.186SC..  trans-82.4115.4172.9-178.2-13.1000111.1K334 K487 F488 D492 L493 I494K334-D490 IonicContact NZ-OD2 3.25Å; K334-D490 PolarHBondContact NZ-OD2 2.59Å; K487-D490 PolarHBondContact O-N 3.39Å; F488-D490 VanDerWaalsContact C-N 3.3Å; D490-D492 VanDerWaalsContact C-N 3.32Å; D490-D492 PolarHBondContact O-N 3.43Å; D490-D492 PolarHBondContact OD1-N 2.86Å; D490-L493 HydrophobicContact CB-CB 3.95Å; D490-L493 WeakPolarHBondContact O-CB 3.4Å; D490-L493 PolarHBondContact O-N 3.1Å; D490-L493 VanDerWaalsContact O-N 3.11Å; D490-I494 WeakPolarHBondContact O-CG1 3.07Å; D490-I494 PolarHBondContact O-N 3.36Å; D490-I494 VanDerWaalsContact O-N 3.13Å
491K87.5Confident83.3Confident80 Ų8039.7 Ų39.735%0.34819%0.194SC..Hα-helixtrans-53.4-42.9178.7178.6172.7173.8170.30112.9S419 L421 L426 M489 L493 I495S419-K491 PolarHBondContact O-NZ 3.49Å; L421-K491 VanDerWaalsContact O-CE 3.24Å; L421-K491 WeakPolarHBondContact O-CE 3.35Å; L421-K491 PolarHBondContact O-NZ 2.79Å; L426-K491 HydrophobicContact CD1-CD 4.29Å; L426-K491 HydrophobicContact CD1-CG 3.72Å; M489-K491 PolarHBondContact O-N 3.49Å; K491-L493 VanDerWaalsContact C-N 3.34Å; K491-I495 HydrophobicContact CG-CD1 3.96Å; K491-I495 VanDerWaalsContact O-CG1 3.3Å; K491-I495 WeakPolarHBondContact O-CG1 3.5Å; K491-I495 PolarHBondContact O-N 2.85Å; K491-I495 VanDerWaalsContact O-N 3.12Å
492D88.4Confident83.9Confident43 Ų4337.6 Ų37.623%0.2319%0.187CC..Hα-helixtrans-70.2-34-178.8-175.963.2000111.4R415 D490 I495 R496R415-D492 IonicContact CZ-OD1 2.77Å; R415-D492 IonicContact NH1-OD1 3.71Å; R415-D492 PolarHBondContact NH1-OD1 2.97Å; R415-D492 IonicContact NH2-OD1 3.64Å; R415-D492 PolarHBondContact NH2-OD1 3.32Å; D490-D492 VanDerWaalsContact C-N 3.32Å; D490-D492 PolarHBondContact O-N 3.43Å; D490-D492 PolarHBondContact OD1-N 2.86Å; D492-I495 PolarHBondContact O-N 3.28Å; D492-R496 WeakPolarHBondContact O-CG 3.42Å; D492-R496 PolarHBondContact O-N 3.37Å; D492-R496 IonicContact OD1-NE 2.88Å; D492-R496 IonicContact OD2-CZ 2.76Å; D492-R496 IonicContact OD2-NE 3.41Å; D492-R496 PolarHBondContact OD2-NE 2.89Å; D492-R496 IonicContact OD2-NH2 2.8Å; D492-R496 PolarHBondContact OD2-NH2 3.34Å; D492-R496 VanDerWaalsContact OD2-NH2 3.16Å
493L88.8Confident84.6Confident2 Ų233.6 Ų33.61%0.0117%0.167CC..Hα-helixtrans-64.2-47.4176-175.959.9000111.3V330 Y331 K334 F488 D490 K491 I495 R496 I497V330-L493 HydrophobicContact CG1-CD1 4.09Å; Y331-L493 HydrophobicContact CE1-CD1 4.44Å; Y331-L493 HydrophobicContact CE1-CD2 3.87Å; K334-L493 HydrophobicContact CD-CD1 3.95Å; F488-L493 HydrophobicContact CD1-CD2 4.24Å; D490-L493 HydrophobicContact CB-CB 3.95Å; D490-L493 WeakPolarHBondContact O-CB 3.4Å; D490-L493 PolarHBondContact O-N 3.1Å; D490-L493 VanDerWaalsContact O-N 3.11Å; K491-L493 VanDerWaalsContact C-N 3.34Å; L493-I495 VanDerWaalsContact C-N 3.31Å; L493-I495 PolarHBondContact O-N 2.95Å; L493-R496 PolarHBondContact O-N 3.08Å; L493-R496 VanDerWaalsContact O-N 3.15Å; L493-I497 HydrophobicContact CD1-CD1 4.32Å; L493-I497 HydrophobicContact CG-CD1 3.96Å; L493-I497 WeakPolarHBondContact O-CG1 3.47Å; L493-I497 PolarHBondContact O-N 2.82Å
494I90.2Very high85.2Confident0 Ų034.8 Ų34.80%017%0.17CC..Hα-helixtrans-61.2-42.5178.3-53.1168.9000110.6R423 L426 Y427 A430 F488 D490 R496 I497 L498R423-I494 HydrophobicContact CG-CD1 4.35Å; L426-I494 HydrophobicContact CB-CB 4.35Å; L426-I494 HydrophobicContact CB-CD1 4.2Å; L426-I494 HydrophobicContact CB-CG2 3.83Å; Y427-I494 HydrophobicContact CD2-CD1 4.26Å; A430-I494 HydrophobicContact CB-CG2 3.97Å; F488-I494 WeakPolarHBondContact O-CD1 3.35Å; F488-I494 WeakPolarHBondContact O-CG1 3.33Å; D490-I494 WeakPolarHBondContact O-CG1 3.07Å; D490-I494 PolarHBondContact O-N 3.36Å; D490-I494 VanDerWaalsContact O-N 3.13Å; I494-R496 VanDerWaalsContact C-N 3.33Å; I494-R496 PolarHBondContact O-N 3.14Å; I494-I497 PolarHBondContact O-N 3.47Å; I494-L498 HydrophobicContact CG2-CD1 4.1Å; I494-L498 HydrophobicContact CG2-CG 4.41Å; I494-L498 WeakPolarHBondContact O-CG 3.42Å; I494-L498 PolarHBondContact O-N 3.36Å
495I93Very high85.3Confident6 Ų639.2 Ų39.23%0.03119%0.186CC..Hα-helixtrans-59.7-44.5176.2-71.1170000110.5R415 L426 K491 D492 L493 L498 I499R415-I495 HydrophobicContact CG-CG2 4.38Å; L426-I495 HydrophobicContact CD1-CD1 4.07Å; L426-I495 HydrophobicContact CD1-CG1 3.8Å; L426-I495 HydrophobicContact CD2-CG1 4.19Å; K491-I495 HydrophobicContact CG-CD1 3.96Å; K491-I495 VanDerWaalsContact O-CG1 3.3Å; K491-I495 WeakPolarHBondContact O-CG1 3.5Å; K491-I495 PolarHBondContact O-N 2.85Å; K491-I495 VanDerWaalsContact O-N 3.12Å; D492-I495 PolarHBondContact O-N 3.28Å; L493-I495 VanDerWaalsContact C-N 3.31Å; L493-I495 PolarHBondContact O-N 2.95Å; I495-L498 PolarHBondContact O-N 3.18Å; I495-I499 HydrophobicContact CG2-CD1 3.54Å; I495-I499 HydrophobicContact CG2-CG1 4.28Å; I495-I499 WeakPolarHBondContact O-CB 3.5Å; I495-I499 WeakPolarHBondContact O-CD1 3.44Å; I495-I499 WeakPolarHBondContact O-CG1 3.46Å; I495-I499 PolarHBondContact O-N 3.27Å
496R91.9Very high85.4Confident72 Ų7243.6 Ų43.627%0.27221%0.206SC..Hα-helixtrans-63.4-41176.8-72.5178.9-167.7-135.81.2112.5V330 D492 L493 I494 I499 H500V330-R496 HydrophobicContact CG1-CB 3.78Å; D492-R496 WeakPolarHBondContact O-CG 3.42Å; D492-R496 PolarHBondContact O-N 3.37Å; D492-R496 IonicContact OD1-NE 2.88Å; D492-R496 IonicContact OD2-CZ 2.76Å; D492-R496 IonicContact OD2-NE 3.41Å; D492-R496 PolarHBondContact OD2-NE 2.89Å; D492-R496 IonicContact OD2-NH2 2.8Å; D492-R496 PolarHBondContact OD2-NH2 3.34Å; D492-R496 VanDerWaalsContact OD2-NH2 3.16Å; L493-R496 PolarHBondContact O-N 3.08Å; L493-R496 VanDerWaalsContact O-N 3.15Å; I494-R496 VanDerWaalsContact C-N 3.33Å; I494-R496 PolarHBondContact O-N 3.14Å; R496-I499 PolarHBondContact O-N 2.89Å; R496-H500 WeakPolarHBondContact O-CB 3.49Å; R496-H500 PolarHBondContact O-N 3.46Å
497I92.7Very high85.8Confident2 Ų242.4 Ų42.41%0.0119%0.194CC..Hα-helixtrans-61.4-46.7176.5-69.7165.8000110.7H327 V330 L435 F488 L493 I494 H500 H501H327-I497 HydrophobicContact CB-CG1 4.46Å; H327-I497 VanDerWaalsContact CE1-CG2 3.46Å; H327-I497 WeakPolarHBondContact CE1-CG2 3.24Å; H327-I497 WeakPolarHBondContact ND1-CG2 3.48Å; V330-I497 HydrophobicContact CB-CG1 4.46Å; V330-I497 HydrophobicContact CG1-CG1 3.98Å; V330-I497 HydrophobicContact CG2-CG1 4.49Å; L435-I497 HydrophobicContact CB-CG2 4.15Å; L435-I497 HydrophobicContact CD1-CG2 4.04Å; L435-I497 HydrophobicContact CG-CG2 4.5Å; F488-I497 HydrophobicContact CD1-CD1 3.73Å; F488-I497 HydrophobicContact CE1-CD1 3.45Å; F488-I497 VanDerWaalsContact CE1-CD1 3.45Å; L493-I497 HydrophobicContact CD1-CD1 4.32Å; L493-I497 HydrophobicContact CG-CD1 3.96Å; L493-I497 WeakPolarHBondContact O-CG1 3.47Å; L493-I497 PolarHBondContact O-N 2.82Å; I494-I497 PolarHBondContact O-N 3.47Å; I497-H500 WeakPolarHBondContact O-CB 3.41Å; I497-H500 PolarHBondContact O-N 2.99Å; I497-H501 PolarHBondContact O-N 3.41Å
498L93.9Very high86.3Confident0 Ų042.1 Ų42.10%019%0.194CC..Hα-helixtrans-62.8-45176.1-70.7170.4000111.3L418 L426 L429 A430 L435 I494 I495 H500 H501 F502L418-L498 HydrophobicContact CD1-CB 3.81Å; L418-L498 HydrophobicContact CD1-CD1 4.23Å; L418-L498 HydrophobicContact CD2-CD1 4.43Å; L426-L498 HydrophobicContact CD2-CD1 3.77Å; L429-L498 HydrophobicContact CD2-CD1 4.26Å; A430-L498 HydrophobicContact CB-CD2 4.18Å; L435-L498 HydrophobicContact CD1-CD2 4.09Å; I494-L498 HydrophobicContact CG2-CD1 4.1Å; I494-L498 HydrophobicContact CG2-CG 4.41Å; I494-L498 WeakPolarHBondContact O-CG 3.42Å; I494-L498 PolarHBondContact O-N 3.36Å; I495-L498 PolarHBondContact O-N 3.18Å; L498-H500 VanDerWaalsContact C-N 3.34Å; L498-H500 PolarHBondContact O-N 2.83Å; L498-H501 PolarHBondContact O-N 3.23Å; L498-F502 HydrophobicContact CD2-CD2 4.26Å; L498-F502 HydrophobicContact CD2-CE2 3.88Å; L498-F502 WeakPolarHBondContact O-CB 3.41Å; L498-F502 WeakPolarHBondContact O-CD2 3.2Å; L498-F502 PolarHBondContact O-N 3.31Å
499I94.1Very high87Confident19 Ų1943.5 Ų43.510%0.09720%0.202CC..Hα-helixtrans-60.2-45.5176-71.1167000110.7A411 L414 R415 L418 I495 R496 H501 F502 A503A411-I499 HydrophobicContact CB-CG2 3.64Å; L414-I499 HydrophobicContact CB-CG1 3.93Å; R415-I499 HydrophobicContact CB-CD1 3.69Å; R415-I499 HydrophobicContact CG-CD1 4.33Å; L418-I499 HydrophobicContact CD1-CG1 4.48Å; I495-I499 HydrophobicContact CG2-CD1 3.54Å; I495-I499 HydrophobicContact CG2-CG1 4.28Å; I495-I499 WeakPolarHBondContact O-CB 3.5Å; I495-I499 WeakPolarHBondContact O-CD1 3.44Å; I495-I499 WeakPolarHBondContact O-CG1 3.46Å; I495-I499 PolarHBondContact O-N 3.27Å; R496-I499 PolarHBondContact O-N 2.89Å; I499-H501 VanDerWaalsContact C-N 3.25Å; I499-H501 PolarHBondContact O-N 3.07Å; I499-F502 PolarHBondContact O-N 2.98Å; I499-A503 HydrophobicContact CG2-CB 4.1Å; I499-A503 WeakPolarHBondContact O-CB 3.43Å; I499-A503 PolarHBondContact O-N 2.83Å
500H92.3Very high87.9Confident32 Ų3246.3 Ų46.315%0.14821%0.214CC..Hα-helixtrans-58.2-39.4179.8-173.875.5000112.4V330 H358 R496 I497 L498V330-H500 HydrophobicContact CG2-CB 3.6Å; V330-H500 VanDerWaalsContact CG2-CG 3.41Å; H358-H500 AromaticContact CE1-CE1 3.06Å; H358-H500 PolarHBondContact CE1-CE1 2.88Å; H358-H500 AromaticContact CE1-NE2 3.26Å; H358-H500 PolarHBondContact CE1-NE2 2.93Å; H358-H500 VanDerWaalsContact CE1-NE2 3.26Å; H358-H500 AromaticContact NE2-CE1 3.33Å; H358-H500 PolarHBondContact NE2-CE1 2.99Å; H358-H500 VanDerWaalsContact NE2-CE1 3.33Å; H358-H500 AromaticContact NE2-NE2 3.1Å; H358-H500 PolarHBondContact NE2-NE2 3.4Å; R496-H500 WeakPolarHBondContact O-CB 3.49Å; R496-H500 PolarHBondContact O-N 3.46Å; I497-H500 WeakPolarHBondContact O-CB 3.41Å; I497-H500 PolarHBondContact O-N 2.99Å; L498-H500 VanDerWaalsContact C-N 3.34Å; L498-H500 PolarHBondContact O-N 2.83Å
501H91Very high88.2Confident39 Ų3948.5 Ų48.518%0.18122%0.218CC..Hα-helixtrans-80.3-32.7-178.7-162.883.7000113.7L435 I497 L498 I499L435-H501 HydrophobicContact CD1-CB 4.31Å; I497-H501 PolarHBondContact O-N 3.41Å; L498-H501 PolarHBondContact O-N 3.23Å; I499-H501 VanDerWaalsContact C-N 3.25Å; I499-H501 PolarHBondContact O-N 3.07Å
502F94.2Very high88.2Confident4 Ų445 Ų452%0.01820%0.203CC..Hα-helixtrans-111.6-14.4-170.3-67.1-70.6000115.7H378 K381 L385 L414 F433 L498 I499H378-F502 PolarHBondContact CE1-O 3.4Å; H378-F502 VanDerWaalsContact CE1-O 3.26Å; K381-F502 HydrophobicContact CB-CD1 4.48Å; L385-F502 HydrophobicContact CB-CD1 3.88Å; L385-F502 HydrophobicContact CB-CE1 3.72Å; L385-F502 HydrophobicContact CB-CG 4.39Å; L385-F502 HydrophobicContact CB-CZ 4.1Å; L385-F502 HydrophobicContact CD1-CD2 4.21Å; L385-F502 HydrophobicContact CD1-CE1 4.47Å; L385-F502 HydrophobicContact CD1-CE2 3.87Å; L385-F502 HydrophobicContact CD1-CZ 4.01Å; L385-F502 HydrophobicContact CD2-CB 3.9Å; L385-F502 HydrophobicContact CD2-CD1 3.92Å; L385-F502 HydrophobicContact CD2-CD2 3.73Å; L385-F502 HydrophobicContact CD2-CE1 4.38Å; L385-F502 HydrophobicContact CD2-CE2 4.21Å; L385-F502 HydrophobicContact CD2-CG 3.58Å; L385-F502 HydrophobicContact CG-CD1 4.39Å; L385-F502 HydrophobicContact CG-CD2 4.43Å; L385-F502 HydrophobicContact CG-CE1 4.4Å; L385-F502 HydrophobicContact CG-CE2 4.44Å; L385-F502 HydrophobicContact CG-CG 4.42Å; L385-F502 HydrophobicContact CG-CZ 4.42Å; L414-F502 HydrophobicContact CD1-CB 4.02Å; F433-F502 HydrophobicContact CD1-CE1 4.42Å; F433-F502 AromaticContact CD1-CZ 3.7Å; F433-F502 HydrophobicContact CD1-CZ 3.7Å; F433-F502 HydrophobicContact CD2-CE2 4.08Å; F433-F502 AromaticContact CD2-CZ 3.76Å; F433-F502 HydrophobicContact CD2-CZ 3.76Å; F433-F502 HydrophobicContact CE1-CE1 4.21Å; F433-F502 AromaticContact CE1-CZ 3.72Å; F433-F502 HydrophobicContact CE1-CZ 3.72Å; F433-F502 HydrophobicContact CE2-CE2 4.24Å; F433-F502 AromaticContact CE2-CZ 3.79Å; F433-F502 HydrophobicContact CE2-CZ 3.79Å; F433-F502 HydrophobicContact CG-CE2 4.33Å; F433-F502 AromaticContact CG-CZ 3.73Å; F433-F502 HydrophobicContact CG-CZ 3.73Å; F433-F502 HydrophobicContact CZ-CE1 4.43Å; F433-F502 AromaticContact CZ-CZ 3.78Å; F433-F502 HydrophobicContact CZ-CZ 3.78Å; L498-F502 HydrophobicContact CD2-CD2 4.26Å; L498-F502 HydrophobicContact CD2-CE2 3.88Å; L498-F502 WeakPolarHBondContact O-CB 3.41Å; L498-F502 WeakPolarHBondContact O-CD2 3.2Å; L498-F502 PolarHBondContact O-N 3.31Å; I499-F502 PolarHBondContact O-N 2.98Å
503A92.9Very high88.2Confident17 Ų1745.7 Ų45.714%0.1421%0.207CC..SBendtrans-69.1143.5178.800000111.4E409 A411 L414 I499E409-A503 CarbonylContact O-C 3.55Å; E409-A503 VanDerWaalsContact O-CA 3.3Å; E409-A503 WeakPolarHBondContact O-CA 3.31Å; A411-A503 HydrophobicContact CB-CB 4.33Å; L414-A503 HydrophobicContact CD1-CB 3.86Å; I499-A503 HydrophobicContact CG2-CB 4.1Å; I499-A503 WeakPolarHBondContact O-CB 3.43Å; I499-A503 PolarHBondContact O-N 2.83Å
504R89.1Confident88.1Confident107 Ų10748.4 Ų48.440%0.40423%0.226SC..PPolyproline II helixtrans-66.6133.8167.5-170.5172.2-173.4-172.35.1108.9D375 H378 E409D375-R504 IonicContact OD1-CZ 3.63Å; D375-R504 IonicContact OD1-NE 3.97Å; D375-R504 IonicContact OD1-NH2 3.58Å; D375-R504 PolarHBondContact OD1-NH2 3.41Å; D375-R504 IonicContact OD2-NH2 3.93Å; H378-R504 PolarHBondContact CE1-N 3.45Å; E409-R504 HydrophobicContact CB-CB 4.01Å; E409-R504 HydrophobicContact CG-CB 4.09Å; E409-R504 PolarHBondContact O-N 3.38Å; E409-R504 WeakPolarHBondContact OE1-CD 3.21Å; E409-R504 IonicContact OE1-CZ 3.82Å; E409-R504 IonicContact OE1-NE 2.92Å; E409-R504 IonicContact OE1-NH1 3.17Å; E409-R504 PolarHBondContact OE1-NH1 2.66Å; E409-R504 IonicContact OE2-NH1 2.75Å
505R82.4Confident88.2Confident106 Ų10649.5 Ų49.540%0.423%0.232SC..PPolyproline II helixtrans-87.8146.9177.1-63.4179-171.1148.46.2109.4H358H358-R505 PolarHBondContact CD2-NH1 3.03Å; H358-R505 PolarHBondContact CD2-NH2 3.14Å; H358-R505 VanDerWaalsContact CG-CZ 3.49Å; H358-R505 PolarHBondContact O-NH1 3.35Å
506Q77.3Confident88.2Confident128 Ų12850.2 Ų50.260%0.59824%0.238SC*.PPolyproline II helixtrans-66.3140.6171.4-175.6172-4.800109.1E508Q506-E508 PolarHBondContact O-N 2.96Å
507S80.4Confident88.2Confident30 Ų3047.1 Ų47.121%0.2123%0.226CC..PPolyproline II helixtrans-70.2121.3172.3174.90000109.4L509 E510 Y511S507-L509 PolarHBondContact O-N 2.98Å; S507-L509 PolarHBondContact OG-N 3.16Å; S507-E510 PolarHBondContact O-N 3.3Å; S507-E510 PolarHBondContact OG-N 3.19Å; S507-Y511 PolarHBondContact O-N 2.86Å
508E80.7Confident88.4Confident69 Ų6947.6 Ų47.632%0.32223%0.228SC..Hα-helixtrans-61.5-34.6175.3-66.6-64.1168.300111.5F355 Q506 Y511 I512F355-E508 HydrophobicContact CD2-CG 4.32Å; F355-E508 HydrophobicContact CE2-CG 4.08Å; Q506-E508 PolarHBondContact O-N 2.96Å; E508-Y511 WeakPolarHBondContact O-CB 3.33Å; E508-Y511 PolarHBondContact O-N 3.34Å; E508-I512 VanDerWaalsContact O-CD1 3.29Å; E508-I512 WeakPolarHBondContact O-CD1 3.34Å; E508-I512 WeakPolarHBondContact O-CG1 3.36Å; E508-I512 PolarHBondContact O-N 2.78Å
509L82.5Confident88.5Confident39 Ų3947.8 Ų47.820%0.20423%0.229CC..Hα-helixtrans-65.1-42.7176.6-174.162.8000111.2S507 Y511 I512 N513 M814S507-L509 PolarHBondContact O-N 2.98Å; S507-L509 PolarHBondContact OG-N 3.16Å; L509-Y511 VanDerWaalsContact C-N 3.33Å; L509-I512 PolarHBondContact O-N 2.91Å; L509-N513 WeakPolarHBondContact O-CB 3.34Å; L509-N513 PolarHBondContact O-N 3.02Å; L509-N513 PolarHBondContact O-ND2 2.77Å; L509-M814 HydrophobicContact CD1-CB 3.68Å
510E83.2Confident88.6Confident110 Ų11048.4 Ų48.451%0.51423%0.234SC..Hα-helixtrans-63.6-39.9173.9-68.2178164.400111.7S507 N513 S514S507-E510 PolarHBondContact O-N 3.3Å; S507-E510 PolarHBondContact OG-N 3.19Å; E510-N513 PolarHBondContact O-N 2.91Å; E510-S514 WeakPolarHBondContact O-CB 3.38Å; E510-S514 PolarHBondContact O-N 3.28Å; E510-S514 PolarHBondContact O-OG 2.94Å
511Y86Confident88.7Confident114 Ų11448.1 Ų48.145%0.44723%0.233SC..Hα-helixtrans-60.6-46.9174.9175.8-108.4000111.5S507 E508 L509 N513 S514 L515S507-Y511 PolarHBondContact O-N 2.86Å; E508-Y511 WeakPolarHBondContact O-CB 3.33Å; E508-Y511 PolarHBondContact O-N 3.34Å; L509-Y511 VanDerWaalsContact C-N 3.33Å; Y511-N513 PolarHBondContact O-N 3.15Å; Y511-S514 WeakPolarHBondContact CA-OG 3.37Å; Y511-S514 CarbonylContact O-C 3.46Å; Y511-S514 PolarHBondContact O-N 3Å; Y511-S514 PolarHBondContact O-OG 3.12Å; Y511-L515 HydrophobicContact CE1-CD1 3.93Å; Y511-L515 WeakPolarHBondContact O-CB 3.45Å; Y511-L515 PolarHBondContact O-N 3.4Å; Y511-L515 VanDerWaalsContact O-N 3.13Å
512I87Confident88.7Confident6 Ų652.1 Ų52.13%0.03126%0.255CS..Hα-helixtrans-66.8-37.8178.1-63.2155.9000111.8E508 L509 S514 L515 L558 F561 R811 M814E508-I512 VanDerWaalsContact O-CD1 3.29Å; E508-I512 WeakPolarHBondContact O-CD1 3.34Å; E508-I512 WeakPolarHBondContact O-CG1 3.36Å; E508-I512 PolarHBondContact O-N 2.78Å; L509-I512 PolarHBondContact O-N 2.91Å; I512-S514 PolarHBondContact O-N 2.98Å; I512-L515 WeakPolarHBondContact O-CB 3.34Å; I512-L515 PolarHBondContact O-N 3.19Å; I512-L515 VanDerWaalsContact O-N 3.15Å; I512-L558 HydrophobicContact CD1-CD1 3.38Å; I512-L558 HydrophobicContact CG1-CD1 4.13Å; I512-F561 HydrophobicContact CG2-CD1 4.48Å; I512-F561 HydrophobicContact CG2-CE1 4.01Å; I512-F561 HydrophobicContact CG2-CE2 4.35Å; I512-F561 HydrophobicContact CG2-CZ 3.94Å; I512-R811 HydrophobicContact CG2-CG 4.08Å; I512-M814 HydrophobicContact CD1-CE 4.03Å; I512-M814 HydrophobicContact CD1-SD 4Å; I512-M814 HydrophobicContact CG2-CE 3.69Å
513N88.1Confident88.7Confident57 Ų5753.1 Ų53.131%0.30526%0.261SS..Hα-helixtrans-65.1-32.5176.4-73.5-20.9000112.1L509 E510 Y511 L515 N815L509-N513 WeakPolarHBondContact O-CB 3.34Å; L509-N513 PolarHBondContact O-N 3.02Å; L509-N513 PolarHBondContact O-ND2 2.77Å; E510-N513 PolarHBondContact O-N 2.91Å; Y511-N513 PolarHBondContact O-N 3.15Å; N513-L515 VanDerWaalsContact C-N 3.33Å; N513-N815 PolarHBondContact ND2-OD1 2.9Å; N513-N815 PolarHBondContact OD1-ND2 2.88Å; N513-N815 PolarHBondContact OD1-OD1 3.43Å
514S88Confident88.9Confident59 Ų5952.3 Ų52.341%0.41325%0.254SS..THydrogen-bonded Turntrans-9113.5174.458.70000113.8E510 Y511 I512 V732E510-S514 WeakPolarHBondContact O-CB 3.38Å; E510-S514 PolarHBondContact O-N 3.28Å; E510-S514 PolarHBondContact O-OG 2.94Å; Y511-S514 WeakPolarHBondContact CA-OG 3.37Å; Y511-S514 CarbonylContact O-C 3.46Å; Y511-S514 PolarHBondContact O-N 3Å; Y511-S514 PolarHBondContact O-OG 3.12Å; I512-S514 PolarHBondContact O-N 2.98Å; S514-V732 WeakPolarHBondContact O-CG1 3.32Å
515L90.4Very high89.1Confident23 Ų2349.2 Ų49.212%0.1224%0.242CC..SBendtrans-100.3135.5179.2-176.1135.4000111.6Y511 I512 N513 F561Y511-L515 HydrophobicContact CE1-CD1 3.93Å; Y511-L515 WeakPolarHBondContact O-CB 3.45Å; Y511-L515 PolarHBondContact O-N 3.4Å; Y511-L515 VanDerWaalsContact O-N 3.13Å; I512-L515 WeakPolarHBondContact O-CB 3.34Å; I512-L515 PolarHBondContact O-N 3.19Å; I512-L515 VanDerWaalsContact O-N 3.15Å; N513-L515 VanDerWaalsContact C-N 3.33Å; L515-F561 HydrophobicContact CD2-CE1 4.16Å; L515-F561 HydrophobicContact CD2-CZ 4.07Å
516S93.1Very high89.4Confident22 Ų2245 Ų4515%0.15423%0.228CC..  trans-65.9130.6171.6-174.30000111.1Y518 D730S516-Y518 PolarHBondContact OG-N 3.07Å; S516-Y518 PolarHBondContact OG-O 2.92Å; S516-D730 WeakPolarHBondContact CA-OD2 3.24Å; S516-D730 WeakPolarHBondContact CB-OD2 3.16Å; S516-D730 PolarHBondContact OG-OD2 3.38Å
517L93.2Very high89.9Confident7 Ų744.6 Ų44.64%0.03723%0.226CC..SBendtrans-79.8-9.8174.2-57.7-175.2000112.7F561 K804 L807 E808L517-F561 HydrophobicContact CD2-CE2 3.78Å; L517-F561 HydrophobicContact CD2-CZ 3.69Å; L517-K804 HydrophobicContact CD1-CG 4.43Å; L517-L807 HydrophobicContact CD1-CB 4.21Å; L517-L807 HydrophobicContact CD2-CB 4.17Å; L517-E808 HydrophobicContact CD1-CB 4.24Å; L517-E808 HydrophobicContact CD1-CG 3.23Å
518Y96.1Very high90.3Very high11 Ų1145.3 Ų45.34%0.04323%0.227CC..SBendtrans-93.6134.4175-67-67.9000110.5S516 P653 F655 E688 D730 F803 K804S516-Y518 PolarHBondContact OG-N 3.07Å; S516-Y518 PolarHBondContact OG-O 2.92Å; Y518-P653 HydrophobicContact CE1-CB 4.22Å; Y518-F655 HydrophobicContact CD1-CE1 4.35Å; Y518-E688 WeakPolarHBondContact OH-CG 3.3Å; Y518-D730 HydrophobicContact CD2-CB 3.85Å; Y518-D730 HydrophobicContact CE2-CB 4.21Å; Y518-F803 HydrophobicContact CD1-CE2 4.11Å; Y518-F803 AromaticContact CD1-CZ 3.86Å; Y518-F803 HydrophobicContact CD1-CZ 3.86Å; Y518-F803 HydrophobicContact CE1-CE2 4.35Å; Y518-F803 AromaticContact CE1-CZ 3.85Å; Y518-F803 HydrophobicContact CE1-CZ 3.85Å; Y518-K804 HydrophobicContact CE1-CD 3.92Å; Y518-K804 HydrophobicContact CE2-CD 3.94Å; Y518-K804 VanDerWaalsContact CZ-CD 3.41Å; Y518-K804 WeakPolarHBondContact OH-CD 3.28Å; Y518-K804 WeakPolarHBondContact OH-CE 3.04Å
519P95.8Very high90.6Very high5 Ų546.5 Ų46.53%0.03223%0.229CC..PPolyproline II helixtrans-75.8147175.533.6-36.1000111.2L523 I524 T569 I572P519-L523 HydrophobicContact CB-CD2 4.25Å; P519-I524 HydrophobicContact CB-CD1 4.32Å; P519-I524 HydrophobicContact CB-CG1 3.83Å; P519-I524 HydrophobicContact CG-CD1 4.25Å; P519-I524 HydrophobicContact CG-CG1 4.1Å; P519-T569 HydrophobicContact CB-CG2 3.72Å; P519-T569 HydrophobicContact CG-CG2 4.19Å; P519-I572 HydrophobicContact CG-CD1 3.72Å; P519-I572 HydrophobicContact CG-CG2 4.33Å
520T95.9Very high91.1Very high32 Ų3244.7 Ų44.720%0.19622%0.219CC..PPolyproline II helixtrans-98167.3169.956.20000110.7D522 L523 I524T520-D522 PolarHBondContact O-N 3.43Å; T520-D522 VanDerWaalsContact O-N 3.14Å; T520-L523 PolarHBondContact O-N 3.46Å; T520-I524 WeakPolarHBondContact O-CG1 3.18Å; T520-I524 PolarHBondContact O-N 3.4Å
521E94.9Very high91.4Very high26 Ų2639.5 Ų39.512%0.12120%0.195CC..Hα-helixtrans-45-39168.157-78.3175.900113.6L523 W525 L681 H682 Y683 V684 R685E521-L523 VanDerWaalsContact C-N 3.32Å; E521-L523 PolarHBondContact O-N 3.36Å; E521-W525 HydrophobicContact CB-CE3 4.21Å; E521-W525 HydrophobicContact CB-CZ3 4.13Å; E521-W525 PolarHBondContact O-N 3.22Å; E521-L681 HydrophobicContact CB-CD2 4.19Å; E521-H682 WeakPolarHBondContact CG-O 3.37Å; E521-Y683 WeakPolarHBondContact OE2-CA 3.35Å; E521-V684 PolarHBondContact OE2-N 2.9Å; E521-R685 VanDerWaalsContact CD-NH1 3.27Å; E521-R685 IonicContact OE1-CZ 3.67Å; E521-R685 IonicContact OE1-NH1 3.67Å; E521-R685 PolarHBondContact OE1-NH1 3.44Å; E521-R685 IonicContact OE1-NH2 2.96Å; E521-R685 PolarHBondContact OE1-NH2 3.3Å; E521-R685 IonicContact OE2-CZ 2.71Å; E521-R685 IonicContact OE2-NH1 3.89Å; E521-R685 PolarHBondContact OE2-NH1 3Å
522D92.3Very high91.3Very high122 Ų12236.1 Ų36.165%0.65219%0.187SC*.Hα-helixtrans-64.9-35.5-179.2-62-41000112.4T520 D526T520-D522 PolarHBondContact O-N 3.43Å; T520-D522 VanDerWaalsContact O-N 3.14Å; D522-D526 WeakPolarHBondContact O-CB 3.19Å
523L94.3Very high90.8Very high25 Ų2540.1 Ų40.113%0.13121%0.205CC..Hα-helixtrans-87.8-39179-176.263.6000112P519 T520 E521 W525 D526 R529 V530 L566 T569P519-L523 HydrophobicContact CB-CD2 4.25Å; T520-L523 PolarHBondContact O-N 3.46Å; E521-L523 VanDerWaalsContact C-N 3.32Å; E521-L523 PolarHBondContact O-N 3.36Å; L523-W525 VanDerWaalsContact C-N 3.29Å; L523-W525 PolarHBondContact O-N 3.48Å; L523-D526 PolarHBondContact O-N 2.86Å; L523-R529 HydrophobicContact CD1-CB 4.27Å; L523-V530 HydrophobicContact CD1-CG2 4.43Å; L523-V530 HydrophobicContact CG-CG2 4.49Å; L523-V530 WeakPolarHBondContact O-CG2 3.44Å; L523-L566 HydrophobicContact CD1-CD2 4.05Å; L523-T569 HydrophobicContact CD2-CG2 4.46Å; L523-T569 HydrophobicContact CG-CG2 4.23Å
524I95.3Very high89.8Confident0 Ų042.8 Ų42.80%021%0.212CC..Hα-helixtrans-59.5-41-175.4-67166.3000111.1P519 T520 T569 I572 R573 I576 V684P519-I524 HydrophobicContact CB-CD1 4.32Å; P519-I524 HydrophobicContact CB-CG1 3.83Å; P519-I524 HydrophobicContact CG-CD1 4.25Å; P519-I524 HydrophobicContact CG-CG1 4.1Å; T520-I524 WeakPolarHBondContact O-CG1 3.18Å; T520-I524 PolarHBondContact O-N 3.4Å; I524-T569 HydrophobicContact CB-CG2 4.36Å; I524-T569 HydrophobicContact CG1-CG2 3.89Å; I524-I572 HydrophobicContact CD1-CG2 4.47Å; I524-R573 HydrophobicContact CG2-CB 3.71Å; I524-R573 HydrophobicContact CG2-CG 3.86Å; I524-R573 WeakPolarHBondContact O-CD 3.38Å; I524-I576 HydrophobicContact CD1-CD1 4.15Å; I524-V684 HydrophobicContact CD1-CB 4.02Å; I524-V684 HydrophobicContact CD1-CG1 3.79Å; I524-V684 HydrophobicContact CD1-CG2 4.22Å
525W93.4Very high89.4Confident42 Ų4242.1 Ų42.116%0.15920%0.2CC..THydrogen-bonded Turntrans-105.715.8-178.9-68.9-80.8000113.8E521 L523 E527 I576 E577 F675 A676 L681 V684E521-W525 HydrophobicContact CB-CE3 4.21Å; E521-W525 HydrophobicContact CB-CZ3 4.13Å; E521-W525 PolarHBondContact O-N 3.22Å; L523-W525 VanDerWaalsContact C-N 3.29Å; L523-W525 PolarHBondContact O-N 3.48Å; W525-E527 PolarHBondContact O-N 2.78Å; W525-I576 HydrophobicContact CH2-CG2 4.04Å; W525-I576 HydrophobicContact CZ2-CG2 4.22Å; W525-E577 PolarHBondContact NE1-OE1 3.15Å; W525-F675 AromaticContact CE2-CD1 3.74Å; W525-F675 AromaticContact CZ2-CD1 3.69Å; W525-F675 HydrophobicContact CZ2-CD1 3.69Å; W525-F675 AromaticContact CZ2-CE1 3.88Å; W525-F675 HydrophobicContact CZ2-CE1 3.88Å; W525-F675 AromaticContact NE1-CD1 3.52Å; W525-F675 AromaticContact NE1-CG 3.95Å; W525-A676 HydrophobicContact CD2-CB 4.43Å; W525-L681 HydrophobicContact CE3-CD2 4.03Å; W525-L681 HydrophobicContact CH2-CD1 3.26Å; W525-L681 HydrophobicContact CH2-CD2 3.66Å; W525-L681 HydrophobicContact CH2-CG 4.12Å; W525-L681 HydrophobicContact CZ2-CD1 3.81Å; W525-L681 HydrophobicContact CZ2-CD2 4.49Å; W525-L681 HydrophobicContact CZ3-CD1 3.93Å; W525-L681 HydrophobicContact CZ3-CD2 3.37Å; W525-L681 HydrophobicContact CZ3-CG 4.32Å; W525-V684 HydrophobicContact CH2-CG2 4.05Å; W525-V684 HydrophobicContact CZ3-CG2 3.9Å
526D90.5Very high88.3Confident17 Ų1743.4 Ų43.49%0.09121%0.211CC..  trans-79.698.7170.9-166.8-5.8000111.5K344 D522 L523 N528 R529 V530K344-D526 IonicContact NZ-OD1 3.9Å; K344-D526 PolarHBondContact NZ-OD1 3.18Å; K344-D526 IonicContact NZ-OD2 3.86Å; K344-D526 PolarHBondContact NZ-OD2 3.03Å; D522-D526 WeakPolarHBondContact O-CB 3.19Å; L523-D526 PolarHBondContact O-N 2.86Å; D526-N528 PolarHBondContact O-N 2.75Å; D526-N528 VanDerWaalsContact O-N 3.16Å; D526-N528 PolarHBondContact OD1-N 2.97Å; D526-R529 HydrophobicContact CB-CB 4.42Å; D526-R529 PolarHBondContact O-N 3.24Å; D526-R529 VanDerWaalsContact O-N 3.12Å; D526-R529 IonicContact OD2-NE 3.14Å; D526-V530 PolarHBondContact O-N 3.33Å
527E87.5Confident87.4Confident120 Ų12042.7 Ų42.756%0.56121%0.208SC*.THydrogen-bonded Turntrans-64.1-21.3-176.2-60.2-170.2163.100114.2W525W525-E527 PolarHBondContact O-N 2.78Å
528N87.4Confident86.5Confident45 Ų4546.8 Ų46.824%0.24123%0.227CC..THydrogen-bonded Turntrans-73.3-29.3177.3-67.4-18.8000112.4L345 E348 D526L345-N528 HydrophobicContact CD1-CB 4.35Å; E348-N528 WeakPolarHBondContact OE2-CB 3.26Å; D526-N528 PolarHBondContact O-N 2.75Å; D526-N528 VanDerWaalsContact O-N 3.16Å; D526-N528 PolarHBondContact OD1-N 2.97Å
529R88.6Confident85.9Confident95 Ų9550.6 Ų50.636%0.35825%0.248SC..THydrogen-bonded Turntrans-106.2-38-177-64.7-178.4177.5-154-7.1112.8E348 L523 D526 P531 L566 F1355E348-R529 IonicContact OE1-CZ 3.68Å; E348-R529 IonicContact OE1-NE 3.01Å; E348-R529 PolarHBondContact OE1-NE 3.17Å; E348-R529 IonicContact OE1-NH2 3.51Å; E348-R529 PolarHBondContact OE1-NH2 3.03Å; L523-R529 HydrophobicContact CD1-CB 4.27Å; D526-R529 HydrophobicContact CB-CB 4.42Å; D526-R529 PolarHBondContact O-N 3.24Å; D526-R529 VanDerWaalsContact O-N 3.12Å; D526-R529 IonicContact OD2-NE 3.14Å; R529-P531 WeakPolarHBondContact O-CD 3.4Å; R529-L566 HydrophobicContact CB-CD2 4.18Å; R529-F1355 WeakPolarHBondContact O-CE1 3.27Å
530V91.9Very high85.6Confident0 Ų050.5 Ų50.50%025%0.247CC..SBendtrans-118.882.9178.4-172.60000108.6L523 D526 L566 T569 Y570 F1355L523-V530 HydrophobicContact CD1-CG2 4.43Å; L523-V530 HydrophobicContact CG-CG2 4.49Å; L523-V530 WeakPolarHBondContact O-CG2 3.44Å; D526-V530 PolarHBondContact O-N 3.33Å; V530-L566 HydrophobicContact CG2-CD2 3.88Å; V530-T569 HydrophobicContact CG2-CG2 3.95Å; V530-Y570 HydrophobicContact CG1-CD2 4.16Å; V530-F1355 HydrophobicContact CG1-CZ 4.5Å
531P88.9Confident85.3Confident1 Ų149.6 Ų49.61%0.00624%0.241CC..  trans-63.5150-178.9-20.734.1000111R529 Y535 L541 Y570 N1352 A1354 F1355R529-P531 WeakPolarHBondContact O-CD 3.4Å; P531-Y535 HydrophobicContact CB-CD2 3.93Å; P531-Y535 HydrophobicContact CB-CG 3.92Å; P531-L541 HydrophobicContact CB-CD2 4.49Å; P531-L541 HydrophobicContact CG-CD1 3.79Å; P531-L541 HydrophobicContact CG-CD2 3.59Å; P531-L541 HydrophobicContact CG-CG 4.36Å; P531-Y570 WeakPolarHBondContact O-CD2 3.31Å; P531-N1352 PolarHBondContact O-ND2 3.32Å; P531-A1354 HydrophobicContact CB-CB 3.84Å; P531-A1354 HydrophobicContact CG-CB 3.87Å; P531-F1355 HydrophobicContact CG-CE1 4.39Å
532T84.6Confident85Confident44 Ų4449.2 Ų49.227%0.2724%0.242SC..  trans-66.5162.9171.761.90000111.2Y534 Y535T532-Y534 PolarHBondContact O-N 2.65Å; T532-Y535 PolarHBondContact O-N 2.97Å; T532-Y535 VanDerWaalsContact O-N 3.16Å
533E76.2Confident84.9Confident90 Ų9043.7 Ų43.742%0.42121%0.213SC..THydrogen-bonded Turntrans-53.4-28.9176.4-158.9171.1161.600112.8Y570E533-Y570 WeakPolarHBondContact CA-OH 3.48Å; E533-Y570 WeakPolarHBondContact CB-OH 3.38Å; E533-Y570 VanDerWaalsContact CG-OH 3.3Å; E533-Y570 WeakPolarHBondContact CG-OH 3.44Å
534Y67.7Low84.8Confident113 Ų11342.9 Ų42.944%0.44321%0.209SC..THydrogen-bonded Turntrans-98.120.4-172.1-45.7-42.6000113.1T532 S536 F1442T532-Y534 PolarHBondContact O-N 2.65Å; Y534-S536 PolarHBondContact O-N 3.21Å; Y534-F1442 AromaticContact CD1-CD2 3.97Å; Y534-F1442 HydrophobicContact CD1-CD2 3.97Å; Y534-F1442 HydrophobicContact CD1-CE1 4.21Å; Y534-F1442 AromaticContact CD1-CE2 3.15Å; Y534-F1442 HydrophobicContact CD1-CE2 3.15Å; Y534-F1442 AromaticContact CD1-CZ 3.26Å; Y534-F1442 HydrophobicContact CD1-CZ 3.26Å; Y534-F1442 AromaticContact CE1-CD2 3.22Å; Y534-F1442 HydrophobicContact CE1-CD2 3.22Å; Y534-F1442 HydrophobicContact CE1-CE1 4.34Å; Y534-F1442 AromaticContact CE1-CE2 2.83Å; Y534-F1442 HydrophobicContact CE1-CE2 2.83Å; Y534-F1442 HydrophobicContact CE1-CG 4.19Å; Y534-F1442 AromaticContact CE1-CZ 3.47Å; Y534-F1442 HydrophobicContact CE1-CZ 3.47Å; Y534-F1442 VanDerWaalsContact CE1-CZ 3.47Å; Y534-F1442 HydrophobicContact CE2-CE2 4.39Å; Y534-F1442 HydrophobicContact CG-CE2 4.11Å; Y534-F1442 HydrophobicContact CG-CZ 4.22Å; Y534-F1442 AromaticContact CZ-CD2 3.8Å; Y534-F1442 AromaticContact CZ-CE2 3.51Å
535Y78.7Confident84.6Confident44 Ų4444.9 Ų44.917%0.17322%0.218CC..  trans-52.1116.4-179.8-177-111.2000111.5P531 T532 G537 N539 L541 A1354 Y1358P531-Y535 HydrophobicContact CB-CD2 3.93Å; P531-Y535 HydrophobicContact CB-CG 3.92Å; T532-Y535 PolarHBondContact O-N 2.97Å; T532-Y535 VanDerWaalsContact O-N 3.16Å; Y535-G537 VanDerWaalsContact CE1-CA 3.43Å; Y535-G537 PolarHBondContact O-N 3.5Å; Y535-N539 HydrophobicContact CE2-CB 4.33Å; Y535-N539 WeakPolarHBondContact OH-CA 3.39Å; Y535-N539 WeakPolarHBondContact OH-CB 3.44Å; Y535-N539 PolarHBondContact OH-O 3.48Å; Y535-L541 HydrophobicContact CD1-CD1 4.06Å; Y535-L541 HydrophobicContact CE1-CD1 3.53Å; Y535-L541 HydrophobicContact CE1-CD2 4.29Å; Y535-L541 HydrophobicContact CE1-CG 3.88Å; Y535-L541 HydrophobicContact CE2-CD2 3.82Å; Y535-L541 HydrophobicContact CE2-CG 4.28Å; Y535-L541 WeakPolarHBondContact OH-CG 3.41Å; Y535-A1354 HydrophobicContact CD1-CB 3.83Å; Y535-A1354 HydrophobicContact CG-CB 4.14Å; Y535-Y1358 HydrophobicContact CD1-CD2 4.23Å; Y535-Y1358 AromaticContact CD1-CE2 3.74Å; Y535-Y1358 HydrophobicContact CD1-CE2 3.74Å; Y535-Y1358 HydrophobicContact CE1-CD2 4Å; Y535-Y1358 AromaticContact CE1-CE2 3.58Å; Y535-Y1358 HydrophobicContact CE1-CE2 3.58Å
536S67.9Low84.5Confident50 Ų5043 Ų4335%0.3521%0.211SC..  trans-73-6.3-172.473.30000113.3R108 Y534 E538R108-S536 PolarHBondContact NH1-O 3.25Å; R108-S536 PolarHBondContact NH2-O 3.3Å; Y534-S536 PolarHBondContact O-N 3.21Å; S536-E538 PolarHBondContact O-N 3.28Å; S536-E538 PolarHBondContact OG-N 3.48Å
537G75Confident84.3Confident8 Ų843.2 Ų43.28%0.08222%0.217CC..SBendtrans71.3-4.1179.400000116.8Y535 Y1358Y535-G537 VanDerWaalsContact CE1-CA 3.43Å; Y535-G537 PolarHBondContact O-N 3.5Å; G537-Y1358 WeakPolarHBondContact CA-OH 3.49Å; G537-Y1358 PolarHBondContact O-OH 3.47Å
538E74.4Confident84.4Confident93 Ų9338.2 Ų38.244%0.43519%0.194SC..  trans-75.6-33.7-177.6-67.3179.8166.400111.7H297 R301 S536H297-E538 PolarHBondContact CE1-O 3.46Å; H297-E538 PolarHBondContact NE2-O 3.24Å; R301-E538 PolarHBondContact NH2-O 3.25Å; S536-E538 PolarHBondContact O-N 3.28Å; S536-E538 PolarHBondContact OG-N 3.48Å
539N83.6Confident84.4Confident91 Ų9138 Ų3849%0.48719%0.191SC..SBendtrans-84.5172.2-179.2-64.1-17.4000112.4R301 Y535R301-N539 PolarHBondContact NH2-O 2.81Å; Y535-N539 HydrophobicContact CE2-CB 4.33Å; Y535-N539 WeakPolarHBondContact OH-CA 3.39Å; Y535-N539 WeakPolarHBondContact OH-CB 3.44Å; Y535-N539 PolarHBondContact OH-O 3.48Å
540C88.1Confident84.6Confident3 Ų333.5 Ų33.52%0.0217%0.174CC..  trans-84.3154.5169.7-67.60000110.4E300 R301 L345 L349E300-C540 HydrophobicContact CB-CB 4.23Å; R301-C540 WeakPolarHBondContact CD-SG 3.43Å; R301-C540 PolarHBondContact NE-SG 3.29Å; R301-C540 VanDerWaalsContact NE-SG 3.44Å; L345-C540 HydrophobicContact CD2-CB 4Å; L345-C540 WeakPolarHBondContact CD2-O 3.49Å; L349-C540 HydrophobicContact CD1-CB 4.23Å
541L89.7Confident84.5Confident12 Ų1233.5 Ų33.56%0.06318%0.175CC..  trans-127.7132.4169.8-64.8176.3000108.4P531 Y535 L543 A1354 Y1358P531-L541 HydrophobicContact CB-CD2 4.49Å; P531-L541 HydrophobicContact CG-CD1 3.79Å; P531-L541 HydrophobicContact CG-CD2 3.59Å; P531-L541 HydrophobicContact CG-CG 4.36Å; Y535-L541 HydrophobicContact CD1-CD1 4.06Å; Y535-L541 HydrophobicContact CE1-CD1 3.53Å; Y535-L541 HydrophobicContact CE1-CD2 4.29Å; Y535-L541 HydrophobicContact CE1-CG 3.88Å; Y535-L541 HydrophobicContact CE2-CD2 3.82Å; Y535-L541 HydrophobicContact CE2-CG 4.28Å; Y535-L541 WeakPolarHBondContact OH-CG 3.41Å; L541-L543 HydrophobicContact CB-CD1 3.76Å; L541-L543 HydrophobicContact CB-CG 3.87Å; L541-L543 HydrophobicContact CD1-CD1 3.7Å; L541-L543 HydrophobicContact CG-CD1 4.34Å; L541-L543 PolarHBondContact O-N 2.77Å; L541-A1354 HydrophobicContact CD1-CB 4.05Å; L541-Y1358 HydrophobicContact CD1-CD2 3.96Å; L541-Y1358 HydrophobicContact CD1-CG 4.25Å
542A89.2Confident84.5Confident18 Ų1833.9 Ų33.915%0.14918%0.177CC..  trans-81.664.7175.900000110.6L345 E348 L349L345-A542 HydrophobicContact CD1-CB 4.19Å; E348-A542 HydrophobicContact CB-CB 3.9Å; L349-A542 HydrophobicContact CD2-CB 3.84Å; L349-A542 HydrophobicContact CG-CB 4.16Å
543L90.2Very high84.7Confident6 Ų633.2 Ų33.23%0.03117%0.171CC..  trans-115.6136-176.6-63.3172.2000111.4L541 L566 F1355L541-L543 HydrophobicContact CB-CD1 3.76Å; L541-L543 HydrophobicContact CB-CG 3.87Å; L541-L543 HydrophobicContact CD1-CD1 3.7Å; L541-L543 HydrophobicContact CG-CD1 4.34Å; L541-L543 PolarHBondContact O-N 2.77Å; L543-L566 HydrophobicContact CD2-CD1 3.39Å; L543-F1355 HydrophobicContact CD1-CD1 3.71Å; L543-F1355 HydrophobicContact CD1-CE1 4.06Å; L543-F1355 HydrophobicContact CD2-CD1 4.16Å; L543-F1355 HydrophobicContact CD2-CE1 3.93Å
544P91.3Very high85.3Confident8 Ų832 Ų325%0.05217%0.165CC..  trans-66.3146.216828.5-32.7000110.3R559 N562 L563 S1359P544-R559 HydrophobicContact CB-CB 4.08Å; P544-R559 HydrophobicContact CB-CG 3.76Å; P544-R559 HydrophobicContact CG-CB 4.46Å; P544-N562 HydrophobicContact CG-CB 4.19Å; P544-L563 HydrophobicContact CG-CD2 4.12Å; P544-L563 HydrophobicContact CG-CG 4.04Å; P544-S1359 WeakPolarHBondContact O-CB 3.14Å
545K91Very high86.4Confident43 Ų4326.6 Ų26.619%0.18714%0.144CC..  trans-104.5136.3179.5-60-179.3-178.2166.30111.6T198 D308 G547 R559T198-K545 HydrophobicContact CG2-CD 4.29Å; D308-K545 WeakPolarHBondContact OD1-CD 3.47Å; D308-K545 VanDerWaalsContact OD1-CE 3.31Å; D308-K545 WeakPolarHBondContact OD1-CE 3.3Å; D308-K545 IonicContact OD1-NZ 3.02Å; D308-K545 PolarHBondContact OD1-NZ 3.44Å; D308-K545 IonicContact OD2-NZ 3.59Å; D308-K545 PolarHBondContact OD2-NZ 3.39Å; K545-G547 PolarHBondContact O-N 3.04Å; K545-R559 VanDerWaalsContact O-CD 3.29Å; K545-R559 WeakPolarHBondContact O-CD 3.41Å; K545-R559 PolarHBondContact O-NH1 3.22Å
546L91.5Very high87.1Confident3 Ų324.7 Ų24.72%0.01614%0.137CC..  trans-83.697.7167.6-60.3-177.9000109.1F550 R559 L563 S1359 N1360L546-F550 HydrophobicContact CB-CZ 4.36Å; L546-F550 HydrophobicContact CD2-CE1 3.95Å; L546-F550 HydrophobicContact CD2-CZ 4.07Å; L546-R559 HydrophobicContact CD2-CB 3.89Å; L546-L563 HydrophobicContact CD1-CD1 4Å; L546-L563 HydrophobicContact CD2-CD1 4.08Å; L546-L563 HydrophobicContact CG-CD1 3.65Å; L546-S1359 PolarHBondContact N-O 3.27Å; L546-N1360 HydrophobicContact CB-CB 4.41Å; L546-N1360 VanDerWaalsContact O-CB 3.28Å; L546-N1360 WeakPolarHBondContact O-CB 3.3Å; L546-N1360 PolarHBondContact O-ND2 3.5Å; L546-N1360 VanDerWaalsContact O-ND2 3.1Å
547G87.9Confident88.3Confident20 Ų2022.6 Ų22.621%0.20612%0.122CC..  trans-94.5-177.9178.600000112.6K545 Q549 F550 R1368K545-G547 PolarHBondContact O-N 3.04Å; G547-Q549 PolarHBondContact O-N 3.27Å; G547-F550 WeakPolarHBondContact O-CZ 3.44Å; G547-R1368 WeakPolarHBondContact O-CD 3.23Å; G547-R1368 PolarHBondContact O-NH1 3.07Å
548L87.9Confident89.2Confident15 Ų1522.8 Ų22.88%0.07912%0.121CC..SBendtrans-73.7-16.9171.1-59.1-171.9000112.9A201 E202 R1368 K1371 L1372A201-L548 HydrophobicContact CB-CB 3.94Å; A201-L548 HydrophobicContact CB-CD1 4.11Å; E202-L548 HydrophobicContact CB-CD1 3.7Å; E202-L548 HydrophobicContact CG-CD1 4.24Å; L548-R1368 HydrophobicContact CD2-CG 3.66Å; L548-R1368 PolarHBondContact O-NH1 3.46Å; L548-K1371 HydrophobicContact CD1-CB 4.28Å; L548-K1371 HydrophobicContact CD2-CB 3.9Å; L548-K1371 HydrophobicContact CD2-CD 4.22Å; L548-L1372 HydrophobicContact CB-CD2 3.94Å; L548-L1372 HydrophobicContact CB-CG 4.47Å
549Q88.3Confident90.1Very high41 Ų4118.6 Ų18.619%0.19210%0.101CC..  trans-131.2145.2-179-64.6-176.8-20.400110.6A201 G547 M829 G830 Y831A201-Q549 HydrophobicContact CB-CG 4.15Å; G547-Q549 PolarHBondContact O-N 3.27Å; Q549-M829 WeakPolarHBondContact CA-O 3.26Å; Q549-G830 PolarHBondContact NE2-O 3Å; Q549-Y831 HydrophobicContact CB-CE1 4.39Å
550F91.8Very high90.6Very high0 Ų014.7 Ų14.70%08%0.08CC..  trans-135.6139.5-178.5-63-72.3000110.9L546 G547 T552 Y556 M829 Y831 R1368L546-F550 HydrophobicContact CB-CZ 4.36Å; L546-F550 HydrophobicContact CD2-CE1 3.95Å; L546-F550 HydrophobicContact CD2-CZ 4.07Å; G547-F550 WeakPolarHBondContact O-CZ 3.44Å; F550-T552 VanDerWaalsContact C-N 3.33Å; F550-T552 PolarHBondContact O-N 3.33Å; F550-Y556 HydrophobicContact CD1-CD2 4.17Å; F550-Y556 AromaticContact CD2-CD2 3.58Å; F550-Y556 HydrophobicContact CD2-CD2 3.58Å; F550-Y556 HydrophobicContact CD2-CE2 4.38Å; F550-Y556 HydrophobicContact CD2-CG 4.27Å; F550-Y556 AromaticContact CE1-CD2 3.96Å; F550-Y556 HydrophobicContact CE1-CD2 3.96Å; F550-Y556 AromaticContact CE2-CD2 3.3Å; F550-Y556 HydrophobicContact CE2-CD2 3.3Å; F550-Y556 AromaticContact CE2-CE2 3.73Å; F550-Y556 HydrophobicContact CE2-CE2 3.73Å; F550-Y556 HydrophobicContact CE2-CG 4.38Å; F550-Y556 AromaticContact CG-CD2 4Å; F550-Y556 HydrophobicContact CG-CD2 4Å; F550-Y556 HydrophobicContact CG-CG 4.48Å; F550-Y556 AromaticContact CZ-CD2 3.54Å; F550-Y556 HydrophobicContact CZ-CD2 3.54Å; F550-Y556 AromaticContact CZ-CE2 3.93Å; F550-Y556 HydrophobicContact CZ-CE2 3.93Å; F550-M829 HydrophobicContact CB-SD 4.29Å; F550-M829 PolarHBondContact N-O 3.22Å; F550-Y831 VanDerWaalsContact O-CE2 3.27Å; F550-Y831 WeakPolarHBondContact O-CE2 3.45Å; F550-Y831 PolarHBondContact O-OH 3.31Å; F550-R1368 VanDerWaalsContact CE2-CZ 3.49Å
551L90.8Very high91Very high1 Ų114.6 Ų14.61%0.0058%0.079CC..SBendtrans-54.6-49.1-173.8-62.7-179.2000112.1L313 Y356 F359 I361 D555 Y831L313-L551 HydrophobicContact CB-CD2 4Å; L313-L551 HydrophobicContact CD1-CD2 4.41Å; Y356-L551 HydrophobicContact CD1-CD1 3.93Å; Y356-L551 HydrophobicContact CE1-CD1 4.49Å; F359-L551 HydrophobicContact CB-CD1 4.04Å; F359-L551 HydrophobicContact CD1-CB 4.15Å; F359-L551 HydrophobicContact CD1-CD1 3.85Å; F359-L551 HydrophobicContact CE1-CB 4.14Å; F359-L551 HydrophobicContact CG-CD1 3.85Å; I361-L551 HydrophobicContact CD1-CB 4.31Å; L551-D555 HydrophobicContact CB-CB 4.01Å; L551-D555 WeakPolarHBondContact CB-OD2 3.38Å; L551-D555 PolarHBondContact N-OD2 2.87Å; L551-Y831 WeakPolarHBondContact CA-OH 3.15Å
552T88.6Confident91.2Very high8 Ų816 Ų165%0.0499%0.087CC..  trans-150.2173.8176.568.50000110.2F359 I361 P368 F550 Q554 D555 Y556F359-T552 HydrophobicContact CE1-CG2 3.83Å; F359-T552 WeakPolarHBondContact CE1-OG1 3.45Å; F359-T552 WeakPolarHBondContact CZ-OG1 3.37Å; I361-T552 HydrophobicContact CD1-CG2 3.96Å; I361-T552 HydrophobicContact CG1-CG2 4.25Å; P368-T552 HydrophobicContact CB-CG2 3.97Å; F550-T552 VanDerWaalsContact C-N 3.33Å; F550-T552 PolarHBondContact O-N 3.33Å; T552-Q554 PolarHBondContact O-N 3.07Å; T552-Q554 PolarHBondContact OG1-N 3.41Å; T552-D555 WeakPolarHBondContact O-CB 3.49Å; T552-D555 PolarHBondContact O-N 3.14Å; T552-D555 PolarHBondContact OG1-N 2.78Å; T552-Y556 PolarHBondContact O-N 2.67Å
553L88.8Confident91.5Very high31 Ų3115.2 Ų15.216%0.1628%0.08CC..Hα-helixtrans-59.3-34.3172.4178.160.3000112.1Y556 L557 V820 L825 M829 F1318L553-Y556 HydrophobicContact CD1-CD1 4Å; L553-Y556 WeakPolarHBondContact O-CB 3.22Å; L553-Y556 PolarHBondContact O-N 3.14Å; L553-L557 HydrophobicContact CD1-CD1 4.44Å; L553-L557 HydrophobicContact CD1-CG 4.26Å; L553-L557 HydrophobicContact CG-CD1 4.22Å; L553-L557 HydrophobicContact CG-CG 4.47Å; L553-L557 WeakPolarHBondContact O-CB 3.45Å; L553-L557 VanDerWaalsContact O-CG 3.32Å; L553-L557 WeakPolarHBondContact O-CG 3.35Å; L553-L557 PolarHBondContact O-N 3.31Å; L553-V820 HydrophobicContact CD2-CG2 4.26Å; L553-L825 HydrophobicContact CB-CD1 4.3Å; L553-L825 HydrophobicContact CD2-CD1 4.26Å; L553-M829 VanDerWaalsContact CA-SD 3.6Å; L553-M829 HydrophobicContact CB-SD 4.25Å; L553-M829 HydrophobicContact CD1-CE 4.12Å; L553-M829 PolarHBondContact N-SD 2.9Å; L553-F1318 HydrophobicContact CD1-CE1 3.95Å; L553-F1318 HydrophobicContact CD1-CE2 4.45Å; L553-F1318 HydrophobicContact CD1-CZ 3.51Å
554Q88.3Confident91.7Very high63 Ų6315.7 Ų15.729%0.2948%0.082SC..Hα-helixtrans-67.4-42.1177.2-174.2178.94.300111.7F359 T552 L557 L558F359-Q554 HydrophobicContact CZ-CB 4.47Å; T552-Q554 PolarHBondContact O-N 3.07Å; T552-Q554 PolarHBondContact OG1-N 3.41Å; Q554-L557 PolarHBondContact O-N 2.89Å; Q554-L558 VanDerWaalsContact O-CB 3.32Å; Q554-L558 WeakPolarHBondContact O-CB 3.47Å; Q554-L558 PolarHBondContact O-N 3.28Å
555D91.9Very high91.9Very high0 Ų016.9 Ų16.90%09%0.086CC..Hα-helixtrans-58.8-49.8172.6173.735000110.2F359 L551 T552 L557 L558 R559F359-D555 HydrophobicContact CE1-CB 4.16Å; F359-D555 HydrophobicContact CE2-CB 3.89Å; F359-D555 HydrophobicContact CZ-CB 3.55Å; L551-D555 HydrophobicContact CB-CB 4.01Å; L551-D555 WeakPolarHBondContact CB-OD2 3.38Å; L551-D555 PolarHBondContact N-OD2 2.87Å; T552-D555 WeakPolarHBondContact O-CB 3.49Å; T552-D555 PolarHBondContact O-N 3.14Å; T552-D555 PolarHBondContact OG1-N 2.78Å; D555-L557 PolarHBondContact O-N 3.42Å; D555-L558 PolarHBondContact O-N 2.89Å; D555-L558 VanDerWaalsContact O-N 3.17Å; D555-R559 VanDerWaalsContact CG-NE 3.35Å; D555-R559 WeakPolarHBondContact O-CG 3.49Å; D555-R559 PolarHBondContact O-N 2.94Å; D555-R559 IonicContact OD1-CZ 2.62Å; D555-R559 IonicContact OD1-NE 2.84Å; D555-R559 PolarHBondContact OD1-NE 3.3Å; D555-R559 IonicContact OD1-NH2 3.06Å; D555-R559 PolarHBondContact OD1-NH2 3.15Å; D555-R559 IonicContact OD2-CZ 3.05Å; D555-R559 IonicContact OD2-NE 2.63Å; D555-R559 PolarHBondContact OD2-NE 3.44Å; D555-R559 IonicContact OD2-NH2 3.19Å; D555-R559 PolarHBondContact OD2-NH2 3.22Å
556Y93.4Very high92.1Very high4 Ų415.4 Ų15.42%0.0168%0.08CC..Hα-helixtrans-53.1-50.2176.3171.4-104.7000112.7F550 T552 L553 L558 N560 M829 E1314 F1318F550-Y556 HydrophobicContact CD1-CD2 4.17Å; F550-Y556 AromaticContact CD2-CD2 3.58Å; F550-Y556 HydrophobicContact CD2-CD2 3.58Å; F550-Y556 HydrophobicContact CD2-CE2 4.38Å; F550-Y556 HydrophobicContact CD2-CG 4.27Å; F550-Y556 AromaticContact CE1-CD2 3.96Å; F550-Y556 HydrophobicContact CE1-CD2 3.96Å; F550-Y556 AromaticContact CE2-CD2 3.3Å; F550-Y556 HydrophobicContact CE2-CD2 3.3Å; F550-Y556 AromaticContact CE2-CE2 3.73Å; F550-Y556 HydrophobicContact CE2-CE2 3.73Å; F550-Y556 HydrophobicContact CE2-CG 4.38Å; F550-Y556 AromaticContact CG-CD2 4Å; F550-Y556 HydrophobicContact CG-CD2 4Å; F550-Y556 HydrophobicContact CG-CG 4.48Å; F550-Y556 AromaticContact CZ-CD2 3.54Å; F550-Y556 HydrophobicContact CZ-CD2 3.54Å; F550-Y556 AromaticContact CZ-CE2 3.93Å; F550-Y556 HydrophobicContact CZ-CE2 3.93Å; T552-Y556 PolarHBondContact O-N 2.67Å; L553-Y556 HydrophobicContact CD1-CD1 4Å; L553-Y556 WeakPolarHBondContact O-CB 3.22Å; L553-Y556 PolarHBondContact O-N 3.14Å; Y556-L558 PolarHBondContact O-N 2.9Å; Y556-N560 WeakPolarHBondContact CD2-ND2 3.36Å; Y556-N560 WeakPolarHBondContact CE2-ND2 3.25Å; Y556-N560 VanDerWaalsContact CZ-ND2 3.32Å; Y556-N560 PolarHBondContact O-N 3.44Å; Y556-N560 VanDerWaalsContact O-N 3.15Å; Y556-N560 PolarHBondContact O-ND2 2.98Å; Y556-M829 HydrophobicContact CG-CE 4.24Å; Y556-E1314 HydrophobicContact CE2-CG 4.28Å; Y556-E1314 VanDerWaalsContact CE2-OE1 3.24Å; Y556-E1314 WeakPolarHBondContact CE2-OE1 3.42Å; Y556-E1314 VanDerWaalsContact OH-CG 3.28Å; Y556-E1314 WeakPolarHBondContact OH-CG 3.31Å; Y556-F1318 AromaticContact CE1-CD1 3.93Å; Y556-F1318 HydrophobicContact CE1-CD1 3.93Å; Y556-F1318 HydrophobicContact CE1-CD2 4.29Å; Y556-F1318 HydrophobicContact CE1-CE1 4.11Å; Y556-F1318 HydrophobicContact CE1-CG 4.02Å; Y556-F1318 HydrophobicContact CE1-CZ 4.43Å
557L93Very high92.2Very high6 Ų615.9 Ų15.93%0.0318%0.082CC..Hα-helixtrans-64.4-39.6179.2-71.9175.2000112.1L553 Q554 D555 N560 F561 I810 L813 M814 I1315 F1318L553-L557 HydrophobicContact CD1-CD1 4.44Å; L553-L557 HydrophobicContact CD1-CG 4.26Å; L553-L557 HydrophobicContact CG-CD1 4.22Å; L553-L557 HydrophobicContact CG-CG 4.47Å; L553-L557 WeakPolarHBondContact O-CB 3.45Å; L553-L557 VanDerWaalsContact O-CG 3.32Å; L553-L557 WeakPolarHBondContact O-CG 3.35Å; L553-L557 PolarHBondContact O-N 3.31Å; Q554-L557 PolarHBondContact O-N 2.89Å; D555-L557 PolarHBondContact O-N 3.42Å; L557-N560 PolarHBondContact O-N 2.91Å; L557-F561 WeakPolarHBondContact O-CB 3.3Å; L557-F561 PolarHBondContact O-N 2.98Å; L557-I810 HydrophobicContact CD2-CG2 4.46Å; L557-L813 HydrophobicContact CD1-CB 4.09Å; L557-L813 HydrophobicContact CD2-CB 4.4Å; L557-L813 HydrophobicContact CD2-CD1 4.48Å; L557-M814 HydrophobicContact CB-CG 3.63Å; L557-M814 HydrophobicContact CB-SD 4.1Å; L557-M814 HydrophobicContact CD1-CG 3.84Å; L557-M814 HydrophobicContact CG-CG 4.37Å; L557-I1315 HydrophobicContact CD2-CD1 3.98Å; L557-F1318 HydrophobicContact CD2-CD1 4.22Å; L557-F1318 HydrophobicContact CD2-CE1 3.92Å
558L93Very high92.5Very high13 Ų1315 Ų157%0.0687%0.073CC..Hα-helixtrans-68.4-41.5179.9-175.857.5000112.6F355 I512 Q554 D555 Y556 N560 F561 N562 M814F355-L558 HydrophobicContact CE1-CD2 4.32Å; F355-L558 HydrophobicContact CE2-CD2 3.49Å; F355-L558 VanDerWaalsContact CE2-CD2 3.49Å; F355-L558 HydrophobicContact CZ-CD2 3.35Å; I512-L558 HydrophobicContact CD1-CD1 3.38Å; I512-L558 HydrophobicContact CG1-CD1 4.13Å; Q554-L558 VanDerWaalsContact O-CB 3.32Å; Q554-L558 WeakPolarHBondContact O-CB 3.47Å; Q554-L558 PolarHBondContact O-N 3.28Å; D555-L558 PolarHBondContact O-N 2.89Å; D555-L558 VanDerWaalsContact O-N 3.17Å; Y556-L558 PolarHBondContact O-N 2.9Å; L558-N560 VanDerWaalsContact C-N 3.31Å; L558-N560 PolarHBondContact O-N 3.46Å; L558-F561 PolarHBondContact O-N 3.47Å; L558-N562 WeakPolarHBondContact O-CB 3.36Å; L558-N562 PolarHBondContact O-N 3.47Å; L558-N562 PolarHBondContact O-ND2 3.4Å; L558-M814 HydrophobicContact CB-SD 4.45Å; L558-M814 HydrophobicContact CD1-SD 4.49Å
559R94.6Very high92.9Very high5 Ų514.4 Ų14.42%0.0197%0.069CC..Hα-helixtrans-59.7-45.4174.1-64.1-170.8-162.1-163.55.2110.5S311 Y356 P544 K545 L546 D555 N562 L563S311-R559 PolarHBondContact O-NH2 3.24Å; Y356-R559 PolarHBondContact OH-NE 2.97Å; P544-R559 HydrophobicContact CB-CB 4.08Å; P544-R559 HydrophobicContact CB-CG 3.76Å; P544-R559 HydrophobicContact CG-CB 4.46Å; K545-R559 VanDerWaalsContact O-CD 3.29Å; K545-R559 WeakPolarHBondContact O-CD 3.41Å; K545-R559 PolarHBondContact O-NH1 3.22Å; L546-R559 HydrophobicContact CD2-CB 3.89Å; D555-R559 VanDerWaalsContact CG-NE 3.35Å; D555-R559 WeakPolarHBondContact O-CG 3.49Å; D555-R559 PolarHBondContact O-N 2.94Å; D555-R559 IonicContact OD1-CZ 2.62Å; D555-R559 IonicContact OD1-NE 2.84Å; D555-R559 PolarHBondContact OD1-NE 3.3Å; D555-R559 IonicContact OD1-NH2 3.06Å; D555-R559 PolarHBondContact OD1-NH2 3.15Å; D555-R559 IonicContact OD2-CZ 3.05Å; D555-R559 IonicContact OD2-NE 2.63Å; D555-R559 PolarHBondContact OD2-NE 3.44Å; D555-R559 IonicContact OD2-NH2 3.19Å; D555-R559 PolarHBondContact OD2-NH2 3.22Å; R559-N562 PolarHBondContact O-N 3.43Å; R559-L563 WeakPolarHBondContact O-CB 3.28Å; R559-L563 VanDerWaalsContact O-CG 3.28Å; R559-L563 WeakPolarHBondContact O-CG 3.38Å; R559-L563 PolarHBondContact O-N 3.32Å
560N94.2Very high93.2Very high8 Ų812.7 Ų12.74%0.0436%0.061CC..Hα-helixtrans-63.9-43.5176.4-81.6-78.3000112.4Y556 L557 L558 N562 L563 F564 I1315Y556-N560 WeakPolarHBondContact CD2-ND2 3.36Å; Y556-N560 WeakPolarHBondContact CE2-ND2 3.25Å; Y556-N560 VanDerWaalsContact CZ-ND2 3.32Å; Y556-N560 PolarHBondContact O-N 3.44Å; Y556-N560 VanDerWaalsContact O-N 3.15Å; Y556-N560 PolarHBondContact O-ND2 2.98Å; L557-N560 PolarHBondContact O-N 2.91Å; L558-N560 VanDerWaalsContact C-N 3.31Å; L558-N560 PolarHBondContact O-N 3.46Å; N560-N562 PolarHBondContact O-N 3.47Å; N560-L563 PolarHBondContact O-N 2.81Å; N560-F564 WeakPolarHBondContact O-CB 3.37Å; N560-F564 PolarHBondContact O-N 3.11Å; N560-I1315 HydrophobicContact CB-CB 4.07Å; N560-I1315 HydrophobicContact CB-CD1 4.22Å; N560-I1315 HydrophobicContact CB-CG1 4.15Å
561F95.3Very high93.3Very high1 Ų114 Ų140%0.0047%0.067CC..Hα-helixtrans-56.3-51.1175.9-179.8-97.6000111.2I512 L515 L517 L557 L558 R565 L807 I810 R811 M814I512-F561 HydrophobicContact CG2-CD1 4.48Å; I512-F561 HydrophobicContact CG2-CE1 4.01Å; I512-F561 HydrophobicContact CG2-CE2 4.35Å; I512-F561 HydrophobicContact CG2-CZ 3.94Å; L515-F561 HydrophobicContact CD2-CE1 4.16Å; L515-F561 HydrophobicContact CD2-CZ 4.07Å; L517-F561 HydrophobicContact CD2-CE2 3.78Å; L517-F561 HydrophobicContact CD2-CZ 3.69Å; L557-F561 WeakPolarHBondContact O-CB 3.3Å; L557-F561 PolarHBondContact O-N 2.98Å; L558-F561 PolarHBondContact O-N 3.47Å; F561-R565 WeakPolarHBondContact O-CB 3.4Å; F561-R565 PolarHBondContact O-N 3.25Å; F561-L807 HydrophobicContact CD2-CD2 3.89Å; F561-L807 HydrophobicContact CE2-CB 4.24Å; F561-L807 HydrophobicContact CE2-CD2 3.95Å; F561-I810 HydrophobicContact CB-CG2 3.75Å; F561-I810 HydrophobicContact CD2-CB 4.22Å; F561-I810 HydrophobicContact CD2-CG2 4.12Å; F561-I810 HydrophobicContact CG-CG2 4.43Å; F561-R811 HydrophobicContact CE2-CB 4.33Å; F561-M814 HydrophobicContact CB-CE 4.25Å; F561-M814 HydrophobicContact CD2-CE 4.1Å; F561-M814 HydrophobicContact CG-CE 4.12Å
562N94.5Very high93.5Very high42 Ų4214 Ų1423%0.2257%0.067CC..Hα-helixtrans-64.5-47.2-178.8-75.2-30.3000112P544 L558 R559 N560 R565 L566P544-N562 HydrophobicContact CG-CB 4.19Å; L558-N562 WeakPolarHBondContact O-CB 3.36Å; L558-N562 PolarHBondContact O-N 3.47Å; L558-N562 PolarHBondContact O-ND2 3.4Å; R559-N562 PolarHBondContact O-N 3.43Å; N560-N562 PolarHBondContact O-N 3.47Å; N562-R565 PolarHBondContact O-N 2.95Å; N562-L566 VanDerWaalsContact O-CG 3.26Å; N562-L566 WeakPolarHBondContact O-CG 3.28Å; N562-L566 PolarHBondContact O-N 3.49Å
563L95.2Very high93.8Very high1 Ų114.6 Ų14.61%0.0057%0.069CC..Hα-helixtrans-65.5-44.7-179.6-69.9175.4000112.4P544 L546 R559 N560 R565 L566 E567 S1359 M1361P544-L563 HydrophobicContact CG-CD2 4.12Å; P544-L563 HydrophobicContact CG-CG 4.04Å; L546-L563 HydrophobicContact CD1-CD1 4Å; L546-L563 HydrophobicContact CD2-CD1 4.08Å; L546-L563 HydrophobicContact CG-CD1 3.65Å; R559-L563 WeakPolarHBondContact O-CB 3.28Å; R559-L563 VanDerWaalsContact O-CG 3.28Å; R559-L563 WeakPolarHBondContact O-CG 3.38Å; R559-L563 PolarHBondContact O-N 3.32Å; N560-L563 PolarHBondContact O-N 2.81Å; L563-R565 VanDerWaalsContact C-N 3.31Å; L563-R565 PolarHBondContact O-N 3.47Å; L563-L566 PolarHBondContact O-N 3.38Å; L563-E567 VanDerWaalsContact O-CB 3.28Å; L563-E567 WeakPolarHBondContact O-CB 3.38Å; L563-E567 PolarHBondContact O-N 2.96Å; L563-S1359 VanDerWaalsContact CD2-OG 3.31Å; L563-S1359 WeakPolarHBondContact CD2-OG 3.44Å; L563-M1361 HydrophobicContact CB-SD 4.14Å
564F94.5Very high94Very high17 Ų1716.4 Ų16.48%0.0758%0.076CC..Hα-helixtrans-65.6-36.4177.9-167.6-86.4000111.6N560 S568 F803 V806 L807 L1313 M1361N560-F564 WeakPolarHBondContact O-CB 3.37Å; N560-F564 PolarHBondContact O-N 3.11Å; F564-S568 WeakPolarHBondContact O-CB 3.33Å; F564-S568 PolarHBondContact O-N 3.35Å; F564-S568 PolarHBondContact O-OG 2.92Å; F564-F803 HydrophobicContact CE1-CB 4.12Å; F564-V806 HydrophobicContact CD1-CB 4.4Å; F564-V806 HydrophobicContact CD1-CG1 4.07Å; F564-V806 HydrophobicContact CD2-CG1 4.34Å; F564-V806 HydrophobicContact CE1-CB 3.63Å; F564-V806 HydrophobicContact CE1-CG1 3.65Å; F564-V806 HydrophobicContact CE1-CG2 4.34Å; F564-V806 HydrophobicContact CE2-CG1 3.96Å; F564-V806 HydrophobicContact CG-CG1 4.39Å; F564-V806 HydrophobicContact CZ-CB 3.72Å; F564-V806 HydrophobicContact CZ-CG1 3.6Å; F564-V806 HydrophobicContact CZ-CG2 3.98Å; F564-L807 HydrophobicContact CB-CD2 4.37Å; F564-L807 HydrophobicContact CD1-CD2 3.76Å; F564-L807 HydrophobicContact CD1-CG 3.91Å; F564-L807 HydrophobicContact CE1-CG 4.35Å; F564-L1313 HydrophobicContact CE2-CD1 4.43Å; F564-M1361 HydrophobicContact CB-CE 4.49Å; F564-M1361 HydrophobicContact CD2-CE 4.26Å
565R95.4Very high94.3Very high33 Ų3315 Ų1513%0.1257%0.071CC..Hα-helixtrans-63.6-44.5173.4-169.9-177.768.9-168.4-1.8111.7F561 N562 L563 S568 T569 L807F561-R565 WeakPolarHBondContact O-CB 3.4Å; F561-R565 PolarHBondContact O-N 3.25Å; N562-R565 PolarHBondContact O-N 2.95Å; L563-R565 VanDerWaalsContact C-N 3.31Å; L563-R565 PolarHBondContact O-N 3.47Å; R565-S568 WeakPolarHBondContact CA-OG 3.42Å; R565-S568 PolarHBondContact O-OG 3.23Å; R565-T569 VanDerWaalsContact O-CB 3.31Å; R565-T569 WeakPolarHBondContact O-CB 3.48Å; R565-T569 PolarHBondContact O-N 3.4Å; R565-T569 PolarHBondContact O-OG1 3.14Å; R565-L807 HydrophobicContact CB-CD1 4.25Å; R565-L807 HydrophobicContact CB-CD2 3.9Å; R565-L807 HydrophobicContact CG-CD1 4.17Å
566L95.4Very high94.4Very high12 Ų1215 Ų156%0.0637%0.071CC..Hα-helixtrans-68.7-38.7178.8-67.6173.9000112.1L523 R529 V530 L543 N562 L563 T569 Y570 F1355L523-L566 HydrophobicContact CD1-CD2 4.05Å; R529-L566 HydrophobicContact CB-CD2 4.18Å; V530-L566 HydrophobicContact CG2-CD2 3.88Å; L543-L566 HydrophobicContact CD2-CD1 3.39Å; N562-L566 VanDerWaalsContact O-CG 3.26Å; N562-L566 WeakPolarHBondContact O-CG 3.28Å; N562-L566 PolarHBondContact O-N 3.49Å; L563-L566 PolarHBondContact O-N 3.38Å; L566-T569 WeakPolarHBondContact O-CB 3.33Å; L566-T569 PolarHBondContact O-N 2.99Å; L566-Y570 PolarHBondContact O-N 3.47Å; L566-F1355 VanDerWaalsContact C-CE2 3.46Å; L566-F1355 HydrophobicContact CB-CE1 4.05Å; L566-F1355 HydrophobicContact CB-CE2 4.03Å; L566-F1355 HydrophobicContact CB-CZ 3.62Å; L566-F1355 HydrophobicContact CD1-CE1 4.45Å; L566-F1355 WeakPolarHBondContact O-CE2 3.37Å
567E93.9Very high94.5Very high12 Ų1217.1 Ų17.16%0.0568%0.081CC..Hα-helixtrans-65-49176.9-169.8-90.8173.300111.9L563 T569 Y570 E571 V1350 F1355 M1361L563-E567 VanDerWaalsContact O-CB 3.28Å; L563-E567 WeakPolarHBondContact O-CB 3.38Å; L563-E567 PolarHBondContact O-N 2.96Å; E567-T569 VanDerWaalsContact C-N 3.29Å; E567-T569 PolarHBondContact O-N 3.13Å; E567-Y570 WeakPolarHBondContact O-CB 3.5Å; E567-Y570 PolarHBondContact O-N 3.5Å; E567-Y570 VanDerWaalsContact O-N 3.11Å; E567-E571 PolarHBondContact O-N 3.44Å; E567-V1350 HydrophobicContact CG-CG1 4.14Å; E567-F1355 HydrophobicContact CB-CD2 3.95Å; E567-F1355 HydrophobicContact CB-CE2 4.34Å; E567-F1355 HydrophobicContact CG-CD2 4.31Å; E567-M1361 HydrophobicContact CB-CE 3.61Å; E567-M1361 HydrophobicContact CB-SD 3.81Å; E567-M1361 HydrophobicContact CG-CE 3.71Å; E567-M1361 HydrophobicContact CG-SD 3.92Å
568S93.8Very high94.4Very high3 Ų320.4 Ų20.42%0.02110%0.098CC..Hα-helixtrans-62.3-35.8173.153.50000112.7F564 R565 Y570 E571 I572 F803F564-S568 WeakPolarHBondContact O-CB 3.33Å; F564-S568 PolarHBondContact O-N 3.35Å; F564-S568 PolarHBondContact O-OG 2.92Å; R565-S568 WeakPolarHBondContact CA-OG 3.42Å; R565-S568 PolarHBondContact O-OG 3.23Å; S568-Y570 VanDerWaalsContact C-N 3.33Å; S568-Y570 PolarHBondContact O-N 2.92Å; S568-E571 PolarHBondContact O-N 2.91Å; S568-I572 WeakPolarHBondContact O-CB 3.38Å; S568-I572 WeakPolarHBondContact O-CD1 3.32Å; S568-I572 WeakPolarHBondContact O-CG1 3.34Å; S568-I572 PolarHBondContact O-N 3.01Å; S568-F803 VanDerWaalsContact CB-CB 3.47Å
569T95.7Very high94.6Very high1 Ų119.8 Ų19.81%0.00610%0.095CC..Hα-helixtrans-61.9-41.2173.5-60.40000111.6P519 L523 I524 V530 R565 L566 E567 I572 R573P519-T569 HydrophobicContact CB-CG2 3.72Å; P519-T569 HydrophobicContact CG-CG2 4.19Å; L523-T569 HydrophobicContact CD2-CG2 4.46Å; L523-T569 HydrophobicContact CG-CG2 4.23Å; I524-T569 HydrophobicContact CB-CG2 4.36Å; I524-T569 HydrophobicContact CG1-CG2 3.89Å; V530-T569 HydrophobicContact CG2-CG2 3.95Å; R565-T569 VanDerWaalsContact O-CB 3.31Å; R565-T569 WeakPolarHBondContact O-CB 3.48Å; R565-T569 PolarHBondContact O-N 3.4Å; R565-T569 PolarHBondContact O-OG1 3.14Å; L566-T569 WeakPolarHBondContact O-CB 3.33Å; L566-T569 PolarHBondContact O-N 2.99Å; E567-T569 VanDerWaalsContact C-N 3.29Å; E567-T569 PolarHBondContact O-N 3.13Å; T569-I572 PolarHBondContact O-N 3.34Å; T569-R573 PolarHBondContact O-N 3.3Å
570Y95.1Very high94.6Very high6 Ų619.6 Ų19.62%0.02410%0.095CC..Hα-helixtrans-63.2-41.6174.6174.7-93.7000112V530 P531 E533 L566 E567 S568 R573 Q574 K1351 N1352V530-Y570 HydrophobicContact CG1-CD2 4.16Å; P531-Y570 WeakPolarHBondContact O-CD2 3.31Å; E533-Y570 WeakPolarHBondContact CA-OH 3.48Å; E533-Y570 WeakPolarHBondContact CB-OH 3.38Å; E533-Y570 VanDerWaalsContact CG-OH 3.3Å; E533-Y570 WeakPolarHBondContact CG-OH 3.44Å; L566-Y570 PolarHBondContact O-N 3.47Å; E567-Y570 WeakPolarHBondContact O-CB 3.5Å; E567-Y570 PolarHBondContact O-N 3.5Å; E567-Y570 VanDerWaalsContact O-N 3.11Å; S568-Y570 VanDerWaalsContact C-N 3.33Å; S568-Y570 PolarHBondContact O-N 2.92Å; Y570-R573 WeakPolarHBondContact O-CB 3.33Å; Y570-R573 PolarHBondContact O-N 3.45Å; Y570-Q574 VanDerWaalsContact CE1-CD 3.47Å; Y570-Q574 HydrophobicContact CE1-CG 4.09Å; Y570-Q574 PolarHBondContact O-N 2.92Å; Y570-Q574 VanDerWaalsContact O-N 3.11Å; Y570-Q574 PolarHBondContact OH-NE2 3.26Å; Y570-K1351 HydrophobicContact CD1-CB 4.16Å; Y570-K1351 HydrophobicContact CE1-CB 4.03Å; Y570-N1352 HydrophobicContact CD1-CB 3.73Å; Y570-N1352 HydrophobicContact CD2-CB 4.2Å; Y570-N1352 WeakPolarHBondContact CD2-ND2 3.49Å; Y570-N1352 HydrophobicContact CE1-CB 3.94Å; Y570-N1352 HydrophobicContact CE2-CB 4.37Å; Y570-N1352 WeakPolarHBondContact CE2-ND2 3.41Å; Y570-N1352 HydrophobicContact CG-CB 3.86Å
571E93.8Very high94.5Very high27 Ų2722.1 Ų22.113%0.12611%0.11CC..Hα-helixtrans-63.2-43174.3-60-162.2151.700112.1E567 S568 R573 Q574 D575 R796 K1351E567-E571 PolarHBondContact O-N 3.44Å; S568-E571 PolarHBondContact O-N 2.91Å; E571-R573 VanDerWaalsContact C-N 3.29Å; E571-R573 PolarHBondContact O-N 3.08Å; E571-Q574 PolarHBondContact O-N 3.49Å; E571-Q574 VanDerWaalsContact O-N 3.17Å; E571-D575 PolarHBondContact O-N 2.99Å; E571-R796 IonicContact OE2-CZ 2.77Å; E571-R796 IonicContact OE2-NH2 3.6Å; E571-R796 PolarHBondContact OE2-NH2 3.4Å; E571-K1351 HydrophobicContact CG-CG 3.95Å; E571-K1351 WeakPolarHBondContact OE1-CE 3.17Å; E571-K1351 WeakPolarHBondContact OE1-CG 3.38Å
572I95.3Very high94.5Very high0 Ų028.2 Ų28.20%013%0.133CC..Hα-helixtrans-60.3-41.4176.3-69.4160.1000110.2P519 I524 S568 T569 Q574 D575 I576 F655 F803P519-I572 HydrophobicContact CG-CD1 3.72Å; P519-I572 HydrophobicContact CG-CG2 4.33Å; I524-I572 HydrophobicContact CD1-CG2 4.47Å; S568-I572 WeakPolarHBondContact O-CB 3.38Å; S568-I572 WeakPolarHBondContact O-CD1 3.32Å; S568-I572 WeakPolarHBondContact O-CG1 3.34Å; S568-I572 PolarHBondContact O-N 3.01Å; T569-I572 PolarHBondContact O-N 3.34Å; I572-Q574 PolarHBondContact O-N 3.47Å; I572-D575 PolarHBondContact O-N 3.31Å; I572-I576 HydrophobicContact CG2-CD1 3.56Å; I572-I576 HydrophobicContact CG2-CG1 4.19Å; I572-I576 WeakPolarHBondContact O-CB 3.5Å; I572-I576 VanDerWaalsContact O-CG1 3.24Å; I572-I576 WeakPolarHBondContact O-CG1 3.02Å; I572-I576 PolarHBondContact O-N 2.86Å; I572-F655 HydrophobicContact CB-CZ 4.45Å; I572-F655 HydrophobicContact CD1-CE1 4.18Å; I572-F655 HydrophobicContact CD1-CZ 3.61Å; I572-F655 HydrophobicContact CG1-CE2 4.28Å; I572-F655 HydrophobicContact CG1-CZ 3.76Å; I572-F655 HydrophobicContact CG2-CD1 4.43Å; I572-F655 HydrophobicContact CG2-CE1 3.87Å; I572-F655 HydrophobicContact CG2-CE2 4.27Å; I572-F655 HydrophobicContact CG2-CZ 3.79Å; I572-F803 HydrophobicContact CD1-CD1 4.46Å; I572-F803 HydrophobicContact CD1-CD2 4.27Å; I572-F803 HydrophobicContact CD1-CE1 4.13Å; I572-F803 HydrophobicContact CD1-CE2 3.94Å; I572-F803 HydrophobicContact CD1-CZ 3.87Å
573R95.3Very high94.4Very high22 Ų2226.4 Ų26.48%0.08312%0.124CC..Hα-helixtrans-54.9-51.2173-175.3-177.1172.5159.7-2.2111.1I524 T569 Y570 E571 D575 I576 E577I524-R573 HydrophobicContact CG2-CB 3.71Å; I524-R573 HydrophobicContact CG2-CG 3.86Å; I524-R573 WeakPolarHBondContact O-CD 3.38Å; T569-R573 PolarHBondContact O-N 3.3Å; Y570-R573 WeakPolarHBondContact O-CB 3.33Å; Y570-R573 PolarHBondContact O-N 3.45Å; E571-R573 VanDerWaalsContact C-N 3.29Å; E571-R573 PolarHBondContact O-N 3.08Å; R573-D575 VanDerWaalsContact C-N 3.34Å; R573-D575 PolarHBondContact O-N 3.4Å; R573-I576 PolarHBondContact O-N 2.86Å; R573-E577 HydrophobicContact CG-CG 4.24Å; R573-E577 WeakPolarHBondContact CG-OE1 3.45Å; R573-E577 IonicContact CZ-OE1 3.06Å; R573-E577 IonicContact NE-OE1 3.88Å; R573-E577 PolarHBondContact NE-OE1 2.92Å; R573-E577 IonicContact NH2-OE1 3.24Å; R573-E577 PolarHBondContact NH2-OE1 2.86Å; R573-E577 WeakPolarHBondContact O-CB 3.44Å; R573-E577 VanDerWaalsContact O-CG 3.3Å; R573-E577 WeakPolarHBondContact O-CG 3.44Å; R573-E577 PolarHBondContact O-N 2.91Å
574Q92.9Very high94.4Very high68 Ų6833 Ų3332%0.31815%0.152SC..Hα-helixtrans-60.9-43.1-179.7-68.3-173-43.400112.1Y570 E571 I572 D578Y570-Q574 VanDerWaalsContact CE1-CD 3.47Å; Y570-Q574 HydrophobicContact CE1-CG 4.09Å; Y570-Q574 PolarHBondContact O-N 2.92Å; Y570-Q574 VanDerWaalsContact O-N 3.11Å; Y570-Q574 PolarHBondContact OH-NE2 3.26Å; E571-Q574 PolarHBondContact O-N 3.49Å; E571-Q574 VanDerWaalsContact O-N 3.17Å; I572-Q574 PolarHBondContact O-N 3.47Å; Q574-D578 WeakPolarHBondContact O-CB 3.15Å; Q574-D578 PolarHBondContact O-N 3.28Å
575D93.7Very high94.3Very high34 Ų3432.3 Ų32.318%0.18215%0.15CC..Hα-helixtrans-64.2-42.3178.2-74-25.9000111.6E571 I572 R573 A579 R796E571-D575 PolarHBondContact O-N 2.99Å; I572-D575 PolarHBondContact O-N 3.31Å; R573-D575 VanDerWaalsContact C-N 3.34Å; R573-D575 PolarHBondContact O-N 3.4Å; D575-A579 WeakPolarHBondContact O-CB 3.48Å; D575-A579 PolarHBondContact O-N 3.43Å; D575-R796 IonicContact OD2-CZ 3.64Å; D575-R796 IonicContact OD2-NE 2.77Å; D575-R796 PolarHBondContact OD2-NE 3.01Å; D575-R796 IonicContact OD2-NH2 3.44Å; D575-R796 PolarHBondContact OD2-NH2 3.23Å
576I95.7Very high94.3Very high1 Ų132.7 Ų32.71%0.00515%0.151CC..Hα-helixtrans-68.1-46.3177.8-68.4173.4000111I524 W525 I572 R573 A579 I580 L681 V684 I794I524-I576 HydrophobicContact CD1-CD1 4.15Å; W525-I576 HydrophobicContact CH2-CG2 4.04Å; W525-I576 HydrophobicContact CZ2-CG2 4.22Å; I572-I576 HydrophobicContact CG2-CD1 3.56Å; I572-I576 HydrophobicContact CG2-CG1 4.19Å; I572-I576 WeakPolarHBondContact O-CB 3.5Å; I572-I576 VanDerWaalsContact O-CG1 3.24Å; I572-I576 WeakPolarHBondContact O-CG1 3.02Å; I572-I576 PolarHBondContact O-N 2.86Å; R573-I576 PolarHBondContact O-N 2.86Å; I576-A579 PolarHBondContact O-N 3.36Å; I576-I580 HydrophobicContact CG2-CD1 3.47Å; I576-I580 VanDerWaalsContact CG2-CD1 3.47Å; I576-I580 HydrophobicContact CG2-CG1 4.18Å; I576-I580 WeakPolarHBondContact O-CB 3.39Å; I576-I580 WeakPolarHBondContact O-CG1 3.49Å; I576-I580 PolarHBondContact O-N 3.06Å; I576-L681 HydrophobicContact CG2-CD1 4.12Å; I576-V684 HydrophobicContact CD1-CG1 3.81Å; I576-V684 HydrophobicContact CD1-CG2 4.36Å; I576-I794 HydrophobicContact CB-CD1 4.49Å; I576-I794 HydrophobicContact CG1-CD1 4.19Å; I576-I794 HydrophobicContact CG2-CD1 4.21Å
577E94.2Very high94.2Very high47 Ų4738.8 Ų38.822%0.2217%0.173CC..Hα-helixtrans-60.6-48.7179.5-72.8-177.4177.500111.1W525 R573 A579 I580 V581 F675W525-E577 PolarHBondContact NE1-OE1 3.15Å; R573-E577 HydrophobicContact CG-CG 4.24Å; R573-E577 WeakPolarHBondContact CG-OE1 3.45Å; R573-E577 IonicContact CZ-OE1 3.06Å; R573-E577 IonicContact NE-OE1 3.88Å; R573-E577 PolarHBondContact NE-OE1 2.92Å; R573-E577 IonicContact NH2-OE1 3.24Å; R573-E577 PolarHBondContact NH2-OE1 2.86Å; R573-E577 WeakPolarHBondContact O-CB 3.44Å; R573-E577 VanDerWaalsContact O-CG 3.3Å; R573-E577 WeakPolarHBondContact O-CG 3.44Å; R573-E577 PolarHBondContact O-N 2.91Å; E577-A579 VanDerWaalsContact C-N 3.34Å; E577-A579 PolarHBondContact O-N 3.44Å; E577-I580 PolarHBondContact O-N 2.9Å; E577-V581 WeakPolarHBondContact O-CB 3.3Å; E577-V581 WeakPolarHBondContact O-CG2 3.29Å; E577-V581 PolarHBondContact O-N 3.34Å; E577-F675 HydrophobicContact CB-CD2 4.33Å; E577-F675 HydrophobicContact CB-CE2 3.93Å; E577-F675 HydrophobicContact CB-CZ 4.09Å; E577-F675 HydrophobicContact CG-CD1 3.92Å; E577-F675 HydrophobicContact CG-CD2 3.76Å; E577-F675 HydrophobicContact CG-CE1 3.9Å; E577-F675 HydrophobicContact CG-CE2 3.75Å; E577-F675 HydrophobicContact CG-CG 3.86Å; E577-F675 HydrophobicContact CG-CZ 3.83Å
578D92.2Very high94.1Very high75 Ų7538.4 Ų38.440%0.40117%0.173SC..Hα-helixtrans-61.1-43.4176.3-179.673.6000111.5Q574 R582Q574-D578 WeakPolarHBondContact O-CB 3.15Å; Q574-D578 PolarHBondContact O-N 3.28Å; D578-R582 VanDerWaalsContact CG-NE 3.27Å; D578-R582 WeakPolarHBondContact O-CD 3.43Å; D578-R582 WeakPolarHBondContact O-CG 3.3Å; D578-R582 PolarHBondContact O-N 3.49Å; D578-R582 IonicContact OD1-CZ 3.41Å; D578-R582 IonicContact OD1-NE 2.77Å; D578-R582 PolarHBondContact OD1-NE 2.81Å; D578-R582 IonicContact OD1-NH2 2.63Å; D578-R582 PolarHBondContact OD1-NH2 3.39Å; D578-R582 IonicContact OD2-CZ 2.81Å; D578-R582 IonicContact OD2-NE 3.75Å; D578-R582 PolarHBondContact OD2-NE 3.1Å; D578-R582 IonicContact OD2-NH2 3.04Å
579A95.3Very high93.9Very high0 Ų047 Ų470%021%0.213CC..Hα-helixtrans-66-44-178.100000112.8D575 I576 E577 L583 A602 I794D575-A579 WeakPolarHBondContact O-CB 3.48Å; D575-A579 PolarHBondContact O-N 3.43Å; I576-A579 PolarHBondContact O-N 3.36Å; E577-A579 VanDerWaalsContact C-N 3.34Å; E577-A579 PolarHBondContact O-N 3.44Å; A579-L583 WeakPolarHBondContact O-CG 3.38Å; A579-L583 PolarHBondContact O-N 2.62Å; A579-A602 HydrophobicContact CB-CB 3.9Å; A579-I794 HydrophobicContact CB-CD1 4.33Å; A579-I794 HydrophobicContact CB-CG2 4.2Å
580I95.4Very high93.5Very high2 Ų255.5 Ų55.51%0.0125%0.25CC..Hα-helixtrans-74.5-40.8-176.6-69.1178.1000111.8I576 E577 R582 L583 K584 V657 I659 F675 V679 L681 I794I576-I580 HydrophobicContact CG2-CD1 3.47Å; I576-I580 VanDerWaalsContact CG2-CD1 3.47Å; I576-I580 HydrophobicContact CG2-CG1 4.18Å; I576-I580 WeakPolarHBondContact O-CB 3.39Å; I576-I580 WeakPolarHBondContact O-CG1 3.49Å; I576-I580 PolarHBondContact O-N 3.06Å; E577-I580 PolarHBondContact O-N 2.9Å; I580-R582 PolarHBondContact O-N 3.36Å; I580-L583 PolarHBondContact O-N 2.99Å; I580-K584 PolarHBondContact O-N 3.3Å; I580-V657 HydrophobicContact CD1-CG1 4.12Å; I580-I659 HydrophobicContact CB-CD1 4.45Å; I580-I659 HydrophobicContact CD1-CD1 3.81Å; I580-I659 HydrophobicContact CG1-CD1 3.85Å; I580-I659 HydrophobicContact CG2-CD1 3.87Å; I580-F675 HydrophobicContact CB-CZ 4.05Å; I580-F675 HydrophobicContact CD1-CE1 4.49Å; I580-F675 HydrophobicContact CG2-CZ 4.03Å; I580-V679 HydrophobicContact CG2-CB 4.04Å; I580-V679 HydrophobicContact CG2-CG1 4.1Å; I580-V679 HydrophobicContact CG2-CG2 4.07Å; I580-L681 HydrophobicContact CD1-CD1 3.59Å; I580-I794 HydrophobicContact CD1-CD1 4.39Å; I580-I794 HydrophobicContact CG1-CD1 4.14Å
581V92.8Very high93Very high60 Ų6056.9 Ų56.936%0.36427%0.266SS..Hα-helixtrans-58-36.6176.4171.50000110.7E577 K584 F669 F675E577-V581 WeakPolarHBondContact O-CB 3.3Å; E577-V581 WeakPolarHBondContact O-CG2 3.29Å; E577-V581 PolarHBondContact O-N 3.34Å; V581-K584 PolarHBondContact O-N 3.26Å; V581-F669 HydrophobicContact CG2-CD2 4.45Å; V581-F669 HydrophobicContact CG2-CG 4.42Å; V581-F675 HydrophobicContact CG2-CE2 3.75Å; V581-F675 HydrophobicContact CG2-CZ 4.49Å
582R93.9Very high92.8Very high130 Ų13060 Ų6049%0.49128%0.281SS..Hα-helixtrans-70-29.5177-72.6174.4-170.9-70.9-12.3114.2D578 I580 K584 G597 W598D578-R582 VanDerWaalsContact CG-NE 3.27Å; D578-R582 WeakPolarHBondContact O-CD 3.43Å; D578-R582 WeakPolarHBondContact O-CG 3.3Å; D578-R582 PolarHBondContact O-N 3.49Å; D578-R582 IonicContact OD1-CZ 3.41Å; D578-R582 IonicContact OD1-NE 2.77Å; D578-R582 PolarHBondContact OD1-NE 2.81Å; D578-R582 IonicContact OD1-NH2 2.63Å; D578-R582 PolarHBondContact OD1-NH2 3.39Å; D578-R582 IonicContact OD2-CZ 2.81Å; D578-R582 IonicContact OD2-NE 3.75Å; D578-R582 PolarHBondContact OD2-NE 3.1Å; D578-R582 IonicContact OD2-NH2 3.04Å; I580-R582 PolarHBondContact O-N 3.36Å; R582-K584 VanDerWaalsContact C-N 3.28Å; R582-K584 PolarHBondContact O-N 3.28Å; R582-G597 CarbonylContact O-C 3.52Å; R582-G597 WeakPolarHBondContact O-CA 3.41Å; R582-W598 PolarHBondContact O-N 2.58Å
583L94Very high92.7Very high4 Ų461.2 Ų61.22%0.02129%0.291CS..Hα-helixtrans-72.7-17.9177.7-71.2177.8000113.6A579 I580 A585 F595 D596 G597 A602 V792A579-L583 WeakPolarHBondContact O-CG 3.38Å; A579-L583 PolarHBondContact O-N 2.62Å; I580-L583 PolarHBondContact O-N 2.99Å; L583-A585 PolarHBondContact O-N 3.35Å; L583-F595 HydrophobicContact CB-CD1 4Å; L583-F595 HydrophobicContact CD1-CD1 4.38Å; L583-F595 HydrophobicContact CD1-CE1 4.48Å; L583-D596 PolarHBondContact O-N 3.04Å; L583-G597 VanDerWaalsContact O-CA 3.28Å; L583-G597 WeakPolarHBondContact O-CA 3.3Å; L583-G597 PolarHBondContact O-N 2.9Å; L583-A602 HydrophobicContact CD1-CB 3.89Å; L583-A602 HydrophobicContact CG-CB 4.37Å; L583-V792 HydrophobicContact CD1-CG1 3.77Å; L583-V792 HydrophobicContact CD1-CG2 4.15Å
584K93.5Very high92.6Very high138 Ų13862 Ų6260%0.630%0.298SS*.  trans47.556.7178.1-58.6-176.5179.5179.20112.8I580 V581 R582I580-K584 PolarHBondContact O-N 3.3Å; V581-K584 PolarHBondContact O-N 3.26Å; R582-K584 VanDerWaalsContact C-N 3.28Å; R582-K584 PolarHBondContact O-N 3.28Å
585A93.7Very high92.7Very high4 Ų460.9 Ų60.93%0.03329%0.292CS..EExtended strand (participates in β ladder)trans-65.9138.8179.200000112L583 V594 F595 I659 P661 W667L583-A585 PolarHBondContact O-N 3.35Å; A585-V594 CarbonylContact C-O 3.56Å; A585-V594 VanDerWaalsContact CA-O 3.32Å; A585-V594 WeakPolarHBondContact CA-O 3.15Å; A585-F595 HydrophobicContact CB-CD1 3.76Å; A585-F595 HydrophobicContact CB-CE1 3.72Å; A585-I659 HydrophobicContact CB-CG2 3.93Å; A585-P661 HydrophobicContact CB-CB 4.32Å; A585-P661 HydrophobicContact CB-CG 4.34Å; A585-W667 PolarHBondContact O-NE1 2.71Å
586W94.5Very high92.5Very high40 Ų4063.4 Ų63.415%0.15231%0.306CS..EExtended strand (participates in β ladder)trans-147.4160.3175.562.4-85.3000111.4G588 V594 D596 P661 Q665W586-G588 PolarHBondContact O-N 2.83Å; W586-V594 HydrophobicContact CD2-CB 4.01Å; W586-V594 HydrophobicContact CD2-CG1 4.49Å; W586-V594 HydrophobicContact CH2-CB 4.24Å; W586-V594 HydrophobicContact CH2-CG1 4.24Å; W586-V594 HydrophobicContact CH2-CG2 4.23Å; W586-V594 HydrophobicContact CZ2-CB 3.69Å; W586-V594 HydrophobicContact CZ2-CG1 3.4Å; W586-V594 VanDerWaalsContact CZ2-CG1 3.4Å; W586-V594 HydrophobicContact CZ2-CG2 4.16Å; W586-V594 PolarHBondContact N-O 3.4Å; W586-V594 PolarHBondContact O-N 3.01Å; W586-D596 PolarHBondContact NE1-OD1 3.21Å; W586-D596 PolarHBondContact NE1-OD2 3.5Å; W586-D596 VanDerWaalsContact NE1-OD2 3.1Å; W586-P661 WeakPolarHBondContact O-CG 3.49Å; W586-Q665 HydrophobicContact CD2-CB 3.77Å; W586-Q665 HydrophobicContact CD2-CG 3.97Å; W586-Q665 HydrophobicContact CE3-CB 3.76Å; W586-Q665 HydrophobicContact CE3-CG 4.39Å; W586-Q665 HydrophobicContact CG-CB 4.22Å; W586-Q665 HydrophobicContact CG-CG 4.31Å; W586-Q665 HydrophobicContact CH2-CB 4.46Å; W586-Q665 HydrophobicContact CZ2-CB 4.44Å; W586-Q665 HydrophobicContact CZ2-CG 4.15Å; W586-Q665 HydrophobicContact CZ3-CB 4.13Å
587R94.5Very high92.2Very high140 Ų14064.3 Ų64.353%0.52832%0.315SS..EExtended strand (participates in β ladder)trans-79.3112.7-175.3-169.7179.8169.51800.6111.5P661 K663R587-P661 VanDerWaalsContact CB-O 3.27Å; R587-P661 WeakPolarHBondContact CB-O 3.05Å; R587-K663 WeakPolarHBondContact CB-O 3.27Å; R587-K663 PolarHBondContact N-O 3.35Å
588G92Very high92Very high5 Ų568 Ų685%0.05233%0.328CS..  trans-67.7171.3172.100000113.6W586 F590 G591 Q592W586-G588 PolarHBondContact O-N 2.83Å; G588-F590 VanDerWaalsContact C-N 3.32Å; G588-F590 PolarHBondContact O-N 3.4Å; G588-G591 PolarHBondContact O-N 3.21Å; G588-Q592 PolarHBondContact N-O 3.35Å
589E88.2Confident92.1Very high182 Ų18264.5 Ų64.585%0.8531%0.309SS*.THydrogen-bonded Turntrans-59-37.4-174.9-63-178169.200113.7G591E589-G591 VanDerWaalsContact C-N 3.32Å
590F88.4Confident92Very high180 Ų18070.5 Ų70.579%0.78933%0.331SS*.THydrogen-bonded Turntrans-94.714.4177.4-45.2-81.1000112.8G588 Q592G588-F590 VanDerWaalsContact C-N 3.32Å; G588-F590 PolarHBondContact O-N 3.4Å; F590-Q592 VanDerWaalsContact C-N 3.3Å; F590-Q592 PolarHBondContact O-N 2.77Å
591G84.1Confident92Very high36 Ų3671.9 Ų71.937%0.37134%0.338SS..SBendtrans80.52.9-17700000114.9G588 E589G588-G591 PolarHBondContact O-N 3.21Å; E589-G591 VanDerWaalsContact C-N 3.32Å
592Q89.3Confident92.2Very high92 Ų9269 Ų6943%0.4332%0.321SS..  trans-67.5150.717374-8920.200111.9G588 F590 V594G588-Q592 PolarHBondContact N-O 3.35Å; F590-Q592 VanDerWaalsContact C-N 3.3Å; F590-Q592 PolarHBondContact O-N 2.77Å; Q592-V594 HydrophobicContact CG-CG2 4.13Å; Q592-V594 PolarHBondContact O-N 3.06Å
593A92.8Very high92.3Very high26 Ų2663.1 Ų63.122%0.21530%0.299CS..EExtended strand (participates in β ladder)trans-73.7124.1171.200000110F595 I659 P661A593-F595 HydrophobicContact CB-CE2 4.43Å; A593-F595 HydrophobicContact CB-CZ 4.15Å; A593-I659 WeakPolarHBondContact CB-O 3.41Å; A593-P661 VanDerWaalsContact CB-CD 3.49Å; A593-P661 HydrophobicContact CB-CG 3.96Å
594V94.1Very high92.4Very high38 Ų3865 Ų6523%0.2331%0.312CS..EExtended strand (participates in β ladder)trans-113.2135.2175-174.40000109A585 W586 Q592A585-V594 CarbonylContact C-O 3.56Å; A585-V594 VanDerWaalsContact CA-O 3.32Å; A585-V594 WeakPolarHBondContact CA-O 3.15Å; W586-V594 HydrophobicContact CD2-CB 4.01Å; W586-V594 HydrophobicContact CD2-CG1 4.49Å; W586-V594 HydrophobicContact CH2-CB 4.24Å; W586-V594 HydrophobicContact CH2-CG1 4.24Å; W586-V594 HydrophobicContact CH2-CG2 4.23Å; W586-V594 HydrophobicContact CZ2-CB 3.69Å; W586-V594 HydrophobicContact CZ2-CG1 3.4Å; W586-V594 VanDerWaalsContact CZ2-CG1 3.4Å; W586-V594 HydrophobicContact CZ2-CG2 4.16Å; W586-V594 PolarHBondContact N-O 3.4Å; W586-V594 PolarHBondContact O-N 3.01Å; Q592-V594 HydrophobicContact CG-CG2 4.13Å; Q592-V594 PolarHBondContact O-N 3.06Å
595F94Very high92.6Very high44 Ų4459.5 Ų59.519%0.19329%0.288CS..EExtended strand (participates in β ladder)trans-113.2104.7-177.4-55.9-74.2000110.1L583 A585 A593 P604 I659 V792L583-F595 HydrophobicContact CB-CD1 4Å; L583-F595 HydrophobicContact CD1-CD1 4.38Å; L583-F595 HydrophobicContact CD1-CE1 4.48Å; A585-F595 HydrophobicContact CB-CD1 3.76Å; A585-F595 HydrophobicContact CB-CE1 3.72Å; A593-F595 HydrophobicContact CB-CE2 4.43Å; A593-F595 HydrophobicContact CB-CZ 4.15Å; F595-P604 HydrophobicContact CD2-CB 4.08Å; F595-P604 HydrophobicContact CD2-CG 3.86Å; F595-P604 HydrophobicContact CE2-CB 4.22Å; F595-P604 HydrophobicContact CE2-CG 4.4Å; F595-P604 HydrophobicContact CG-CG 4.38Å; F595-I659 HydrophobicContact CE1-CD1 4.21Å; F595-V792 HydrophobicContact CE1-CG2 3.81Å; F595-V792 HydrophobicContact CE2-CG2 4.2Å; F595-V792 HydrophobicContact CZ-CG2 3.43Å; F595-V792 VanDerWaalsContact CZ-CG2 3.43Å
596D90.5Very high92.7Very high87 Ų8765 Ų6547%0.46531%0.313SS..  trans-87-15.8177.8-80.85.7000112.8L583 W586 Q665L583-D596 PolarHBondContact O-N 3.04Å; W586-D596 PolarHBondContact NE1-OD1 3.21Å; W586-D596 PolarHBondContact NE1-OD2 3.5Å; W586-D596 VanDerWaalsContact NE1-OD2 3.1Å; D596-Q665 PolarHBondContact OD2-NE2 3.5Å
597G89.6Confident92.7Very high20 Ų2064.6 Ų64.621%0.20632%0.319CS..SBendtrans-98.2176.9-177.400000113R582 L583R582-G597 CarbonylContact O-C 3.52Å; R582-G597 WeakPolarHBondContact O-CA 3.41Å; L583-G597 VanDerWaalsContact O-CA 3.28Å; L583-G597 WeakPolarHBondContact O-CA 3.3Å; L583-G597 PolarHBondContact O-N 2.9Å
598W90.3Very high92.8Very high126 Ų12659.2 Ų59.248%0.47730%0.299SS..  trans-138140.5180178.184.4000110.9R582 R600 L637 I641R582-W598 PolarHBondContact O-N 2.58Å; W598-R600 HydrophobicContact CH2-CB 3.52Å; W598-R600 HydrophobicContact CH2-CG 4.27Å; W598-R600 HydrophobicContact CZ2-CB 4.27Å; W598-R600 HydrophobicContact CZ3-CB 4.06Å; W598-L637 HydrophobicContact CZ2-CD2 4Å; W598-I641 HydrophobicContact CH2-CD1 3.32Å; W598-I641 HydrophobicContact CH2-CG1 4.34Å; W598-I641 HydrophobicContact CH2-CG2 4.41Å; W598-I641 HydrophobicContact CZ2-CD1 3.69Å; W598-I641 HydrophobicContact CZ2-CG2 4Å; W598-I641 HydrophobicContact CZ3-CD1 4.4Å
599S93.7Very high93Very high1 Ų163.9 Ų63.91%0.00732%0.323CS..  trans-127.4138.5176.2178.90000111M601 A602S599-M601 PolarHBondContact O-N 2.78Å; S599-M601 PolarHBondContact OG-N 3.11Å; S599-A602 PolarHBondContact OG-N 2.84Å
600R93.5Very high93.4Very high125 Ų12558.1 Ų58.147%0.47230%0.297SS..SBendtrans-65.2-25171-177.8168.1173.9177.1-7.1112.4W598 I641 E644 W645 R795W598-R600 HydrophobicContact CH2-CB 3.52Å; W598-R600 HydrophobicContact CH2-CG 4.27Å; W598-R600 HydrophobicContact CZ2-CB 4.27Å; W598-R600 HydrophobicContact CZ3-CB 4.06Å; R600-I641 HydrophobicContact CG-CG1 4.1Å; R600-I641 HydrophobicContact CG-CG2 4.05Å; R600-E644 IonicContact CZ-OE1 2.79Å; R600-E644 IonicContact CZ-OE2 3.68Å; R600-E644 IonicContact NE-OE1 2.68Å; R600-E644 PolarHBondContact NE-OE1 3.08Å; R600-E644 IonicContact NE-OE2 3.13Å; R600-E644 PolarHBondContact NE-OE2 2.99Å; R600-E644 IonicContact NH2-OE1 2.92Å; R600-E644 PolarHBondContact NH2-OE1 2.92Å; R600-E644 IonicContact NH2-OE2 2.73Å; R600-E644 PolarHBondContact NH2-OE2 3.09Å; R600-W645 PolarHBondContact O-NE1 3Å; R600-R795 PolarHBondContact O-NH2 3.17Å; R600-R795 VanDerWaalsContact O-NH2 3.11Å
601M94.2Very high93.6Very high31 Ų3153 Ų5315%0.15328%0.28CS..SBendtrans-110-9.2-169-54.7-52.9-68.700113.4S599 I794 R795 R796 K797S599-M601 PolarHBondContact O-N 2.78Å; S599-M601 PolarHBondContact OG-N 3.11Å; M601-I794 WeakPolarHBondContact O-CA 3.29Å; M601-R795 HydrophobicContact CE-CG 3.94Å; M601-R795 WeakPolarHBondContact CE-O 3.25Å; M601-R795 PolarHBondContact O-N 2.89Å; M601-R796 WeakPolarHBondContact CE-O 3.48Å; M601-K797 HydrophobicContact CE-CG 4.13Å
602A96.6Very high94.2Very high0 Ų054.5 Ų54.50%028%0.278CS..EExtended strand (participates in β ladder)trans-135.2140.1178.100000112.7A579 L583 S599 V792 L793 I794A579-A602 HydrophobicContact CB-CB 3.9Å; L583-A602 HydrophobicContact CD1-CB 3.89Å; L583-A602 HydrophobicContact CG-CB 4.37Å; S599-A602 PolarHBondContact OG-N 2.84Å; A602-V792 HydrophobicContact CB-CG1 4.03Å; A602-L793 CarbonylContact C-O 3.54Å; A602-L793 VanDerWaalsContact CA-O 3.25Å; A602-L793 WeakPolarHBondContact CA-O 3.33Å; A602-I794 HydrophobicContact CB-CD1 4.49Å; A602-I794 HydrophobicContact CB-CG1 3.86Å
603L96.3Very high94.5Very high7 Ų753.4 Ų53.44%0.03728%0.277CS..EExtended strand (participates in β ladder)trans-130140.3178.4-65.1174000110.4I605 V632 L634 L637 W645 L793L603-I605 PolarHBondContact O-N 2.96Å; L603-V632 HydrophobicContact CB-CB 4.26Å; L603-V632 HydrophobicContact CB-CG1 4.28Å; L603-V632 HydrophobicContact CD1-CB 4.23Å; L603-V632 HydrophobicContact CD1-CG2 3.78Å; L603-L634 HydrophobicContact CD1-CD2 3.42Å; L603-L634 VanDerWaalsContact CD1-CD2 3.42Å; L603-L637 HydrophobicContact CD1-CD1 4.5Å; L603-L637 HydrophobicContact CD2-CD1 4.1Å; L603-L637 HydrophobicContact CD2-CD2 4.28Å; L603-W645 HydrophobicContact CD1-CD2 3.57Å; L603-W645 HydrophobicContact CD1-CE3 3.85Å; L603-W645 HydrophobicContact CD1-CG 4.09Å; L603-W645 HydrophobicContact CD1-CH2 4.03Å; L603-W645 HydrophobicContact CD1-CZ2 3.77Å; L603-W645 HydrophobicContact CD1-CZ3 4.07Å; L603-W645 HydrophobicContact CG-CD2 4.35Å; L603-W645 HydrophobicContact CG-CH2 4.02Å; L603-W645 HydrophobicContact CG-CZ2 3.62Å; L603-L793 PolarHBondContact N-O 3.29Å; L603-L793 PolarHBondContact O-N 3.12Å
604P96.6Very high94.7Very high44 Ų4453.2 Ų53.229%0.28628%0.276SS..EExtended strand (participates in β ladder)trans-61.5133.7169.5-21.833.5000111.4F595 N791F595-P604 HydrophobicContact CD2-CB 4.08Å; F595-P604 HydrophobicContact CD2-CG 3.86Å; F595-P604 HydrophobicContact CE2-CB 4.22Å; F595-P604 HydrophobicContact CE2-CG 4.4Å; F595-P604 HydrophobicContact CG-CG 4.38Å; P604-N791 WeakPolarHBondContact CA-O 3.24Å
605I97.2Very high94.7Very high21 Ų2160.3 Ų60.311%0.10830%0.304CS..EExtended strand (participates in β ladder)trans-75.6130.5175.8-65172.1000108.7L603 A607 F608 V630 L656 F790 N791 V792 L793L603-I605 PolarHBondContact O-N 2.96Å; I605-A607 WeakPolarHBondContact CG2-O 2.92Å; I605-F608 HydrophobicContact CG2-CB 4.14Å; I605-V630 HydrophobicContact CD1-CG1 4.18Å; I605-V630 HydrophobicContact CG1-CG1 4.06Å; I605-V630 HydrophobicContact CG2-CG1 4.16Å; I605-L656 HydrophobicContact CD1-CD2 3.79Å; I605-F790 HydrophobicContact CD1-CB 4.02Å; I605-N791 PolarHBondContact N-O 3.31Å; I605-V792 VanDerWaalsContact CD1-C 3.49Å; I605-V792 WeakPolarHBondContact CD1-O 3.36Å; I605-L793 HydrophobicContact CD1-CB 4.21Å; I605-L793 HydrophobicContact CG1-CB 3.84Å
606Q95.5Very high94.7Very high119 Ų11961.7 Ų61.756%0.55632%0.317SS*.EExtended strand (participates in β ladder)trans-90.7-35.5176.1-64.8-63.5-46.700111.9R631 A633Q606-R631 HydrophobicContact CB-CB 4.5Å; Q606-R631 HydrophobicContact CB-CG 4.37Å; Q606-R631 WeakPolarHBondContact CB-O 3.23Å; Q606-R631 PolarHBondContact N-O 3.44Å; Q606-A633 HydrophobicContact CG-CB 4.32Å
607A95.4Very high94.6Very high32 Ų3262.5 Ų62.526%0.26432%0.321SS..EExtended strand (participates in β ladder)trans-155.5143.6174.500000109.7I605 R631I605-A607 WeakPolarHBondContact CG2-O 2.92Å; A607-R631 HydrophobicContact CB-CB 4.2Å; A607-R631 PolarHBondContact N-O 3.01Å; A607-R631 PolarHBondContact O-N 3.16Å
608F97.3Very high94.6Very high27 Ų2770.7 Ų70.712%0.11836%0.359CS..EExtended strand (participates in β ladder)trans-134.2124.9174-178.9-93.6000108.2I605 I610 A628 D629 V630 L656 L729 Y787 F790I605-F608 HydrophobicContact CG2-CB 4.14Å; F608-I610 HydrophobicContact CE1-CG1 4.17Å; F608-A628 HydrophobicContact CE1-CB 4.27Å; F608-A628 HydrophobicContact CE2-CB 3.71Å; F608-A628 HydrophobicContact CZ-CB 3.53Å; F608-D629 WeakPolarHBondContact CA-O 3.36Å; F608-V630 HydrophobicContact CD2-CG1 4.49Å; F608-V630 HydrophobicContact CD2-CG2 3.74Å; F608-V630 HydrophobicContact CE2-CG2 3.86Å; F608-L656 HydrophobicContact CD2-CD1 4.27Å; F608-L656 HydrophobicContact CD2-CD2 4.14Å; F608-L656 HydrophobicContact CE2-CD1 3.39Å; F608-L656 HydrophobicContact CE2-CD2 4.01Å; F608-L656 HydrophobicContact CE2-CG 4.35Å; F608-L656 HydrophobicContact CZ-CD1 3.82Å; F608-L729 HydrophobicContact CZ-CD1 4.2Å; F608-L729 HydrophobicContact CZ-CD2 4.37Å; F608-Y787 WeakPolarHBondContact CD1-O 3.43Å; F608-Y787 HydrophobicContact CE1-CD1 4.03Å; F608-Y787 WeakPolarHBondContact CE1-O 3.33Å; F608-Y787 HydrophobicContact CZ-CD1 4.19Å; F608-F790 HydrophobicContact CD1-CD2 4.26Å; F608-F790 HydrophobicContact CE1-CD2 4.04Å; F608-F790 HydrophobicContact CE1-CE2 4.49Å; F608-F790 HydrophobicContact CE2-CD2 4.45Å; F608-F790 HydrophobicContact CZ-CD2 4.13Å; F608-F790 HydrophobicContact CZ-CE2 4.45Å
609N95.6Very high94.2Very high104 Ų10468.5 Ų68.556%0.55638%0.376SS*.EExtended strand (participates in β ladder)trans-139129.4179.8-61.5-62.9000110.5V611 A628 D629N609-V611 PolarHBondContact O-N 3.15Å; N609-A628 CarbonylContact O-C 3.57Å; N609-A628 WeakPolarHBondContact O-CA 3.26Å; N609-A628 WeakPolarHBondContact O-CB 3.47Å; N609-D629 PolarHBondContact N-O 3.13Å; N609-D629 PolarHBondContact O-N 3.15Å
610I96.3Very high93.8Very high60 Ų6069.9 Ų69.931%0.30839%0.387SS..EExtended strand (participates in β ladder)trans-72.7123.4168.8-60.6175.8000108.4F608 V613 V626 A628 Y734 Y787F608-I610 HydrophobicContact CE1-CG1 4.17Å; I610-V613 HydrophobicContact CG2-CG2 3.83Å; I610-V626 HydrophobicContact CG2-CG1 4.43Å; I610-A628 HydrophobicContact CG1-CB 4.48Å; I610-Y734 HydrophobicContact CD1-CE2 3.74Å; I610-Y787 HydrophobicContact CD1-CD1 4.17Å; I610-Y787 HydrophobicContact CD1-CG 4.04Å
611V93.8Very high93.3Very high72 Ų7272.9 Ų72.944%0.43640%0.404SS..EExtended strand (participates in β ladder)trans-95.6-41.1-175.7-179.20000111.3N609 R627 D629N609-V611 PolarHBondContact O-N 3.15Å; V611-R627 PolarHBondContact N-O 2.94Å; V611-D629 HydrophobicContact CG2-CB 3.97Å; V611-D629 VanDerWaalsContact CG2-CG 3.43Å; V611-D629 WeakPolarHBondContact CG2-OD2 3.45Å
612E94.9Very high93.2Very high69 Ų6973.8 Ų73.832%0.32241%0.408SS..EExtended strand (participates in β ladder)trans-148.9134.1-173.5-171.2-167.4157.100110.8R625 V626 R627E612-R625 IonicContact OE1-NE 2.89Å; E612-V626 CarbonylContact O-C 3.58Å; E612-V626 WeakPolarHBondContact O-CA 3.31Å; E612-R627 HydrophobicContact CB-CB 4.18Å; E612-R627 PolarHBondContact N-O 3.04Å; E612-R627 PolarHBondContact O-N 3.38Å; E612-R627 WeakPolarHBondContact OE2-CD 3.29Å; E612-R627 IonicContact OE2-CZ 3Å; E612-R627 IonicContact OE2-NE 3.31Å; E612-R627 IonicContact OE2-NH1 3.45Å; E612-R627 PolarHBondContact OE2-NH1 3.49Å
613V96.6Very high93.2Very high68 Ų6874.1 Ų74.141%0.41241%0.41SS..EExtended strand (participates in β ladder)trans-122.6107.3165.9-177.10000107I610 P623 V626 Y734I610-V613 HydrophobicContact CG2-CG2 3.83Å; V613-P623 HydrophobicContact CG1-CB 3.91Å; V613-P623 HydrophobicContact CG1-CG 3.76Å; V613-V626 HydrophobicContact CG1-CG2 4.38Å; V613-V626 HydrophobicContact CG2-CG1 4.29Å; V613-Y734 HydrophobicContact CG1-CE1 4.12Å; V613-Y734 HydrophobicContact CG2-CE1 4.26Å
614A96.1Very high93.1Very high22 Ų2275.5 Ų75.518%0.18242%0.422CS..PPolyproline II helixtrans-74.5157.4179.300000111.5P623 A624 R625A614-P623 WeakPolarHBondContact O-CB 3.41Å; A614-A624 HydrophobicContact CB-CB 4.28Å; A614-R625 HydrophobicContact CB-CB 4.46Å; A614-R625 HydrophobicContact CB-CG 3.75Å; A614-R625 PolarHBondContact N-O 2.9Å
615K95.3Very high93Very high188 Ų18878.9 Ų78.982%0.81743%0.429SS*.PPolyproline II helixtrans-62.2150172.3-65.1-179.1-179.3177.20110.4A624K615-A624 WeakPolarHBondContact O-CB 3.44Å; K615-A624 PolarHBondContact O-N 2.99Å
616P93.2Very high93Very high72 Ų7277.9 Ų77.947%0.46842%0.424SS..PPolyproline II helixtrans-57.5144.4172.4-2635.7000112.8H622P616-H622 WeakPolarHBondContact CA-O 3.4Å; P616-H622 WeakPolarHBondContact CB-O 3.47Å
617D89.8Confident93.1Very high105 Ų10574.7 Ų74.756%0.56141%0.407SS*.PPolyproline II helixtrans-67.4161167.4-69.3-38.7000110.9G619 A620D617-G619 PolarHBondContact O-N 3.44Å; D617-G619 VanDerWaalsContact O-N 3.14Å; D617-A620 HydrophobicContact CB-CB 4.28Å; D617-A620 WeakPolarHBondContact O-CB 3.48Å; D617-A620 PolarHBondContact O-N 3.42Å
618L87.8Confident93.2Very high191 Ų19173.1 Ų73.1100%139%0.394SS*.THydrogen-bonded Turntrans-59.6119.6-179.8-174.170.3000110.7A620L618-A620 VanDerWaalsContact C-N 3.33Å
619G82Confident93.2Very high80 Ų8073.1 Ų73.183%0.82540%0.395SS*.THydrogen-bonded Turntrans89.4-13.7-177.700000114.7D617D617-G619 PolarHBondContact O-N 3.44Å; D617-G619 VanDerWaalsContact O-N 3.14Å
620A85.4Confident93.2Very high31 Ų3168.2 Ų68.226%0.25637%0.369SS..  trans-80.5144.3174.800000111.3D617 L618D617-A620 HydrophobicContact CB-CB 4.28Å; D617-A620 WeakPolarHBondContact O-CB 3.48Å; D617-A620 PolarHBondContact O-N 3.42Å; L618-A620 VanDerWaalsContact C-N 3.33Å
621K84.6Confident93.2Very high188 Ų18871 Ų7182%0.81738%0.376SS*.SBendtrans-96.2-10.5173.8-67.2-179.2-179.5173.40113.4
622H91.9Very high93.3Very high50 Ų5067.6 Ų67.623%0.23136%0.355CS..SBendtrans-110.5160.9-179.155.572.7000110.4P616 Q735P616-H622 WeakPolarHBondContact CA-O 3.4Å; P616-H622 WeakPolarHBondContact CB-O 3.47Å; H622-Q735 HydrophobicContact CB-CB 3.64Å; H622-Q735 HydrophobicContact CB-CG 3.95Å
623P95.1Very high93.2Very high7 Ų765.9 Ų65.95%0.04535%0.353CS..  trans-53.4150.7173.6-26.836.7000112.6V613 A614 V626 P731 Y734V613-P623 HydrophobicContact CG1-CB 3.91Å; V613-P623 HydrophobicContact CG1-CG 3.76Å; A614-P623 WeakPolarHBondContact O-CB 3.41Å; P623-V626 HydrophobicContact CB-CG2 3.88Å; P623-V626 HydrophobicContact CG-CG2 4.16Å; P623-P731 HydrophobicContact CB-CB 4.34Å; P623-P731 WeakPolarHBondContact O-CB 3.24Å; P623-Y734 HydrophobicContact CG-CD1 4.06Å; P623-Y734 HydrophobicContact CG-CE1 4.36Å
624A94.2Very high93.1Very high35 Ų3562.7 Ų62.729%0.28933%0.333SS..SBendtrans-72.4-33.5174.600000112.3A614 K615A614-A624 HydrophobicContact CB-CB 4.28Å; K615-A624 WeakPolarHBondContact O-CB 3.44Å; K615-A624 PolarHBondContact O-N 2.99Å
625R95Very high92.6Very high115 Ų11564.8 Ų64.843%0.43435%0.35SS..  trans-152.4151.3173.888.9-175.377-131.80.4110.4E612 A614E612-R625 IonicContact OE1-NE 2.89Å; A614-R625 HydrophobicContact CB-CB 4.46Å; A614-R625 HydrophobicContact CB-CG 3.75Å; A614-R625 PolarHBondContact N-O 2.9Å
626V97.4Very high92.1Very high1 Ų159.8 Ų59.81%0.00635%0.352CS..EExtended strand (participates in β ladder)trans-133123.8171.2-175.60000108.3I610 E612 V613 P623 R728 L729 P731 Y734I610-V626 HydrophobicContact CG2-CG1 4.43Å; E612-V626 CarbonylContact O-C 3.58Å; E612-V626 WeakPolarHBondContact O-CA 3.31Å; V613-V626 HydrophobicContact CG1-CG2 4.38Å; V613-V626 HydrophobicContact CG2-CG1 4.29Å; P623-V626 HydrophobicContact CB-CG2 3.88Å; P623-V626 HydrophobicContact CG-CG2 4.16Å; V626-R728 WeakPolarHBondContact O-CA 3.49Å; V626-L729 HydrophobicContact CB-CB 4.03Å; V626-L729 HydrophobicContact CG1-CB 3.98Å; V626-L729 HydrophobicContact CG1-CD1 3.68Å; V626-L729 HydrophobicContact CG1-CG 4.35Å; V626-L729 PolarHBondContact O-N 3Å; V626-P731 HydrophobicContact CG2-CB 4.29Å; V626-Y734 HydrophobicContact CG1-CD2 4.08Å; V626-Y734 HydrophobicContact CG1-CE2 4.29Å; V626-Y734 HydrophobicContact CG1-CG 4.23Å; V626-Y734 HydrophobicContact CG2-CD1 3.79Å; V626-Y734 HydrophobicContact CG2-CE1 4.31Å; V626-Y734 HydrophobicContact CG2-CG 3.95Å
627R97.2Very high91.8Very high51 Ų5157 Ų5719%0.19233%0.333CS..EExtended strand (participates in β ladder)trans-115.7139.9179.5-73172.6164.6152.5-5.4110.7V611 E612 E690 V727 R728V611-R627 PolarHBondContact N-O 2.94Å; E612-R627 HydrophobicContact CB-CB 4.18Å; E612-R627 PolarHBondContact N-O 3.04Å; E612-R627 PolarHBondContact O-N 3.38Å; E612-R627 WeakPolarHBondContact OE2-CD 3.29Å; E612-R627 IonicContact OE2-CZ 3Å; E612-R627 IonicContact OE2-NE 3.31Å; E612-R627 IonicContact OE2-NH1 3.45Å; E612-R627 PolarHBondContact OE2-NH1 3.49Å; R627-E690 IonicContact CZ-OE1 2.81Å; R627-E690 VanDerWaalsContact CZ-OE1 3.3Å; R627-E690 IonicContact CZ-OE2 3.51Å; R627-E690 IonicContact NE-OE1 2.86Å; R627-E690 PolarHBondContact NE-OE1 2.82Å; R627-E690 IonicContact NE-OE2 3.96Å; R627-E690 PolarHBondContact NE-OE2 3.37Å; R627-E690 IonicContact NH2-OE1 3.65Å; R627-E690 PolarHBondContact NH2-OE1 3.22Å; R627-E690 IonicContact NH2-OE2 3.75Å; R627-V727 WeakPolarHBondContact CA-O 3.16Å; R627-R728 HydrophobicContact CG-CG 4.45Å
628A97.3Very high91.8Very high0 Ų060.3 Ų60.30%034%0.338CS..EExtended strand (participates in β ladder)trans-136.4152.6172.900000110.8F608 N609 I610 R726 V727 L729F608-A628 HydrophobicContact CE1-CB 4.27Å; F608-A628 HydrophobicContact CE2-CB 3.71Å; F608-A628 HydrophobicContact CZ-CB 3.53Å; N609-A628 CarbonylContact O-C 3.57Å; N609-A628 WeakPolarHBondContact O-CA 3.26Å; N609-A628 WeakPolarHBondContact O-CB 3.47Å; I610-A628 HydrophobicContact CG1-CB 4.48Å; A628-R726 CarbonylContact O-C 3.52Å; A628-R726 WeakPolarHBondContact O-CA 3.33Å; A628-V727 HydrophobicContact CB-CG2 4.02Å; A628-V727 PolarHBondContact N-O 3.18Å; A628-V727 WeakPolarHBondContact O-CG2 3.3Å; A628-V727 PolarHBondContact O-N 3.01Å; A628-L729 HydrophobicContact CB-CD1 3.98Å; A628-L729 HydrophobicContact CB-CG 4.31Å
629D96.8Very high91.8Very high27 Ų2755.8 Ų55.814%0.14432%0.32CS..EExtended strand (participates in β ladder)trans-105.4128.8173.4-75.1-7.9000109.2F608 N609 V611 T724 W725 R726F608-D629 WeakPolarHBondContact CA-O 3.36Å; N609-D629 PolarHBondContact N-O 3.13Å; N609-D629 PolarHBondContact O-N 3.15Å; V611-D629 HydrophobicContact CG2-CB 3.97Å; V611-D629 VanDerWaalsContact CG2-CG 3.43Å; V611-D629 WeakPolarHBondContact CG2-OD2 3.45Å; D629-T724 HydrophobicContact CB-CG2 3.87Å; D629-W725 WeakPolarHBondContact CA-O 3.49Å; D629-R726 WeakPolarHBondContact OD1-CA 3.25Å; D629-R726 WeakPolarHBondContact OD1-CB 3.3Å; D629-R726 WeakPolarHBondContact OD1-CG 3.18Å; D629-R726 IonicContact OD1-CZ 3.81Å; D629-R726 IonicContact OD1-NE 3.16Å; D629-R726 PolarHBondContact OD1-NE 2.98Å; D629-R726 IonicContact OD1-NH2 2.64Å; D629-R726 PolarHBondContact OD1-NH2 3.35Å; D629-R726 IonicContact OD2-CZ 3.53Å; D629-R726 IonicContact OD2-NE 3.46Å; D629-R726 IonicContact OD2-NH2 2.88Å; D629-R726 PolarHBondContact OD2-NH2 2.83Å
630V97.2Very high92Very high0 Ų057.9 Ų57.90%031%0.308CS..EExtended strand (participates in β ladder)trans-118.6121-179.1-1660000109.2I605 F608 L656 T724 W725 V727 L793I605-V630 HydrophobicContact CD1-CG1 4.18Å; I605-V630 HydrophobicContact CG1-CG1 4.06Å; I605-V630 HydrophobicContact CG2-CG1 4.16Å; F608-V630 HydrophobicContact CD2-CG1 4.49Å; F608-V630 HydrophobicContact CD2-CG2 3.74Å; F608-V630 HydrophobicContact CE2-CG2 3.86Å; V630-L656 HydrophobicContact CG1-CD2 4.29Å; V630-L656 HydrophobicContact CG2-CD2 4.1Å; V630-T724 CarbonylContact O-C 3.56Å; V630-T724 WeakPolarHBondContact O-CA 3.47Å; V630-W725 PolarHBondContact N-O 3.46Å; V630-W725 PolarHBondContact O-N 3.28Å; V630-V727 HydrophobicContact CG2-CB 4.48Å; V630-V727 HydrophobicContact CG2-CG1 3.91Å; V630-V727 HydrophobicContact CG2-CG2 3.69Å; V630-L793 HydrophobicContact CG1-CD1 4.47Å; V630-L793 HydrophobicContact CG1-CD2 4.23Å
631R96Very high92.2Very high120 Ų12056.9 Ų56.945%0.45330%0.299SS..EExtended strand (participates in β ladder)trans-107.3134.5177.4-172.6-179.3-63.91793110.8Q606 A607 P723 T724Q606-R631 HydrophobicContact CB-CB 4.5Å; Q606-R631 HydrophobicContact CB-CG 4.37Å; Q606-R631 WeakPolarHBondContact CB-O 3.23Å; Q606-R631 PolarHBondContact N-O 3.44Å; A607-R631 HydrophobicContact CB-CB 4.2Å; A607-R631 PolarHBondContact N-O 3.01Å; A607-R631 PolarHBondContact O-N 3.16Å; R631-P723 WeakPolarHBondContact CA-O 3.31Å; R631-T724 PolarHBondContact NE-OG1 3.39Å; R631-T724 VanDerWaalsContact NE-OG1 3.14Å
632V95.5Very high92.5Very high0 Ų051.8 Ų51.80%027%0.274CS..EExtended strand (participates in β ladder)trans-131.2163.8173.4-54.40000111L603 L634 L722 P723 W725 L793L603-V632 HydrophobicContact CB-CB 4.26Å; L603-V632 HydrophobicContact CB-CG1 4.28Å; L603-V632 HydrophobicContact CD1-CB 4.23Å; L603-V632 HydrophobicContact CD1-CG2 3.78Å; V632-L634 HydrophobicContact CG2-CD2 4.01Å; V632-L634 HydrophobicContact CG2-CG 4.47Å; V632-L722 WeakPolarHBondContact O-CA 3.42Å; V632-P723 HydrophobicContact CG2-CG 4.05Å; V632-P723 PolarHBondContact N-O 2.91Å; V632-P723 WeakPolarHBondContact O-CD 3.31Å; V632-W725 HydrophobicContact CB-CZ3 4.43Å; V632-W725 HydrophobicContact CG1-CZ3 4.34Å; V632-W725 HydrophobicContact CG2-CE3 4.3Å; V632-W725 HydrophobicContact CG2-CH2 3.8Å; V632-W725 HydrophobicContact CG2-CZ3 3.3Å; V632-L793 HydrophobicContact CG1-CB 4.26Å; V632-L793 HydrophobicContact CG1-CD2 3.8Å
633A93.7Very high92.3Very high33 Ų3357.4 Ų57.427%0.27330%0.298SS..  trans-97.912317200000110.8Q606 L722Q606-A633 HydrophobicContact CG-CB 4.32Å; A633-L722 HydrophobicContact CB-CD2 3.83Å
634L92.9Very high92Very high0 Ų059.6 Ų59.60%031%0.308CS..  trans-100.2-3.1170.2-58.1-171.5000112.8L603 V632 G636 L637 R642 W645 L646 T721 P723L603-L634 HydrophobicContact CD1-CD2 3.42Å; L603-L634 VanDerWaalsContact CD1-CD2 3.42Å; V632-L634 HydrophobicContact CG2-CD2 4.01Å; V632-L634 HydrophobicContact CG2-CG 4.47Å; L634-G636 PolarHBondContact O-N 2.78Å; L634-L637 HydrophobicContact CB-CD1 4.11Å; L634-L637 HydrophobicContact CD2-CD1 3.58Å; L634-L637 HydrophobicContact CG-CD1 4.42Å; L634-L637 WeakPolarHBondContact O-CB 3.43Å; L634-L637 WeakPolarHBondContact O-CG 3.14Å; L634-L637 PolarHBondContact O-N 2.83Å; L634-R642 HydrophobicContact CB-CG 4.25Å; L634-R642 HydrophobicContact CD1-CG 4.12Å; L634-W645 HydrophobicContact CD1-CB 4.11Å; L634-W645 HydrophobicContact CD2-CB 3.88Å; L634-W645 HydrophobicContact CD2-CG 4.07Å; L634-L646 HydrophobicContact CD1-CD2 3.78Å; L634-L646 HydrophobicContact CD1-CG 3.88Å; L634-T721 PolarHBondContact N-O 2.96Å; L634-P723 HydrophobicContact CD1-CG 3.61Å; L634-P723 HydrophobicContact CD2-CG 4.49Å; L634-P723 HydrophobicContact CG-CG 3.68Å
635A85.5Confident91.9Very high66 Ų6657.9 Ų57.955%0.54529%0.294SS..THydrogen-bonded Turntrans-59133.6172.800000110.5L637 T721A635-L637 VanDerWaalsContact C-N 3.35Å; A635-L637 PolarHBondContact O-N 3.34Å; A635-T721 PolarHBondContact N-O 2.93Å
636G85Confident91.7Very high83 Ų8354.1 Ų54.186%0.85628%0.282SS*.THydrogen-bonded Turntrans86.4-10.5-178.100000115.8L634L634-G636 PolarHBondContact O-N 2.78Å
637L88.3Confident91.2Very high14 Ų1455.3 Ų55.37%0.07330%0.295CS..  trans-73.8147.4173.1-59.1-179.2000111.6W598 L603 L634 A635 R642W598-L637 HydrophobicContact CZ2-CD2 4Å; L603-L637 HydrophobicContact CD1-CD1 4.5Å; L603-L637 HydrophobicContact CD2-CD1 4.1Å; L603-L637 HydrophobicContact CD2-CD2 4.28Å; L634-L637 HydrophobicContact CB-CD1 4.11Å; L634-L637 HydrophobicContact CD2-CD1 3.58Å; L634-L637 HydrophobicContact CG-CD1 4.42Å; L634-L637 WeakPolarHBondContact O-CB 3.43Å; L634-L637 WeakPolarHBondContact O-CG 3.14Å; L634-L637 PolarHBondContact O-N 2.83Å; A635-L637 VanDerWaalsContact C-N 3.35Å; A635-L637 PolarHBondContact O-N 3.34Å; L637-R642 HydrophobicContact CB-CB 4.5Å; L637-R642 PolarHBondContact O-NH2 2.77Å
638R88.8Confident90.9Very high174 Ų17453.4 Ų53.466%0.65729%0.288SS*.  trans-59.8148171.5-59.7-175.3-179.8-168.6-1.9110.9E640 I641 R642R638-E640 VanDerWaalsContact C-N 3.33Å; R638-E640 PolarHBondContact O-N 2.67Å; R638-I641 HydrophobicContact CB-CD1 4.09Å; R638-I641 HydrophobicContact CG-CD1 4.38Å; R638-I641 PolarHBondContact O-N 2.6Å; R638-I641 VanDerWaalsContact O-N 3.16Å; R638-R642 PolarHBondContact O-N 3.09Å
639P87.8Confident90.3Very high97 Ų9758 Ų5863%0.6331%0.306SS*.Hα-helixtrans-54-43.1-177.4-27.235.2000114.2I641 R642 K643P639-I641 VanDerWaalsContact C-N 3.35Å; P639-I641 PolarHBondContact O-N 3.02Å; P639-R642 PolarHBondContact O-N 3.03Å; P639-K643 WeakPolarHBondContact O-CB 3.18Å; P639-K643 PolarHBondContact O-N 3.38Å
640E87.4Confident89.7Confident123 Ų12363.7 Ų63.758%0.57533%0.325SS*.Hα-helixtrans-61.4-43.5-179.7-50.7113.9-134.100111.9R638 K643 E644R638-E640 VanDerWaalsContact C-N 3.33Å; R638-E640 PolarHBondContact O-N 2.67Å; E640-K643 WeakPolarHBondContact O-CB 3.34Å; E640-K643 PolarHBondContact O-N 3.09Å; E640-E644 PolarHBondContact O-N 3.26Å; E640-E644 VanDerWaalsContact O-N 3.1Å
641I89.6Confident89.1Confident10 Ų1067.9 Ų67.95%0.05134%0.344CS..Hα-helixtrans-74-37.4-177.7-63.2156.1000110.6W598 R600 R638 P639 K643 E644 W645W598-I641 HydrophobicContact CH2-CD1 3.32Å; W598-I641 HydrophobicContact CH2-CG1 4.34Å; W598-I641 HydrophobicContact CH2-CG2 4.41Å; W598-I641 HydrophobicContact CZ2-CD1 3.69Å; W598-I641 HydrophobicContact CZ2-CG2 4Å; W598-I641 HydrophobicContact CZ3-CD1 4.4Å; R600-I641 HydrophobicContact CG-CG1 4.1Å; R600-I641 HydrophobicContact CG-CG2 4.05Å; R638-I641 HydrophobicContact CB-CD1 4.09Å; R638-I641 HydrophobicContact CG-CD1 4.38Å; R638-I641 PolarHBondContact O-N 2.6Å; R638-I641 VanDerWaalsContact O-N 3.16Å; P639-I641 VanDerWaalsContact C-N 3.35Å; P639-I641 PolarHBondContact O-N 3.02Å; I641-K643 VanDerWaalsContact C-N 3.29Å; I641-K643 PolarHBondContact O-N 2.91Å; I641-E644 WeakPolarHBondContact O-CB 3.27Å; I641-E644 PolarHBondContact O-N 2.79Å; I641-E644 VanDerWaalsContact O-N 3.17Å; I641-W645 VanDerWaalsContact O-CD1 3.3Å; I641-W645 PolarHBondContact O-N 2.93Å
642R89.5Confident88.8Confident81 Ų8163.8 Ų63.831%0.30633%0.332SS..Hα-helixtrans-58.5-44.8172-171.6-177.6-56.1159.410.4110.4L634 L637 R638 P639 E644 W645 L646L634-R642 HydrophobicContact CB-CG 4.25Å; L634-R642 HydrophobicContact CD1-CG 4.12Å; L637-R642 HydrophobicContact CB-CB 4.5Å; L637-R642 PolarHBondContact O-NH2 2.77Å; R638-R642 PolarHBondContact O-N 3.09Å; P639-R642 PolarHBondContact O-N 3.03Å; R642-E644 VanDerWaalsContact C-N 3.27Å; R642-E644 PolarHBondContact O-N 3.16Å; R642-W645 PolarHBondContact O-N 3.4Å; R642-L646 HydrophobicContact CG-CD1 3.96Å; R642-L646 HydrophobicContact CG-CG 4.38Å; R642-L646 WeakPolarHBondContact O-CB 3.47Å; R642-L646 WeakPolarHBondContact O-CG 3.27Å; R642-L646 PolarHBondContact O-N 3.21Å
643K87.5Confident88.7Confident168 Ų16864.1 Ų64.173%0.7333%0.333SS*.Hα-helixtrans-59.1-37.1175.5-173-180179.4-1790112.1P639 E640 I641 L646 G647P639-K643 WeakPolarHBondContact O-CB 3.18Å; P639-K643 PolarHBondContact O-N 3.38Å; E640-K643 WeakPolarHBondContact O-CB 3.34Å; E640-K643 PolarHBondContact O-N 3.09Å; I641-K643 VanDerWaalsContact C-N 3.29Å; I641-K643 PolarHBondContact O-N 2.91Å; K643-L646 CarbonylContact O-C 3.4Å; K643-G647 PolarHBondContact O-N 3.4Å
644E90Very high88.8Confident53 Ų5362.5 Ų62.525%0.24832%0.32CS..Hα-helixtrans-67.7-42.9175.2-73.6167.1-134.400113.9R600 E640 I641 R642 G647 R795R600-E644 IonicContact CZ-OE1 2.79Å; R600-E644 IonicContact CZ-OE2 3.68Å; R600-E644 IonicContact NE-OE1 2.68Å; R600-E644 PolarHBondContact NE-OE1 3.08Å; R600-E644 IonicContact NE-OE2 3.13Å; R600-E644 PolarHBondContact NE-OE2 2.99Å; R600-E644 IonicContact NH2-OE1 2.92Å; R600-E644 PolarHBondContact NH2-OE1 2.92Å; R600-E644 IonicContact NH2-OE2 2.73Å; R600-E644 PolarHBondContact NH2-OE2 3.09Å; E640-E644 PolarHBondContact O-N 3.26Å; E640-E644 VanDerWaalsContact O-N 3.1Å; I641-E644 WeakPolarHBondContact O-CB 3.27Å; I641-E644 PolarHBondContact O-N 2.79Å; I641-E644 VanDerWaalsContact O-N 3.17Å; R642-E644 VanDerWaalsContact C-N 3.27Å; R642-E644 PolarHBondContact O-N 3.16Å; E644-G647 WeakPolarHBondContact O-CA 3.41Å; E644-G647 PolarHBondContact O-N 2.93Å; E644-R795 IonicContact OE2-CZ 3.66Å; E644-R795 IonicContact OE2-NH1 3.1Å; E644-R795 IonicContact OE2-NH2 2.82Å; E644-R795 PolarHBondContact OE2-NH2 2.94Å
645W92.4Very high89Confident0 Ų062.6 Ų62.60%032%0.321CS..Hα-helixtrans-68-42.3177.3-81.5100.4000111.6R600 L603 L634 I641 R642 G647 L648 W725 L793 R795R600-W645 PolarHBondContact O-NE1 3Å; L603-W645 HydrophobicContact CD1-CD2 3.57Å; L603-W645 HydrophobicContact CD1-CE3 3.85Å; L603-W645 HydrophobicContact CD1-CG 4.09Å; L603-W645 HydrophobicContact CD1-CH2 4.03Å; L603-W645 HydrophobicContact CD1-CZ2 3.77Å; L603-W645 HydrophobicContact CD1-CZ3 4.07Å; L603-W645 HydrophobicContact CG-CD2 4.35Å; L603-W645 HydrophobicContact CG-CH2 4.02Å; L603-W645 HydrophobicContact CG-CZ2 3.62Å; L634-W645 HydrophobicContact CD1-CB 4.11Å; L634-W645 HydrophobicContact CD2-CB 3.88Å; L634-W645 HydrophobicContact CD2-CG 4.07Å; I641-W645 VanDerWaalsContact O-CD1 3.3Å; I641-W645 PolarHBondContact O-N 2.93Å; R642-W645 PolarHBondContact O-N 3.4Å; W645-G647 PolarHBondContact O-N 2.83Å; W645-L648 HydrophobicContact CE3-CD1 3.86Å; W645-L648 HydrophobicContact CZ3-CD1 4.2Å; W645-L648 WeakPolarHBondContact O-CG 3.12Å; W645-L648 PolarHBondContact O-N 3.47Å; W645-W725 HydrophobicContact CB-CH2 4.46Å; W645-W725 HydrophobicContact CE3-CH2 4.1Å; W645-W725 HydrophobicContact CE3-CZ3 4.42Å; W645-W725 WeakPolarHBondContact O-CZ2 3.01Å; W645-L793 HydrophobicContact CZ3-CD2 4.19Å; W645-R795 VanDerWaalsContact CE2-NE 3.29Å; W645-R795 HydrophobicContact CE3-CG 4.42Å; W645-R795 HydrophobicContact CH2-CB 3.95Å; W645-R795 HydrophobicContact CH2-CG 3.58Å; W645-R795 HydrophobicContact CZ2-CG 3.8Å; W645-R795 HydrophobicContact CZ3-CB 4.01Å; W645-R795 HydrophobicContact CZ3-CG 3.91Å
646L90.3Very high89.6Confident36 Ų3659.4 Ų59.419%0.18830%0.295CS..THydrogen-bonded Turntrans-66.9-7.1168-64.9175.7000112.1L634 R642 K643 R705L634-L646 HydrophobicContact CD1-CD2 3.78Å; L634-L646 HydrophobicContact CD1-CG 3.88Å; R642-L646 HydrophobicContact CG-CD1 3.96Å; R642-L646 HydrophobicContact CG-CG 4.38Å; R642-L646 WeakPolarHBondContact O-CB 3.47Å; R642-L646 WeakPolarHBondContact O-CG 3.27Å; R642-L646 PolarHBondContact O-N 3.21Å; K643-L646 CarbonylContact O-C 3.4Å; L646-R705 PolarHBondContact O-NH1 3.07Å
647G87.4Confident90.3Very high26 Ų2655.5 Ų55.527%0.26825%0.254SS..THydrogen-bonded Turntrans-90-5.117700000114.5K643 E644 W645 R649K643-G647 PolarHBondContact O-N 3.4Å; E644-G647 WeakPolarHBondContact O-CA 3.41Å; E644-G647 PolarHBondContact O-N 2.93Å; W645-G647 PolarHBondContact O-N 2.83Å; G647-R649 WeakPolarHBondContact O-CG 3.15Å; G647-R649 PolarHBondContact O-N 3.1Å
648L89.5Confident90.7Very high10 Ų1054.9 Ų54.95%0.05225%0.251CS..  trans-58.3131178.2-74.3173.9000110.8W645 D652 V654 I689 R705 W725 R795W645-L648 HydrophobicContact CE3-CD1 3.86Å; W645-L648 HydrophobicContact CZ3-CD1 4.2Å; W645-L648 WeakPolarHBondContact O-CG 3.12Å; W645-L648 PolarHBondContact O-N 3.47Å; L648-D652 HydrophobicContact CD2-CB 4.43Å; L648-V654 HydrophobicContact CD2-CG1 4.4Å; L648-I689 HydrophobicContact CB-CG1 4.4Å; L648-I689 HydrophobicContact CD1-CD1 4.24Å; L648-R705 PolarHBondContact O-NH2 3.17Å; L648-W725 HydrophobicContact CD1-CH2 4.42Å; L648-W725 HydrophobicContact CD1-CZ2 4.2Å; L648-R795 HydrophobicContact CD2-CB 4.31Å
649R84.4Confident91.1Very high98 Ų9846.6 Ų46.637%0.3722%0.22SC..  trans-111.2162.4-174.9-57.1-174.5-175.7-168.4-0.1111.4G647 H651 D652 I689 L706G647-R649 WeakPolarHBondContact O-CG 3.15Å; G647-R649 PolarHBondContact O-N 3.1Å; R649-H651 PolarHBondContact O-N 2.97Å; R649-D652 PolarHBondContact N-OD2 2.89Å; R649-D652 VanDerWaalsContact O-CB 3.27Å; R649-D652 WeakPolarHBondContact O-CB 3.45Å; R649-D652 PolarHBondContact O-N 3.07Å; R649-D652 VanDerWaalsContact O-N 3.08Å; R649-I689 VanDerWaalsContact O-CB 3.32Å; R649-I689 WeakPolarHBondContact O-CB 3.4Å; R649-I689 WeakPolarHBondContact O-CG2 3.4Å; R649-L706 HydrophobicContact CG-CD1 4.38Å
650R84.2Confident91.4Very high145 Ų14546.1 Ų46.155%0.54721%0.205SC..THydrogen-bonded Turntrans-52.6138.7169.3-173.7-175.3161.3165.10.9110.1D652 I689 E690 D702R650-D652 VanDerWaalsContact C-N 3.26Å; R650-D652 PolarHBondContact O-N 2.92Å; R650-I689 CarbonylContact C-O 3.58Å; R650-I689 WeakPolarHBondContact CA-O 3.49Å; R650-E690 WeakPolarHBondContact CG-O 3.19Å; R650-D702 WeakPolarHBondContact CB-OD2 3.32Å; R650-D702 PolarHBondContact N-OD2 3.26Å
651H85.6Confident91.7Very high88 Ų8840.6 Ų40.641%0.40718%0.18SC..THydrogen-bonded Turntrans74.2-4-174.8-56-74.4000116.1R649 P653 E688 I689 R728R649-H651 PolarHBondContact O-N 2.97Å; H651-P653 WeakPolarHBondContact O-CD 3.28Å; H651-E688 IonicContact ND1-OE2 3.57Å; H651-I689 PolarHBondContact N-O 3.39Å; H651-R728 PolarHBondContact CE1-NH2 3.21Å; H651-R728 PolarHBondContact ND1-NH2 3.14Å
652D89.1Confident91.7Very high35 Ų3544.2 Ų44.219%0.18720%0.203CC..  trans-64124.1174.2-77.6-14.1000110.5L648 R649 R650 E688 I689L648-D652 HydrophobicContact CD2-CB 4.43Å; R649-D652 PolarHBondContact N-OD2 2.89Å; R649-D652 VanDerWaalsContact O-CB 3.27Å; R649-D652 WeakPolarHBondContact O-CB 3.45Å; R649-D652 PolarHBondContact O-N 3.07Å; R649-D652 VanDerWaalsContact O-N 3.08Å; R650-D652 VanDerWaalsContact C-N 3.26Å; R650-D652 PolarHBondContact O-N 2.92Å; D652-E688 WeakPolarHBondContact O-CA 3.37Å; D652-I689 HydrophobicContact CB-CG1 4.21Å; D652-I689 WeakPolarHBondContact O-CG1 3.29Å; D652-I689 PolarHBondContact O-N 3.21Å
653P93.6Very high91.8Very high6 Ų644.7 Ų44.74%0.03921%0.207CC..EExtended strand (participates in β ladder)trans-69.2134.5172.7-22.533.1000112.9Y518 H651 C687 N801 F803 K804Y518-P653 HydrophobicContact CE1-CB 4.22Å; H651-P653 WeakPolarHBondContact O-CD 3.28Å; P653-C687 CarbonylContact C-O 3.58Å; P653-C687 WeakPolarHBondContact CA-O 3.33Å; P653-N801 WeakPolarHBondContact CB-OD1 3.41Å; P653-N801 VanDerWaalsContact CD-ND2 3.31Å; P653-N801 WeakPolarHBondContact CD-ND2 3.49Å; P653-N801 PolarHBondContact O-ND2 3.29Å; P653-F803 HydrophobicContact CB-CE1 3.9Å; P653-F803 HydrophobicContact CB-CZ 4.23Å; P653-F803 HydrophobicContact CG-CE1 4.1Å; P653-K804 HydrophobicContact CG-CB 4.43Å
654V96.2Very high92Very high0 Ų044.5 Ų44.50%021%0.209CC..EExtended strand (participates in β ladder)trans-134163.2171.8-61.60000110.1L648 G686 C687 I689 V727 L793 I794 R795L648-V654 HydrophobicContact CD2-CG1 4.4Å; V654-G686 WeakPolarHBondContact O-CA 3.47Å; V654-C687 WeakPolarHBondContact CG2-SG 3.37Å; V654-C687 PolarHBondContact N-O 2.94Å; V654-C687 PolarHBondContact O-N 3.38Å; V654-C687 VanDerWaalsContact O-O 3.13Å; V654-I689 HydrophobicContact CG1-CD1 3.99Å; V654-I689 HydrophobicContact CG1-CG1 4.04Å; V654-I689 HydrophobicContact CG2-CD1 3.94Å; V654-I689 HydrophobicContact CG2-CG1 4.43Å; V654-V727 HydrophobicContact CG2-CG1 4.48Å; V654-L793 HydrophobicContact CB-CD1 4.1Å; V654-L793 HydrophobicContact CG2-CD1 3.93Å; V654-I794 CarbonylContact C-O 3.57Å; V654-I794 WeakPolarHBondContact CA-O 3.28Å; V654-R795 HydrophobicContact CG1-CB 4.2Å
655F97.8Very high92Very high1 Ų147.9 Ų47.90%0.00422%0.224CC..EExtended strand (participates in β ladder)trans-123.5131.5-175.7-62.9-91.7000111.5Y518 I572 V684 R685 L793 I794 R796 F803Y518-F655 HydrophobicContact CD1-CE1 4.35Å; I572-F655 HydrophobicContact CB-CZ 4.45Å; I572-F655 HydrophobicContact CD1-CE1 4.18Å; I572-F655 HydrophobicContact CD1-CZ 3.61Å; I572-F655 HydrophobicContact CG1-CE2 4.28Å; I572-F655 HydrophobicContact CG1-CZ 3.76Å; I572-F655 HydrophobicContact CG2-CD1 4.43Å; I572-F655 HydrophobicContact CG2-CE1 3.87Å; I572-F655 HydrophobicContact CG2-CE2 4.27Å; I572-F655 HydrophobicContact CG2-CZ 3.79Å; F655-V684 HydrophobicContact CD1-CG1 3.98Å; F655-R685 CarbonylContact C-O 3.59Å; F655-R685 WeakPolarHBondContact CA-O 3.48Å; F655-L793 WeakPolarHBondContact O-CA 3.29Å; F655-I794 HydrophobicContact CB-CB 4.31Å; F655-I794 PolarHBondContact N-O 3.06Å; F655-I794 PolarHBondContact O-N 3.21Å; F655-R796 HydrophobicContact CD2-CG 4.49Å; F655-R796 HydrophobicContact CE2-CG 4.01Å; F655-F803 HydrophobicContact CZ-CE1 4.22Å; F655-F803 AromaticContact CZ-CZ 3.88Å; F655-F803 HydrophobicContact CZ-CZ 3.88Å
656L98.3Very high91.6Very high0 Ų051.1 Ų51.10%026%0.258CS..EExtended strand (participates in β ladder)trans-94.8128.5171.3-59.1167.4000108.3I605 F608 V630 V684 R685 L729 F790 L793I605-L656 HydrophobicContact CD1-CD2 3.79Å; F608-L656 HydrophobicContact CD2-CD1 4.27Å; F608-L656 HydrophobicContact CD2-CD2 4.14Å; F608-L656 HydrophobicContact CE2-CD1 3.39Å; F608-L656 HydrophobicContact CE2-CD2 4.01Å; F608-L656 HydrophobicContact CE2-CG 4.35Å; F608-L656 HydrophobicContact CZ-CD1 3.82Å; V630-L656 HydrophobicContact CG1-CD2 4.29Å; V630-L656 HydrophobicContact CG2-CD2 4.1Å; L656-V684 WeakPolarHBondContact O-CA 3.47Å; L656-R685 PolarHBondContact N-O 2.9Å; L656-R685 PolarHBondContact O-N 3.18Å; L656-L729 HydrophobicContact CD1-CD2 3.64Å; L656-F790 HydrophobicContact CB-CB 4.39Å; L656-F790 HydrophobicContact CB-CD1 3.64Å; L656-F790 HydrophobicContact CB-CD2 4.07Å; L656-F790 HydrophobicContact CB-CE1 3.87Å; L656-F790 HydrophobicContact CB-CE2 4.25Å; L656-F790 HydrophobicContact CB-CG 3.77Å; L656-F790 HydrophobicContact CB-CZ 4.19Å; L656-F790 HydrophobicContact CD1-CD2 4.13Å; L656-F790 HydrophobicContact CD1-CE2 4.16Å; L656-L793 HydrophobicContact CD2-CD1 3.91Å
657V98Very high91.6Very high0 Ų052.6 Ų52.60%026%0.261CS..EExtended strand (participates in β ladder)trans-130.3140.3-175-177.20000110.9I580 I659 L681 Y683 V684 N791 V792 I794I580-V657 HydrophobicContact CD1-CG1 4.12Å; V657-I659 HydrophobicContact CG1-CD1 4.42Å; V657-I659 HydrophobicContact CG1-CG1 3.89Å; V657-L681 HydrophobicContact CG1-CD1 4.12Å; V657-L681 HydrophobicContact CG1-CG 4.3Å; V657-Y683 VanDerWaalsContact CA-O 3.3Å; V657-Y683 WeakPolarHBondContact CA-O 3.5Å; V657-V684 HydrophobicContact CG1-CG2 4.43Å; V657-V684 HydrophobicContact CG2-CG1 4.41Å; V657-V684 HydrophobicContact CG2-CG2 4.24Å; V657-N791 PolarHBondContact O-N 3.02Å; V657-N791 PolarHBondContact O-OD1 3.03Å; V657-V792 HydrophobicContact CB-CB 4.25Å; V657-V792 PolarHBondContact N-O 3.35Å; V657-V792 PolarHBondContact O-N 3.29Å; V657-I794 HydrophobicContact CG2-CD1 3.73Å; V657-I794 HydrophobicContact CG2-CG1 4.13Å
658T97.5Very high91.6Very high1 Ų160.3 Ų60.31%0.00629%0.287CS..EExtended strand (participates in β ladder)trans-107.2116.8172.6-60.80000110R660 H682 Y683 T789 F790T658-R660 HydrophobicContact CG2-CG 4.42Å; T658-H682 HydrophobicContact CG2-CB 4.26Å; T658-H682 PolarHBondContact O-N 2.96Å; T658-Y683 HydrophobicContact CG2-CD2 4.11Å; T658-Y683 PolarHBondContact N-O 2.74Å; T658-T789 WeakPolarHBondContact CG2-O 3.47Å; T658-T789 WeakPolarHBondContact CG2-OG1 3.21Å; T658-T789 PolarHBondContact OG1-O 3.07Å; T658-T789 PolarHBondContact OG1-OG1 2.91Å; T658-F790 WeakPolarHBondContact OG1-CD1 3.5Å; T658-F790 PolarHBondContact OG1-N 3.37Å
659I96.7Very high91.4Very high0 Ų063.4 Ų63.40%030%0.3CS..EExtended strand (participates in β ladder)trans-115.3124.8176.5-51.2-174.9000109.9I580 A585 A593 F595 V657 V679 G680 N791 V792I580-I659 HydrophobicContact CB-CD1 4.45Å; I580-I659 HydrophobicContact CD1-CD1 3.81Å; I580-I659 HydrophobicContact CG1-CD1 3.85Å; I580-I659 HydrophobicContact CG2-CD1 3.87Å; A585-I659 HydrophobicContact CB-CG2 3.93Å; A593-I659 WeakPolarHBondContact CB-O 3.41Å; F595-I659 HydrophobicContact CE1-CD1 4.21Å; V657-I659 HydrophobicContact CG1-CD1 4.42Å; V657-I659 HydrophobicContact CG1-CG1 3.89Å; I659-V679 VanDerWaalsContact CG2-O 3.27Å; I659-V679 WeakPolarHBondContact CG2-O 3.47Å; I659-G680 CarbonylContact C-O 3.56Å; I659-G680 WeakPolarHBondContact CA-O 3.44Å; I659-N791 PolarHBondContact N-OD1 2.86Å; I659-N791 PolarHBondContact O-ND2 3.33Å; I659-V792 HydrophobicContact CD1-CB 4.49Å; I659-V792 HydrophobicContact CD1-CG2 3.79Å; I659-V792 HydrophobicContact CG1-CG2 4.19Å
660R94.8Very high91.4Very high88 Ų8861.5 Ų61.533%0.33230%0.298SS..  trans-124.382.8173.9-63.4-178.9171.8165.3-5.6109.7T658 T662 G680 E784T658-R660 HydrophobicContact CG2-CG 4.42Å; R660-T662 PolarHBondContact O-N 3.47Å; R660-G680 PolarHBondContact N-O 3.42Å; R660-G680 WeakPolarHBondContact O-CA 3.44Å; R660-E784 IonicContact CZ-OE1 2.77Å; R660-E784 IonicContact CZ-OE2 3Å; R660-E784 IonicContact NH1-OE1 2.98Å; R660-E784 PolarHBondContact NH1-OE1 3.22Å; R660-E784 IonicContact NH1-OE2 3.55Å; R660-E784 IonicContact NH2-OE1 3.86Å; R660-E784 PolarHBondContact NH2-OE1 2.86Å; R660-E784 IonicContact NH2-OE2 3.85Å; R660-E784 PolarHBondContact NH2-OE2 3.4Å
661P93.6Very high91.2Very high6 Ų660.7 Ų60.74%0.03930%0.302CS..  trans-63.7136.9-176.526.5-32000110.6A585 W586 R587 A593A585-P661 HydrophobicContact CB-CB 4.32Å; A585-P661 HydrophobicContact CB-CG 4.34Å; W586-P661 WeakPolarHBondContact O-CG 3.49Å; R587-P661 VanDerWaalsContact CB-O 3.27Å; R587-P661 WeakPolarHBondContact CB-O 3.05Å; A593-P661 VanDerWaalsContact CB-CD 3.49Å; A593-P661 HydrophobicContact CB-CG 3.96Å
662T90.2Very high90.7Very high87 Ų8763.7 Ų63.753%0.53432%0.321SS..  trans-98.4-20.1176.356.20000112.7R660R660-T662 PolarHBondContact O-N 3.47Å
663K91.3Very high90.4Very high90 Ų9066.5 Ų66.539%0.39133%0.332SS..SBendtrans-86.3149.4-175.9-54.1-64.6-175.5175.40111.7R587 W667R587-K663 WeakPolarHBondContact CB-O 3.27Å; R587-K663 PolarHBondContact N-O 3.35Å; K663-W667 HydrophobicContact CB-CB 3.96Å; K663-W667 HydrophobicContact CB-CD2 3.99Å; K663-W667 HydrophobicContact CB-CG 3.6Å; K663-W667 HydrophobicContact CG-CD2 4.03Å; K663-W667 HydrophobicContact CG-CE3 4.26Å; K663-W667 HydrophobicContact CG-CG 4.14Å
664Q90.4Very high90.1Very high164 Ų16470.5 Ų70.577%0.76636%0.359SS*.PPolyproline II helixtrans-74.8169.3175.1-66.7-173.4-1300112.1
665Q90.7Very high89.9Confident124 Ų12471 Ų7158%0.57936%0.361SS*.THydrogen-bonded Turntrans-54.3140.6178.2-164179.423.300111.9W586 D596W586-Q665 HydrophobicContact CD2-CB 3.77Å; W586-Q665 HydrophobicContact CD2-CG 3.97Å; W586-Q665 HydrophobicContact CE3-CB 3.76Å; W586-Q665 HydrophobicContact CE3-CG 4.39Å; W586-Q665 HydrophobicContact CG-CB 4.22Å; W586-Q665 HydrophobicContact CG-CG 4.31Å; W586-Q665 HydrophobicContact CH2-CB 4.46Å; W586-Q665 HydrophobicContact CZ2-CB 4.44Å; W586-Q665 HydrophobicContact CZ2-CG 4.15Å; W586-Q665 HydrophobicContact CZ3-CB 4.13Å; D596-Q665 PolarHBondContact OD2-NE2 3.5Å
666G85.1Confident89.6Confident68 Ų6872.2 Ų72.270%0.70137%0.371SS*.THydrogen-bonded Turntrans82.27.3175.200000116.1
667W89.8Confident89.3Confident67 Ų6775.9 Ų75.925%0.25440%0.397SS..  trans-62.3156.9171.780.6-81.1000112.1A585 K663 F669 Q678 V679A585-W667 PolarHBondContact O-NE1 2.71Å; K663-W667 HydrophobicContact CB-CB 3.96Å; K663-W667 HydrophobicContact CB-CD2 3.99Å; K663-W667 HydrophobicContact CB-CG 3.6Å; K663-W667 HydrophobicContact CG-CD2 4.03Å; K663-W667 HydrophobicContact CG-CE3 4.26Å; K663-W667 HydrophobicContact CG-CG 4.14Å; W667-F669 HydrophobicContact CH2-CB 4.42Å; W667-F669 HydrophobicContact CH2-CD2 4.05Å; W667-F669 HydrophobicContact CZ3-CB 4.32Å; W667-F669 HydrophobicContact CZ3-CD2 4.34Å; W667-Q678 HydrophobicContact CH2-CB 4.02Å; W667-Q678 HydrophobicContact CZ3-CB 4.14Å; W667-V679 HydrophobicContact CH2-CG1 3.99Å; W667-V679 HydrophobicContact CZ2-CG1 4.16Å
668K86.4Confident89Confident189 Ų18976.2 Ų76.282%0.82240%0.398SS*.  trans-117.2136.6179.8-66-175.7179.8-179.90110.7
669F86.1Confident88.8Confident75 Ų7576.3 Ų76.333%0.32940%0.399SS..  trans-66.5132.7177.2-177.5-104.1000111.8V581 W667 M671 F675 V679V581-F669 HydrophobicContact CG2-CD2 4.45Å; V581-F669 HydrophobicContact CG2-CG 4.42Å; W667-F669 HydrophobicContact CH2-CB 4.42Å; W667-F669 HydrophobicContact CH2-CD2 4.05Å; W667-F669 HydrophobicContact CZ3-CB 4.32Å; W667-F669 HydrophobicContact CZ3-CD2 4.34Å; F669-M671 HydrophobicContact CD1-CG 4.29Å; F669-M671 HydrophobicContact CE1-CG 3.96Å; F669-F675 AromaticContact CE2-CD2 3.57Å; F669-F675 HydrophobicContact CE2-CD2 3.57Å; F669-F675 AromaticContact CE2-CE2 4Å; F669-F675 HydrophobicContact CE2-CE2 4Å; F669-F675 AromaticContact CZ-CD2 3.62Å; F669-F675 HydrophobicContact CZ-CD2 3.62Å; F669-F675 HydrophobicContact CZ-CE2 4.21Å; F669-V679 HydrophobicContact CD2-CG1 4.5Å
670N84.6Confident88.7Confident58 Ų5876.6 Ų76.631%0.3140%0.401SS..  trans-109.7115.9176.6-1761.5000109.9N672 E673 Q678N670-N672 PolarHBondContact O-N 3.18Å; N670-N672 VanDerWaalsContact O-N 3.14Å; N670-N672 PolarHBondContact OD1-N 3.22Å; N670-N672 VanDerWaalsContact OD1-N 3.17Å; N670-E673 PolarHBondContact ND2-OE1 3.18Å; N670-E673 PolarHBondContact O-N 3.08Å; N670-Q678 PolarHBondContact O-NE2 2.72Å; N670-Q678 PolarHBondContact O-OE1 2.87Å
671M78.9Confident88.7Confident128 Ų12873 Ų7363%0.63139%0.389SS*.THydrogen-bonded Turntrans-65.9-16-178.5-63.4-174.379.400114F669F669-M671 HydrophobicContact CD1-CG 4.29Å; F669-M671 HydrophobicContact CE1-CG 3.96Å
672N75.4Confident88.7Confident151 Ų15176.4 Ų76.481%0.80740%0.404SS*.THydrogen-bonded Turntrans-91-10.3-177.1-62.5-30000113.8N670N670-N672 PolarHBondContact O-N 3.18Å; N670-N672 VanDerWaalsContact O-N 3.14Å; N670-N672 PolarHBondContact OD1-N 3.22Å; N670-N672 VanDerWaalsContact OD1-N 3.17Å
673E83.5Confident89.1Confident93 Ų9375 Ų7544%0.43539%0.389SS..SBendtrans-98.7155.3176.4-77.4170.2-139.100109.9N670 F675 Q678N670-E673 PolarHBondContact ND2-OE1 3.18Å; N670-E673 PolarHBondContact O-N 3.08Å; E673-F675 PolarHBondContact O-N 2.99Å; E673-Q678 VanDerWaalsContact C-NE2 3.26Å; E673-Q678 HydrophobicContact CB-CG 3.9Å; E673-Q678 VanDerWaalsContact CB-NE2 3.3Å; E673-Q678 PolarHBondContact O-NE2 3.15Å
674P86.8Confident89.4Confident91 Ų9170.8 Ų70.859%0.59137%0.371SS*.  trans-57.5134.6178.1-23.433.1000111.9S677 Q678P674-S677 PolarHBondContact O-OG 2.73Å; P674-Q678 WeakPolarHBondContact O-CG 3.27Å; P674-Q678 PolarHBondContact O-N 3.46Å; P674-Q678 PolarHBondContact O-NE2 3.29Å
675F91.5Very high89.7Confident11 Ų1163.5 Ų63.55%0.04834%0.336CS..Hα-helixtrans-61.4-54.8-173.7177-94.6000112.5W525 E577 I580 V581 F669 E673 S677 Q678 V679 L681W525-F675 AromaticContact CE2-CD1 3.74Å; W525-F675 AromaticContact CZ2-CD1 3.69Å; W525-F675 HydrophobicContact CZ2-CD1 3.69Å; W525-F675 AromaticContact CZ2-CE1 3.88Å; W525-F675 HydrophobicContact CZ2-CE1 3.88Å; W525-F675 AromaticContact NE1-CD1 3.52Å; W525-F675 AromaticContact NE1-CG 3.95Å; E577-F675 HydrophobicContact CB-CD2 4.33Å; E577-F675 HydrophobicContact CB-CE2 3.93Å; E577-F675 HydrophobicContact CB-CZ 4.09Å; E577-F675 HydrophobicContact CG-CD1 3.92Å; E577-F675 HydrophobicContact CG-CD2 3.76Å; E577-F675 HydrophobicContact CG-CE1 3.9Å; E577-F675 HydrophobicContact CG-CE2 3.75Å; E577-F675 HydrophobicContact CG-CG 3.86Å; E577-F675 HydrophobicContact CG-CZ 3.83Å; I580-F675 HydrophobicContact CB-CZ 4.05Å; I580-F675 HydrophobicContact CD1-CE1 4.49Å; I580-F675 HydrophobicContact CG2-CZ 4.03Å; V581-F675 HydrophobicContact CG2-CE2 3.75Å; V581-F675 HydrophobicContact CG2-CZ 4.49Å; F669-F675 AromaticContact CE2-CD2 3.57Å; F669-F675 HydrophobicContact CE2-CD2 3.57Å; F669-F675 AromaticContact CE2-CE2 4Å; F669-F675 HydrophobicContact CE2-CE2 4Å; F669-F675 AromaticContact CZ-CD2 3.62Å; F669-F675 HydrophobicContact CZ-CD2 3.62Å; F669-F675 HydrophobicContact CZ-CE2 4.21Å; E673-F675 PolarHBondContact O-N 2.99Å; F675-S677 PolarHBondContact O-N 2.84Å; F675-Q678 PolarHBondContact O-N 2.88Å; F675-V679 HydrophobicContact CD1-CG2 4.31Å; F675-V679 HydrophobicContact CE1-CG2 3.85Å; F675-V679 HydrophobicContact CE2-CG1 4.18Å; F675-V679 HydrophobicContact CZ-CG1 4.15Å; F675-V679 HydrophobicContact CZ-CG2 4.07Å; F675-V679 PolarHBondContact O-N 3.4Å; F675-L681 HydrophobicContact CE1-CD1 4.24Å
676A92.1Very high90Very high25 Ų2557.6 Ų57.621%0.20731%0.309CS..Hα-helixtrans-60.7-41.4-170.800000112.7W525 Q678 G680 L681W525-A676 HydrophobicContact CD2-CB 4.43Å; A676-Q678 PolarHBondContact O-N 2.87Å; A676-G680 CarbonylContact O-C 3.37Å; A676-G680 WeakPolarHBondContact O-CA 3.44Å; A676-G680 PolarHBondContact O-N 3.13Å; A676-L681 HydrophobicContact CB-CB 4.22Å; A676-L681 HydrophobicContact CB-CD2 4.32Å; A676-L681 PolarHBondContact O-N 3.4Å
677S91.6Very high90.5Very high78 Ų7854.3 Ų54.355%0.54528%0.275SS..Hα-helixtrans-70.6-30.7-18060.50000113.5P674 F675P674-S677 PolarHBondContact O-OG 2.73Å; F675-S677 PolarHBondContact O-N 2.84Å
678Q92.3Very high90.7Very high6 Ų652 Ų523%0.02827%0.267CS..Hα-helixtrans-69.3-47.8178.4-77.3-178.87900112.6W667 N670 E673 P674 F675 A676 G680W667-Q678 HydrophobicContact CH2-CB 4.02Å; W667-Q678 HydrophobicContact CZ3-CB 4.14Å; N670-Q678 PolarHBondContact O-NE2 2.72Å; N670-Q678 PolarHBondContact O-OE1 2.87Å; E673-Q678 VanDerWaalsContact C-NE2 3.26Å; E673-Q678 HydrophobicContact CB-CG 3.9Å; E673-Q678 VanDerWaalsContact CB-NE2 3.3Å; E673-Q678 PolarHBondContact O-NE2 3.15Å; P674-Q678 WeakPolarHBondContact O-CG 3.27Å; P674-Q678 PolarHBondContact O-N 3.46Å; P674-Q678 PolarHBondContact O-NE2 3.29Å; F675-Q678 PolarHBondContact O-N 2.88Å; A676-Q678 PolarHBondContact O-N 2.87Å; Q678-G680 VanDerWaalsContact C-N 3.35Å
679V92.7Very high91.1Very high4 Ų443 Ų432%0.02423%0.228CC..Hα-helixtrans-83.9-15.6-178.1-57.70000112.3I580 I659 W667 F669 F675 L681I580-V679 HydrophobicContact CG2-CB 4.04Å; I580-V679 HydrophobicContact CG2-CG1 4.1Å; I580-V679 HydrophobicContact CG2-CG2 4.07Å; I659-V679 VanDerWaalsContact CG2-O 3.27Å; I659-V679 WeakPolarHBondContact CG2-O 3.47Å; W667-V679 HydrophobicContact CH2-CG1 3.99Å; W667-V679 HydrophobicContact CZ2-CG1 4.16Å; F669-V679 HydrophobicContact CD2-CG1 4.5Å; F675-V679 HydrophobicContact CD1-CG2 4.31Å; F675-V679 HydrophobicContact CE1-CG2 3.85Å; F675-V679 HydrophobicContact CE2-CG1 4.18Å; F675-V679 HydrophobicContact CZ-CG1 4.15Å; F675-V679 HydrophobicContact CZ-CG2 4.07Å; F675-V679 PolarHBondContact O-N 3.4Å; V679-L681 HydrophobicContact CG2-CB 3.8Å
680G94Very high91.4Very high5 Ų540.8 Ų40.85%0.05222%0.219CC..THydrogen-bonded Turntrans75.739-173.800000112.5I659 R660 A676 Q678 H682I659-G680 CarbonylContact C-O 3.56Å; I659-G680 WeakPolarHBondContact CA-O 3.44Å; R660-G680 PolarHBondContact N-O 3.42Å; R660-G680 WeakPolarHBondContact O-CA 3.44Å; A676-G680 CarbonylContact O-C 3.37Å; A676-G680 WeakPolarHBondContact O-CA 3.44Å; A676-G680 PolarHBondContact O-N 3.13Å; Q678-G680 VanDerWaalsContact C-N 3.35Å; G680-H682 PolarHBondContact O-CD2 2.99Å; G680-H682 VanDerWaalsContact O-CD2 3.23Å
681L95.7Very high91.8Very high13 Ų1338.1 Ų38.17%0.06821%0.205CC..EExtended strand (participates in β ladder)trans-76124.2174.4-179150.8000109.3E521 W525 I576 I580 V657 F675 A676 V679 V684E521-L681 HydrophobicContact CB-CD2 4.19Å; W525-L681 HydrophobicContact CE3-CD2 4.03Å; W525-L681 HydrophobicContact CH2-CD1 3.26Å; W525-L681 HydrophobicContact CH2-CD2 3.66Å; W525-L681 HydrophobicContact CH2-CG 4.12Å; W525-L681 HydrophobicContact CZ2-CD1 3.81Å; W525-L681 HydrophobicContact CZ2-CD2 4.49Å; W525-L681 HydrophobicContact CZ3-CD1 3.93Å; W525-L681 HydrophobicContact CZ3-CD2 3.37Å; W525-L681 HydrophobicContact CZ3-CG 4.32Å; I576-L681 HydrophobicContact CG2-CD1 4.12Å; I580-L681 HydrophobicContact CD1-CD1 3.59Å; V657-L681 HydrophobicContact CG1-CD1 4.12Å; V657-L681 HydrophobicContact CG1-CG 4.3Å; F675-L681 HydrophobicContact CE1-CD1 4.24Å; A676-L681 HydrophobicContact CB-CB 4.22Å; A676-L681 HydrophobicContact CB-CD2 4.32Å; A676-L681 PolarHBondContact O-N 3.4Å; V679-L681 HydrophobicContact CG2-CB 3.8Å; L681-V684 HydrophobicContact CD1-CG2 4.17Å; L681-V684 HydrophobicContact CD2-CG2 4.03Å; L681-V684 HydrophobicContact CG-CG2 4.41Å
682H94.6Very high92.4Very high78 Ų7832.2 Ų32.236%0.36118%0.176SC..EExtended strand (participates in β ladder)trans-110.2-46.6-178.7-77-86.5000113.4E521 T658 G680E521-H682 WeakPolarHBondContact CG-O 3.37Å; T658-H682 HydrophobicContact CG2-CB 4.26Å; T658-H682 PolarHBondContact O-N 2.96Å; G680-H682 PolarHBondContact O-CD2 2.99Å; G680-H682 VanDerWaalsContact O-CD2 3.23Å
683Y97.1Very high93.2Very high58 Ų5825.5 Ų25.523%0.22714%0.14CC..EExtended strand (participates in β ladder)trans-136.8142.4-173.3-56.1-63.1000111.4E521 V657 T658 L786E521-Y683 WeakPolarHBondContact OE2-CA 3.35Å; V657-Y683 VanDerWaalsContact CA-O 3.3Å; V657-Y683 WeakPolarHBondContact CA-O 3.5Å; T658-Y683 HydrophobicContact CG2-CD2 4.11Å; T658-Y683 PolarHBondContact N-O 2.74Å; Y683-L786 HydrophobicContact CD1-CD2 4.46Å; Y683-L786 HydrophobicContact CD2-CB 3.97Å; Y683-L786 HydrophobicContact CE2-CB 3.94Å; Y683-L786 HydrophobicContact CG-CB 4.31Å
684V97.6Very high93.4Very high0 Ų022.5 Ų22.50%013%0.127CC..EExtended strand (participates in β ladder)trans-131.9122.2170.5-178.60000108.6E521 I524 W525 I576 F655 L656 V657 L681E521-V684 PolarHBondContact OE2-N 2.9Å; I524-V684 HydrophobicContact CD1-CB 4.02Å; I524-V684 HydrophobicContact CD1-CG1 3.79Å; I524-V684 HydrophobicContact CD1-CG2 4.22Å; W525-V684 HydrophobicContact CH2-CG2 4.05Å; W525-V684 HydrophobicContact CZ3-CG2 3.9Å; I576-V684 HydrophobicContact CD1-CG1 3.81Å; I576-V684 HydrophobicContact CD1-CG2 4.36Å; F655-V684 HydrophobicContact CD1-CG1 3.98Å; L656-V684 WeakPolarHBondContact O-CA 3.47Å; V657-V684 HydrophobicContact CG1-CG2 4.43Å; V657-V684 HydrophobicContact CG2-CG1 4.41Å; V657-V684 HydrophobicContact CG2-CG2 4.24Å; L681-V684 HydrophobicContact CD1-CG2 4.17Å; L681-V684 HydrophobicContact CD2-CG2 4.03Å; L681-V684 HydrophobicContact CG-CG2 4.41Å
685R97.3Very high93.2Very high11 Ų1125.4 Ų25.44%0.04213%0.131CC..EExtended strand (participates in β ladder)trans-128.4136175-64.9-62.9177.2-87.23110.5E521 F655 L656 Q733 D737 L786 F790E521-R685 VanDerWaalsContact CD-NH1 3.27Å; E521-R685 IonicContact OE1-CZ 3.67Å; E521-R685 IonicContact OE1-NH1 3.67Å; E521-R685 PolarHBondContact OE1-NH1 3.44Å; E521-R685 IonicContact OE1-NH2 2.96Å; E521-R685 PolarHBondContact OE1-NH2 3.3Å; E521-R685 IonicContact OE2-CZ 2.71Å; E521-R685 IonicContact OE2-NH1 3.89Å; E521-R685 PolarHBondContact OE2-NH1 3Å; F655-R685 CarbonylContact C-O 3.59Å; F655-R685 WeakPolarHBondContact CA-O 3.48Å; L656-R685 PolarHBondContact N-O 2.9Å; L656-R685 PolarHBondContact O-N 3.18Å; R685-Q733 VanDerWaalsContact CD-OE1 3.31Å; R685-D737 IonicContact CZ-OD1 3.18Å; R685-D737 IonicContact CZ-OD2 3.34Å; R685-D737 IonicContact NE-OD1 2.9Å; R685-D737 PolarHBondContact NE-OD1 3.02Å; R685-D737 IonicContact NE-OD2 2.9Å; R685-D737 PolarHBondContact NE-OD2 3.47Å; R685-D737 IonicContact NH2-OD1 2.58Å; R685-D737 PolarHBondContact NH2-OD1 3.39Å; R685-D737 IonicContact NH2-OD2 3.14Å; R685-L786 HydrophobicContact CG-CD1 4.34Å; R685-F790 HydrophobicContact CB-CE1 4.21Å; R685-F790 HydrophobicContact CB-CZ 3.81Å; R685-F790 HydrophobicContact CG-CE1 4.02Å; R685-F790 HydrophobicContact CG-CZ 3.5Å; R685-F790 VanDerWaalsContact CG-CZ 3.5Å
686G96.2Very high92.8Very high0 Ų031.5 Ų31.50%016%0.159CC..EExtended strand (participates in β ladder)trans-93.7145.7178.200000112V654V654-G686 WeakPolarHBondContact O-CA 3.47Å
687C96.3Very high92.3Very high0 Ų031.8 Ų31.80%017%0.165CC..EExtended strand (participates in β ladder)trans-150160.7175.961.40000111.6P653 V654 V727 R728 L729P653-C687 CarbonylContact C-O 3.58Å; P653-C687 WeakPolarHBondContact CA-O 3.33Å; V654-C687 WeakPolarHBondContact CG2-SG 3.37Å; V654-C687 PolarHBondContact N-O 2.94Å; V654-C687 PolarHBondContact O-N 3.38Å; V654-C687 VanDerWaalsContact O-O 3.13Å; C687-V727 HydrophobicContact CB-CB 4.15Å; C687-V727 HydrophobicContact CB-CG2 4.22Å; C687-R728 VanDerWaalsContact CA-O 3.29Å; C687-R728 WeakPolarHBondContact CA-O 3.18Å; C687-R728 VanDerWaalsContact CB-O 3.24Å; C687-R728 WeakPolarHBondContact CB-O 3.27Å; C687-L729 HydrophobicContact CB-CD2 3.91Å
688E94.5Very high92.1Very high18 Ų1834.1 Ų34.18%0.08417%0.165CC..EExtended strand (participates in β ladder)trans-103.9140.9176.4-62.6-170.3143.200111Y518 H651 D652 E690 V727 R728 K804Y518-E688 WeakPolarHBondContact OH-CG 3.3Å; H651-E688 IonicContact ND1-OE2 3.57Å; D652-E688 WeakPolarHBondContact O-CA 3.37Å; E688-E690 PolarHBondContact O-N 3.37Å; E688-V727 CarbonylContact O-C 3.6Å; E688-V727 WeakPolarHBondContact O-CA 3.3Å; E688-R728 PolarHBondContact N-O 2.96Å; E688-R728 PolarHBondContact O-N 2.91Å; E688-R728 IonicContact OE2-CZ 2.81Å; E688-R728 IonicContact OE2-NH1 3.76Å; E688-R728 IonicContact OE2-NH2 3.44Å; E688-R728 PolarHBondContact OE2-NH2 2.99Å; E688-K804 HydrophobicContact CG-CD 4.18Å; E688-K804 VanDerWaalsContact OE1-CD 3.29Å; E688-K804 WeakPolarHBondContact OE1-CD 3.19Å; E688-K804 VanDerWaalsContact OE1-CE 3.29Å; E688-K804 WeakPolarHBondContact OE1-CE 3.47Å; E688-K804 IonicContact OE1-NZ 3.79Å; E688-K804 PolarHBondContact OE1-NZ 3.48Å; E688-K804 IonicContact OE2-NZ 2.94Å; E688-K804 PolarHBondContact OE2-NZ 3.04Å
689I94.2Very high91.9Very high1 Ų136.9 Ų36.91%0.00518%0.179CC..EExtended strand (participates in β ladder)trans-62.5128.9167.5-58.3-64.7000109.2L648 R649 R650 H651 D652 V654 W725 V727L648-I689 HydrophobicContact CB-CG1 4.4Å; L648-I689 HydrophobicContact CD1-CD1 4.24Å; R649-I689 VanDerWaalsContact O-CB 3.32Å; R649-I689 WeakPolarHBondContact O-CB 3.4Å; R649-I689 WeakPolarHBondContact O-CG2 3.4Å; R650-I689 CarbonylContact C-O 3.58Å; R650-I689 WeakPolarHBondContact CA-O 3.49Å; H651-I689 PolarHBondContact N-O 3.39Å; D652-I689 HydrophobicContact CB-CG1 4.21Å; D652-I689 WeakPolarHBondContact O-CG1 3.29Å; D652-I689 PolarHBondContact O-N 3.21Å; V654-I689 HydrophobicContact CG1-CD1 3.99Å; V654-I689 HydrophobicContact CG1-CG1 4.04Å; V654-I689 HydrophobicContact CG2-CD1 3.94Å; V654-I689 HydrophobicContact CG2-CG1 4.43Å; I689-W725 HydrophobicContact CD1-CB 4.17Å; I689-W725 HydrophobicContact CD1-CG 4.29Å; I689-V727 HydrophobicContact CD1-CG1 4.06Å
690E93.5Very high91.4Very high27 Ų2737.1 Ų37.113%0.12618%0.181CC..EExtended strand (participates in β ladder)trans-92.9-39.3168.7-171170.5-178.400110.8R627 R650 E688 L699 R726 R728R627-E690 IonicContact CZ-OE1 2.81Å; R627-E690 VanDerWaalsContact CZ-OE1 3.3Å; R627-E690 IonicContact CZ-OE2 3.51Å; R627-E690 IonicContact NE-OE1 2.86Å; R627-E690 PolarHBondContact NE-OE1 2.82Å; R627-E690 IonicContact NE-OE2 3.96Å; R627-E690 PolarHBondContact NE-OE2 3.37Å; R627-E690 IonicContact NH2-OE1 3.65Å; R627-E690 PolarHBondContact NH2-OE1 3.22Å; R627-E690 IonicContact NH2-OE2 3.75Å; R650-E690 WeakPolarHBondContact CG-O 3.19Å; E688-E690 PolarHBondContact O-N 3.37Å; E690-L699 HydrophobicContact CB-CD2 4.49Å; E690-L699 HydrophobicContact CG-CD1 3.8Å; E690-L699 HydrophobicContact CG-CD2 4.29Å; E690-L699 WeakPolarHBondContact OE1-CD1 3.23Å; E690-R726 HydrophobicContact CB-CB 4.33Å; E690-R726 HydrophobicContact CB-CG 4.26Å; E690-R726 WeakPolarHBondContact CB-O 3.41Å; E690-R726 PolarHBondContact N-O 3.36Å; E690-R728 HydrophobicContact CB-CG 4.38Å
691G92Very high90.7Very high2 Ų239.5 Ų39.52%0.02120%0.196CC..EExtended strand (participates in β ladder)trans164.7175.4175.600000111.6R726G691-R726 PolarHBondContact O-N 2.79Å
692Q92.5Very high89.8Confident4 Ų440 Ų402%0.01920%0.199CC..EExtended strand (participates in β ladder)trans-82.7139.9172.1-169.7174.5-6.200109.8V700 L718Q692-V700 PolarHBondContact O-N 3.46Å; Q692-L718 HydrophobicContact CB-CD2 4.42Å; Q692-L718 HydrophobicContact CG-CD2 3.89Å
693V91.3Very high88.7Confident10 Ų1041.1 Ų41.16%0.06120%0.204CC..EExtended strand (participates in β ladder)trans-95.9133.8179.2-169.90000109.2K698 L699 T724 R726V693-K698 CarbonylContact C-O 3.58Å; V693-K698 WeakPolarHBondContact CA-O 3.48Å; V693-L699 HydrophobicContact CG2-CD2 4.45Å; V693-T724 HydrophobicContact CB-CG2 4.5Å; V693-T724 PolarHBondContact N-O 3.05Å; V693-R726 HydrophobicContact CG2-CB 3.74Å
694D87.4Confident87.4Confident30 Ų3043.3 Ų43.316%0.1622%0.216CC..  trans-76.3-177.7172.371.17.9000112.3E696 G697 K698 V700D694-E696 PolarHBondContact O-N 3.27Å; D694-E696 WeakPolarHBondContact OD1-CA 3.17Å; D694-E696 WeakPolarHBondContact OD1-CB 3.38Å; D694-E696 PolarHBondContact OD1-N 3.09Å; D694-G697 PolarHBondContact O-N 3.37Å; D694-G697 PolarHBondContact OD1-N 2.9Å; D694-K698 PolarHBondContact N-O 3.12Å; D694-K698 PolarHBondContact OD1-N 3.15Å; D694-V700 HydrophobicContact CB-CG2 4.19Å
695K82.6Confident86.3Confident153 Ų15345 Ų4567%0.66522%0.223SC*.THydrogen-bonded Turntrans-65.4-19.5176.4-69.1178.9-176.31740113.9V719K695-V719 HydrophobicContact CD-CG2 4.29Å; K695-V719 VanDerWaalsContact CE-CG2 3.49Å; K695-V719 HydrophobicContact CG-CG2 3.82Å
696E82.5Confident85.1Confident139 Ų13947.4 Ų47.465%0.6524%0.236SC*.THydrogen-bonded Turntrans-89.8-8.5179.4-61-175177.200112.8D694 K698D694-E696 PolarHBondContact O-N 3.27Å; D694-E696 WeakPolarHBondContact OD1-CA 3.17Å; D694-E696 WeakPolarHBondContact OD1-CB 3.38Å; D694-E696 PolarHBondContact OD1-N 3.09Å; E696-K698 IonicContact OE2-NZ 3.61Å; E696-K698 PolarHBondContact OE2-NZ 3.23Å
697G83.5Confident83.6Confident31 Ų3150.1 Ų50.132%0.3226%0.264SS..SBendtrans926.7-176.800000114.4D694 R726D694-G697 PolarHBondContact O-N 3.37Å; D694-G697 PolarHBondContact OD1-N 2.9Å; G697-R726 PolarHBondContact O-NH1 3.12Å; G697-R726 PolarHBondContact O-NH2 3.07Å
698K86.7Confident81.8Confident126 Ų12656.4 Ų56.455%0.54829%0.292SS..PPolyproline II helixtrans-90.5146.9179.9-66.1174-177.4152.50111.5V693 D694 E696V693-K698 CarbonylContact C-O 3.58Å; V693-K698 WeakPolarHBondContact CA-O 3.48Å; D694-K698 PolarHBondContact N-O 3.12Å; D694-K698 PolarHBondContact OD1-N 3.15Å; E696-K698 IonicContact OE2-NZ 3.61Å; E696-K698 PolarHBondContact OE2-NZ 3.23Å
699L87.7Confident80Confident64 Ų6460 Ų6034%0.33531%0.311SS..EExtended strand (participates in β ladder)trans-76.9131175.5-75.6166.5000110.3E690 V693 R726E690-L699 HydrophobicContact CB-CD2 4.49Å; E690-L699 HydrophobicContact CG-CD1 3.8Å; E690-L699 HydrophobicContact CG-CD2 4.29Å; E690-L699 WeakPolarHBondContact OE1-CD1 3.23Å; V693-L699 HydrophobicContact CG2-CD2 4.45Å; L699-R726 HydrophobicContact CD2-CB 3.81Å
700V83.3Confident78Confident10 Ų1065.3 Ų65.36%0.06135%0.345CS..EExtended strand (participates in β ladder)trans-94.8125.5172.6-1760000109.5Q692 D694 R705 P716 L718Q692-V700 PolarHBondContact O-N 3.46Å; D694-V700 HydrophobicContact CB-CG2 4.19Å; V700-R705 HydrophobicContact CG1-CB 4.13Å; V700-P716 HydrophobicContact CG1-CB 4.02Å; V700-P716 HydrophobicContact CG1-CG 3.95Å; V700-P716 HydrophobicContact CG2-CB 4.03Å; V700-L718 HydrophobicContact CB-CD2 4.39Å; V700-L718 HydrophobicContact CG2-CD2 3.72Å; V700-L718 HydrophobicContact CG2-CG 4.41Å
701P78.7Confident75.9Confident55 Ų5569.8 Ų69.836%0.35737%0.369SS..PPolyproline II helixtrans-55.6144.7175.2-24.733.9000112.8E703 E704 R705P701-E703 VanDerWaalsContact C-N 3.27Å; P701-E703 PolarHBondContact O-N 3.34Å; P701-E704 HydrophobicContact CB-CB 4.44Å; P701-E704 HydrophobicContact CB-CG 4.26Å; P701-E704 HydrophobicContact CG-CG 4.39Å; P701-E704 PolarHBondContact O-N 3.3Å; P701-R705 VanDerWaalsContact O-CB 3.26Å; P701-R705 WeakPolarHBondContact O-CB 3.24Å; P701-R705 PolarHBondContact O-N 3.11Å
702D77.5Confident73.9Confident24 Ų2480 Ų8013%0.12841%0.413CS..Hα-helixtrans-62.8-35.7179.9-82.1-26000112R650 R705 L706R650-D702 WeakPolarHBondContact CB-OD2 3.32Å; R650-D702 PolarHBondContact N-OD2 3.26Å; D702-R705 PolarHBondContact O-N 3.45Å; D702-R705 IonicContact OD1-CZ 2.76Å; D702-R705 IonicContact OD1-NE 2.65Å; D702-R705 PolarHBondContact OD1-NE 3.21Å; D702-R705 IonicContact OD1-NH2 3.75Å; D702-R705 PolarHBondContact OD1-NH2 3.43Å; D702-L706 HydrophobicContact CB-CD1 4.44Å; D702-L706 VanDerWaalsContact O-CB 3.22Å; D702-L706 WeakPolarHBondContact O-CB 3.37Å; D702-L706 VanDerWaalsContact O-CG 3.27Å; D702-L706 WeakPolarHBondContact O-CG 3.33Å; D702-L706 PolarHBondContact O-N 3.18Å
703E70.1Confident72.2Confident101 Ų10182.4 Ų82.447%0.47244%0.439SS..Hα-helixtrans-66.5-39.6-178.8-59.681.1-177.700112.2P701 G707 F708 L709P701-E703 VanDerWaalsContact C-N 3.27Å; P701-E703 PolarHBondContact O-N 3.34Å; E703-G707 PolarHBondContact O-N 3.17Å; E703-G707 VanDerWaalsContact O-N 3.14Å; E703-F708 HydrophobicContact CB-CB 4.44Å; E703-F708 PolarHBondContact O-N 3.23Å; E703-L709 HydrophobicContact CB-CD1 3.74Å; E703-L709 HydrophobicContact CB-CG 3.9Å
704E70.3Confident70.6Confident103 Ų10391.1 Ų91.148%0.48148%0.479SS..Hα-helixtrans-72.5-39.5175.3-66.4-179.9-175.900111.4P701 L709P701-E704 HydrophobicContact CB-CB 4.44Å; P701-E704 HydrophobicContact CB-CG 4.26Å; P701-E704 HydrophobicContact CG-CG 4.39Å; P701-E704 PolarHBondContact O-N 3.3Å; E704-L709 HydrophobicContact CG-CD1 4.16Å
705R75.3Confident69.3Low37 Ų3797.6 Ų97.614%0.1451%0.506CS..Hα-helixtrans-70.2-37.1-179.3-172.7176.865.883.77113.3L646 L648 V700 P701 D702 L718L646-R705 PolarHBondContact O-NH1 3.07Å; L648-R705 PolarHBondContact O-NH2 3.17Å; V700-R705 HydrophobicContact CG1-CB 4.13Å; P701-R705 VanDerWaalsContact O-CB 3.26Å; P701-R705 WeakPolarHBondContact O-CB 3.24Å; P701-R705 PolarHBondContact O-N 3.11Å; D702-R705 PolarHBondContact O-N 3.45Å; D702-R705 IonicContact OD1-CZ 2.76Å; D702-R705 IonicContact OD1-NE 2.65Å; D702-R705 PolarHBondContact OD1-NE 3.21Å; D702-R705 IonicContact OD1-NH2 3.75Å; D702-R705 PolarHBondContact OD1-NH2 3.43Å; R705-L718 HydrophobicContact CG-CD1 4.03Å
706L70.6Confident68.3Low60 Ų6092.6 Ų92.631%0.31449%0.489SS..Hα-helixtrans-91.9-7.6-179.9-63.3172000113R649 D702 F708R649-L706 HydrophobicContact CG-CD1 4.38Å; D702-L706 HydrophobicContact CB-CD1 4.44Å; D702-L706 VanDerWaalsContact O-CB 3.22Å; D702-L706 WeakPolarHBondContact O-CB 3.37Å; D702-L706 VanDerWaalsContact O-CG 3.27Å; D702-L706 WeakPolarHBondContact O-CG 3.33Å; D702-L706 PolarHBondContact O-N 3.18Å; L706-F708 HydrophobicContact CB-CD2 3.65Å; L706-F708 HydrophobicContact CB-CE2 3.46Å; L706-F708 VanDerWaalsContact CB-CE2 3.46Å; L706-F708 HydrophobicContact CB-CZ 4.45Å; L706-F708 HydrophobicContact CD1-CD2 4.41Å; L706-F708 HydrophobicContact CD1-CE2 3.76Å; L706-F708 HydrophobicContact CG-CE2 4.24Å
707G65.2Low67.8Low58 Ų5891.1 Ų91.160%0.59849%0.486SS*.THydrogen-bonded Turntrans82.824174.700000115.4E703E703-G707 PolarHBondContact O-N 3.17Å; E703-G707 VanDerWaalsContact O-N 3.14Å
708F58.4Low67.4Low132 Ų13291.4 Ų91.458%0.57948%0.48SS*.  trans-80.4-19.5178.3-67.1-67000113.5E703 L706E703-F708 HydrophobicContact CB-CB 4.44Å; E703-F708 PolarHBondContact O-N 3.23Å; L706-F708 HydrophobicContact CB-CD2 3.65Å; L706-F708 HydrophobicContact CB-CE2 3.46Å; L706-F708 VanDerWaalsContact CB-CE2 3.46Å; L706-F708 HydrophobicContact CB-CZ 4.45Å; L706-F708 HydrophobicContact CD1-CD2 4.41Å; L706-F708 HydrophobicContact CD1-CE2 3.76Å; L706-F708 HydrophobicContact CG-CE2 4.24Å
709L56.1Low66.8Low93 Ų9387.6 Ų87.649%0.48747%0.467SS..SBendtrans-99.2137.3173.9-70.1170.1000110.4E703 E704 L711E703-L709 HydrophobicContact CB-CD1 3.74Å; E703-L709 HydrophobicContact CB-CG 3.9Å; E704-L709 HydrophobicContact CG-CD1 4.16Å; L709-L711 PolarHBondContact O-N 2.94Å
710P53.7Low66.3Low112 Ų11288.9 Ų88.973%0.72747%0.474SS*.  trans-59.7121.616911.9-13.1000109.3K712P710-K712 PolarHBondContact O-N 3.22Å
711L49.3Very low66.3Low121 Ų12191.7 Ų91.763%0.63449%0.492SS*.  trans-55.5101.4-179.2-74152.5000110.1L709 G713 K715L709-L711 PolarHBondContact O-N 2.94Å; L711-G713 VanDerWaalsContact C-N 3.29Å; L711-K715 HydrophobicContact CD2-CG 4.46Å
712K50.1Low66.9Low216 Ų21692.8 Ų92.894%0.93949%0.494SS*.  trans-88.115.4169.9-80.8-167.4175.1-174.40113.3P710P710-K712 PolarHBondContact O-N 3.22Å
713G55.4Low67.7Low55 Ų5591.7 Ų91.757%0.56749%0.488SS*.SBendtrans-171.3-171.9-176.500000115.4L711L711-G713 VanDerWaalsContact C-N 3.29Å
714E57.5Low68.9Low194 Ų19487.8 Ų87.891%0.90747%0.471SS*.PPolyproline II helixtrans-62.8143.4177.7-70.3-173.6164.400112.1
715K60Low70.1Confident165 Ų16583 Ų8372%0.71745%0.449SS*.PPolyproline II helixtrans-61.4138.1178.3-73.1-177.1179.2179.10110.5L711 N717L711-K715 HydrophobicContact CD2-CG 4.46Å; K715-N717 PolarHBondContact O-N 3.41Å
716P63.4Low71.1Confident48 Ų4882.9 Ų82.931%0.31245%0.449SS..PPolyproline II helixtrans-59.5136.4176.423.2-31.9000110.9V700 L718V700-P716 HydrophobicContact CG1-CB 4.02Å; V700-P716 HydrophobicContact CG1-CG 3.95Å; V700-P716 HydrophobicContact CG2-CB 4.03Å; P716-L718 HydrophobicContact CB-CD1 4.5Å; P716-L718 HydrophobicContact CB-CG 4.2Å; P716-L718 HydrophobicContact CG-CD1 4.15Å; P716-L718 HydrophobicContact CG-CG 4.36Å; P716-L718 PolarHBondContact O-N 3.26Å
717N70.9Confident72.3Confident109 Ų10980.1 Ų80.158%0.58343%0.434SS*.  trans-7360.3-178.9-87.5-36.4000112.3K715K715-N717 PolarHBondContact O-N 3.41Å
718L75.6Confident73.8Confident37 Ų3780.7 Ų80.719%0.19442%0.418CS..  trans-77.6147.3-180-67.5173.7000111.9Q692 V700 R705 P716Q692-L718 HydrophobicContact CB-CD2 4.42Å; Q692-L718 HydrophobicContact CG-CD2 3.89Å; V700-L718 HydrophobicContact CB-CD2 4.39Å; V700-L718 HydrophobicContact CG2-CD2 3.72Å; V700-L718 HydrophobicContact CG2-CG 4.41Å; R705-L718 HydrophobicContact CG-CD1 4.03Å; P716-L718 HydrophobicContact CB-CD1 4.5Å; P716-L718 HydrophobicContact CB-CG 4.2Å; P716-L718 HydrophobicContact CG-CD1 4.15Å; P716-L718 HydrophobicContact CG-CG 4.36Å; P716-L718 PolarHBondContact O-N 3.26Å
719V74.4Confident75.7Confident46 Ų4674.7 Ų74.728%0.27939%0.392SS..  trans-103.2100.9173-174.10000108.9K695 T721 L722 P723K695-V719 HydrophobicContact CD-CG2 4.29Å; K695-V719 VanDerWaalsContact CE-CG2 3.49Å; K695-V719 HydrophobicContact CG-CG2 3.82Å; V719-T721 VanDerWaalsContact C-N 3.31Å; V719-T721 PolarHBondContact O-N 3.4Å; V719-L722 HydrophobicContact CG1-CB 4.03Å; V719-L722 CarbonylContact O-C 3.57Å; V719-P723 WeakPolarHBondContact O-CA 3.43Å
720D76Confident77.5Confident90 Ų9071.5 Ų71.548%0.48138%0.375SS..SBendtrans-71.2-24.8-176-66.4-16.7000113.8
721T84.5Confident79.5Confident70 Ų7067.4 Ų67.443%0.42935%0.349SS..SBendtrans-87.9-27.9-176.352.60000113.4L634 A635 V719L634-T721 PolarHBondContact N-O 2.96Å; A635-T721 PolarHBondContact N-O 2.93Å; V719-T721 VanDerWaalsContact C-N 3.31Å; V719-T721 PolarHBondContact O-N 3.4Å
722L91.2Very high81.6Confident77 Ų7762.5 Ų62.540%0.40332%0.324SS..SBendtrans-135.262.1-179.6-71.6165.1000109.9V632 A633 V719V632-L722 WeakPolarHBondContact O-CA 3.42Å; A633-L722 HydrophobicContact CB-CD2 3.83Å; V719-L722 HydrophobicContact CG1-CB 4.03Å; V719-L722 CarbonylContact O-C 3.57Å
723P93Very high83.8Confident1 Ų152.5 Ų52.51%0.00628%0.28CS..  trans-62.3141.418029.6-37.3000110.4R631 V632 L634 V719 W725R631-P723 WeakPolarHBondContact CA-O 3.31Å; V632-P723 HydrophobicContact CG2-CG 4.05Å; V632-P723 PolarHBondContact N-O 2.91Å; V632-P723 WeakPolarHBondContact O-CD 3.31Å; L634-P723 HydrophobicContact CD1-CG 3.61Å; L634-P723 HydrophobicContact CD2-CG 4.49Å; L634-P723 HydrophobicContact CG-CG 3.68Å; V719-P723 WeakPolarHBondContact O-CA 3.43Å; P723-W725 HydrophobicContact CB-CH2 4.12Å; P723-W725 HydrophobicContact CB-CZ2 3.91Å; P723-W725 HydrophobicContact CG-CH2 3.56Å; P723-W725 HydrophobicContact CG-CZ2 3.82Å; P723-W725 HydrophobicContact CG-CZ3 4.05Å
724T94.9Very high85.7Confident20 Ų2051 Ų5112%0.12326%0.258CS..EExtended strand (participates in β ladder)trans-112.4120.3168.2-57.10000107.2D629 V630 R631 V693D629-T724 HydrophobicContact CB-CG2 3.87Å; V630-T724 CarbonylContact O-C 3.56Å; V630-T724 WeakPolarHBondContact O-CA 3.47Å; R631-T724 PolarHBondContact NE-OG1 3.39Å; R631-T724 VanDerWaalsContact NE-OG1 3.14Å; V693-T724 HydrophobicContact CB-CG2 4.5Å; V693-T724 PolarHBondContact N-O 3.05Å
725W95.7Very high87.4Confident2 Ų243.4 Ų43.41%0.00822%0.222CC..EExtended strand (participates in β ladder)trans-101.6134.6173.5-66.8-75.5000109.7D629 V630 V632 W645 L648 I689 P723 L793D629-W725 WeakPolarHBondContact CA-O 3.49Å; V630-W725 PolarHBondContact N-O 3.46Å; V630-W725 PolarHBondContact O-N 3.28Å; V632-W725 HydrophobicContact CB-CZ3 4.43Å; V632-W725 HydrophobicContact CG1-CZ3 4.34Å; V632-W725 HydrophobicContact CG2-CE3 4.3Å; V632-W725 HydrophobicContact CG2-CH2 3.8Å; V632-W725 HydrophobicContact CG2-CZ3 3.3Å; W645-W725 HydrophobicContact CB-CH2 4.46Å; W645-W725 HydrophobicContact CE3-CH2 4.1Å; W645-W725 HydrophobicContact CE3-CZ3 4.42Å; W645-W725 WeakPolarHBondContact O-CZ2 3.01Å; L648-W725 HydrophobicContact CD1-CH2 4.42Å; L648-W725 HydrophobicContact CD1-CZ2 4.2Å; I689-W725 HydrophobicContact CD1-CB 4.17Å; I689-W725 HydrophobicContact CD1-CG 4.29Å; P723-W725 HydrophobicContact CB-CH2 4.12Å; P723-W725 HydrophobicContact CB-CZ2 3.91Å; P723-W725 HydrophobicContact CG-CH2 3.56Å; P723-W725 HydrophobicContact CG-CZ2 3.82Å; P723-W725 HydrophobicContact CG-CZ3 4.05Å; W725-L793 HydrophobicContact CE3-CD2 4.2Å; W725-L793 HydrophobicContact CZ3-CD2 4.14Å
726R96.6Very high89Confident35 Ų3539.6 Ų39.613%0.13221%0.213CC..EExtended strand (participates in β ladder)trans-82.6130.1165.4-174.8157.9-69157.67.2108.3A628 D629 E690 G691 V693 G697 L699A628-R726 CarbonylContact O-C 3.52Å; A628-R726 WeakPolarHBondContact O-CA 3.33Å; D629-R726 WeakPolarHBondContact OD1-CA 3.25Å; D629-R726 WeakPolarHBondContact OD1-CB 3.3Å; D629-R726 WeakPolarHBondContact OD1-CG 3.18Å; D629-R726 IonicContact OD1-CZ 3.81Å; D629-R726 IonicContact OD1-NE 3.16Å; D629-R726 PolarHBondContact OD1-NE 2.98Å; D629-R726 IonicContact OD1-NH2 2.64Å; D629-R726 PolarHBondContact OD1-NH2 3.35Å; D629-R726 IonicContact OD2-CZ 3.53Å; D629-R726 IonicContact OD2-NE 3.46Å; D629-R726 IonicContact OD2-NH2 2.88Å; D629-R726 PolarHBondContact OD2-NH2 2.83Å; E690-R726 HydrophobicContact CB-CB 4.33Å; E690-R726 HydrophobicContact CB-CG 4.26Å; E690-R726 WeakPolarHBondContact CB-O 3.41Å; E690-R726 PolarHBondContact N-O 3.36Å; G691-R726 PolarHBondContact O-N 2.79Å; V693-R726 HydrophobicContact CG2-CB 3.74Å; G697-R726 PolarHBondContact O-NH1 3.12Å; G697-R726 PolarHBondContact O-NH2 3.07Å; L699-R726 HydrophobicContact CD2-CB 3.81Å
727V96.9Very high90.5Very high1 Ų138 Ų381%0.00620%0.202CC..EExtended strand (participates in β ladder)trans-120.9146.4-179.4-55.90000110.7R627 A628 V630 V654 C687 E688 I689R627-V727 WeakPolarHBondContact CA-O 3.16Å; A628-V727 HydrophobicContact CB-CG2 4.02Å; A628-V727 PolarHBondContact N-O 3.18Å; A628-V727 WeakPolarHBondContact O-CG2 3.3Å; A628-V727 PolarHBondContact O-N 3.01Å; V630-V727 HydrophobicContact CG2-CB 4.48Å; V630-V727 HydrophobicContact CG2-CG1 3.91Å; V630-V727 HydrophobicContact CG2-CG2 3.69Å; V654-V727 HydrophobicContact CG2-CG1 4.48Å; C687-V727 HydrophobicContact CB-CB 4.15Å; C687-V727 HydrophobicContact CB-CG2 4.22Å; E688-V727 CarbonylContact O-C 3.6Å; E688-V727 WeakPolarHBondContact O-CA 3.3Å; I689-V727 HydrophobicContact CD1-CG1 4.06Å
728R96.8Very high91.6Very high71 Ų7134.6 Ų34.627%0.26818%0.184SC..EExtended strand (participates in β ladder)trans-97111.6170.3-69.1-173.8-65.4142.45.4109.1V626 R627 H651 C687 E688 E690V626-R728 WeakPolarHBondContact O-CA 3.49Å; R627-R728 HydrophobicContact CG-CG 4.45Å; H651-R728 PolarHBondContact CE1-NH2 3.21Å; H651-R728 PolarHBondContact ND1-NH2 3.14Å; C687-R728 VanDerWaalsContact CA-O 3.29Å; C687-R728 WeakPolarHBondContact CA-O 3.18Å; C687-R728 VanDerWaalsContact CB-O 3.24Å; C687-R728 WeakPolarHBondContact CB-O 3.27Å; E688-R728 PolarHBondContact N-O 2.96Å; E688-R728 PolarHBondContact O-N 2.91Å; E688-R728 IonicContact OE2-CZ 2.81Å; E688-R728 IonicContact OE2-NH1 3.76Å; E688-R728 IonicContact OE2-NH2 3.44Å; E688-R728 PolarHBondContact OE2-NH2 2.99Å; E690-R728 HydrophobicContact CB-CG 4.38Å
729L97Very high92.4Very high6 Ų636.1 Ų36.13%0.03119%0.192CC..EExtended strand (participates in β ladder)trans-73.9152.4172.2-63.5170.6000109.3F608 V626 A628 L656 C687 P731 Y787F608-L729 HydrophobicContact CZ-CD1 4.2Å; F608-L729 HydrophobicContact CZ-CD2 4.37Å; V626-L729 HydrophobicContact CB-CB 4.03Å; V626-L729 HydrophobicContact CG1-CB 3.98Å; V626-L729 HydrophobicContact CG1-CD1 3.68Å; V626-L729 HydrophobicContact CG1-CG 4.35Å; V626-L729 PolarHBondContact O-N 3Å; A628-L729 HydrophobicContact CB-CD1 3.98Å; A628-L729 HydrophobicContact CB-CG 4.31Å; L656-L729 HydrophobicContact CD1-CD2 3.64Å; C687-L729 HydrophobicContact CB-CD2 3.91Å; L729-P731 VanDerWaalsContact O-CD 3.26Å; L729-P731 WeakPolarHBondContact O-CD 3.1Å; L729-Y787 HydrophobicContact CD1-CD1 3.94Å; L729-Y787 HydrophobicContact CD1-CE1 3.61Å; L729-Y787 HydrophobicContact CD2-CE1 4.19Å; L729-Y787 HydrophobicContact CG-CE1 4.46Å
730D95.4Very high93.2Very high26 Ų2639.4 Ų39.414%0.13920%0.204CC..  trans-71.1117.2173.2175.726.9000110.8S516 Y518 V732 Q733 Y734S516-D730 WeakPolarHBondContact CA-OD2 3.24Å; S516-D730 WeakPolarHBondContact CB-OD2 3.16Å; S516-D730 PolarHBondContact OG-OD2 3.38Å; Y518-D730 HydrophobicContact CD2-CB 3.85Å; Y518-D730 HydrophobicContact CE2-CB 4.21Å; D730-V732 VanDerWaalsContact C-N 3.27Å; D730-V732 PolarHBondContact O-N 3.07Å; D730-V732 PolarHBondContact OD1-N 2.88Å; D730-Q733 HydrophobicContact CB-CB 3.97Å; D730-Q733 PolarHBondContact O-N 2.77Å; D730-Q733 WeakPolarHBondContact OD2-CB 3.4Å; D730-Q733 PolarHBondContact OD2-N 3.15Å; D730-Y734 WeakPolarHBondContact O-CB 3.14Å; D730-Y734 PolarHBondContact O-N 3.16Å
731P95.5Very high94Very high25 Ų2536.2 Ų36.216%0.16219%0.187CC..Hα-helixtrans-64.6-30.3-177.2-20.733.4000113.9P623 V626 L729 Q735P623-P731 HydrophobicContact CB-CB 4.34Å; P623-P731 WeakPolarHBondContact O-CB 3.24Å; V626-P731 HydrophobicContact CG2-CB 4.29Å; L729-P731 VanDerWaalsContact O-CD 3.26Å; L729-P731 WeakPolarHBondContact O-CD 3.1Å; P731-Q735 WeakPolarHBondContact O-CB 3.27Å; P731-Q735 PolarHBondContact O-N 3Å
732V93.5Very high94.3Very high18 Ų1837.4 Ų37.411%0.10919%0.186CC..Hα-helixtrans-68.8-48.81791760000110.2S514 D730 Q735 T736S514-V732 WeakPolarHBondContact O-CG1 3.32Å; D730-V732 VanDerWaalsContact C-N 3.27Å; D730-V732 PolarHBondContact O-N 3.07Å; D730-V732 PolarHBondContact OD1-N 2.88Å; V732-Q735 PolarHBondContact O-N 2.93Å; V732-T736 PolarHBondContact O-N 3.02Å; V732-T736 PolarHBondContact O-OG1 3.2Å
733Q94.8Very high94.3Very high7 Ų738 Ų383%0.03319%0.192CC..Hα-helixtrans-62.2-44.8176-168.1169.750.300111.1R685 D730 Q735 T736 D737R685-Q733 VanDerWaalsContact CD-OE1 3.31Å; D730-Q733 HydrophobicContact CB-CB 3.97Å; D730-Q733 PolarHBondContact O-N 2.77Å; D730-Q733 WeakPolarHBondContact OD2-CB 3.4Å; D730-Q733 PolarHBondContact OD2-N 3.15Å; Q733-Q735 VanDerWaalsContact C-N 3.33Å; Q733-Q735 PolarHBondContact O-N 2.86Å; Q733-T736 WeakPolarHBondContact O-CB 3.44Å; Q733-T736 PolarHBondContact O-N 3.45Å; Q733-T736 VanDerWaalsContact O-N 3.12Å; Q733-D737 PolarHBondContact O-N 3.09Å
734Y95.9Very high94Very high22 Ų2240.5 Ų40.59%0.08620%0.204CC..Hα-helixtrans-56.9-43.8174.8-179.2-96.3000112.8I610 V613 P623 V626 D730 D737 L738 Y787I610-Y734 HydrophobicContact CD1-CE2 3.74Å; V613-Y734 HydrophobicContact CG1-CE1 4.12Å; V613-Y734 HydrophobicContact CG2-CE1 4.26Å; P623-Y734 HydrophobicContact CG-CD1 4.06Å; P623-Y734 HydrophobicContact CG-CE1 4.36Å; V626-Y734 HydrophobicContact CG1-CD2 4.08Å; V626-Y734 HydrophobicContact CG1-CE2 4.29Å; V626-Y734 HydrophobicContact CG1-CG 4.23Å; V626-Y734 HydrophobicContact CG2-CD1 3.79Å; V626-Y734 HydrophobicContact CG2-CE1 4.31Å; V626-Y734 HydrophobicContact CG2-CG 3.95Å; D730-Y734 WeakPolarHBondContact O-CB 3.14Å; D730-Y734 PolarHBondContact O-N 3.16Å; Y734-D737 PolarHBondContact O-N 3.44Å; Y734-L738 HydrophobicContact CD1-CD1 3.96Å; Y734-L738 HydrophobicContact CD1-CG 4.36Å; Y734-L738 HydrophobicContact CE1-CD1 3.34Å; Y734-L738 HydrophobicContact CE1-CG 3.97Å; Y734-L738 WeakPolarHBondContact O-CG 3.37Å; Y734-L738 PolarHBondContact O-N 3.4Å; Y734-Y787 WeakPolarHBondContact CA-OH 3.45Å; Y734-Y787 HydrophobicContact CD2-CD2 4.19Å; Y734-Y787 AromaticContact CD2-CE1 3.94Å; Y734-Y787 HydrophobicContact CD2-CE1 3.94Å; Y734-Y787 AromaticContact CD2-CE2 3.56Å; Y734-Y787 HydrophobicContact CD2-CE2 3.56Å; Y734-Y787 AromaticContact CD2-CZ 3.45Å; Y734-Y787 VanDerWaalsContact CD2-CZ 3.45Å; Y734-Y787 HydrophobicContact CE2-CD2 4.09Å; Y734-Y787 HydrophobicContact CE2-CE1 4.48Å; Y734-Y787 AromaticContact CE2-CE2 3.92Å; Y734-Y787 HydrophobicContact CE2-CE2 3.92Å; Y734-Y787 HydrophobicContact CE2-CG 4.49Å
735Q94.5Very high93.7Very high36 Ų3645.1 Ų45.117%0.16822%0.224CC..Hα-helixtrans-63.6-42.4176.2-177.65947.300111.8H622 P731 V732 Q733 D737 L738 D739H622-Q735 HydrophobicContact CB-CB 3.64Å; H622-Q735 HydrophobicContact CB-CG 3.95Å; P731-Q735 WeakPolarHBondContact O-CB 3.27Å; P731-Q735 PolarHBondContact O-N 3Å; V732-Q735 PolarHBondContact O-N 2.93Å; Q733-Q735 VanDerWaalsContact C-N 3.33Å; Q733-Q735 PolarHBondContact O-N 2.86Å; Q735-D737 VanDerWaalsContact C-N 3.32Å; Q735-D737 PolarHBondContact O-N 3.35Å; Q735-L738 PolarHBondContact O-N 3.32Å; Q735-D739 VanDerWaalsContact NE2-CG 3.28Å; Q735-D739 PolarHBondContact NE2-OD1 2.88Å; Q735-D739 PolarHBondContact NE2-OD2 3.31Å; Q735-D739 VanDerWaalsContact O-CG 3.27Å; Q735-D739 PolarHBondContact O-N 2.84Å
736T93Very high93.3Very high85 Ų8550.1 Ų50.152%0.52125%0.249SC..Hα-helixtrans-61.8-42.2177.2-54.30000111.3V732 Q733 D739 H740V732-T736 PolarHBondContact O-N 3.02Å; V732-T736 PolarHBondContact O-OG1 3.2Å; Q733-T736 WeakPolarHBondContact O-CB 3.44Å; Q733-T736 PolarHBondContact O-N 3.45Å; Q733-T736 VanDerWaalsContact O-N 3.12Å; T736-D739 PolarHBondContact O-N 2.64Å; T736-H740 WeakPolarHBondContact O-CB 3.39Å; T736-H740 PolarHBondContact O-N 2.68Å
737D94.9Very high93Very high15 Ų1553.7 Ų53.78%0.0826%0.263CS..Hα-helixtrans-63.4-43.7177.2-66.5-31.3000111.6R685 Q733 Y734 Q735 D739 H740 L741 L786 Y787R685-D737 IonicContact CZ-OD1 3.18Å; R685-D737 IonicContact CZ-OD2 3.34Å; R685-D737 IonicContact NE-OD1 2.9Å; R685-D737 PolarHBondContact NE-OD1 3.02Å; R685-D737 IonicContact NE-OD2 2.9Å; R685-D737 PolarHBondContact NE-OD2 3.47Å; R685-D737 IonicContact NH2-OD1 2.58Å; R685-D737 PolarHBondContact NH2-OD1 3.39Å; R685-D737 IonicContact NH2-OD2 3.14Å; Q733-D737 PolarHBondContact O-N 3.09Å; Y734-D737 PolarHBondContact O-N 3.44Å; Q735-D737 VanDerWaalsContact C-N 3.32Å; Q735-D737 PolarHBondContact O-N 3.35Å; D737-D739 VanDerWaalsContact C-N 3.34Å; D737-D739 PolarHBondContact O-N 2.85Å; D737-H740 PolarHBondContact O-N 2.79Å; D737-L741 WeakPolarHBondContact O-CB 3.39Å; D737-L741 PolarHBondContact O-N 2.82Å; D737-L786 HydrophobicContact CB-CD2 3.91Å; D737-Y787 HydrophobicContact CB-CE2 3.86Å; D737-Y787 PolarHBondContact OD2-OH 3.42Å
738L93.1Very high92.5Very high37 Ų3754.5 Ų54.519%0.19427%0.27CS..Hα-helixtrans-64-38.1175-74.1-175.8000112.7Y734 Q735 L741 K742Y734-L738 HydrophobicContact CD1-CD1 3.96Å; Y734-L738 HydrophobicContact CD1-CG 4.36Å; Y734-L738 HydrophobicContact CE1-CD1 3.34Å; Y734-L738 HydrophobicContact CE1-CG 3.97Å; Y734-L738 WeakPolarHBondContact O-CG 3.37Å; Y734-L738 PolarHBondContact O-N 3.4Å; Q735-L738 PolarHBondContact O-N 3.32Å; L738-L741 PolarHBondContact O-N 3.35Å; L738-K742 VanDerWaalsContact O-CG 3.28Å; L738-K742 WeakPolarHBondContact O-CG 3.41Å; L738-K742 PolarHBondContact O-N 3.04Å
739D93.2Very high92.2Very high69 Ų6957.5 Ų57.537%0.36929%0.287SS..Hα-helixtrans-71.4-35.2178.3-68.6-24.3000111.3Q735 T736 D737 K742 T743Q735-D739 VanDerWaalsContact NE2-CG 3.28Å; Q735-D739 PolarHBondContact NE2-OD1 2.88Å; Q735-D739 PolarHBondContact NE2-OD2 3.31Å; Q735-D739 VanDerWaalsContact O-CG 3.27Å; Q735-D739 PolarHBondContact O-N 2.84Å; T736-D739 PolarHBondContact O-N 2.64Å; D737-D739 VanDerWaalsContact C-N 3.34Å; D737-D739 PolarHBondContact O-N 2.85Å; D739-K742 IonicContact OD1-NZ 3.69Å; D739-T743 WeakPolarHBondContact O-CB 3.42Å; D739-T743 PolarHBondContact O-N 3.06Å; D739-T743 PolarHBondContact O-OG1 2.96Å
740H90.9Very high91.8Very high114 Ų11460.8 Ų60.853%0.52831%0.307SS..Hα-helixtrans-62.9-47.3169.8-176.6-91.8000111.4T736 D737 K742 T743 E744T736-H740 WeakPolarHBondContact O-CB 3.39Å; T736-H740 PolarHBondContact O-N 2.68Å; D737-H740 PolarHBondContact O-N 2.79Å; H740-K742 PolarHBondContact O-N 2.92Å; H740-T743 WeakPolarHBondContact O-CB 3.44Å; H740-T743 PolarHBondContact O-N 2.73Å; H740-T743 VanDerWaalsContact O-N 3.12Å; H740-E744 PolarHBondContact O-N 3.1Å
741L92.5Very high91.6Very high23 Ų2360.2 Ų60.212%0.1230%0.304CS..Hα-helixtrans-58-46.6177178.960.4000112.1D737 L738 T743 E744 Q745 P783 E784 D785D737-L741 WeakPolarHBondContact O-CB 3.39Å; D737-L741 PolarHBondContact O-N 2.82Å; L738-L741 PolarHBondContact O-N 3.35Å; L741-T743 VanDerWaalsContact C-N 3.32Å; L741-T743 PolarHBondContact O-N 3.37Å; L741-E744 PolarHBondContact O-N 2.89Å; L741-Q745 HydrophobicContact CD1-CG 4.48Å; L741-Q745 WeakPolarHBondContact O-CB 3.21Å; L741-Q745 VanDerWaalsContact O-CG 3.31Å; L741-Q745 WeakPolarHBondContact O-CG 3.16Å; L741-Q745 PolarHBondContact O-N 3.24Å; L741-P783 HydrophobicContact CD1-CB 4.09Å; L741-E784 WeakPolarHBondContact CD1-O 3.45Å; L741-D785 HydrophobicContact CD2-CB 4.13Å
742K91.5Very high91.4Very high96 Ų9665.3 Ų65.342%0.41732%0.32SS..Hα-helixtrans-62.1-39.9175.5-72.2168.9-168.1161.30112L738 D739 H740 Q745 M746L738-K742 VanDerWaalsContact O-CG 3.28Å; L738-K742 WeakPolarHBondContact O-CG 3.41Å; L738-K742 PolarHBondContact O-N 3.04Å; D739-K742 IonicContact OD1-NZ 3.69Å; H740-K742 PolarHBondContact O-N 2.92Å; K742-Q745 PolarHBondContact O-N 3.27Å; K742-M746 WeakPolarHBondContact O-CB 3.48Å; K742-M746 WeakPolarHBondContact O-CG 3.4Å; K742-M746 PolarHBondContact O-N 3.01Å
743T89.8Confident91.3Very high88 Ų8867.8 Ų67.854%0.5434%0.338SS..Hα-helixtrans-63-44.3178.8-59.70000110.8D739 H740 L741 M746 R747D739-T743 WeakPolarHBondContact O-CB 3.42Å; D739-T743 PolarHBondContact O-N 3.06Å; D739-T743 PolarHBondContact O-OG1 2.96Å; H740-T743 WeakPolarHBondContact O-CB 3.44Å; H740-T743 PolarHBondContact O-N 2.73Å; H740-T743 VanDerWaalsContact O-N 3.12Å; L741-T743 VanDerWaalsContact C-N 3.32Å; L741-T743 PolarHBondContact O-N 3.37Å; T743-M746 PolarHBondContact O-N 3.3Å; T743-R747 PolarHBondContact O-N 3.21Å
744E87.1Confident91.1Very high55 Ų5572.9 Ų72.926%0.25736%0.36SS..Hα-helixtrans-67.8-39176-70.3-55.6112.400112.2H740 L741 M746 R747 P783H740-E744 PolarHBondContact O-N 3.1Å; L741-E744 PolarHBondContact O-N 2.89Å; E744-M746 VanDerWaalsContact C-N 3.31Å; E744-M746 PolarHBondContact O-N 2.92Å; E744-R747 VanDerWaalsContact O-CB 3.25Å; E744-R747 WeakPolarHBondContact O-CB 3.32Å; E744-R747 PolarHBondContact O-N 3.06Å; E744-R747 IonicContact OE1-NH1 2.7Å; E744-R747 WeakPolarHBondContact OE2-CD 3.4Å; E744-R747 IonicContact OE2-CZ 3.31Å; E744-R747 IonicContact OE2-NH1 3.89Å; E744-R747 PolarHBondContact OE2-NH1 3.37Å; E744-P783 HydrophobicContact CB-CB 4.01Å
745Q88.7Confident90.8Very high116 Ų11672.1 Ų72.154%0.54236%0.358SS..Hα-helixtrans-60.9-37.3173.3-75.1174.3-5.800113L741 K742 P783L741-Q745 HydrophobicContact CD1-CG 4.48Å; L741-Q745 WeakPolarHBondContact O-CB 3.21Å; L741-Q745 VanDerWaalsContact O-CG 3.31Å; L741-Q745 WeakPolarHBondContact O-CG 3.16Å; L741-Q745 PolarHBondContact O-N 3.24Å; K742-Q745 PolarHBondContact O-N 3.27Å; Q745-P783 HydrophobicContact CB-CG 4.3Å; Q745-P783 HydrophobicContact CG-CB 4.24Å; Q745-P783 HydrophobicContact CG-CG 3.45Å; Q745-P783 VanDerWaalsContact CG-CG 3.45Å
746M88.5Confident90.6Very high108 Ų10874.6 Ų74.653%0.53237%0.371SS..Hα-helixtrans-86.6-8.1178.8-67.3-177.1-178.700113.7K742 T743 E744 A748 E749 V750K742-M746 WeakPolarHBondContact O-CB 3.48Å; K742-M746 WeakPolarHBondContact O-CG 3.4Å; K742-M746 PolarHBondContact O-N 3.01Å; T743-M746 PolarHBondContact O-N 3.3Å; E744-M746 VanDerWaalsContact C-N 3.31Å; E744-M746 PolarHBondContact O-N 2.92Å; M746-A748 PolarHBondContact O-N 3.48Å; M746-E749 PolarHBondContact O-N 3.02Å; M746-E749 VanDerWaalsContact O-N 3.13Å; M746-V750 WeakPolarHBondContact O-CG2 3.31Å; M746-V750 PolarHBondContact O-N 2.96Å
747R89.4Confident90.4Very high109 Ų10978 Ų7841%0.41137%0.374SS..Hα-helixtrans-56.9-46.8-171.6-176.9175.5172.7175-3.4112.6T743 E744 E749 V750 L751 A778T743-R747 PolarHBondContact O-N 3.21Å; E744-R747 VanDerWaalsContact O-CB 3.25Å; E744-R747 WeakPolarHBondContact O-CB 3.32Å; E744-R747 PolarHBondContact O-N 3.06Å; E744-R747 IonicContact OE1-NH1 2.7Å; E744-R747 WeakPolarHBondContact OE2-CD 3.4Å; E744-R747 IonicContact OE2-CZ 3.31Å; E744-R747 IonicContact OE2-NH1 3.89Å; E744-R747 PolarHBondContact OE2-NH1 3.37Å; R747-E749 PolarHBondContact O-N 3.41Å; R747-V750 PolarHBondContact O-N 2.86Å; R747-L751 HydrophobicContact CG-CD1 4.08Å; R747-L751 WeakPolarHBondContact O-CB 3.24Å; R747-L751 VanDerWaalsContact O-CG 3.31Å; R747-L751 WeakPolarHBondContact O-CG 3.35Å; R747-L751 PolarHBondContact O-N 2.93Å; R747-A778 HydrophobicContact CG-CB 4.2Å
748A87.5Confident90.1Very high19 Ų1977.3 Ų77.316%0.15737%0.371CS..Hα-helixtrans-61.8-42.4178.200000112.1M746 L751 R752 A778 E779M746-A748 PolarHBondContact O-N 3.48Å; A748-L751 PolarHBondContact O-N 3.27Å; A748-R752 VanDerWaalsContact O-CG 3.3Å; A748-R752 WeakPolarHBondContact O-CG 3.47Å; A748-R752 PolarHBondContact O-N 3.44Å; A748-A778 HydrophobicContact CB-CB 4.16Å; A748-E779 HydrophobicContact CB-CG 3.78Å
749E89.6Confident90Very high133 Ų13380.9 Ų80.962%0.62139%0.385SS*.Hα-helixtrans-66.1-42178.9-172.5179.2177.800112.4M746 R747 R752 S753M746-E749 PolarHBondContact O-N 3.02Å; M746-E749 VanDerWaalsContact O-N 3.13Å; R747-E749 PolarHBondContact O-N 3.41Å; E749-R752 PolarHBondContact O-N 3.31Å; E749-S753 PolarHBondContact O-N 3.08Å; E749-S753 PolarHBondContact O-OG 2.87Å; E749-S753 VanDerWaalsContact O-OG 3.12Å
750V89.3Confident89.6Confident75 Ų7587.7 Ų87.746%0.45541%0.406SS..Hα-helixtrans-64.6-42.4176.1173.20000110.9M746 R747 S753 K754M746-V750 WeakPolarHBondContact O-CG2 3.31Å; M746-V750 PolarHBondContact O-N 2.96Å; R747-V750 PolarHBondContact O-N 2.86Å; V750-S753 WeakPolarHBondContact O-CB 3.47Å; V750-S753 PolarHBondContact O-N 3.02Å; V750-K754 PolarHBondContact O-N 2.96Å
751L91Very high89.4Confident15 Ų1586.6 Ų86.68%0.07940%0.4CS..Hα-helixtrans-65.3-41.4176.7-73.9170.9000111.7R747 A748 S753 K754 V755 Q774 V775 A778R747-L751 HydrophobicContact CG-CD1 4.08Å; R747-L751 WeakPolarHBondContact O-CB 3.24Å; R747-L751 VanDerWaalsContact O-CG 3.31Å; R747-L751 WeakPolarHBondContact O-CG 3.35Å; R747-L751 PolarHBondContact O-N 2.93Å; A748-L751 PolarHBondContact O-N 3.27Å; L751-S753 VanDerWaalsContact C-N 3.28Å; L751-S753 PolarHBondContact O-N 3.42Å; L751-K754 HydrophobicContact CD2-CD 4.21Å; L751-K754 WeakPolarHBondContact O-CA 3.49Å; L751-K754 WeakPolarHBondContact O-CB 3.49Å; L751-K754 PolarHBondContact O-N 3.47Å; L751-V755 WeakPolarHBondContact O-CG2 3.26Å; L751-V755 PolarHBondContact O-N 3.29Å; L751-Q774 HydrophobicContact CD1-CB 4.18Å; L751-Q774 HydrophobicContact CD2-CB 4.5Å; L751-V775 HydrophobicContact CB-CG2 3.5Å; L751-A778 HydrophobicContact CD1-CB 3.91Å
752R91.5Very high88.9Confident131 Ų13188.7 Ų88.749%0.49443%0.428SS..Hα-helixtrans-56.9-43172.5-76.1174.8176-145.51.8111.7A748 E749 K754 V755 I756 V775 E779A748-R752 VanDerWaalsContact O-CG 3.3Å; A748-R752 WeakPolarHBondContact O-CG 3.47Å; A748-R752 PolarHBondContact O-N 3.44Å; E749-R752 PolarHBondContact O-N 3.31Å; R752-K754 VanDerWaalsContact C-N 3.34Å; R752-K754 PolarHBondContact O-N 3.47Å; R752-V755 WeakPolarHBondContact O-CB 3.2Å; R752-V755 PolarHBondContact O-N 3.1Å; R752-I756 WeakPolarHBondContact O-CG1 3.47Å; R752-I756 PolarHBondContact O-N 3.4Å; R752-V775 HydrophobicContact CG-CG1 3.68Å; R752-V775 HydrophobicContact CG-CG2 4.19Å; R752-E779 IonicContact CZ-OE1 3.27Å; R752-E779 IonicContact NE-OE1 2.85Å; R752-E779 PolarHBondContact NE-OE1 3.33Å; R752-E779 IonicContact NH2-OE1 3.82Å; R752-E779 PolarHBondContact NH2-OE1 2.89Å; R752-E779 IonicContact NH2-OE2 2.73Å; R752-E779 PolarHBondContact NH2-OE2 2.87Å
753S90.6Very high88.6Confident70 Ų7089.2 Ų89.249%0.4943%0.427SS..Hα-helixtrans-63.4-38.5175.8-63.20000112.4E749 V750 L751 I756 R757E749-S753 PolarHBondContact O-N 3.08Å; E749-S753 PolarHBondContact O-OG 2.87Å; E749-S753 VanDerWaalsContact O-OG 3.12Å; V750-S753 WeakPolarHBondContact O-CB 3.47Å; V750-S753 PolarHBondContact O-N 3.02Å; L751-S753 VanDerWaalsContact C-N 3.28Å; L751-S753 PolarHBondContact O-N 3.42Å; S753-I756 PolarHBondContact O-N 2.85Å; S753-R757 WeakPolarHBondContact O-CB 3.29Å; S753-R757 PolarHBondContact O-N 2.92Å
754K89.9Confident88.4Confident114 Ų11488.6 Ų88.650%0.49642%0.423SS..Hα-helixtrans-63.8-41.2172.6-71.6177.5-179.6175.80112.2V750 L751 R752 R757 A758V750-K754 PolarHBondContact O-N 2.96Å; L751-K754 HydrophobicContact CD2-CD 4.21Å; L751-K754 WeakPolarHBondContact O-CA 3.49Å; L751-K754 WeakPolarHBondContact O-CB 3.49Å; L751-K754 PolarHBondContact O-N 3.47Å; R752-K754 VanDerWaalsContact C-N 3.34Å; R752-K754 PolarHBondContact O-N 3.47Å; K754-R757 PolarHBondContact O-N 3Å; K754-A758 WeakPolarHBondContact O-CB 3.37Å; K754-A758 PolarHBondContact O-N 3.31Å
755V90.1Very high88.3Confident7 Ų791.6 Ų91.64%0.04245%0.446CS..Hα-helixtrans-61.1-46.7175.21720000110.9L751 R752 R757 A758 K759 L771 V775L751-V755 WeakPolarHBondContact O-CG2 3.26Å; L751-V755 PolarHBondContact O-N 3.29Å; R752-V755 WeakPolarHBondContact O-CB 3.2Å; R752-V755 PolarHBondContact O-N 3.1Å; V755-R757 VanDerWaalsContact C-N 3.27Å; V755-R757 PolarHBondContact O-N 2.77Å; V755-A758 PolarHBondContact O-N 2.94Å; V755-K759 HydrophobicContact CG1-CD 4.12Å; V755-K759 WeakPolarHBondContact O-CG 3.43Å; V755-K759 PolarHBondContact O-N 3.35Å; V755-L771 HydrophobicContact CG2-CB 3.64Å; V755-V775 HydrophobicContact CG2-CG2 3.95Å
756I91Very high88.1Confident88 Ų8893.3 Ų93.345%0.45145%0.454SS..Hα-helixtrans-58.9-42.8177.1-67.6166.7000110.4R752 S753 K759 R760R752-I756 WeakPolarHBondContact O-CG1 3.47Å; R752-I756 PolarHBondContact O-N 3.4Å; S753-I756 PolarHBondContact O-N 2.85Å; I756-K759 PolarHBondContact O-N 3.2Å; I756-R760 WeakPolarHBondContact O-CG 3.49Å; I756-R760 PolarHBondContact O-N 2.77Å; I756-R760 VanDerWaalsContact O-N 3.11Å
757R88.8Confident87.9Confident155 Ų15592.5 Ų92.559%0.58545%0.448SS*.Hα-helixtrans-65.6-45.6177.5-176.7176.3172178.3-2.2112.4S753 K754 V755 K759 R760 E761S753-R757 WeakPolarHBondContact O-CB 3.29Å; S753-R757 PolarHBondContact O-N 2.92Å; K754-R757 PolarHBondContact O-N 3Å; V755-R757 VanDerWaalsContact C-N 3.27Å; V755-R757 PolarHBondContact O-N 2.77Å; R757-K759 VanDerWaalsContact C-N 3.3Å; R757-K759 PolarHBondContact O-N 2.98Å; R757-R760 PolarHBondContact O-N 2.88Å; R757-R760 VanDerWaalsContact O-N 3.11Å; R757-E761 HydrophobicContact CG-CG 4.38Å; R757-E761 IonicContact CZ-OE1 3.91Å; R757-E761 IonicContact NE-OE1 3.62Å; R757-E761 PolarHBondContact NE-OE1 3.44Å; R757-E761 IonicContact NH2-OE1 2.62Å; R757-E761 PolarHBondContact NH2-OE1 3.25Å; R757-E761 VanDerWaalsContact NH2-OE1 3.17Å; R757-E761 WeakPolarHBondContact O-CG 3.43Å; R757-E761 PolarHBondContact O-N 2.87Å
758A88Confident87.8Confident1 Ų188.6 Ų88.61%0.00844%0.436CS..Hα-helixtrans-60.7-39177.400000112.1K754 V755 E761 G762 R763 I768 L771K754-A758 WeakPolarHBondContact O-CB 3.37Å; K754-A758 PolarHBondContact O-N 3.31Å; V755-A758 PolarHBondContact O-N 2.94Å; A758-E761 PolarHBondContact O-N 3.26Å; A758-G762 PolarHBondContact O-N 3.36Å; A758-R763 HydrophobicContact CB-CG 4.4Å; A758-R763 PolarHBondContact O-N 3.03Å; A758-I768 HydrophobicContact CB-CG1 4.09Å; A758-L771 HydrophobicContact CB-CD1 3.76Å
759K90.2Very high87.9Confident112 Ų11294.5 Ų94.549%0.48746%0.46SS..Hα-helixtrans-62.8-39.5173.2-73.7175.3-177.7172.70112.5V755 I756 R757 I768V755-K759 HydrophobicContact CG1-CD 4.12Å; V755-K759 WeakPolarHBondContact O-CG 3.43Å; V755-K759 PolarHBondContact O-N 3.35Å; I756-K759 PolarHBondContact O-N 3.2Å; R757-K759 VanDerWaalsContact C-N 3.3Å; R757-K759 PolarHBondContact O-N 2.98Å; K759-I768 HydrophobicContact CD-CG2 4.39Å; K759-I768 HydrophobicContact CG-CD1 4.04Å; K759-I768 HydrophobicContact CG-CG1 4.44Å; K759-I768 HydrophobicContact CG-CG2 3.9Å
760R85.6Confident87.9Confident213 Ų21390.7 Ų90.780%0.80445%0.451SS*.Hα-helixtrans-71.6-35.1176.5-72.3177.1-177.5178.22113.2I756 R757 G762I756-R760 WeakPolarHBondContact O-CG 3.49Å; I756-R760 PolarHBondContact O-N 2.77Å; I756-R760 VanDerWaalsContact O-N 3.11Å; R757-R760 PolarHBondContact O-N 2.88Å; R757-R760 VanDerWaalsContact O-N 3.11Å; R760-G762 PolarHBondContact O-N 3.15Å
761E86.2Confident87.9Confident90 Ų9088.6 Ų88.642%0.42144%0.437SS..THydrogen-bonded Turntrans-76.7-6.1179.8-72.8176.2177.800113.1R757 A758 R763R757-E761 HydrophobicContact CG-CG 4.38Å; R757-E761 IonicContact CZ-OE1 3.91Å; R757-E761 IonicContact NE-OE1 3.62Å; R757-E761 PolarHBondContact NE-OE1 3.44Å; R757-E761 IonicContact NH2-OE1 2.62Å; R757-E761 PolarHBondContact NH2-OE1 3.25Å; R757-E761 VanDerWaalsContact NH2-OE1 3.17Å; R757-E761 WeakPolarHBondContact O-CG 3.43Å; R757-E761 PolarHBondContact O-N 2.87Å; A758-E761 PolarHBondContact O-N 3.26Å; E761-R763 VanDerWaalsContact C-N 3.32Å; E761-R763 HydrophobicContact CB-CG 4.13Å; E761-R763 PolarHBondContact O-N 3.41Å; E761-R763 IonicContact OE2-CZ 3.86Å; E761-R763 VanDerWaalsContact OE2-CZ 3.25Å; E761-R763 IonicContact OE2-NE 3.3Å; E761-R763 PolarHBondContact OE2-NE 3.11Å; E761-R763 IonicContact OE2-NH2 2.87Å; E761-R763 PolarHBondContact OE2-NH2 3.33Å
762G82.8Confident87.9Confident67 Ų6791.5 Ų91.569%0.69145%0.45SS*.THydrogen-bonded Turntrans68.130.3179.800000113.5A758 R760A758-G762 PolarHBondContact O-N 3.36Å; R760-G762 PolarHBondContact O-N 3.15Å
763R84.2Confident87.9Confident108 Ų10888.8 Ų88.841%0.40845%0.451SS..  trans-64.1164.1175.7-60-160.8-164.6-174.8-2.5111.4A758 E761 E767A758-R763 HydrophobicContact CB-CG 4.4Å; A758-R763 PolarHBondContact O-N 3.03Å; E761-R763 VanDerWaalsContact C-N 3.32Å; E761-R763 HydrophobicContact CB-CG 4.13Å; E761-R763 PolarHBondContact O-N 3.41Å; E761-R763 IonicContact OE2-CZ 3.86Å; E761-R763 VanDerWaalsContact OE2-CZ 3.25Å; E761-R763 IonicContact OE2-NE 3.3Å; E761-R763 PolarHBondContact OE2-NE 3.11Å; E761-R763 IonicContact OE2-NH2 2.87Å; E761-R763 PolarHBondContact OE2-NH2 3.33Å; R763-E767 WeakPolarHBondContact CD-OE2 3.38Å
764T85.4Confident87.8Confident75 Ų7589.8 Ų89.846%0.4645%0.448SS..  trans-58.7149.2-178.263.20000111.3E766 E767 I768T764-E766 PolarHBondContact O-N 2.8Å; T764-E767 PolarHBondContact O-N 3.12Å; T764-E767 WeakPolarHBondContact OG1-CB 3.36Å; T764-E767 VanDerWaalsContact OG1-CG 3.24Å; T764-E767 WeakPolarHBondContact OG1-CG 3.45Å; T764-E767 PolarHBondContact OG1-N 2.78Å; T764-I768 WeakPolarHBondContact O-CG1 3.21Å; T764-I768 PolarHBondContact O-N 3.28Å; T764-I768 VanDerWaalsContact O-N 3.14Å
765T85.2Confident87.8Confident118 Ų11884.6 Ų84.672%0.72443%0.426SS*.Hα-helixtrans-59.1-35.117844.80000111.9I768 Q769T765-I768 PolarHBondContact O-N 3.47Å; T765-Q769 WeakPolarHBondContact O-CB 3.38Å; T765-Q769 PolarHBondContact O-N 2.81Å
766E85.1Confident87.8Confident152 Ų15288.1 Ų88.171%0.7145%0.445SS*.Hα-helixtrans-62.8-46.4176.1-65.7176.2-177.400112.1T764 I768 Q769 A770T764-E766 PolarHBondContact O-N 2.8Å; E766-I768 VanDerWaalsContact C-N 3.34Å; E766-I768 PolarHBondContact O-N 3.25Å; E766-Q769 PolarHBondContact O-N 3.24Å; E766-A770 WeakPolarHBondContact O-CB 3.42Å; E766-A770 PolarHBondContact O-N 3.28Å
767E84.5Confident87.8Confident90 Ų9089.3 Ų89.342%0.42145%0.448SS..Hα-helixtrans-63-40.9176.7-78.1177.6-155.700112.1R763 T764 Q769 A770 L771R763-E767 WeakPolarHBondContact CD-OE2 3.38Å; T764-E767 PolarHBondContact O-N 3.12Å; T764-E767 WeakPolarHBondContact OG1-CB 3.36Å; T764-E767 VanDerWaalsContact OG1-CG 3.24Å; T764-E767 WeakPolarHBondContact OG1-CG 3.45Å; T764-E767 PolarHBondContact OG1-N 2.78Å; E767-Q769 VanDerWaalsContact C-N 3.35Å; E767-A770 PolarHBondContact O-N 3.04Å; E767-L771 WeakPolarHBondContact O-CG 3.35Å; E767-L771 PolarHBondContact O-N 2.99Å
768I86.5Confident87.6Confident28 Ų2882.7 Ų82.714%0.14443%0.426CS..Hα-helixtrans-65.1-42.3177.5-65.6167.2000110.1A758 K759 T764 T765 E766 L771 Q772A758-I768 HydrophobicContact CB-CG1 4.09Å; K759-I768 HydrophobicContact CD-CG2 4.39Å; K759-I768 HydrophobicContact CG-CD1 4.04Å; K759-I768 HydrophobicContact CG-CG1 4.44Å; K759-I768 HydrophobicContact CG-CG2 3.9Å; T764-I768 WeakPolarHBondContact O-CG1 3.21Å; T764-I768 PolarHBondContact O-N 3.28Å; T764-I768 VanDerWaalsContact O-N 3.14Å; T765-I768 PolarHBondContact O-N 3.47Å; E766-I768 VanDerWaalsContact C-N 3.34Å; E766-I768 PolarHBondContact O-N 3.25Å; I768-L771 PolarHBondContact O-N 3.41Å; I768-Q772 WeakPolarHBondContact O-CB 3.11Å; I768-Q772 PolarHBondContact O-N 2.62Å
769Q89.6Confident87.6Confident143 Ų14386.9 Ų86.967%0.66845%0.446SS*.Hα-helixtrans-66.7-39.9178.2-171.9174.24.300112T765 E766 E767 Q772 S773T765-Q769 WeakPolarHBondContact O-CB 3.38Å; T765-Q769 PolarHBondContact O-N 2.81Å; E766-Q769 PolarHBondContact O-N 3.24Å; E767-Q769 VanDerWaalsContact C-N 3.35Å; Q769-Q772 WeakPolarHBondContact O-CB 3.48Å; Q769-Q772 PolarHBondContact O-N 3.5Å; Q769-S773 PolarHBondContact O-N 2.93Å
770A89.4Confident87.3Confident52 Ų5289.4 Ų89.443%0.4346%0.459SS..Hα-helixtrans-61.2-44.3174.300000111.8E766 E767 Q772 S773 Q774E766-A770 WeakPolarHBondContact O-CB 3.42Å; E766-A770 PolarHBondContact O-N 3.28Å; E767-A770 PolarHBondContact O-N 3.04Å; A770-Q772 VanDerWaalsContact C-N 3.34Å; A770-Q772 PolarHBondContact O-N 3.43Å; A770-S773 PolarHBondContact O-N 3.1Å; A770-Q774 WeakPolarHBondContact O-CG 3.24Å; A770-Q774 PolarHBondContact O-N 3.01Å; A770-Q774 VanDerWaalsContact O-N 3.16Å
771L89.8Confident87.1Confident31 Ų3183.5 Ų83.516%0.16245%0.447CS..Hα-helixtrans-64.7-38174.4-72.3171.7000112.4V755 A758 E767 I768 Q774 V775V755-L771 HydrophobicContact CG2-CB 3.64Å; A758-L771 HydrophobicContact CB-CD1 3.76Å; E767-L771 WeakPolarHBondContact O-CG 3.35Å; E767-L771 PolarHBondContact O-N 2.99Å; I768-L771 PolarHBondContact O-N 3.41Å; L771-Q774 PolarHBondContact O-N 3.13Å; L771-V775 WeakPolarHBondContact O-CG2 3.45Å; L771-V775 PolarHBondContact O-N 3.19Å; L771-V775 VanDerWaalsContact O-N 3.16Å
772Q90.8Very high86.8Confident77 Ų7784.3 Ų84.336%0.3646%0.462SS..Hα-helixtrans-63.4-42.5176.6-161.89535.500110.6I768 Q769 A770 Q774 V775 D776I768-Q772 WeakPolarHBondContact O-CB 3.11Å; I768-Q772 PolarHBondContact O-N 2.62Å; Q769-Q772 WeakPolarHBondContact O-CB 3.48Å; Q769-Q772 PolarHBondContact O-N 3.5Å; A770-Q772 VanDerWaalsContact C-N 3.34Å; A770-Q772 PolarHBondContact O-N 3.43Å; Q772-Q774 VanDerWaalsContact C-N 3.31Å; Q772-Q774 PolarHBondContact O-N 2.94Å; Q772-V775 WeakPolarHBondContact O-CB 3.42Å; Q772-V775 PolarHBondContact O-N 3.11Å; Q772-V775 VanDerWaalsContact O-N 3.12Å; Q772-D776 PolarHBondContact O-N 3.32Å; Q772-D776 VanDerWaalsContact O-N 3.11Å
773S91.6Very high86.9Confident73 Ų7383.5 Ų83.551%0.5145%0.445SS..Hα-helixtrans-60.9-37.3174.7-170.70000112.8Q769 A770 V775 D776 E777Q769-S773 PolarHBondContact O-N 2.93Å; A770-S773 PolarHBondContact O-N 3.1Å; S773-V775 VanDerWaalsContact C-N 3.33Å; S773-D776 PolarHBondContact O-N 3.35Å; S773-E777 PolarHBondContact O-N 3.4Å; S773-E777 VanDerWaalsContact O-N 3.07Å
774Q89.2Confident87.1Confident92 Ų9282.6 Ų82.643%0.4345%0.446SS..Hα-helixtrans-68.1-31.9175.6-70.2177.92.500112.7L751 A770 L771 Q772 A778L751-Q774 HydrophobicContact CD1-CB 4.18Å; L751-Q774 HydrophobicContact CD2-CB 4.5Å; A770-Q774 WeakPolarHBondContact O-CG 3.24Å; A770-Q774 PolarHBondContact O-N 3.01Å; A770-Q774 VanDerWaalsContact O-N 3.16Å; L771-Q774 PolarHBondContact O-N 3.13Å; Q772-Q774 VanDerWaalsContact C-N 3.31Å; Q772-Q774 PolarHBondContact O-N 2.94Å; Q774-A778 WeakPolarHBondContact O-CB 3.43Å; Q774-A778 PolarHBondContact O-N 3.35Å
775V90.3Very high87.4Confident4 Ų481.3 Ų81.32%0.02444%0.436CS..Hα-helixtrans-65.1-48173.3172.10000109.9L751 R752 V755 L771 Q772 S773 E777 A778 E779L751-V775 HydrophobicContact CB-CG2 3.5Å; R752-V775 HydrophobicContact CG-CG1 3.68Å; R752-V775 HydrophobicContact CG-CG2 4.19Å; V755-V775 HydrophobicContact CG2-CG2 3.95Å; L771-V775 WeakPolarHBondContact O-CG2 3.45Å; L771-V775 PolarHBondContact O-N 3.19Å; L771-V775 VanDerWaalsContact O-N 3.16Å; Q772-V775 WeakPolarHBondContact O-CB 3.42Å; Q772-V775 PolarHBondContact O-N 3.11Å; Q772-V775 VanDerWaalsContact O-N 3.12Å; S773-V775 VanDerWaalsContact C-N 3.33Å; V775-E777 VanDerWaalsContact C-N 3.29Å; V775-E777 PolarHBondContact O-N 3.22Å; V775-A778 PolarHBondContact O-N 2.56Å; V775-A778 VanDerWaalsContact O-N 3.17Å; V775-E779 HydrophobicContact CG1-CG 4.49Å; V775-E779 WeakPolarHBondContact CG1-OE1 3.47Å; V775-E779 WeakPolarHBondContact O-CG 3.08Å; V775-E779 PolarHBondContact O-N 2.64Å
776D89.7Confident87.8Confident82 Ų8276.4 Ų76.444%0.43941%0.405SS..Hα-helixtrans-61.6-39.3-179.4-62.1-23.5000111.4Q772 S773 E779 Q780Q772-D776 PolarHBondContact O-N 3.32Å; Q772-D776 VanDerWaalsContact O-N 3.11Å; S773-D776 PolarHBondContact O-N 3.35Å; D776-E779 PolarHBondContact O-N 2.99Å; D776-Q780 WeakPolarHBondContact O-CG 3.35Å; D776-Q780 PolarHBondContact O-N 3.47Å
777E90.2Very high88.3Confident112 Ų11269.3 Ų69.352%0.52337%0.372SS..Hα-helixtrans-62.8-47.8173.1-174.1-173.3172.600111.8S773 V775 E779 Q780S773-E777 PolarHBondContact O-N 3.4Å; S773-E777 VanDerWaalsContact O-N 3.07Å; V775-E777 VanDerWaalsContact C-N 3.29Å; V775-E777 PolarHBondContact O-N 3.22Å; E777-E779 VanDerWaalsContact C-N 3.26Å; E777-E779 PolarHBondContact O-N 3.39Å; E777-Q780 PolarHBondContact O-N 2.85Å
778A85.9Confident88.7Confident16 Ų1671.6 Ų71.613%0.13239%0.387CS..Hα-helixtrans-65-28.2-179.700000113.2R747 A748 L751 Q774 V775R747-A778 HydrophobicContact CG-CB 4.2Å; A748-A778 HydrophobicContact CB-CB 4.16Å; L751-A778 HydrophobicContact CD1-CB 3.91Å; Q774-A778 WeakPolarHBondContact O-CB 3.43Å; Q774-A778 PolarHBondContact O-N 3.35Å; V775-A778 PolarHBondContact O-N 2.56Å; V775-A778 VanDerWaalsContact O-N 3.17Å
779E87.3Confident89.1Confident89 Ų8971.1 Ų71.142%0.41639%0.385SS..Hα-helixtrans-78.4-23.4177.1-74.8175.9-157.800113.7A748 R752 V775 D776 E777 V781A748-E779 HydrophobicContact CB-CG 3.78Å; R752-E779 IonicContact CZ-OE1 3.27Å; R752-E779 IonicContact NE-OE1 2.85Å; R752-E779 PolarHBondContact NE-OE1 3.33Å; R752-E779 IonicContact NH2-OE1 3.82Å; R752-E779 PolarHBondContact NH2-OE1 2.89Å; R752-E779 IonicContact NH2-OE2 2.73Å; R752-E779 PolarHBondContact NH2-OE2 2.87Å; V775-E779 HydrophobicContact CG1-CG 4.49Å; V775-E779 WeakPolarHBondContact CG1-OE1 3.47Å; V775-E779 WeakPolarHBondContact O-CG 3.08Å; V775-E779 PolarHBondContact O-N 2.64Å; D776-E779 PolarHBondContact O-N 2.99Å; E777-E779 VanDerWaalsContact C-N 3.26Å; E777-E779 PolarHBondContact O-N 3.39Å; E779-V781 VanDerWaalsContact C-N 3.32Å
780Q84.9Confident89.4Confident165 Ų16564.9 Ų64.977%0.77136%0.356SS*.Hα-helixtrans-75.2-24.1175.4-73177.819.100112.6D776 E777D776-Q780 WeakPolarHBondContact O-CG 3.35Å; D776-Q780 PolarHBondContact O-N 3.47Å; E777-Q780 PolarHBondContact O-N 2.85Å
781V79.9Confident89.8Confident90 Ų9064.1 Ų64.155%0.54534%0.344SS..  trans-87.9113.6-179.2-178.30000109.4E779 P783E779-V781 VanDerWaalsContact C-N 3.32Å; V781-P783 WeakPolarHBondContact O-CD 3.22Å
782S81.3Confident90.2Very high106 Ų10662.6 Ų62.674%0.74134%0.337SS*.  trans-84.1107.7167.758.40000109.5E784S782-E784 PolarHBondContact O-N 3.13Å
783P84.4Confident90.5Very high50 Ų5059 Ų5933%0.32532%0.32SS..PPolyproline II helixtrans-68.2124.2179.228.5-34.7000110.2L741 E744 Q745 V781L741-P783 HydrophobicContact CD1-CB 4.09Å; E744-P783 HydrophobicContact CB-CB 4.01Å; Q745-P783 HydrophobicContact CB-CG 4.3Å; Q745-P783 HydrophobicContact CG-CB 4.24Å; Q745-P783 HydrophobicContact CG-CG 3.45Å; Q745-P783 VanDerWaalsContact CG-CG 3.45Å; V781-P783 WeakPolarHBondContact O-CD 3.22Å
784E87.9Confident90.8Very high90 Ų9055.6 Ų55.642%0.42130%0.296SS..PPolyproline II helixtrans-98.3154.2177.966.5-171.4162.700111.2R660 L741 S782 T789R660-E784 IonicContact CZ-OE1 2.77Å; R660-E784 IonicContact CZ-OE2 3Å; R660-E784 IonicContact NH1-OE1 2.98Å; R660-E784 PolarHBondContact NH1-OE1 3.22Å; R660-E784 IonicContact NH1-OE2 3.55Å; R660-E784 IonicContact NH2-OE1 3.86Å; R660-E784 PolarHBondContact NH2-OE1 2.86Å; R660-E784 IonicContact NH2-OE2 3.85Å; R660-E784 PolarHBondContact NH2-OE2 3.4Å; L741-E784 WeakPolarHBondContact CD1-O 3.45Å; S782-E784 PolarHBondContact O-N 3.13Å; E784-T789 HydrophobicContact CG-CG2 4.42Å
785D91.7Very high91.1Very high47 Ų4751.6 Ų51.625%0.25128%0.277SS..PPolyproline II helixtrans-77.7122170-168.9-18.6000109.5L741 Y787 D788L741-D785 HydrophobicContact CD2-CB 4.13Å; D785-Y787 PolarHBondContact O-N 2.8Å; D785-Y787 WeakPolarHBondContact OD1-CD2 3.45Å; D785-Y787 PolarHBondContact OD1-N 2.85Å; D785-D788 PolarHBondContact O-N 3Å
786L93.8Very high91.1Very high15 Ų1551.7 Ų51.78%0.07928%0.277CS..G310 helixtrans-64.1-26.4-178.37086.5000112.8Y683 R685 D737 D788 T789 F790Y683-L786 HydrophobicContact CD1-CD2 4.46Å; Y683-L786 HydrophobicContact CD2-CB 3.97Å; Y683-L786 HydrophobicContact CE2-CB 3.94Å; Y683-L786 HydrophobicContact CG-CB 4.31Å; R685-L786 HydrophobicContact CG-CD1 4.34Å; D737-L786 HydrophobicContact CB-CD2 3.91Å; L786-D788 PolarHBondContact O-N 2.81Å; L786-T789 WeakPolarHBondContact O-CB 3.35Å; L786-T789 PolarHBondContact O-N 3Å; L786-T789 PolarHBondContact O-OG1 3.13Å; L786-F790 HydrophobicContact CD1-CE1 4.42Å; L786-F790 HydrophobicContact CD1-CE2 4.05Å; L786-F790 HydrophobicContact CD1-CZ 3.56Å
787Y95.3Very high90.9Very high3 Ų352.8 Ų52.81%0.01228%0.278CS..G310 helixtrans-67.1-22.3-179.6-74.4-87.3000112.5F608 I610 L729 Y734 D737 D785 T789 F790F608-Y787 WeakPolarHBondContact CD1-O 3.43Å; F608-Y787 HydrophobicContact CE1-CD1 4.03Å; F608-Y787 WeakPolarHBondContact CE1-O 3.33Å; F608-Y787 HydrophobicContact CZ-CD1 4.19Å; I610-Y787 HydrophobicContact CD1-CD1 4.17Å; I610-Y787 HydrophobicContact CD1-CG 4.04Å; L729-Y787 HydrophobicContact CD1-CD1 3.94Å; L729-Y787 HydrophobicContact CD1-CE1 3.61Å; L729-Y787 HydrophobicContact CD2-CE1 4.19Å; L729-Y787 HydrophobicContact CG-CE1 4.46Å; Y734-Y787 WeakPolarHBondContact CA-OH 3.45Å; Y734-Y787 HydrophobicContact CD2-CD2 4.19Å; Y734-Y787 AromaticContact CD2-CE1 3.94Å; Y734-Y787 HydrophobicContact CD2-CE1 3.94Å; Y734-Y787 AromaticContact CD2-CE2 3.56Å; Y734-Y787 HydrophobicContact CD2-CE2 3.56Å; Y734-Y787 AromaticContact CD2-CZ 3.45Å; Y734-Y787 VanDerWaalsContact CD2-CZ 3.45Å; Y734-Y787 HydrophobicContact CE2-CD2 4.09Å; Y734-Y787 HydrophobicContact CE2-CE1 4.48Å; Y734-Y787 AromaticContact CE2-CE2 3.92Å; Y734-Y787 HydrophobicContact CE2-CE2 3.92Å; Y734-Y787 HydrophobicContact CE2-CG 4.49Å; D737-Y787 HydrophobicContact CB-CE2 3.86Å; D737-Y787 PolarHBondContact OD2-OH 3.42Å; D785-Y787 PolarHBondContact O-N 2.8Å; D785-Y787 WeakPolarHBondContact OD1-CD2 3.45Å; D785-Y787 PolarHBondContact OD1-N 2.85Å; Y787-T789 VanDerWaalsContact C-N 3.26Å; Y787-T789 PolarHBondContact O-N 3.04Å; Y787-F790 HydrophobicContact CD1-CD2 4.45Å; Y787-F790 AromaticContact CD1-CE2 3.6Å; Y787-F790 HydrophobicContact CD1-CE2 3.6Å; Y787-F790 HydrophobicContact CD1-CZ 4.47Å; Y787-F790 AromaticContact CE1-CE2 3.99Å; Y787-F790 HydrophobicContact CE1-CE2 3.99Å; Y787-F790 HydrophobicContact CG-CE2 4.15Å
788D93Very high90.1Very high139 Ų13951.4 Ų51.474%0.74328%0.278SS*.G310 helixtrans-79.7-7.4173.3-66.8-26.3000112.9D785 L786D785-D788 PolarHBondContact O-N 3Å; L786-D788 PolarHBondContact O-N 2.81Å
789T94.5Very high89.3Confident17 Ų1760 Ų6010%0.10431%0.313CS..  trans-101.8-13.3-170.274.10000114.9T658 E784 L786 Y787 N791T658-T789 WeakPolarHBondContact CG2-O 3.47Å; T658-T789 WeakPolarHBondContact CG2-OG1 3.21Å; T658-T789 PolarHBondContact OG1-O 3.07Å; T658-T789 PolarHBondContact OG1-OG1 2.91Å; E784-T789 HydrophobicContact CG-CG2 4.42Å; L786-T789 WeakPolarHBondContact O-CB 3.35Å; L786-T789 PolarHBondContact O-N 3Å; L786-T789 PolarHBondContact O-OG1 3.13Å; Y787-T789 VanDerWaalsContact C-N 3.26Å; Y787-T789 PolarHBondContact O-N 3.04Å; T789-N791 PolarHBondContact O-N 3.3Å
790F97.4Very high88.7Confident12 Ų1259 Ų595%0.05331%0.308CS..  trans-61.8127.4-175.7-66.7-55.3000112.1I605 F608 L656 T658 R685 L786 Y787I605-F790 HydrophobicContact CD1-CB 4.02Å; F608-F790 HydrophobicContact CD1-CD2 4.26Å; F608-F790 HydrophobicContact CE1-CD2 4.04Å; F608-F790 HydrophobicContact CE1-CE2 4.49Å; F608-F790 HydrophobicContact CE2-CD2 4.45Å; F608-F790 HydrophobicContact CZ-CD2 4.13Å; F608-F790 HydrophobicContact CZ-CE2 4.45Å; L656-F790 HydrophobicContact CB-CB 4.39Å; L656-F790 HydrophobicContact CB-CD1 3.64Å; L656-F790 HydrophobicContact CB-CD2 4.07Å; L656-F790 HydrophobicContact CB-CE1 3.87Å; L656-F790 HydrophobicContact CB-CE2 4.25Å; L656-F790 HydrophobicContact CB-CG 3.77Å; L656-F790 HydrophobicContact CB-CZ 4.19Å; L656-F790 HydrophobicContact CD1-CD2 4.13Å; L656-F790 HydrophobicContact CD1-CE2 4.16Å; T658-F790 WeakPolarHBondContact OG1-CD1 3.5Å; T658-F790 PolarHBondContact OG1-N 3.37Å; R685-F790 HydrophobicContact CB-CE1 4.21Å; R685-F790 HydrophobicContact CB-CZ 3.81Å; R685-F790 HydrophobicContact CG-CE1 4.02Å; R685-F790 HydrophobicContact CG-CZ 3.5Å; R685-F790 VanDerWaalsContact CG-CZ 3.5Å; L786-F790 HydrophobicContact CD1-CE1 4.42Å; L786-F790 HydrophobicContact CD1-CE2 4.05Å; L786-F790 HydrophobicContact CD1-CZ 3.56Å; Y787-F790 HydrophobicContact CD1-CD2 4.45Å; Y787-F790 AromaticContact CD1-CE2 3.6Å; Y787-F790 HydrophobicContact CD1-CE2 3.6Å; Y787-F790 HydrophobicContact CD1-CZ 4.47Å; Y787-F790 AromaticContact CE1-CE2 3.99Å; Y787-F790 HydrophobicContact CE1-CE2 3.99Å; Y787-F790 HydrophobicContact CG-CE2 4.15Å
791N96.6Very high88.7Confident36 Ų3651.6 Ų51.619%0.19327%0.274CS..  trans-132.1-3.8-176.861.113000114.5P604 I605 V657 I659 T789P604-N791 WeakPolarHBondContact CA-O 3.24Å; I605-N791 PolarHBondContact N-O 3.31Å; V657-N791 PolarHBondContact O-N 3.02Å; V657-N791 PolarHBondContact O-OD1 3.03Å; I659-N791 PolarHBondContact N-OD1 2.86Å; I659-N791 PolarHBondContact O-ND2 3.33Å; T789-N791 PolarHBondContact O-N 3.3Å
792V97.8Very high88.9Confident0 Ų049 Ų490%026%0.257CS..EExtended strand (participates in β ladder)trans-134132.9175.1179.50000111.1L583 F595 A602 I605 V657 I659 I794L583-V792 HydrophobicContact CD1-CG1 3.77Å; L583-V792 HydrophobicContact CD1-CG2 4.15Å; F595-V792 HydrophobicContact CE1-CG2 3.81Å; F595-V792 HydrophobicContact CE2-CG2 4.2Å; F595-V792 HydrophobicContact CZ-CG2 3.43Å; F595-V792 VanDerWaalsContact CZ-CG2 3.43Å; A602-V792 HydrophobicContact CB-CG1 4.03Å; I605-V792 VanDerWaalsContact CD1-C 3.49Å; I605-V792 WeakPolarHBondContact CD1-O 3.36Å; V657-V792 HydrophobicContact CB-CB 4.25Å; V657-V792 PolarHBondContact N-O 3.35Å; V657-V792 PolarHBondContact O-N 3.29Å; I659-V792 HydrophobicContact CD1-CB 4.49Å; I659-V792 HydrophobicContact CD1-CG2 3.79Å; I659-V792 HydrophobicContact CG1-CG2 4.19Å; V792-I794 HydrophobicContact CG1-CD1 4.3Å; V792-I794 HydrophobicContact CG1-CG1 3.82Å
793L97.9Very high89.3Confident2 Ų244.2 Ų44.21%0.0122%0.223CC..EExtended strand (participates in β ladder)trans-105.6125.5171.2179.668.5000109.1A602 L603 I605 V630 V632 W645 V654 F655 L656 W725A602-L793 CarbonylContact C-O 3.54Å; A602-L793 VanDerWaalsContact CA-O 3.25Å; A602-L793 WeakPolarHBondContact CA-O 3.33Å; L603-L793 PolarHBondContact N-O 3.29Å; L603-L793 PolarHBondContact O-N 3.12Å; I605-L793 HydrophobicContact CD1-CB 4.21Å; I605-L793 HydrophobicContact CG1-CB 3.84Å; V630-L793 HydrophobicContact CG1-CD1 4.47Å; V630-L793 HydrophobicContact CG1-CD2 4.23Å; V632-L793 HydrophobicContact CG1-CB 4.26Å; V632-L793 HydrophobicContact CG1-CD2 3.8Å; W645-L793 HydrophobicContact CZ3-CD2 4.19Å; V654-L793 HydrophobicContact CB-CD1 4.1Å; V654-L793 HydrophobicContact CG2-CD1 3.93Å; F655-L793 WeakPolarHBondContact O-CA 3.29Å; L656-L793 HydrophobicContact CD2-CD1 3.91Å; W725-L793 HydrophobicContact CE3-CD2 4.2Å; W725-L793 HydrophobicContact CZ3-CD2 4.14Å
794I97.6Very high89.7Confident0 Ų042.9 Ų42.90%021%0.212CC..EExtended strand (participates in β ladder)trans-117.9131.3-179.9-51.4-172.5000109.5I576 A579 I580 M601 A602 V654 F655 V657 V792I576-I794 HydrophobicContact CB-CD1 4.49Å; I576-I794 HydrophobicContact CG1-CD1 4.19Å; I576-I794 HydrophobicContact CG2-CD1 4.21Å; A579-I794 HydrophobicContact CB-CD1 4.33Å; A579-I794 HydrophobicContact CB-CG2 4.2Å; I580-I794 HydrophobicContact CD1-CD1 4.39Å; I580-I794 HydrophobicContact CG1-CD1 4.14Å; M601-I794 WeakPolarHBondContact O-CA 3.29Å; A602-I794 HydrophobicContact CB-CD1 4.49Å; A602-I794 HydrophobicContact CB-CG1 3.86Å; V654-I794 CarbonylContact C-O 3.57Å; V654-I794 WeakPolarHBondContact CA-O 3.28Å; F655-I794 HydrophobicContact CB-CB 4.31Å; F655-I794 PolarHBondContact N-O 3.06Å; F655-I794 PolarHBondContact O-N 3.21Å; V657-I794 HydrophobicContact CG2-CD1 3.73Å; V657-I794 HydrophobicContact CG2-CG1 4.13Å; V792-I794 HydrophobicContact CG1-CD1 4.3Å; V792-I794 HydrophobicContact CG1-CG1 3.82Å
795R95.1Very high89.5Confident8 Ų839.8 Ų39.83%0.0320%0.202CC..EExtended strand (participates in β ladder)trans-107.6157.5169.271.7178.4177.61032.2110.4R600 M601 E644 W645 L648 V654R600-R795 PolarHBondContact O-NH2 3.17Å; R600-R795 VanDerWaalsContact O-NH2 3.11Å; M601-R795 HydrophobicContact CE-CG 3.94Å; M601-R795 WeakPolarHBondContact CE-O 3.25Å; M601-R795 PolarHBondContact O-N 2.89Å; E644-R795 IonicContact OE2-CZ 3.66Å; E644-R795 IonicContact OE2-NH1 3.1Å; E644-R795 IonicContact OE2-NH2 2.82Å; E644-R795 PolarHBondContact OE2-NH2 2.94Å; W645-R795 VanDerWaalsContact CE2-NE 3.29Å; W645-R795 HydrophobicContact CE3-CG 4.42Å; W645-R795 HydrophobicContact CH2-CB 3.95Å; W645-R795 HydrophobicContact CH2-CG 3.58Å; W645-R795 HydrophobicContact CZ2-CG 3.8Å; W645-R795 HydrophobicContact CZ3-CB 4.01Å; W645-R795 HydrophobicContact CZ3-CG 3.91Å; L648-R795 HydrophobicContact CD2-CB 4.31Å; V654-R795 HydrophobicContact CG1-CB 4.2Å
796R91.6Very high89.4Confident6 Ų637.7 Ų37.72%0.02319%0.19CC..  trans-100.9172.9171-63.2-17468.6-154.2-3.5111.4E571 D575 M601 F655 N801 F803E571-R796 IonicContact OE2-CZ 2.77Å; E571-R796 IonicContact OE2-NH2 3.6Å; E571-R796 PolarHBondContact OE2-NH2 3.4Å; D575-R796 IonicContact OD2-CZ 3.64Å; D575-R796 IonicContact OD2-NE 2.77Å; D575-R796 PolarHBondContact OD2-NE 3.01Å; D575-R796 IonicContact OD2-NH2 3.44Å; D575-R796 PolarHBondContact OD2-NH2 3.23Å; M601-R796 WeakPolarHBondContact CE-O 3.48Å; F655-R796 HydrophobicContact CD2-CG 4.49Å; F655-R796 HydrophobicContact CE2-CG 4.01Å; R796-N801 HydrophobicContact CB-CB 4.1Å; R796-F803 VanDerWaalsContact NH1-CD1 3.3Å
797K84.8Confident89.4Confident106 Ų10637 Ų3746%0.46119%0.187SC..  trans-69.9128.8172.3-64.3-172.6-153.7115.80109.7M601 K799 E800 N801M601-K797 HydrophobicContact CE-CG 4.13Å; K797-K799 PolarHBondContact O-N 3.13Å; K797-K799 VanDerWaalsContact O-N 3.1Å; K797-E800 IonicContact NZ-OE2 3.8Å; K797-E800 PolarHBondContact NZ-OE2 3.4Å; K797-E800 VanDerWaalsContact NZ-OE2 3.16Å; K797-E800 PolarHBondContact O-N 3.49Å; K797-N801 WeakPolarHBondContact O-CB 3.28Å; K797-N801 PolarHBondContact O-N 3.11Å; K797-N801 VanDerWaalsContact O-N 3.13Å
798P72.9Confident89.2Confident82 Ų8238.3 Ų38.353%0.53219%0.193SC..THydrogen-bonded Turntrans-55-35.7-176.2-28.834.8000114.7E800 N801P798-E800 VanDerWaalsContact C-N 3.26Å; P798-E800 PolarHBondContact O-N 2.94Å; P798-N801 PolarHBondContact O-N 3.43Å
799K69.7Low89Confident198 Ų19831.9 Ų31.986%0.86116%0.159SC*.THydrogen-bonded Turntrans-66.5-24.5179.7-63.9-174.5179.9-1780113.9K797 N802K797-K799 PolarHBondContact O-N 3.13Å; K797-K799 VanDerWaalsContact O-N 3.1Å; K799-N802 PolarHBondContact O-ND2 3.37Å
800E75.2Confident88.8Confident66 Ų6631.1 Ų31.131%0.30815%0.154SC..THydrogen-bonded Turntrans-107.2-7-176.3-63173.2153.900111.4K797 P798 N802 K1351K797-E800 IonicContact NZ-OE2 3.8Å; K797-E800 PolarHBondContact NZ-OE2 3.4Å; K797-E800 VanDerWaalsContact NZ-OE2 3.16Å; K797-E800 PolarHBondContact O-N 3.49Å; P798-E800 VanDerWaalsContact C-N 3.26Å; P798-E800 PolarHBondContact O-N 2.94Å; E800-N802 VanDerWaalsContact C-N 3.28Å; E800-N802 PolarHBondContact O-N 2.97Å; E800-K1351 IonicContact OE1-NZ 2.73Å
801N83.7Confident88.5Confident10 Ų1032.6 Ų32.65%0.05316%0.159CC..  trans-88.742.1-169.9-157.818.4000114.3P653 R796 K797 P798P653-N801 WeakPolarHBondContact CB-OD1 3.41Å; P653-N801 VanDerWaalsContact CD-ND2 3.31Å; P653-N801 WeakPolarHBondContact CD-ND2 3.49Å; P653-N801 PolarHBondContact O-ND2 3.29Å; R796-N801 HydrophobicContact CB-CB 4.1Å; K797-N801 WeakPolarHBondContact O-CB 3.28Å; K797-N801 PolarHBondContact O-N 3.11Å; K797-N801 VanDerWaalsContact O-N 3.13Å; P798-N801 PolarHBondContact O-N 3.43Å
802N83.9Confident88.1Confident37 Ų3732.3 Ų32.320%0.19816%0.158CC..  trans-107.81.4-173.6-58.5-43.9000113.7K799 E800 K804 A805 V806 T1285 L1289K799-N802 PolarHBondContact O-ND2 3.37Å; E800-N802 VanDerWaalsContact C-N 3.28Å; E800-N802 PolarHBondContact O-N 2.97Å; N802-K804 VanDerWaalsContact C-N 3.34Å; N802-K804 PolarHBondContact O-N 2.86Å; N802-A805 PolarHBondContact O-N 2.71Å; N802-V806 PolarHBondContact O-N 3.34Å; N802-T1285 HydrophobicContact CB-CG2 4.24Å; N802-T1285 VanDerWaalsContact ND2-CG2 3.31Å; N802-T1285 WeakPolarHBondContact ND2-CG2 3.43Å; N802-L1289 HydrophobicContact CB-CD2 3.99Å
803F90.9Very high87.6Confident5 Ų532.9 Ų32.92%0.02216%0.161CC..Hα-helixtrans-58-42.5-168.972.1-79.9000113.4Y518 F564 S568 I572 P653 F655 R796 V806 L807Y518-F803 HydrophobicContact CD1-CE2 4.11Å; Y518-F803 AromaticContact CD1-CZ 3.86Å; Y518-F803 HydrophobicContact CD1-CZ 3.86Å; Y518-F803 HydrophobicContact CE1-CE2 4.35Å; Y518-F803 AromaticContact CE1-CZ 3.85Å; Y518-F803 HydrophobicContact CE1-CZ 3.85Å; F564-F803 HydrophobicContact CE1-CB 4.12Å; S568-F803 VanDerWaalsContact CB-CB 3.47Å; I572-F803 HydrophobicContact CD1-CD1 4.46Å; I572-F803 HydrophobicContact CD1-CD2 4.27Å; I572-F803 HydrophobicContact CD1-CE1 4.13Å; I572-F803 HydrophobicContact CD1-CE2 3.94Å; I572-F803 HydrophobicContact CD1-CZ 3.87Å; P653-F803 HydrophobicContact CB-CE1 3.9Å; P653-F803 HydrophobicContact CB-CZ 4.23Å; P653-F803 HydrophobicContact CG-CE1 4.1Å; F655-F803 HydrophobicContact CZ-CE1 4.22Å; F655-F803 AromaticContact CZ-CZ 3.88Å; F655-F803 HydrophobicContact CZ-CZ 3.88Å; R796-F803 VanDerWaalsContact NH1-CD1 3.3Å; F803-V806 PolarHBondContact O-N 3.41Å; F803-L807 HydrophobicContact CD2-CD1 4.16Å; F803-L807 WeakPolarHBondContact O-CB 3.4Å; F803-L807 WeakPolarHBondContact O-CG 3.06Å; F803-L807 PolarHBondContact O-N 2.93Å
804K91.4Very high87Confident22 Ų2233.6 Ų33.610%0.09616%0.164CC..Hα-helixtrans-62.4-46.2-179.1178.5168.4-179.3-71.20111.9L517 Y518 P653 E688 N802 V806 L807 E808L517-K804 HydrophobicContact CD1-CG 4.43Å; Y518-K804 HydrophobicContact CE1-CD 3.92Å; Y518-K804 HydrophobicContact CE2-CD 3.94Å; Y518-K804 VanDerWaalsContact CZ-CD 3.41Å; Y518-K804 WeakPolarHBondContact OH-CD 3.28Å; Y518-K804 WeakPolarHBondContact OH-CE 3.04Å; P653-K804 HydrophobicContact CG-CB 4.43Å; E688-K804 HydrophobicContact CG-CD 4.18Å; E688-K804 VanDerWaalsContact OE1-CD 3.29Å; E688-K804 WeakPolarHBondContact OE1-CD 3.19Å; E688-K804 VanDerWaalsContact OE1-CE 3.29Å; E688-K804 WeakPolarHBondContact OE1-CE 3.47Å; E688-K804 IonicContact OE1-NZ 3.79Å; E688-K804 PolarHBondContact OE1-NZ 3.48Å; E688-K804 IonicContact OE2-NZ 2.94Å; E688-K804 PolarHBondContact OE2-NZ 3.04Å; N802-K804 VanDerWaalsContact C-N 3.34Å; N802-K804 PolarHBondContact O-N 2.86Å; K804-V806 VanDerWaalsContact C-N 3.31Å; K804-V806 PolarHBondContact O-N 3.15Å; K804-L807 PolarHBondContact O-N 3.49Å; K804-E808 WeakPolarHBondContact CE-OE1 3.26Å; K804-E808 HydrophobicContact CG-CG 4.33Å; K804-E808 IonicContact NZ-OE1 2.74Å; K804-E808 PolarHBondContact NZ-OE1 3.4Å; K804-E808 WeakPolarHBondContact O-CB 3.38Å; K804-E808 WeakPolarHBondContact O-CG 3.35Å; K804-E808 PolarHBondContact O-N 2.93Å
805A85.6Confident86.4Confident25 Ų2537 Ų3721%0.20718%0.183CC..Hα-helixtrans-63.5-37.118000000112.4N802 T809 L1289N802-A805 PolarHBondContact O-N 2.71Å; A805-T809 WeakPolarHBondContact O-CB 3.26Å; A805-T809 PolarHBondContact O-N 2.79Å; A805-T809 PolarHBondContact O-OG1 3.38Å; A805-L1289 HydrophobicContact CB-CD2 3.51Å
806V88.9Confident85.6Confident2 Ų239.8 Ų39.81%0.01220%0.197CC..Hα-helixtrans-67.5-47.1174179.50000110.7F564 N802 F803 K804 E808 T809 I810 A1288 I1319F564-V806 HydrophobicContact CD1-CB 4.4Å; F564-V806 HydrophobicContact CD1-CG1 4.07Å; F564-V806 HydrophobicContact CD2-CG1 4.34Å; F564-V806 HydrophobicContact CE1-CB 3.63Å; F564-V806 HydrophobicContact CE1-CG1 3.65Å; F564-V806 HydrophobicContact CE1-CG2 4.34Å; F564-V806 HydrophobicContact CE2-CG1 3.96Å; F564-V806 HydrophobicContact CG-CG1 4.39Å; F564-V806 HydrophobicContact CZ-CB 3.72Å; F564-V806 HydrophobicContact CZ-CG1 3.6Å; F564-V806 HydrophobicContact CZ-CG2 3.98Å; N802-V806 PolarHBondContact O-N 3.34Å; F803-V806 PolarHBondContact O-N 3.41Å; K804-V806 VanDerWaalsContact C-N 3.31Å; K804-V806 PolarHBondContact O-N 3.15Å; V806-E808 VanDerWaalsContact C-N 3.35Å; V806-E808 PolarHBondContact O-N 2.91Å; V806-T809 WeakPolarHBondContact O-CB 3.38Å; V806-T809 PolarHBondContact O-N 3.36Å; V806-T809 VanDerWaalsContact O-N 3.15Å; V806-I810 HydrophobicContact CG1-CD1 4.08Å; V806-I810 WeakPolarHBondContact O-CG1 3.12Å; V806-I810 PolarHBondContact O-N 3.38Å; V806-A1288 HydrophobicContact CG2-CB 3.92Å; V806-I1319 HydrophobicContact CG1-CD1 4.41Å
807L93.2Very high84.5Confident0 Ų050.5 Ų50.50%024%0.238CC..Hα-helixtrans-61.8-40.7177.2-72.5174.5000112.6L517 F561 F564 R565 F803 K804 T809 I810 R811L517-L807 HydrophobicContact CD1-CB 4.21Å; L517-L807 HydrophobicContact CD2-CB 4.17Å; F561-L807 HydrophobicContact CD2-CD2 3.89Å; F561-L807 HydrophobicContact CE2-CB 4.24Å; F561-L807 HydrophobicContact CE2-CD2 3.95Å; F564-L807 HydrophobicContact CB-CD2 4.37Å; F564-L807 HydrophobicContact CD1-CD2 3.76Å; F564-L807 HydrophobicContact CD1-CG 3.91Å; F564-L807 HydrophobicContact CE1-CG 4.35Å; R565-L807 HydrophobicContact CB-CD1 4.25Å; R565-L807 HydrophobicContact CB-CD2 3.9Å; R565-L807 HydrophobicContact CG-CD1 4.17Å; F803-L807 HydrophobicContact CD2-CD1 4.16Å; F803-L807 WeakPolarHBondContact O-CB 3.4Å; F803-L807 WeakPolarHBondContact O-CG 3.06Å; F803-L807 PolarHBondContact O-N 2.93Å; K804-L807 PolarHBondContact O-N 3.49Å; L807-T809 VanDerWaalsContact C-N 3.33Å; L807-I810 PolarHBondContact O-N 2.95Å; L807-R811 WeakPolarHBondContact O-CB 3.39Å; L807-R811 PolarHBondContact O-N 3.35Å
808E90.5Very high83.6Confident32 Ų3248.4 Ų48.415%0.1524%0.236CC..Hα-helixtrans-60.2-45.1172.5-78.9-171.4179.200111.2L517 K804 V806 I810 R811 D812 R1292L517-E808 HydrophobicContact CD1-CB 4.24Å; L517-E808 HydrophobicContact CD1-CG 3.23Å; K804-E808 WeakPolarHBondContact CE-OE1 3.26Å; K804-E808 HydrophobicContact CG-CG 4.33Å; K804-E808 IonicContact NZ-OE1 2.74Å; K804-E808 PolarHBondContact NZ-OE1 3.4Å; K804-E808 WeakPolarHBondContact O-CB 3.38Å; K804-E808 WeakPolarHBondContact O-CG 3.35Å; K804-E808 PolarHBondContact O-N 2.93Å; V806-E808 VanDerWaalsContact C-N 3.35Å; V806-E808 PolarHBondContact O-N 2.91Å; E808-I810 VanDerWaalsContact C-N 3.35Å; E808-I810 PolarHBondContact O-N 3.39Å; E808-R811 PolarHBondContact O-N 3.42Å; E808-D812 WeakPolarHBondContact O-CB 3.48Å; E808-D812 PolarHBondContact O-N 2.93Å; E808-R1292 IonicContact OE2-CZ 3.01Å; E808-R1292 IonicContact OE2-NH1 3.32Å; E808-R1292 PolarHBondContact OE2-NH1 3.34Å; E808-R1292 IonicContact OE2-NH2 2.67Å
809T89Confident83.5Confident4 Ų444.8 Ų44.83%0.02521%0.213CC..Hα-helixtrans-58.1-46.9175.7-71.50000111.5A805 V806 L807 D812 L813 A1288 R1291 I1319A805-T809 WeakPolarHBondContact O-CB 3.26Å; A805-T809 PolarHBondContact O-N 2.79Å; A805-T809 PolarHBondContact O-OG1 3.38Å; V806-T809 WeakPolarHBondContact O-CB 3.38Å; V806-T809 PolarHBondContact O-N 3.36Å; V806-T809 VanDerWaalsContact O-N 3.15Å; L807-T809 VanDerWaalsContact C-N 3.33Å; T809-D812 PolarHBondContact O-N 2.97Å; T809-L813 HydrophobicContact CG2-CD1 4.07Å; T809-L813 HydrophobicContact CG2-CG 4.48Å; T809-L813 WeakPolarHBondContact O-CB 3.4Å; T809-L813 WeakPolarHBondContact O-CG 3.19Å; T809-L813 PolarHBondContact O-N 3.41Å; T809-A1288 PolarHBondContact OG1-O 3.33Å; T809-R1291 HydrophobicContact CG2-CB 4.47Å; T809-I1319 HydrophobicContact CG2-CD1 3.67Å; T809-I1319 HydrophobicContact CG2-CG1 3.72Å; T809-I1319 HydrophobicContact CG2-CG2 4.14Å
810I90.8Very high84.2Confident0 Ų035.8 Ų35.80%018%0.175CC..Hα-helixtrans-64.2-43.2178.9-59.3164.5000110.7L557 F561 V806 L807 E808 D812 L813 M814 I1315L557-I810 HydrophobicContact CD2-CG2 4.46Å; F561-I810 HydrophobicContact CB-CG2 3.75Å; F561-I810 HydrophobicContact CD2-CB 4.22Å; F561-I810 HydrophobicContact CD2-CG2 4.12Å; F561-I810 HydrophobicContact CG-CG2 4.43Å; V806-I810 HydrophobicContact CG1-CD1 4.08Å; V806-I810 WeakPolarHBondContact O-CG1 3.12Å; V806-I810 PolarHBondContact O-N 3.38Å; L807-I810 PolarHBondContact O-N 2.95Å; E808-I810 VanDerWaalsContact C-N 3.35Å; E808-I810 PolarHBondContact O-N 3.39Å; I810-D812 PolarHBondContact O-N 3.35Å; I810-L813 WeakPolarHBondContact O-CB 3.32Å; I810-L813 PolarHBondContact O-N 3.02Å; I810-M814 HydrophobicContact CG2-CE 4.3Å; I810-M814 WeakPolarHBondContact O-CG 3.46Å; I810-M814 PolarHBondContact O-N 2.96Å; I810-M814 VanDerWaalsContact O-N 3.11Å; I810-I1315 HydrophobicContact CD1-CD1 4.46Å; I810-I1315 HydrophobicContact CD1-CG1 3.68Å; I810-I1315 HydrophobicContact CG1-CD1 4.04Å; I810-I1315 HydrophobicContact CG1-CG1 3.67Å
811R91.9Very high84.7Confident43 Ų4333 Ų3316%0.16216%0.162CC..Hα-helixtrans-59.9-44.7175.6-177.7173.566.7179.20.9112.1I512 F561 L807 E808 L813 M814 N815I512-R811 HydrophobicContact CG2-CG 4.08Å; F561-R811 HydrophobicContact CE2-CB 4.33Å; L807-R811 WeakPolarHBondContact O-CB 3.39Å; L807-R811 PolarHBondContact O-N 3.35Å; E808-R811 PolarHBondContact O-N 3.42Å; R811-L813 VanDerWaalsContact C-N 3.33Å; R811-L813 PolarHBondContact O-N 3.39Å; R811-M814 HydrophobicContact CB-CE 4.38Å; R811-M814 PolarHBondContact O-N 3.34Å; R811-N815 PolarHBondContact O-N 2.87Å; R811-N815 PolarHBondContact O-ND2 3.05Å
812D88Confident84.6Confident31 Ų3141.2 Ų41.217%0.16620%0.2CC..Hα-helixtrans-63.2-41.3176.9-65.6-8.1000111.3E808 T809 I810 M814 N815 I816 R1292E808-D812 WeakPolarHBondContact O-CB 3.48Å; E808-D812 PolarHBondContact O-N 2.93Å; T809-D812 PolarHBondContact O-N 2.97Å; I810-D812 PolarHBondContact O-N 3.35Å; D812-M814 PolarHBondContact O-N 3.38Å; D812-N815 WeakPolarHBondContact O-CB 3.31Å; D812-N815 PolarHBondContact O-N 3.17Å; D812-I816 WeakPolarHBondContact O-CG1 3.4Å; D812-I816 PolarHBondContact O-N 2.9Å; D812-R1292 VanDerWaalsContact CG-NH2 3.27Å; D812-R1292 IonicContact OD1-CZ 3.18Å; D812-R1292 IonicContact OD1-NE 3.81Å; D812-R1292 IonicContact OD1-NH2 2.74Å; D812-R1292 PolarHBondContact OD1-NH2 3.45Å; D812-R1292 IonicContact OD2-CZ 2.93Å; D812-R1292 IonicContact OD2-NE 3.97Å; D812-R1292 PolarHBondContact OD2-NE 2.72Å; D812-R1292 IonicContact OD2-NH2 3.72Å; D812-R1292 PolarHBondContact OD2-NH2 2.68Å
813L86.4Confident84.8Confident11 Ų1141.9 Ų41.96%0.05820%0.2CC..Hα-helixtrans-61.8-31177.2-72.6173.7000113L557 T809 I810 R811 N815 R1291 I1319 L1322L557-L813 HydrophobicContact CD1-CB 4.09Å; L557-L813 HydrophobicContact CD2-CB 4.4Å; L557-L813 HydrophobicContact CD2-CD1 4.48Å; T809-L813 HydrophobicContact CG2-CD1 4.07Å; T809-L813 HydrophobicContact CG2-CG 4.48Å; T809-L813 WeakPolarHBondContact O-CB 3.4Å; T809-L813 WeakPolarHBondContact O-CG 3.19Å; T809-L813 PolarHBondContact O-N 3.41Å; I810-L813 WeakPolarHBondContact O-CB 3.32Å; I810-L813 PolarHBondContact O-N 3.02Å; R811-L813 VanDerWaalsContact C-N 3.33Å; R811-L813 PolarHBondContact O-N 3.39Å; L813-N815 VanDerWaalsContact C-N 3.29Å; L813-R1291 VanDerWaalsContact CD2-CZ 3.43Å; L813-I1319 HydrophobicContact CD1-CG1 4.4Å; L813-L1322 HydrophobicContact CD1-CD1 3.5Å; L813-L1322 HydrophobicContact CD2-CB 3.77Å; L813-L1322 HydrophobicContact CD2-CD1 3.47Å; L813-L1322 VanDerWaalsContact CD2-CD1 3.47Å; L813-L1322 HydrophobicContact CD2-CG 4.17Å; L813-L1322 HydrophobicContact CG-CD1 4.08Å
814M86.5Confident84.8Confident18 Ų1841.6 Ų41.69%0.08920%0.199CC..Hα-helixtrans-72.7-21.4174-68.2-175.4-7100113.1L509 I512 L557 L558 F561 I810 R811 D812L509-M814 HydrophobicContact CD1-CB 3.68Å; I512-M814 HydrophobicContact CD1-CE 4.03Å; I512-M814 HydrophobicContact CD1-SD 4Å; I512-M814 HydrophobicContact CG2-CE 3.69Å; L557-M814 HydrophobicContact CB-CG 3.63Å; L557-M814 HydrophobicContact CB-SD 4.1Å; L557-M814 HydrophobicContact CD1-CG 3.84Å; L557-M814 HydrophobicContact CG-CG 4.37Å; L558-M814 HydrophobicContact CB-SD 4.45Å; L558-M814 HydrophobicContact CD1-SD 4.49Å; F561-M814 HydrophobicContact CB-CE 4.25Å; F561-M814 HydrophobicContact CD2-CE 4.1Å; F561-M814 HydrophobicContact CG-CE 4.12Å; I810-M814 HydrophobicContact CG2-CE 4.3Å; I810-M814 WeakPolarHBondContact O-CG 3.46Å; I810-M814 PolarHBondContact O-N 2.96Å; I810-M814 VanDerWaalsContact O-N 3.11Å; R811-M814 HydrophobicContact CB-CE 4.38Å; R811-M814 PolarHBondContact O-N 3.34Å; D812-M814 PolarHBondContact O-N 3.38Å
815N85Confident84.7Confident72 Ų7242.6 Ų42.639%0.38521%0.205SC..Hα-helixtrans-89.9-12.5177.9-72.7-68.1000113.5N513 R811 D812 L813N513-N815 PolarHBondContact ND2-OD1 2.9Å; N513-N815 PolarHBondContact OD1-ND2 2.88Å; N513-N815 PolarHBondContact OD1-OD1 3.43Å; R811-N815 PolarHBondContact O-N 2.87Å; R811-N815 PolarHBondContact O-ND2 3.05Å; D812-N815 WeakPolarHBondContact O-CB 3.31Å; D812-N815 PolarHBondContact O-N 3.17Å; L813-N815 VanDerWaalsContact C-N 3.29Å
816I78Confident84.6Confident66 Ų6644.6 Ų44.634%0.33821%0.212SC..SBendtrans-100.9139.1-177.7-59.8163.5000109D812 V819D812-I816 WeakPolarHBondContact O-CG1 3.4Å; D812-I816 PolarHBondContact O-N 2.9Å; I816-V819 HydrophobicContact CG2-CG2 3.68Å
817R68.7Low84.7Confident230 Ų23044.6 Ų44.687%0.86821%0.212SC*.  trans-61144.7172.1-70.8-174.2178.2-172.2-1.7110.4V819R817-V819 VanDerWaalsContact O-CG2 3.29Å; R817-V819 WeakPolarHBondContact O-CG2 3.21Å; R817-V819 PolarHBondContact O-N 3.08Å; R817-V819 VanDerWaalsContact O-N 3.1Å
818S65.3Low84.5Confident62 Ų6244.8 Ų44.843%0.43421%0.213SC..  trans-43.7118.2-172.4-178.50000112.5
819V70.2Confident84.5Confident7 Ų743.6 Ų43.64%0.04221%0.208CC..  trans-95.6-7.7178.1-174.80000110.9I816 R817 L1322 Q1324 N1332I816-V819 HydrophobicContact CG2-CG2 3.68Å; R817-V819 VanDerWaalsContact O-CG2 3.29Å; R817-V819 WeakPolarHBondContact O-CG2 3.21Å; R817-V819 PolarHBondContact O-N 3.08Å; R817-V819 VanDerWaalsContact O-N 3.1Å; V819-L1322 HydrophobicContact CB-CD2 3.9Å; V819-L1322 HydrophobicContact CG1-CD2 4.36Å; V819-Q1324 WeakPolarHBondContact CG1-O 3.39Å; V819-N1332 PolarHBondContact O-ND2 2.9Å
820V84.1Confident84.4Confident9 Ų943.9 Ų43.96%0.05521%0.211CC..SBendtrans-68.5134.9-179.8-1760000109.5L553 E822 L824 L825 L828 F1318 L1322L553-V820 HydrophobicContact CD2-CG2 4.26Å; V820-E822 PolarHBondContact O-N 2.82Å; V820-L824 HydrophobicContact CG1-CB 4.26Å; V820-L824 HydrophobicContact CG1-CD2 4.35Å; V820-L824 HydrophobicContact CG1-CG 4.43Å; V820-L825 HydrophobicContact CB-CD1 4.28Å; V820-L825 HydrophobicContact CG1-CB 4.21Å; V820-L825 HydrophobicContact CG1-CD1 4.39Å; V820-L828 HydrophobicContact CG1-CD1 4.03Å; V820-F1318 HydrophobicContact CG2-CE2 3.81Å; V820-F1318 HydrophobicContact CG2-CZ 3.5Å; V820-L1322 HydrophobicContact CG2-CD2 3.85Å
821P86.2Confident83.8Confident8 Ų847.6 Ų47.65%0.05223%0.226CC..  trans-55.8136.9173.6-21.230000112.3W823 L824 L825 N1332 L1334P821-W823 HydrophobicContact CB-CD2 4.43Å; P821-W823 HydrophobicContact CB-CG 4.26Å; P821-W823 HydrophobicContact CB-CZ2 4.48Å; P821-W823 PolarHBondContact O-N 3.19Å; P821-L824 HydrophobicContact CB-CB 4.47Å; P821-L824 WeakPolarHBondContact O-CB 3.12Å; P821-L824 PolarHBondContact O-N 2.98Å; P821-L825 PolarHBondContact O-N 3.26Å; P821-N1332 HydrophobicContact CB-CB 4.42Å; P821-N1332 HydrophobicContact CG-CB 4.06Å; P821-L1334 HydrophobicContact CG-CB 4.17Å; P821-L1334 HydrophobicContact CG-CD2 4.1Å
822E82.5Confident82.9Confident182 Ų18248.8 Ų48.885%0.8524%0.235SC*.Hα-helixtrans-55.9-37.5-178.2-66.9-178.5167.800113V820 L824V820-E822 PolarHBondContact O-N 2.82Å; E822-L824 PolarHBondContact O-N 3.13Å
823W88Confident82.5Confident50 Ų5050.9 Ų50.919%0.18925%0.246CC..Hα-helixtrans-64.8-10.4178.365.2-95.9000114.1P821 A837 L1011 W1337P821-W823 HydrophobicContact CB-CD2 4.43Å; P821-W823 HydrophobicContact CB-CG 4.26Å; P821-W823 HydrophobicContact CB-CZ2 4.48Å; P821-W823 PolarHBondContact O-N 3.19Å; W823-A837 HydrophobicContact CE3-CB 3.92Å; W823-A837 HydrophobicContact CZ3-CB 3.93Å; W823-L1011 HydrophobicContact CZ3-CB 4.01Å; W823-W1337 HydrophobicContact CH2-CB 4.44Å
824L90.8Very high82.4Confident0 Ų051.2 Ų51.20%025%0.249CC..Hα-helixtrans-116.4-28.4-175.1-172.762.5000113.3V820 P821 E822 D826 L827 L828 A837 L1011 L1321 W1337V820-L824 HydrophobicContact CG1-CB 4.26Å; V820-L824 HydrophobicContact CG1-CD2 4.35Å; V820-L824 HydrophobicContact CG1-CG 4.43Å; P821-L824 HydrophobicContact CB-CB 4.47Å; P821-L824 WeakPolarHBondContact O-CB 3.12Å; P821-L824 PolarHBondContact O-N 2.98Å; E822-L824 PolarHBondContact O-N 3.13Å; L824-D826 PolarHBondContact O-N 3.32Å; L824-L827 HydrophobicContact CD1-CD2 4.32Å; L824-L827 WeakPolarHBondContact O-CB 3.5Å; L824-L827 PolarHBondContact O-N 3.21Å; L824-L828 HydrophobicContact CD1-CG 4.31Å; L824-L828 HydrophobicContact CD2-CD1 3.98Å; L824-L828 HydrophobicContact CG-CD1 3.79Å; L824-L828 HydrophobicContact CG-CG 3.94Å; L824-L828 WeakPolarHBondContact O-CG 3.44Å; L824-L828 PolarHBondContact O-N 2.94Å; L824-A837 HydrophobicContact CD1-CB 4.5Å; L824-L1011 HydrophobicContact CD1-CD2 4.29Å; L824-L1321 HydrophobicContact CD2-CD1 4.24Å; L824-L1321 HydrophobicContact CD2-CD2 4.41Å; L824-W1337 HydrophobicContact CD1-CE3 3.87Å; L824-W1337 HydrophobicContact CD1-CZ3 3.84Å; L824-W1337 HydrophobicContact CD2-CE3 3.49Å; L824-W1337 VanDerWaalsContact CD2-CE3 3.49Å; L824-W1337 HydrophobicContact CD2-CZ3 3.62Å; L824-W1337 HydrophobicContact CG-CE3 4.29Å; L824-W1337 HydrophobicContact CG-CZ3 4.2Å
825L88.3Confident82.5Confident42 Ų4250.4 Ų50.422%0.2225%0.245CC..Hα-helixtrans-57-54.8-168.6178.559.7000113.1L553 V820 P821 L827 L828 M829L553-L825 HydrophobicContact CB-CD1 4.3Å; L553-L825 HydrophobicContact CD2-CD1 4.26Å; V820-L825 HydrophobicContact CB-CD1 4.28Å; V820-L825 HydrophobicContact CG1-CB 4.21Å; V820-L825 HydrophobicContact CG1-CD1 4.39Å; P821-L825 PolarHBondContact O-N 3.26Å; L825-L827 VanDerWaalsContact C-N 3.26Å; L825-L827 PolarHBondContact O-N 3.21Å; L825-L828 CarbonylContact O-C 3.39Å; L825-L828 WeakPolarHBondContact O-CA 3.27Å; L825-L828 WeakPolarHBondContact O-CB 3.25Å; L825-L828 PolarHBondContact O-N 3.35Å; L825-L828 VanDerWaalsContact O-N 3.07Å; L825-M829 HydrophobicContact CD1-CG 4.36Å; L825-M829 WeakPolarHBondContact O-CG 3.34Å; L825-M829 PolarHBondContact O-N 2.97Å
826D85.2Confident82.6Confident67 Ų6748.1 Ų48.136%0.35824%0.236SC..Hα-helixtrans-69-26.2-176.7-69.5-18.5000112.7L824 M829 G830 Y831 L832L824-D826 PolarHBondContact O-N 3.32Å; D826-M829 PolarHBondContact O-N 3.33Å; D826-G830 PolarHBondContact O-N 2.79Å; D826-Y831 PolarHBondContact O-N 2.92Å; D826-L832 HydrophobicContact CB-CB 4.14Å; D826-L832 HydrophobicContact CB-CD1 3.48Å; D826-L832 VanDerWaalsContact CB-CD1 3.48Å; D826-L832 HydrophobicContact CB-CD2 4.43Å; D826-L832 HydrophobicContact CB-CG 3.35Å; D826-L832 PolarHBondContact O-N 3.07Å
827L89.4Confident83.2Confident3 Ų345 Ų452%0.01622%0.22CC..Hα-helixtrans-65.8-44.9170.9176.261.8000109.9L824 L825 M829 G830 L832 A837 L1011 L1369 V1374L824-L827 HydrophobicContact CD1-CD2 4.32Å; L824-L827 WeakPolarHBondContact O-CB 3.5Å; L824-L827 PolarHBondContact O-N 3.21Å; L825-L827 VanDerWaalsContact C-N 3.26Å; L825-L827 PolarHBondContact O-N 3.21Å; L827-M829 VanDerWaalsContact C-N 3.25Å; L827-M829 PolarHBondContact O-N 3.38Å; L827-G830 PolarHBondContact O-N 3.38Å; L827-G830 VanDerWaalsContact O-N 3.07Å; L827-L832 HydrophobicContact CB-CB 4.46Å; L827-L832 HydrophobicContact CB-CD1 4.47Å; L827-A837 HydrophobicContact CD2-CB 3.44Å; L827-A837 VanDerWaalsContact CD2-CB 3.44Å; L827-L1011 HydrophobicContact CD2-CD2 3.59Å; L827-L1369 HydrophobicContact CD2-CD2 4.32Å; L827-L1369 HydrophobicContact CG-CD2 4.12Å; L827-V1374 HydrophobicContact CD1-CG2 3.8Å; L827-V1374 HydrophobicContact CD2-CG2 4.21Å; L827-V1374 HydrophobicContact CG-CG2 4.45Å
828L90.6Very high84.4Confident4 Ų434.5 Ų34.52%0.02118%0.181CC..Hα-helixtrans-66.2-25.4173.8-66.8179.1000112.6V820 L824 L825 G830 F1318 L1321 W1337 L1365 R1368 L1369V820-L828 HydrophobicContact CG1-CD1 4.03Å; L824-L828 HydrophobicContact CD1-CG 4.31Å; L824-L828 HydrophobicContact CD2-CD1 3.98Å; L824-L828 HydrophobicContact CG-CD1 3.79Å; L824-L828 HydrophobicContact CG-CG 3.94Å; L824-L828 WeakPolarHBondContact O-CG 3.44Å; L824-L828 PolarHBondContact O-N 2.94Å; L825-L828 CarbonylContact O-C 3.39Å; L825-L828 WeakPolarHBondContact O-CA 3.27Å; L825-L828 WeakPolarHBondContact O-CB 3.25Å; L825-L828 PolarHBondContact O-N 3.35Å; L825-L828 VanDerWaalsContact O-N 3.07Å; L828-G830 VanDerWaalsContact C-N 3.32Å; L828-F1318 HydrophobicContact CD1-CD2 4.15Å; L828-F1318 HydrophobicContact CD1-CE2 3.69Å; L828-L1321 HydrophobicContact CD1-CD1 4.36Å; L828-W1337 HydrophobicContact CD2-CH2 4.25Å; L828-W1337 HydrophobicContact CD2-CZ3 4.11Å; L828-L1365 HydrophobicContact CD2-CD1 3.86Å; L828-L1365 HydrophobicContact CD2-CD2 4.07Å; L828-L1365 HydrophobicContact CD2-CG 4.4Å; L828-R1368 PolarHBondContact O-NH2 3.1Å; L828-L1369 HydrophobicContact CD2-CD2 4.48Å
829M89.6Confident85.6Confident7 Ų731.7 Ų31.73%0.03416%0.161CC..Hα-helixtrans-82.9-12.3172.5-61.2-59.994.800113.1Q549 F550 L553 Y556 L825 D826 L827 Y831Q549-M829 WeakPolarHBondContact CA-O 3.26Å; F550-M829 HydrophobicContact CB-SD 4.29Å; F550-M829 PolarHBondContact N-O 3.22Å; L553-M829 VanDerWaalsContact CA-SD 3.6Å; L553-M829 HydrophobicContact CB-SD 4.25Å; L553-M829 HydrophobicContact CD1-CE 4.12Å; L553-M829 PolarHBondContact N-SD 2.9Å; Y556-M829 HydrophobicContact CG-CE 4.24Å; L825-M829 HydrophobicContact CD1-CG 4.36Å; L825-M829 WeakPolarHBondContact O-CG 3.34Å; L825-M829 PolarHBondContact O-N 2.97Å; D826-M829 PolarHBondContact O-N 3.33Å; L827-M829 VanDerWaalsContact C-N 3.25Å; L827-M829 PolarHBondContact O-N 3.38Å; M829-Y831 HydrophobicContact CB-CD2 3.47Å; M829-Y831 VanDerWaalsContact CB-CD2 3.47Å; M829-Y831 HydrophobicContact CB-CE2 3.59Å; M829-Y831 HydrophobicContact CB-CG 4.37Å
830G86.1Confident86.5Confident9 Ų931.8 Ų31.89%0.09316%0.162CC..THydrogen-bonded Turntrans84.424.2179.600000114.4Q549 D826 L827 L828Q549-G830 PolarHBondContact NE2-O 3Å; D826-G830 PolarHBondContact O-N 2.79Å; L827-G830 PolarHBondContact O-N 3.38Å; L827-G830 VanDerWaalsContact O-N 3.07Å; L828-G830 VanDerWaalsContact C-N 3.32Å
831Y79.6Confident86.7Confident79 Ų7935.5 Ų35.531%0.3118%0.178SC..  trans-109.6-22.6-174.3-59.8-44.2000115.5L313 Q549 F550 L551 D826 M829L313-Y831 HydrophobicContact CB-CE1 3.9Å; L313-Y831 WeakPolarHBondContact CB-OH 3.42Å; L313-Y831 HydrophobicContact CD2-CD1 4.44Å; L313-Y831 HydrophobicContact CD2-CE1 3.71Å; L313-Y831 HydrophobicContact CD2-CE2 3.95Å; L313-Y831 VanDerWaalsContact CD2-CZ 3.42Å; L313-Y831 WeakPolarHBondContact CD2-OH 3.36Å; L313-Y831 HydrophobicContact CG-CE1 4.4Å; Q549-Y831 HydrophobicContact CB-CE1 4.39Å; F550-Y831 VanDerWaalsContact O-CE2 3.27Å; F550-Y831 WeakPolarHBondContact O-CE2 3.45Å; F550-Y831 PolarHBondContact O-OH 3.31Å; L551-Y831 WeakPolarHBondContact CA-OH 3.15Å; D826-Y831 PolarHBondContact O-N 2.92Å; M829-Y831 HydrophobicContact CB-CD2 3.47Å; M829-Y831 VanDerWaalsContact CB-CD2 3.47Å; M829-Y831 HydrophobicContact CB-CE2 3.59Å; M829-Y831 HydrophobicContact CB-CG 4.37Å
832L72.3Confident86.7Confident67 Ų6736.5 Ų36.535%0.35118%0.181SC..SBendtrans-80.4168.5177.8-90.6173.9000113.5D826 L827 P834 A836D826-L832 HydrophobicContact CB-CB 4.14Å; D826-L832 HydrophobicContact CB-CD1 3.48Å; D826-L832 VanDerWaalsContact CB-CD1 3.48Å; D826-L832 HydrophobicContact CB-CD2 4.43Å; D826-L832 HydrophobicContact CB-CG 3.35Å; D826-L832 PolarHBondContact O-N 3.07Å; L827-L832 HydrophobicContact CB-CB 4.46Å; L827-L832 HydrophobicContact CB-CD1 4.47Å; L832-P834 WeakPolarHBondContact O-CD 3.31Å; L832-A836 HydrophobicContact CB-CB 4.44Å; L832-A836 HydrophobicContact CD1-CB 4.23Å; L832-A836 HydrophobicContact CD2-CB 4.46Å
833D79.2Confident86.7Confident75 Ų7532.2 Ų32.240%0.40117%0.171SC..  trans-54.4122.4156.9179.4-3.8000108.6A835 A836D833-A835 PolarHBondContact O-N 3.01Å; D833-A835 PolarHBondContact OD1-N 3.18Å; D833-A836 HydrophobicContact CB-CB 4.29Å; D833-A836 VanDerWaalsContact O-CB 3.23Å; D833-A836 WeakPolarHBondContact O-CB 3.21Å; D833-A836 PolarHBondContact O-N 3.18Å
834P84.9Confident86.5Confident19 Ų1935.8 Ų35.812%0.12319%0.194CC..THydrogen-bonded Turntrans-53.9-24.3178.2-24.932.7000114.1L832 A922 L1372 G1373 V1374 P1375L832-P834 WeakPolarHBondContact O-CD 3.31Å; P834-A922 HydrophobicContact CB-CB 3.73Å; P834-A922 HydrophobicContact CG-CB 3.83Å; P834-L1372 WeakPolarHBondContact CB-O 3.3Å; P834-L1372 WeakPolarHBondContact CG-O 3.33Å; P834-G1373 VanDerWaalsContact CB-C 3.43Å; P834-G1373 VanDerWaalsContact CB-O 3.31Å; P834-G1373 WeakPolarHBondContact CB-O 3.24Å; P834-V1374 HydrophobicContact CB-CG2 4.08Å; P834-P1375 WeakPolarHBondContact O-CD 3.42Å
835A87.6Confident86.4Confident0 Ų037.9 Ų37.90%021%0.207CC..THydrogen-bonded Turntrans-86.1-9.5176.900000114.8D833 A837 H838 H841 A922 P1375D833-A835 PolarHBondContact O-N 3.01Å; D833-A835 PolarHBondContact OD1-N 3.18Å; A835-A837 PolarHBondContact O-N 3.03Å; A835-A837 VanDerWaalsContact O-N 3.11Å; A835-H838 WeakPolarHBondContact O-CB 3.5Å; A835-H838 PolarHBondContact O-N 3.23Å; A835-H841 WeakPolarHBondContact CB-NE2 3.45Å; A835-H841 PolarHBondContact O-CD2 3.45Å; A835-A922 HydrophobicContact CB-CB 4.35Å; A835-P1375 HydrophobicContact CB-CG 3.73Å
836A87.6Confident86.5Confident25 Ų2537.1 Ų37.121%0.20720%0.201CC..THydrogen-bonded Turntrans-58.8-31.1-171.800000114.4L832 D833L832-A836 HydrophobicContact CB-CB 4.44Å; L832-A836 HydrophobicContact CD1-CB 4.23Å; L832-A836 HydrophobicContact CD2-CB 4.46Å; D833-A836 HydrophobicContact CB-CB 4.29Å; D833-A836 VanDerWaalsContact O-CB 3.23Å; D833-A836 WeakPolarHBondContact O-CB 3.21Å; D833-A836 PolarHBondContact O-N 3.18Å
837A91Very high86.6Confident0 Ų036.7 Ų36.70%020%0.197CC..THydrogen-bonded Turntrans-83.9-11.9179.400000113.5W823 L824 L827 A835 G1010 L1011W823-A837 HydrophobicContact CE3-CB 3.92Å; W823-A837 HydrophobicContact CZ3-CB 3.93Å; L824-A837 HydrophobicContact CD1-CB 4.5Å; L827-A837 HydrophobicContact CD2-CB 3.44Å; L827-A837 VanDerWaalsContact CD2-CB 3.44Å; A835-A837 PolarHBondContact O-N 3.03Å; A835-A837 VanDerWaalsContact O-N 3.11Å; A837-G1010 CarbonylContact O-C 3.44Å; A837-G1010 VanDerWaalsContact O-CA 3.31Å; A837-G1010 WeakPolarHBondContact O-CA 3.48Å; A837-L1011 HydrophobicContact CB-CB 3.78Å; A837-L1011 HydrophobicContact CB-CD2 4.11Å; A837-L1011 PolarHBondContact O-N 3.13Å
838H93.3Very high86.6Confident10 Ų1040.1 Ų40.15%0.04621%0.213CC..SBendtrans-70.1149.1177.5-170.5-103.1000110.4A835 T840 H841 P1375A835-H838 WeakPolarHBondContact O-CB 3.5Å; A835-H838 PolarHBondContact O-N 3.23Å; H838-T840 VanDerWaalsContact CE1-CG2 3.48Å; H838-T840 WeakPolarHBondContact CE1-CG2 3.41Å; H838-T840 VanDerWaalsContact ND1-CG2 3.33Å; H838-T840 WeakPolarHBondContact ND1-CG2 3.46Å; H838-T840 PolarHBondContact ND1-N 2.89Å; H838-T840 PolarHBondContact ND1-OG1 3.11Å; H838-T840 PolarHBondContact O-N 2.96Å; H838-H841 PolarHBondContact O-N 3.36Å; H838-P1375 HydrophobicContact CB-CG 4.37Å
839Y91.5Very high86.7Confident3 Ų345.8 Ų45.81%0.01223%0.234CC..G310 helixtrans-58.5-26.6-174.176.7-95.7000113.4H841 R842 Y846 T917 E1001 Q1008 C1009Y839-H841 PolarHBondContact O-N 3.34Å; Y839-R842 PolarHBondContact O-N 3.41Å; Y839-R842 VanDerWaalsContact O-N 3.11Å; Y839-Y846 AromaticContact CD2-CD2 3.9Å; Y839-Y846 HydrophobicContact CD2-CD2 3.9Å; Y839-Y846 AromaticContact CD2-CE2 3.9Å; Y839-Y846 HydrophobicContact CD2-CE2 3.9Å; Y839-Y846 HydrophobicContact CE2-CD2 4.36Å; Y839-Y846 AromaticContact CE2-CE2 3.9Å; Y839-Y846 HydrophobicContact CE2-CE2 3.9Å; Y839-T917 PolarHBondContact OH-OG1 3.06Å; Y839-E1001 PolarHBondContact OH-OE1 3.07Å; Y839-Q1008 VanDerWaalsContact CB-CB 3.48Å; Y839-Q1008 HydrophobicContact CD1-CB 4.07Å; Y839-Q1008 HydrophobicContact CD1-CG 4.33Å; Y839-Q1008 HydrophobicContact CD2-CB 4.1Å; Y839-Q1008 HydrophobicContact CD2-CG 3.92Å; Y839-Q1008 HydrophobicContact CE2-CG 4.38Å; Y839-Q1008 HydrophobicContact CG-CB 3.62Å; Y839-Q1008 HydrophobicContact CG-CG 3.91Å; Y839-C1009 WeakPolarHBondContact CA-O 3.5Å; Y839-C1009 VanDerWaalsContact CB-O 3.3Å; Y839-C1009 WeakPolarHBondContact CB-O 3.34Å
840T89.4Confident86.8Confident9 Ų945.5 Ų45.56%0.05523%0.232CC..G310 helixtrans-69.4-18.7-179.959.40000114H838 L912 T917 A918 V920H838-T840 VanDerWaalsContact CE1-CG2 3.48Å; H838-T840 WeakPolarHBondContact CE1-CG2 3.41Å; H838-T840 VanDerWaalsContact ND1-CG2 3.33Å; H838-T840 WeakPolarHBondContact ND1-CG2 3.46Å; H838-T840 PolarHBondContact ND1-N 2.89Å; H838-T840 PolarHBondContact ND1-OG1 3.11Å; H838-T840 PolarHBondContact O-N 2.96Å; T840-L912 WeakPolarHBondContact O-CD2 3.4Å; T840-T917 WeakPolarHBondContact CG2-O 3.36Å; T840-A918 WeakPolarHBondContact CB-O 3.49Å; T840-V920 HydrophobicContact CG2-CB 4.25Å; T840-V920 HydrophobicContact CG2-CG2 4.03Å
841H86.9Confident87.1Confident87 Ų8746.1 Ų46.140%0.40323%0.233SC..G310 helixtrans-99.31174.7-69.3-93000112.2A835 H838 Y839 V920A835-H841 WeakPolarHBondContact CB-NE2 3.45Å; A835-H841 PolarHBondContact O-CD2 3.45Å; H838-H841 PolarHBondContact O-N 3.36Å; Y839-H841 PolarHBondContact O-N 3.34Å; H841-V920 PolarHBondContact NE2-O 3.24Å
842R87.1Confident87.8Confident29 Ų2942.3 Ų42.311%0.10922%0.219CC..  trans-113.860.7-177.1-62.3-163.365.7-170-2.1111.9Y839 D844 V845 Y846Y839-R842 PolarHBondContact O-N 3.41Å; Y839-R842 VanDerWaalsContact O-N 3.11Å; R842-D844 VanDerWaalsContact C-OD1 3.27Å; R842-D844 WeakPolarHBondContact CA-OD1 3.28Å; R842-D844 PolarHBondContact O-N 3.28Å; R842-D844 VanDerWaalsContact O-N 3.16Å; R842-V845 HydrophobicContact CB-CG2 3.71Å; R842-V845 PolarHBondContact O-N 3.26Å; R842-Y846 PolarHBondContact O-N 3.06Å
843S82.7Confident88.6Confident92 Ų9240.5 Ų40.564%0.64321%0.209SC*.THydrogen-bonded Turntrans-61.4-22.8-17858.80000114.1V845S843-V845 VanDerWaalsContact C-N 3.32Å
844D84Confident88.8Confident125 Ų12539 Ų3967%0.66820%0.201SC*.THydrogen-bonded Turntrans-67.9-28.1178.261.5-50.1000113.4R842R842-D844 VanDerWaalsContact C-OD1 3.27Å; R842-D844 WeakPolarHBondContact CA-OD1 3.28Å; R842-D844 PolarHBondContact O-N 3.28Å; R842-D844 VanDerWaalsContact O-N 3.16Å
845V88.2Confident89.2Confident44 Ų4438.1 Ų38.127%0.26720%0.195SC..SBendtrans-121.210.7-177.2-67.60000113.4R842 S843 E847 C1009R842-V845 HydrophobicContact CB-CG2 3.71Å; R842-V845 PolarHBondContact O-N 3.26Å; S843-V845 VanDerWaalsContact C-N 3.32Å; V845-E847 PolarHBondContact O-N 2.72Å; V845-C1009 HydrophobicContact CB-CB 3.96Å; V845-C1009 HydrophobicContact CG2-CB 3.6Å
846Y89.8Confident89.5Confident26 Ų2638.2 Ų38.210%0.10220%0.196CC..  trans-70.4126.3-179.2178-111.3000112Y839 R842 Q848 F909 L912 D915 R1004Y839-Y846 AromaticContact CD2-CD2 3.9Å; Y839-Y846 HydrophobicContact CD2-CD2 3.9Å; Y839-Y846 AromaticContact CD2-CE2 3.9Å; Y839-Y846 HydrophobicContact CD2-CE2 3.9Å; Y839-Y846 HydrophobicContact CE2-CD2 4.36Å; Y839-Y846 AromaticContact CE2-CE2 3.9Å; Y839-Y846 HydrophobicContact CE2-CE2 3.9Å; R842-Y846 PolarHBondContact O-N 3.06Å; Y846-Q848 HydrophobicContact CD1-CG 4.11Å; Y846-Q848 HydrophobicContact CE1-CG 3.72Å; Y846-F909 WeakPolarHBondContact OH-CB 3.47Å; Y846-L912 HydrophobicContact CD1-CB 4.04Å; Y846-L912 HydrophobicContact CD2-CD1 4.2Å; Y846-L912 HydrophobicContact CE1-CB 4.23Å; Y846-L912 HydrophobicContact CE1-CD1 4.44Å; Y846-L912 HydrophobicContact CE2-CD1 4.14Å; Y846-L912 HydrophobicContact CG-CB 4.47Å; Y846-L912 HydrophobicContact CG-CD1 4.38Å; Y846-D915 PolarHBondContact OH-OD2 3.5Å; Y846-R1004 PolarHBondContact OH-NH2 3.36Å; Y846-R1004 VanDerWaalsContact OH-NH2 3.14Å
847E87.3Confident89.6Confident57 Ų5740.4 Ų40.427%0.26620%0.203SC..  trans-103.6110.4-177.8-64.5-167.8-152.200111.5V845 Q1008 Y1037V845-E847 PolarHBondContact O-N 2.72Å; E847-Q1008 VanDerWaalsContact N-OE1 3.08Å; E847-Q1008 PolarHBondContact O-NE2 3.47Å; E847-Y1037 PolarHBondContact OE1-OH 2.91Å; E847-Y1037 WeakPolarHBondContact OE2-CE1 3.49Å; E847-Y1037 VanDerWaalsContact OE2-CZ 3.27Å; E847-Y1037 PolarHBondContact OE2-OH 2.81Å
848Q90.1Very high89.6Confident76 Ų7642 Ų4236%0.35522%0.215SC..SBendtrans-71.2-36.9179.4-76.3169.857.800112.9Y846 I908 F909Y846-Q848 HydrophobicContact CD1-CG 4.11Å; Y846-Q848 HydrophobicContact CE1-CG 3.72Å; Q848-I908 CarbonylContact O-C 3.53Å; Q848-I908 WeakPolarHBondContact O-CA 3.37Å; Q848-F909 PolarHBondContact O-N 3.11Å
849R93Very high89.5Confident122 Ų12242.1 Ų42.146%0.4622%0.217SC..EExtended strand (participates in β ladder)trans-107.4120.4-172.5-175.4173.5-167.4-159.54.1111L907 I908 E958R849-L907 WeakPolarHBondContact CA-O 3.39Å; R849-I908 HydrophobicContact CB-CG1 4.31Å; R849-I908 HydrophobicContact CG-CG1 3.96Å; R849-E958 IonicContact CZ-OE2 3.69Å; R849-E958 IonicContact NE-OE2 3.83Å; R849-E958 IonicContact NH2-OE1 2.67Å; R849-E958 IonicContact NH2-OE2 3.38Å; R849-E958 PolarHBondContact NH2-OE2 3.07Å
850Q91.8Very high89.4Confident2 Ų246.8 Ų46.81%0.00924%0.238CC..EExtended strand (participates in β ladder)trans-137.6144-177.2-66.3-179.7-27.900111.2R906 L907 M1007Q850-R906 CarbonylContact O-C 3.54Å; Q850-R906 WeakPolarHBondContact O-CA 3.5Å; Q850-L907 PolarHBondContact N-O 3.44Å; Q850-L907 PolarHBondContact O-N 3.15Å; Q850-M1007 HydrophobicContact CB-CE 3.92Å; Q850-M1007 HydrophobicContact CG-CE 4.33Å
851N92.4Very high89.6Confident21 Ų2147.1 Ų47.111%0.11224%0.239CC..EExtended strand (participates in β ladder)trans-90.7125.2171.8-166.73.5000110.7L853 Y905 R906 Y960 N1036N851-L853 WeakPolarHBondContact ND2-CD2 3.49Å; N851-L853 PolarHBondContact OD1-N 3.45Å; N851-Y905 PolarHBondContact OD1-O 3.11Å; N851-R906 HydrophobicContact CB-CG 4.08Å; N851-Y960 PolarHBondContact ND2-OH 3.4Å; N851-Y960 PolarHBondContact OD1-OH 3.27Å; N851-N1036 WeakPolarHBondContact CA-OD1 3.28Å; N851-N1036 WeakPolarHBondContact CB-OD1 3.42Å; N851-N1036 PolarHBondContact N-OD1 3.26Å; N851-N1036 PolarHBondContact O-ND2 3.19Å
852W94Very high89.9Confident0 Ų043 Ų430%022%0.22CC..  trans-106.3-1.3-175.6-7567.8000113.4D854 T855 F856 Y905 L907 F909 I1000 I1003 R1004 M1007W852-D854 PolarHBondContact O-N 2.94Å; W852-T855 HydrophobicContact CE3-CG2 3.74Å; W852-T855 HydrophobicContact CZ3-CG2 4.06Å; W852-T855 WeakPolarHBondContact O-CB 3.03Å; W852-T855 PolarHBondContact O-N 3.11Å; W852-T855 PolarHBondContact O-OG1 3.03Å; W852-F856 HydrophobicContact CB-CD2 4.23Å; W852-F856 HydrophobicContact CB-CE2 4.04Å; W852-F856 AromaticContact CD2-CE2 3.77Å; W852-F856 HydrophobicContact CD2-CE2 3.77Å; W852-F856 HydrophobicContact CD2-CZ 4.42Å; W852-F856 HydrophobicContact CE3-CD2 4.34Å; W852-F856 AromaticContact CE3-CE2 3.35Å; W852-F856 HydrophobicContact CE3-CE2 3.35Å; W852-F856 AromaticContact CE3-CZ 3.75Å; W852-F856 HydrophobicContact CE3-CZ 3.75Å; W852-F856 HydrophobicContact CG-CE2 4.08Å; W852-F856 HydrophobicContact CZ3-CE2 4.04Å; W852-F856 AromaticContact CZ3-CZ 3.94Å; W852-F856 HydrophobicContact CZ3-CZ 3.94Å; W852-Y905 PolarHBondContact N-O 3.14Å; W852-L907 HydrophobicContact CD2-CD1 3.9Å; W852-L907 HydrophobicContact CG-CD1 3.89Å; W852-L907 HydrophobicContact CG-CG 3.99Å; W852-L907 HydrophobicContact CZ2-CD1 4.4Å; W852-F909 AromaticContact CZ2-CE2 3.98Å; W852-F909 HydrophobicContact CZ2-CE2 3.98Å; W852-F909 AromaticContact CZ2-CZ 3.75Å; W852-F909 HydrophobicContact CZ2-CZ 3.75Å; W852-F909 AromaticContact NE1-CE2 3.85Å; W852-I1000 HydrophobicContact CH2-CG2 4.2Å; W852-I1000 HydrophobicContact CZ3-CD1 4.31Å; W852-I1000 HydrophobicContact CZ3-CG2 4.02Å; W852-I1003 HydrophobicContact CE3-CG2 4.39Å; W852-I1003 HydrophobicContact CH2-CG2 4.21Å; W852-I1003 HydrophobicContact CZ3-CB 4.3Å; W852-I1003 HydrophobicContact CZ3-CG2 3.8Å; W852-R1004 HydrophobicContact CH2-CB 3.74Å; W852-R1004 HydrophobicContact CH2-CG 4.36Å; W852-R1004 HydrophobicContact CZ2-CB 4.03Å; W852-R1004 HydrophobicContact CZ2-CG 4.16Å; W852-M1007 HydrophobicContact CD2-SD 4.5Å; W852-M1007 HydrophobicContact CZ2-SD 4.38Å
853L88.9Confident90.2Very high29 Ų2945.6 Ų45.615%0.15223%0.232CC..THydrogen-bonded Turntrans49.9-120.8171.8-56.9172.3000112.4N851 P904 H1035N851-L853 WeakPolarHBondContact ND2-CD2 3.49Å; N851-L853 PolarHBondContact OD1-N 3.45Å; L853-P904 WeakPolarHBondContact O-CA 3.42Å; L853-P904 VanDerWaalsContact O-CB 3.27Å; L853-P904 WeakPolarHBondContact O-CB 3.29Å; L853-H1035 HydrophobicContact CD1-CB 3.82Å; L853-H1035 WeakPolarHBondContact CD1-CD2 3.43Å
854D84.1Confident90.6Very high43 Ų4346.6 Ų46.623%0.2323%0.231CC..THydrogen-bonded Turntrans-9510-178.471.5-32.9000113.6W852 F856 G990 N991 Q1028 H1031W852-D854 PolarHBondContact O-N 2.94Å; D854-F856 PolarHBondContact O-N 3.28Å; D854-G990 WeakPolarHBondContact OD2-CA 3.05Å; D854-N991 PolarHBondContact OD2-N 3.38Å; D854-Q1028 PolarHBondContact OD1-NE2 3.39Å; D854-Q1028 VanDerWaalsContact OD1-NE2 3.14Å; D854-H1031 IonicContact OD1-CE1 3.66Å; D854-H1031 PolarHBondContact OD1-CE1 3.19Å; D854-H1031 VanDerWaalsContact OD1-CE1 3.26Å; D854-H1031 IonicContact OD1-ND1 3.3Å; D854-H1031 PolarHBondContact OD1-ND1 3.32Å
855T92.2Very high90.9Very high0 Ų041 Ų410%020%0.201CC..SBendtrans-57.4-37.1179.3-53.40000111.3W852 H861 F995 I1000 I1003 Q1028 N1032W852-T855 HydrophobicContact CE3-CG2 3.74Å; W852-T855 HydrophobicContact CZ3-CG2 4.06Å; W852-T855 WeakPolarHBondContact O-CB 3.03Å; W852-T855 PolarHBondContact O-N 3.11Å; W852-T855 PolarHBondContact O-OG1 3.03Å; T855-H861 PolarHBondContact O-CE1 3.26Å; T855-F995 HydrophobicContact CG2-CD2 3.89Å; T855-F995 HydrophobicContact CG2-CE2 4.25Å; T855-I1000 HydrophobicContact CG2-CD1 3.48Å; T855-I1000 VanDerWaalsContact CG2-CD1 3.48Å; T855-I1003 HydrophobicContact CG2-CD1 4.04Å; T855-Q1028 HydrophobicContact CG2-CG 4.19Å; T855-Q1028 PolarHBondContact OG1-NE2 2.84Å; T855-Q1028 VanDerWaalsContact OG1-NE2 3.15Å; T855-N1032 PolarHBondContact OG1-ND2 2.93Å; T855-N1032 VanDerWaalsContact OG1-ND2 3.09Å; T855-N1032 PolarHBondContact OG1-OD1 2.85Å
856F94Very high91Very high3 Ų338.9 Ų38.91%0.01319%0.188CC..  trans-105.4131.7177.5-57.7-77.9000111.3W852 D854 L862 L866 P903 Y905 L907 I1000W852-F856 HydrophobicContact CB-CD2 4.23Å; W852-F856 HydrophobicContact CB-CE2 4.04Å; W852-F856 AromaticContact CD2-CE2 3.77Å; W852-F856 HydrophobicContact CD2-CE2 3.77Å; W852-F856 HydrophobicContact CD2-CZ 4.42Å; W852-F856 HydrophobicContact CE3-CD2 4.34Å; W852-F856 AromaticContact CE3-CE2 3.35Å; W852-F856 HydrophobicContact CE3-CE2 3.35Å; W852-F856 AromaticContact CE3-CZ 3.75Å; W852-F856 HydrophobicContact CE3-CZ 3.75Å; W852-F856 HydrophobicContact CG-CE2 4.08Å; W852-F856 HydrophobicContact CZ3-CE2 4.04Å; W852-F856 AromaticContact CZ3-CZ 3.94Å; W852-F856 HydrophobicContact CZ3-CZ 3.94Å; D854-F856 PolarHBondContact O-N 3.28Å; F856-L862 HydrophobicContact CB-CB 4.43Å; F856-L862 HydrophobicContact CD1-CB 4Å; F856-L862 HydrophobicContact CD1-CD1 3.84Å; F856-L862 HydrophobicContact CD2-CD1 3.76Å; F856-L862 HydrophobicContact CE1-CB 4.46Å; F856-L862 HydrophobicContact CE1-CD1 3.6Å; F856-L862 HydrophobicContact CE2-CD1 3.51Å; F856-L862 HydrophobicContact CG-CB 4.13Å; F856-L862 HydrophobicContact CG-CD1 3.91Å; F856-L862 HydrophobicContact CZ-CD1 3.43Å; F856-L862 VanDerWaalsContact CZ-CD1 3.43Å; F856-L866 HydrophobicContact CZ-CD1 4.23Å; F856-P903 WeakPolarHBondContact O-CB 3.48Å; F856-P903 WeakPolarHBondContact O-CG 3.43Å; F856-Y905 HydrophobicContact CB-CD2 4.06Å; F856-Y905 HydrophobicContact CB-CE2 4.23Å; F856-Y905 HydrophobicContact CD2-CD2 4.37Å; F856-L907 HydrophobicContact CE2-CD1 3.83Å; F856-L907 HydrophobicContact CZ-CD1 4.28Å; F856-I1000 HydrophobicContact CD1-CD1 4.3Å; F856-I1000 HydrophobicContact CE1-CD1 3.62Å; F856-I1000 HydrophobicContact CE1-CG1 4.02Å; F856-I1000 HydrophobicContact CE1-CG2 4.15Å; F856-I1000 HydrophobicContact CZ-CD1 3.91Å; F856-I1000 HydrophobicContact CZ-CG1 4.49Å; F856-I1000 HydrophobicContact CZ-CG2 3.97Å
857L90.2Very high90.9Very high70 Ų7041.1 Ų41.137%0.36621%0.207SC..SBendtrans-89.6-23.3-176.3-54.1-177000112.9H861 N991 P994L857-H861 PolarHBondContact N-ND1 3.33Å; L857-H861 VanDerWaalsContact N-ND1 3.14Å; L857-N991 HydrophobicContact CD2-CB 4.38Å; L857-N991 WeakPolarHBondContact CD2-O 3.48Å; L857-P994 HydrophobicContact CD1-CB 4.2Å
858S90.8Very high90.9Very high34 Ų3441.1 Ų41.124%0.23821%0.208CC..SBendtrans-156.6164179.888.10000111.9E860 H861 L862S858-E860 VanDerWaalsContact CB-OE2 3.27Å; S858-E860 WeakPolarHBondContact CB-OE2 3.41Å; S858-E860 PolarHBondContact O-N 3.3Å; S858-E860 PolarHBondContact OG-N 2.98Å; S858-E860 PolarHBondContact OG-OE2 3.11Å; S858-H861 WeakPolarHBondContact O-CB 3.1Å; S858-H861 PolarHBondContact O-N 3.1Å; S858-H861 PolarHBondContact OG-N 3Å; S858-H861 VanDerWaalsContact OG-N 3.09Å; S858-L862 PolarHBondContact O-N 3.2Å; S858-L862 VanDerWaalsContact O-N 3.1Å
859P90.3Very high90.9Very high13 Ų1338 Ų388%0.08419%0.192CC..Hα-helixtrans-56.7-36.2171.9-19.628.3000113L862 K863 F873 L900 Y905P859-L862 PolarHBondContact O-N 3.29Å; P859-K863 WeakPolarHBondContact O-CG 3.45Å; P859-K863 PolarHBondContact O-N 3.29Å; P859-F873 HydrophobicContact CB-CE1 3.87Å; P859-F873 HydrophobicContact CB-CZ 4Å; P859-L900 HydrophobicContact CB-CB 3.93Å; P859-L900 HydrophobicContact CB-CD1 4.28Å; P859-L900 HydrophobicContact CG-CB 4.09Å; P859-Y905 WeakPolarHBondContact CA-OH 3.32Å; P859-Y905 WeakPolarHBondContact CG-OH 3.45Å
860E90.3Very high90.7Very high100 Ų10036.1 Ų36.147%0.46719%0.192SC..Hα-helixtrans-69.1-41.5177.7-58.269.2-146.900111S858 L862 K863 N864S858-E860 VanDerWaalsContact CB-OE2 3.27Å; S858-E860 WeakPolarHBondContact CB-OE2 3.41Å; S858-E860 PolarHBondContact O-N 3.3Å; S858-E860 PolarHBondContact OG-N 2.98Å; S858-E860 PolarHBondContact OG-OE2 3.11Å; E860-L862 VanDerWaalsContact C-N 3.32Å; E860-L862 PolarHBondContact O-N 3.19Å; E860-K863 PolarHBondContact O-N 3.31Å; E860-N864 VanDerWaalsContact O-CB 3.28Å; E860-N864 WeakPolarHBondContact O-CB 3.31Å; E860-N864 PolarHBondContact O-N 3.34Å; E860-N864 PolarHBondContact O-ND2 3.06Å
861H93.3Very high90.7Very high17 Ų1736.8 Ų36.88%0.07920%0.196CC..Hα-helixtrans-58.2-46.1173.7178.5-162.1000110.3T855 L857 S858 K863 N864 S865 F995T855-H861 PolarHBondContact O-CE1 3.26Å; L857-H861 PolarHBondContact N-ND1 3.33Å; L857-H861 VanDerWaalsContact N-ND1 3.14Å; S858-H861 WeakPolarHBondContact O-CB 3.1Å; S858-H861 PolarHBondContact O-N 3.1Å; S858-H861 PolarHBondContact OG-N 3Å; S858-H861 VanDerWaalsContact OG-N 3.09Å; H861-K863 PolarHBondContact O-N 3.26Å; H861-N864 PolarHBondContact O-N 2.79Å; H861-S865 PolarHBondContact CD2-OG 2.81Å; H861-S865 PolarHBondContact NE2-OG 3.34Å; H861-S865 WeakPolarHBondContact O-CB 3.44Å; H861-S865 PolarHBondContact O-N 3.3Å; H861-S865 PolarHBondContact O-OG 3.46Å; H861-S865 VanDerWaalsContact O-OG 3.07Å; H861-F995 PolarHBondContact CE1-N 2.66Å; H861-F995 PolarHBondContact NE2-N 3.03Å; H861-F995 PolarHBondContact NE2-O 3.29Å
862L93.6Very high90.6Very high0 Ų040.1 Ų40.10%021%0.211CC..Hα-helixtrans-59.4-48.6175.617964.9000112.6F856 S858 P859 E860 N864 S865 L866 V871 F873 Y905 L907 A957F856-L862 HydrophobicContact CB-CB 4.43Å; F856-L862 HydrophobicContact CD1-CB 4Å; F856-L862 HydrophobicContact CD1-CD1 3.84Å; F856-L862 HydrophobicContact CD2-CD1 3.76Å; F856-L862 HydrophobicContact CE1-CB 4.46Å; F856-L862 HydrophobicContact CE1-CD1 3.6Å; F856-L862 HydrophobicContact CE2-CD1 3.51Å; F856-L862 HydrophobicContact CG-CB 4.13Å; F856-L862 HydrophobicContact CG-CD1 3.91Å; F856-L862 HydrophobicContact CZ-CD1 3.43Å; F856-L862 VanDerWaalsContact CZ-CD1 3.43Å; S858-L862 PolarHBondContact O-N 3.2Å; S858-L862 VanDerWaalsContact O-N 3.1Å; P859-L862 PolarHBondContact O-N 3.29Å; E860-L862 VanDerWaalsContact C-N 3.32Å; E860-L862 PolarHBondContact O-N 3.19Å; L862-N864 PolarHBondContact O-N 3.31Å; L862-S865 PolarHBondContact O-N 3.33Å; L862-L866 HydrophobicContact CD1-CD1 3.76Å; L862-L866 WeakPolarHBondContact O-CB 3.48Å; L862-L866 PolarHBondContact O-N 3.26Å; L862-V871 HydrophobicContact CD2-CG1 3.96Å; L862-V871 HydrophobicContact CG-CG1 4.38Å; L862-F873 HydrophobicContact CD2-CE1 3.85Å; L862-F873 HydrophobicContact CD2-CZ 3.92Å; L862-Y905 HydrophobicContact CB-CE2 4.45Å; L862-Y905 HydrophobicContact CD2-CD2 4.02Å; L862-Y905 HydrophobicContact CD2-CE2 4.13Å; L862-Y905 HydrophobicContact CD2-CG 4.27Å; L862-L907 HydrophobicContact CD1-CD1 4.03Å; L862-L907 HydrophobicContact CD1-CD2 4.07Å; L862-L907 HydrophobicContact CD2-CD2 4.11Å; L862-A957 HydrophobicContact CD2-CB 3.63Å
863K92.6Very high90.4Very high83 Ų8341.9 Ų41.936%0.36122%0.218SC..Hα-helixtrans-62.6-41179.3-75.6-178.9177.9-174.70112.8P859 E860 H861 L866 S867 V871 F873P859-K863 WeakPolarHBondContact O-CG 3.45Å; P859-K863 PolarHBondContact O-N 3.29Å; E860-K863 PolarHBondContact O-N 3.31Å; H861-K863 PolarHBondContact O-N 3.26Å; K863-L866 CarbonylContact O-C 3.6Å; K863-S867 WeakPolarHBondContact O-CA 3.42Å; K863-S867 PolarHBondContact O-N 2.92Å; K863-V871 HydrophobicContact CG-CB 4.4Å; K863-V871 HydrophobicContact CG-CG2 4.44Å; K863-F873 HydrophobicContact CD-CE2 4.21Å; K863-F873 HydrophobicContact CG-CE2 3.98Å; K863-F873 HydrophobicContact CG-CZ 4.06Å
864N91.2Very high90.4Very high114 Ų11443 Ų4361%0.6123%0.227SC*.Hα-helixtrans-70.7-40.4-179.1-69.5-17.7000111.3E860 H861 L862E860-N864 VanDerWaalsContact O-CB 3.28Å; E860-N864 WeakPolarHBondContact O-CB 3.31Å; E860-N864 PolarHBondContact O-N 3.34Å; E860-N864 PolarHBondContact O-ND2 3.06Å; H861-N864 PolarHBondContact O-N 2.79Å; L862-N864 PolarHBondContact O-N 3.31Å
865S90.9Very high90.3Very high6 Ų642.8 Ų42.84%0.04223%0.225CC..Hα-helixtrans-73-27179.7-62.70000113.7H861 L862H861-S865 PolarHBondContact CD2-OG 2.81Å; H861-S865 PolarHBondContact NE2-OG 3.34Å; H861-S865 WeakPolarHBondContact O-CB 3.44Å; H861-S865 PolarHBondContact O-N 3.3Å; H861-S865 PolarHBondContact O-OG 3.46Å; H861-S865 VanDerWaalsContact O-OG 3.07Å; L862-S865 PolarHBondContact O-N 3.33Å
866L90.8Very high89.5Confident0 Ų047.3 Ų47.30%025%0.245CC..THydrogen-bonded Turntrans-119.944.6-178.8-66-179000112.2F856 L862 K863 Q868 Y869 L907 F909 L955 I1000F856-L866 HydrophobicContact CZ-CD1 4.23Å; L862-L866 HydrophobicContact CD1-CD1 3.76Å; L862-L866 WeakPolarHBondContact O-CB 3.48Å; L862-L866 PolarHBondContact O-N 3.26Å; K863-L866 CarbonylContact O-C 3.6Å; L866-Q868 PolarHBondContact O-N 2.96Å; L866-Y869 HydrophobicContact CB-CD2 4.11Å; L866-Y869 HydrophobicContact CD2-CE2 4.42Å; L866-Y869 PolarHBondContact O-N 2.96Å; L866-Y869 VanDerWaalsContact O-N 3.09Å; L866-L907 HydrophobicContact CD1-CD1 3.9Å; L866-F909 HydrophobicContact CD1-CE1 4.49Å; L866-L955 HydrophobicContact CB-CD2 4.35Å; L866-L955 HydrophobicContact CD1-CD2 3.49Å; L866-L955 VanDerWaalsContact CD1-CD2 3.49Å; L866-I1000 HydrophobicContact CD2-CG2 3.88Å; L866-I1000 HydrophobicContact CG-CG2 4.3Å
867S88.1Confident88.5Confident73 Ų7350.2 Ų50.251%0.5126%0.256SS..THydrogen-bonded Turntrans-60.1-16.4-174.568.40000115.6K863 Y869 K952K863-S867 WeakPolarHBondContact O-CA 3.42Å; K863-S867 PolarHBondContact O-N 2.92Å; S867-Y869 VanDerWaalsContact C-N 3.31Å; S867-K952 PolarHBondContact O-NZ 3.38Å
868Q86.1Confident86.7Confident58 Ų5852.6 Ų52.627%0.27127%0.265SS..THydrogen-bonded Turntrans-75.4-14.2176.767.6-84.226.200113.9L866 P916L866-Q868 PolarHBondContact O-N 2.96Å; Q868-P916 HydrophobicContact CB-CG 4.32Å; Q868-P916 HydrophobicContact CG-CG 4.09Å
869Y90Very high84.9Confident9 Ų955.4 Ų55.44%0.03529%0.285CS..SBendtrans-107.2154.8178.4-59.8-78.6000112.5L866 S867 V871 F909 P910 D915 P916 T917 P953 L955 R1004L866-Y869 HydrophobicContact CB-CD2 4.11Å; L866-Y869 HydrophobicContact CD2-CE2 4.42Å; L866-Y869 PolarHBondContact O-N 2.96Å; L866-Y869 VanDerWaalsContact O-N 3.09Å; S867-Y869 VanDerWaalsContact C-N 3.31Å; Y869-V871 PolarHBondContact O-N 2.87Å; Y869-F909 HydrophobicContact CE2-CE1 4.42Å; Y869-P910 HydrophobicContact CD1-CG 4.28Å; Y869-P910 HydrophobicContact CE1-CG 3.75Å; Y869-D915 PolarHBondContact OH-OD1 2.9Å; Y869-D915 PolarHBondContact OH-OD2 2.96Å; Y869-P916 HydrophobicContact CE1-CG 3.95Å; Y869-T917 PolarHBondContact OH-OG1 3.12Å; Y869-P953 HydrophobicContact CD1-CG 4.02Å; Y869-P953 HydrophobicContact CE1-CG 4.22Å; Y869-L955 HydrophobicContact CD1-CB 4.18Å; Y869-L955 HydrophobicContact CD2-CB 4.49Å; Y869-L955 HydrophobicContact CD2-CD2 4.26Å; Y869-L955 HydrophobicContact CG-CB 3.84Å; Y869-L955 HydrophobicContact CG-CD2 4.41Å; Y869-R1004 PolarHBondContact OH-NH1 2.79Å
870N89.8Confident82.8Confident84 Ų8462 Ų6245%0.44931%0.308SS..EExtended strand (participates in β ladder)trans-83.4100.7159.1-175.214.2000108.7Q872 K952 P953 T954 L955N870-Q872 PolarHBondContact O-N 3.35Å; N870-K952 HydrophobicContact CB-CB 4.34Å; N870-P953 PolarHBondContact N-O 2.94Å; N870-T954 WeakPolarHBondContact O-CA 3.46Å; N870-L955 PolarHBondContact O-N 3.13Å
871V91.2Very high80.7Confident16 Ų1664.9 Ų64.910%0.09732%0.319CS..EExtended strand (participates in β ladder)trans-77.8106.6-177-170.20000110.2L862 K863 Y869 F873 L955 A957L862-V871 HydrophobicContact CD2-CG1 3.96Å; L862-V871 HydrophobicContact CG-CG1 4.38Å; K863-V871 HydrophobicContact CG-CB 4.4Å; K863-V871 HydrophobicContact CG-CG2 4.44Å; Y869-V871 PolarHBondContact O-N 2.87Å; V871-F873 HydrophobicContact CB-CE2 3.86Å; V871-F873 HydrophobicContact CB-CZ 4.45Å; V871-F873 HydrophobicContact CG1-CD2 3.98Å; V871-F873 HydrophobicContact CG1-CE1 4.43Å; V871-F873 HydrophobicContact CG1-CE2 3.41Å; V871-F873 VanDerWaalsContact CG1-CE2 3.41Å; V871-F873 HydrophobicContact CG1-CZ 3.7Å; V871-F873 WeakPolarHBondContact O-CD2 3.48Å; V871-L955 CarbonylContact C-O 3.56Å; V871-L955 WeakPolarHBondContact CA-O 3.35Å; V871-L955 HydrophobicContact CG2-CD2 4.15Å; V871-A957 HydrophobicContact CG1-CB 3.9Å
872Q90.4Very high77.9Confident91 Ų9174.5 Ų74.543%0.42536%0.355SS..EExtended strand (participates in β ladder)trans-88.9114.7171.1-75.2-176.48.900109.9N870 T954 L955 I956 A957N870-Q872 PolarHBondContact O-N 3.35Å; Q872-T954 HydrophobicContact CB-CG2 3.97Å; Q872-T954 HydrophobicContact CG-CG2 3.61Å; Q872-L955 PolarHBondContact N-O 3.4Å; Q872-I956 WeakPolarHBondContact O-CA 3.24Å; Q872-A957 PolarHBondContact O-N 3.17Å
873F90.6Very high75.1Confident36 Ų3684 Ų8416%0.15840%0.396CS..EExtended strand (participates in β ladder)trans-85.1121.6176.9-70.6-97.1000109.4P859 L862 K863 V871 L900 P901 Y905 A957P859-F873 HydrophobicContact CB-CE1 3.87Å; P859-F873 HydrophobicContact CB-CZ 4Å; L862-F873 HydrophobicContact CD2-CE1 3.85Å; L862-F873 HydrophobicContact CD2-CZ 3.92Å; K863-F873 HydrophobicContact CD-CE2 4.21Å; K863-F873 HydrophobicContact CG-CE2 3.98Å; K863-F873 HydrophobicContact CG-CZ 4.06Å; V871-F873 HydrophobicContact CB-CE2 3.86Å; V871-F873 HydrophobicContact CB-CZ 4.45Å; V871-F873 HydrophobicContact CG1-CD2 3.98Å; V871-F873 HydrophobicContact CG1-CE1 4.43Å; V871-F873 HydrophobicContact CG1-CE2 3.41Å; V871-F873 VanDerWaalsContact CG1-CE2 3.41Å; V871-F873 HydrophobicContact CG1-CZ 3.7Å; V871-F873 WeakPolarHBondContact O-CD2 3.48Å; F873-L900 HydrophobicContact CB-CD2 4.24Å; F873-L900 HydrophobicContact CD2-CD2 3.67Å; F873-L900 HydrophobicContact CE2-CD2 4.23Å; F873-L900 HydrophobicContact CG-CD2 3.95Å; F873-P901 HydrophobicContact CB-CG 3.64Å; F873-P901 HydrophobicContact CD1-CG 3.97Å; F873-P901 HydrophobicContact CG-CG 4.22Å; F873-Y905 HydrophobicContact CD1-CE1 4.15Å; F873-Y905 HydrophobicContact CE1-CE1 4.04Å; F873-A957 HydrophobicContact CD1-CB 4.08Å; F873-A957 HydrophobicContact CE1-CB 4.23Å
874T87.1Confident72.8Confident53 Ų5384.7 Ų84.733%0.32541%0.412SS..EExtended strand (participates in β ladder)trans-113.5117.7173.552.10000108.1K876 I956 A957 E958 A959T874-K876 PolarHBondContact O-N 3.41Å; T874-I956 HydrophobicContact CG2-CG2 3.83Å; T874-I956 WeakPolarHBondContact OG1-CG2 3.45Å; T874-A957 PolarHBondContact N-O 3.19Å; T874-A957 PolarHBondContact OG1-O 3.43Å; T874-E958 WeakPolarHBondContact O-CA 3.48Å; T874-E958 WeakPolarHBondContact OG1-CA 3.45Å; T874-A959 PolarHBondContact O-N 3.02Å
875D83.1Confident70.1Confident38 Ų3884.2 Ų84.220%0.20342%0.417CS..EExtended strand (participates in β ladder)trans-93.497.9179.4-164.14.8000110.3R877 Q878 P901D875-R877 PolarHBondContact O-N 2.93Å; D875-R877 VanDerWaalsContact O-N 3.14Å; D875-R877 WeakPolarHBondContact OD1-CB 3.25Å; D875-R877 WeakPolarHBondContact OD1-CD 3.21Å; D875-R877 WeakPolarHBondContact OD1-CG 3.44Å; D875-R877 IonicContact OD1-CZ 3.9Å; D875-R877 PolarHBondContact OD1-N 3.01Å; D875-R877 VanDerWaalsContact OD1-N 3.16Å; D875-R877 IonicContact OD1-NE 3.38Å; D875-R877 PolarHBondContact OD1-NE 3.24Å; D875-R877 IonicContact OD1-NH2 3.96Å; D875-R877 IonicContact OD2-NE 2.94Å; D875-Q878 HydrophobicContact CB-CG 4.22Å; D875-Q878 PolarHBondContact O-N 3.05Å; D875-Q878 VanDerWaalsContact O-N 3.09Å; D875-Q878 PolarHBondContact OD2-NE2 3.33Å; D875-P901 HydrophobicContact CB-CB 3.89Å; D875-P901 HydrophobicContact CB-CG 4.09Å
876K76.2Confident67Low96 Ų9689.4 Ų89.442%0.41745%0.452SS..THydrogen-bonded Turntrans-66.4-11.8174.8-78.6-171.9173.7165.90112.7T874 Q878 E958 A959T874-K876 PolarHBondContact O-N 3.41Å; K876-Q878 VanDerWaalsContact C-N 3.3Å; K876-E958 VanDerWaalsContact CE-OE1 3.27Å; K876-E958 WeakPolarHBondContact CE-OE1 3.3Å; K876-E958 IonicContact NZ-OE1 2.72Å; K876-E958 PolarHBondContact NZ-OE1 2.9Å; K876-E958 IonicContact NZ-OE2 2.78Å; K876-E958 PolarHBondContact NZ-OE2 3.14Å; K876-A959 PolarHBondContact N-O 2.86Å
877R71.2Confident64.1Low64 Ų6497.4 Ų97.424%0.24249%0.489CS..THydrogen-bonded Turntrans-66.5-33.2172.1-53177.7-88.2-152.7-14111.2D875 P901 G902 D961D875-R877 PolarHBondContact O-N 2.93Å; D875-R877 VanDerWaalsContact O-N 3.14Å; D875-R877 WeakPolarHBondContact OD1-CB 3.25Å; D875-R877 WeakPolarHBondContact OD1-CD 3.21Å; D875-R877 WeakPolarHBondContact OD1-CG 3.44Å; D875-R877 IonicContact OD1-CZ 3.9Å; D875-R877 PolarHBondContact OD1-N 3.01Å; D875-R877 VanDerWaalsContact OD1-N 3.16Å; D875-R877 IonicContact OD1-NE 3.38Å; D875-R877 PolarHBondContact OD1-NE 3.24Å; D875-R877 IonicContact OD1-NH2 3.96Å; D875-R877 IonicContact OD2-NE 2.94Å; R877-P901 VanDerWaalsContact NH2-CB 3.29Å; R877-G902 PolarHBondContact NH2-O 3.33Å; R877-D961 WeakPolarHBondContact CD-OD1 3.23Å; R877-D961 WeakPolarHBondContact CG-OD1 3.36Å; R877-D961 WeakPolarHBondContact CG-OD2 3.45Å
878Q53.9Low61.3Low120 Ų120100.6 Ų100.656%0.56151%0.506SS*.THydrogen-bonded Turntrans-87.3-26.5-176.4-65.7-173.224.300114.9D875 K876 R880 K881 W882D875-Q878 HydrophobicContact CB-CG 4.22Å; D875-Q878 PolarHBondContact O-N 3.05Å; D875-Q878 VanDerWaalsContact O-N 3.09Å; D875-Q878 PolarHBondContact OD2-NE2 3.33Å; K876-Q878 VanDerWaalsContact C-N 3.3Å; Q878-R880 PolarHBondContact O-N 3.16Å; Q878-K881 PolarHBondContact O-N 3.32Å; Q878-W882 PolarHBondContact O-N 2.93Å
879S51.4Low58.5Low92 Ų92106.7 Ų106.764%0.64353%0.534SS*.THydrogen-bonded Turntrans-57.3-22.1174.8-176.90000112.6
880R47.7Very low55.6Low151 Ų151114 Ų11457%0.5757%0.573SS**THydrogen-bonded Turntrans-76.8-28.9172-72176.7165.7174.6-5.1114.2Q878 L1233Q878-R880 PolarHBondContact O-N 3.16Å; R880-L1233 HydrophobicContact CB-CD2 4.36Å; R880-L1233 HydrophobicContact CG-CD2 4.12Å
881K45.8Very low52.6Low161 Ų161114.4 Ų114.470%0.758%0.582SS**THydrogen-bonded Turntrans-84.2-27.2-176.6-69.5-172.5176.5-177.50114Q878 K883 S884Q878-K881 PolarHBondContact O-N 3.32Å; K881-K883 PolarHBondContact O-N 3.46Å; K881-S884 PolarHBondContact O-N 2.75Å; K881-S884 PolarHBondContact O-OG 3.12Å
882W34Very low49.5Very low220 Ų220120.3 Ų120.383%0.83361%0.613SS**G310 helixtrans-75.6-19-176.3-160.1-90.5000114.3Q878 S884Q878-W882 PolarHBondContact O-N 2.93Å; W882-S884 VanDerWaalsContact C-N 3.31Å; W882-S884 PolarHBondContact O-N 2.83Å
883K35.1Very low46.6Very low199 Ų199122.8 Ų122.887%0.86563%0.627SS**G310 helixtrans-76.2-14.6175.4-80.5-172.1175.6-174.80113.9K881K881-K883 PolarHBondContact O-N 3.46Å
884S44.6Very low43.7Very low98 Ų98127.3 Ų127.369%0.68566%0.658SS**G310 helixtrans-107.38.8-174.963.10000114.7K881 W882K881-S884 PolarHBondContact O-N 2.75Å; K881-S884 PolarHBondContact O-OG 3.12Å; W882-S884 VanDerWaalsContact C-N 3.31Å; W882-S884 PolarHBondContact O-N 2.83Å
885S33.9Very low41.1Very low103 Ų103132 Ų13272%0.7268%0.682SS**  trans-136.775-179.2-1270000111.9
886C26Very low39.2Very low115 Ų115136.1 Ų136.178%0.77771%0.71SS**  trans-116131.3157.2-80.70000107.8
887Q30Very low37.6Very low168 Ų168137 Ų13779%0.78572%0.724SS**  trans88.176.5177.1-54.8-179.123.600116.2
888T29.2Very low36.9Very low140 Ų140141.9 Ų141.986%0.85975%0.754SS**  -144.9120.8127.4-33.80000108.3I890T888-I890 PolarHBondContact O-N 3.02Å
889E27.4Very low37.4Very low186 Ų186144.2 Ų144.287%0.86977%0.765SS**  trans-58.7129.8167.7-63.5173.3166.400108.7
890I29.2Very low38.9Very low164 Ų164142.8 Ų142.884%0.84175%0.75SS**  trans-167.9124.3138.5-90.1146.9000107.2T888T888-I890 PolarHBondContact O-N 3.02Å
891S26.1Very low40.5Very low91 Ų91136.4 Ų136.464%0.63673%0.728SS**  trans-57155.8165.243.60000113.1
892D27.3Very low42.3Very low141 Ų141129.9 Ų129.975%0.75471%0.707SS**  trans94.8108.8155.7-65.8-15.4000119.7
893I27.9Very low44.7Very low142 Ų142121.5 Ų121.573%0.72868%0.68SS**  trans100.9116.7131.6-62.8163.1000118.8
894T29.7Very low47.3Very low131 Ų131113.1 Ų113.180%0.80465%0.646SS**  trans8712715150.90000122
895D34Very low49.5Very low153 Ų153108.5 Ų108.582%0.81861%0.614SS**  trans-34.2128.8179-76.6-48.2000116.5T897D895-T897 PolarHBondContact O-N 2.77Å; D895-T897 VanDerWaalsContact O-N 3.15Å
896P43Very low52.4Low124 Ų124108 Ų10881%0.80560%0.596SS**  trans-71110.7168.527.7-29.2000110.2N898P896-N898 PolarHBondContact O-N 3.23Å
897T43.2Very low55.6Low114 Ų114102.6 Ų102.670%0.69956%0.559SS**  trans-43.8127.3173.149.40000113.3D895 H899D895-T897 PolarHBondContact O-N 2.77Å; D895-T897 VanDerWaalsContact O-N 3.15Å; T897-H899 VanDerWaalsContact C-N 3.29Å; T897-H899 PolarHBondContact O-N 2.85Å
898N54.6Low58.6Low166 Ų16696.4 Ų96.489%0.88853%0.531SS*.  trans-63.253.7-172.6-122.8-11.6000115.9P896 L900P896-N898 PolarHBondContact O-N 3.23Å; N898-L900 PolarHBondContact O-N 3.33Å
899H66Low61.6Low169 Ų16989.8 Ų89.878%0.78249%0.491SS*.  trans-79.4110175.6-81.7-70.4000111.8T897T897-H899 VanDerWaalsContact C-N 3.29Å; T897-H899 PolarHBondContact O-N 2.85Å
900L81.4Confident64.6Low62 Ų6281.6 Ų81.633%0.32545%0.454SS..PPolyproline II helixtrans-70.3143175.1-67.3159.4000111.1P859 F873 N898 G902P859-L900 HydrophobicContact CB-CB 3.93Å; P859-L900 HydrophobicContact CB-CD1 4.28Å; P859-L900 HydrophobicContact CG-CB 4.09Å; F873-L900 HydrophobicContact CB-CD2 4.24Å; F873-L900 HydrophobicContact CD2-CD2 3.67Å; F873-L900 HydrophobicContact CE2-CD2 4.23Å; F873-L900 HydrophobicContact CG-CD2 3.95Å; N898-L900 PolarHBondContact O-N 3.33Å; L900-G902 PolarHBondContact O-N 3.22Å
901P82.1Confident67.3Low18 Ų1880.2 Ų80.212%0.11744%0.442CS..PPolyproline II helixtrans-71.2129-178.328.8-33.9000111.5F873 D875 R877 Y905 A959F873-P901 HydrophobicContact CB-CG 3.64Å; F873-P901 HydrophobicContact CD1-CG 3.97Å; F873-P901 HydrophobicContact CG-CG 4.22Å; D875-P901 HydrophobicContact CB-CB 3.89Å; D875-P901 HydrophobicContact CB-CG 4.09Å; R877-P901 VanDerWaalsContact NH2-CB 3.29Å; P901-Y905 VanDerWaalsContact O-CE1 3.32Å; P901-Y905 WeakPolarHBondContact O-CE1 3.34Å; P901-Y905 PolarHBondContact O-OH 3.31Å; P901-A959 HydrophobicContact CB-CB 3.72Å; P901-A959 HydrophobicContact CG-CB 4.14Å
902G83.1Confident70Confident24 Ų2476.9 Ų76.925%0.24742%0.417CS..PPolyproline II helixtrans-72.1167.2178.700000114.7R877 L900 Y905R877-G902 PolarHBondContact NH2-O 3.33Å; L900-G902 PolarHBondContact O-N 3.22Å; G902-Y905 VanDerWaalsContact C-OH 3.24Å; G902-Y905 WeakPolarHBondContact CA-OH 3.31Å
903P85.6Confident72.5Confident43 Ų4374 Ų7428%0.27942%0.42SS..SBendtrans-62167.3177.926.7-35000112.8F856 Y905F856-P903 WeakPolarHBondContact O-CB 3.48Å; F856-P903 WeakPolarHBondContact O-CG 3.43Å; P903-Y905 HydrophobicContact CB-CD2 3.89Å; P903-Y905 HydrophobicContact CB-CE2 3.61Å; P903-Y905 WeakPolarHBondContact CD-OH 3.5Å; P903-Y905 HydrophobicContact CG-CE2 4.29Å; P903-Y905 VanDerWaalsContact N-CZ 3.35Å
904P88.1Confident75Confident24 Ų2472.4 Ų72.416%0.15641%0.413CS..PPolyproline II helixcis-76.51593.832.2-36.6000113.7L853 Y960L853-P904 WeakPolarHBondContact O-CA 3.42Å; L853-P904 VanDerWaalsContact O-CB 3.27Å; L853-P904 WeakPolarHBondContact O-CB 3.29Å; P904-Y960 HydrophobicContact CB-CE1 3.95Å; P904-Y960 HydrophobicContact CG-CD1 4.38Å; P904-Y960 HydrophobicContact CG-CE1 3.86Å; P904-Y960 HydrophobicContact CG-CE2 4.01Å
905Y92.5Very high77.3Confident1 Ų166.6 Ų66.60%0.00438%0.377CS..EExtended strand (participates in β ladder)trans-121.2138.1-175.9-59.6-63.2000113.3N851 W852 F856 P859 L862 F873 P901 G902 P903 A957 A959N851-Y905 PolarHBondContact OD1-O 3.11Å; W852-Y905 PolarHBondContact N-O 3.14Å; F856-Y905 HydrophobicContact CB-CD2 4.06Å; F856-Y905 HydrophobicContact CB-CE2 4.23Å; F856-Y905 HydrophobicContact CD2-CD2 4.37Å; P859-Y905 WeakPolarHBondContact CA-OH 3.32Å; P859-Y905 WeakPolarHBondContact CG-OH 3.45Å; L862-Y905 HydrophobicContact CB-CE2 4.45Å; L862-Y905 HydrophobicContact CD2-CD2 4.02Å; L862-Y905 HydrophobicContact CD2-CE2 4.13Å; L862-Y905 HydrophobicContact CD2-CG 4.27Å; F873-Y905 HydrophobicContact CD1-CE1 4.15Å; F873-Y905 HydrophobicContact CE1-CE1 4.04Å; P901-Y905 VanDerWaalsContact O-CE1 3.32Å; P901-Y905 WeakPolarHBondContact O-CE1 3.34Å; P901-Y905 PolarHBondContact O-OH 3.31Å; G902-Y905 VanDerWaalsContact C-OH 3.24Å; G902-Y905 WeakPolarHBondContact CA-OH 3.31Å; P903-Y905 HydrophobicContact CB-CD2 3.89Å; P903-Y905 HydrophobicContact CB-CE2 3.61Å; P903-Y905 WeakPolarHBondContact CD-OH 3.5Å; P903-Y905 HydrophobicContact CG-CE2 4.29Å; P903-Y905 VanDerWaalsContact N-CZ 3.35Å; Y905-A957 HydrophobicContact CD1-CB 4.29Å; Y905-A959 HydrophobicContact CD1-CB 4.07Å; Y905-A959 HydrophobicContact CE1-CB 3.97Å
906R93.1Very high78.9Confident93 Ų9362.7 Ų62.735%0.35136%0.36SS..EExtended strand (participates in β ladder)trans-100.7123157-66.6175-175-174.40.2108.3Q850 N851 E958 Y960Q850-R906 CarbonylContact O-C 3.54Å; Q850-R906 WeakPolarHBondContact O-CA 3.5Å; N851-R906 HydrophobicContact CB-CG 4.08Å; R906-E958 HydrophobicContact CB-CB 4.25Å; R906-E958 PolarHBondContact N-O 2.83Å; R906-E958 PolarHBondContact O-N 3.26Å; R906-Y960 HydrophobicContact CG-CD1 3.95Å; R906-Y960 HydrophobicContact CG-CE1 3.73Å
907L94.1Very high80Confident0 Ų057.8 Ų57.80%033%0.328CS..EExtended strand (participates in β ladder)trans-96.5135.5-179.8-58.8-170.9000109.9R849 Q850 W852 F856 L862 L866 F909 L955 I956 A957R849-L907 WeakPolarHBondContact CA-O 3.39Å; Q850-L907 PolarHBondContact N-O 3.44Å; Q850-L907 PolarHBondContact O-N 3.15Å; W852-L907 HydrophobicContact CD2-CD1 3.9Å; W852-L907 HydrophobicContact CG-CD1 3.89Å; W852-L907 HydrophobicContact CG-CG 3.99Å; W852-L907 HydrophobicContact CZ2-CD1 4.4Å; F856-L907 HydrophobicContact CE2-CD1 3.83Å; F856-L907 HydrophobicContact CZ-CD1 4.28Å; L862-L907 HydrophobicContact CD1-CD1 4.03Å; L862-L907 HydrophobicContact CD1-CD2 4.07Å; L862-L907 HydrophobicContact CD2-CD2 4.11Å; L866-L907 HydrophobicContact CD1-CD1 3.9Å; L907-F909 HydrophobicContact CB-CE2 4.09Å; L907-F909 HydrophobicContact CB-CZ 4.37Å; L907-F909 HydrophobicContact CD1-CE2 4.49Å; L907-F909 HydrophobicContact CD1-CZ 4.05Å; L907-L955 HydrophobicContact CB-CD1 4.38Å; L907-I956 WeakPolarHBondContact CA-O 3.21Å; L907-A957 HydrophobicContact CD2-CB 3.89Å
908I93.8Very high80.8Confident38 Ų3853.2 Ų53.220%0.19530%0.301CS..EExtended strand (participates in β ladder)trans-115.499.9170.2-53.9169.1000107.1Q848 R849 L955 I956 E958Q848-I908 CarbonylContact O-C 3.53Å; Q848-I908 WeakPolarHBondContact O-CA 3.37Å; R849-I908 HydrophobicContact CB-CG1 4.31Å; R849-I908 HydrophobicContact CG-CG1 3.96Å; I908-L955 WeakPolarHBondContact O-CD1 3.43Å; I908-I956 HydrophobicContact CB-CB 4.18Å; I908-I956 HydrophobicContact CD1-CB 4.47Å; I908-I956 HydrophobicContact CD1-CG2 4.48Å; I908-I956 PolarHBondContact N-O 3.06Å; I908-I956 PolarHBondContact O-N 2.95Å; I908-E958 HydrophobicContact CD1-CG 4.13Å
909F92.1Very high81.2Confident1 Ų153.9 Ų53.90%0.00430%0.297CS..PPolyproline II helixtrans-69.6151.9175.1-68.3-79.2000111Y846 Q848 W852 L866 Y869 L907 L955 R1004Y846-F909 WeakPolarHBondContact OH-CB 3.47Å; Q848-F909 PolarHBondContact O-N 3.11Å; W852-F909 AromaticContact CZ2-CE2 3.98Å; W852-F909 HydrophobicContact CZ2-CE2 3.98Å; W852-F909 AromaticContact CZ2-CZ 3.75Å; W852-F909 HydrophobicContact CZ2-CZ 3.75Å; W852-F909 AromaticContact NE1-CE2 3.85Å; L866-F909 HydrophobicContact CD1-CE1 4.49Å; Y869-F909 HydrophobicContact CE2-CE1 4.42Å; L907-F909 HydrophobicContact CB-CE2 4.09Å; L907-F909 HydrophobicContact CB-CZ 4.37Å; L907-F909 HydrophobicContact CD1-CE2 4.49Å; L907-F909 HydrophobicContact CD1-CZ 4.05Å; F909-L955 HydrophobicContact CB-CD1 4.45Å; F909-L955 HydrophobicContact CD1-CD1 3.47Å; F909-L955 VanDerWaalsContact CD1-CD1 3.47Å; F909-L955 HydrophobicContact CE1-CD1 3.75Å; F909-L955 HydrophobicContact CG-CD1 3.95Å; F909-L955 HydrophobicContact CZ-CD1 4.44Å; F909-R1004 VanDerWaalsContact CD1-CZ 3.43Å; F909-R1004 VanDerWaalsContact CE1-CZ 3.44Å; F909-R1004 HydrophobicContact CZ-CG 4.27Å
910P89.7Confident81.7Confident15 Ų1547.7 Ų47.710%0.09727%0.271CS..PPolyproline II helixtrans-61.2163.6172.326.5-34.1000111.3Y869 D914 D915 P953Y869-P910 HydrophobicContact CD1-CG 4.28Å; Y869-P910 HydrophobicContact CE1-CG 3.75Å; P910-D914 HydrophobicContact CB-CB 4.29Å; P910-D915 HydrophobicContact CG-CB 3.98Å; P910-P953 HydrophobicContact CB-CB 4.34Å; P910-P953 HydrophobicContact CG-CB 4.22Å
911K86Confident81.5Confident135 Ų13551.7 Ų51.759%0.58729%0.288SS*.PPolyproline II helixtrans-57.6146.3169.8-70.3-178.1-179.8178.10109.1G913 D914 D915K911-G913 PolarHBondContact O-N 3.22Å; K911-G913 VanDerWaalsContact O-N 3.07Å; K911-D914 PolarHBondContact O-N 3.22Å; K911-D915 PolarHBondContact O-N 2.94Å
912L82.3Confident81Confident21 Ų2151.6 Ų51.611%0.1129%0.288CS..G310 helixtrans-55-33.8-176.5-163.964.2000112.7T840 Y846 D914 D915 A918T840-L912 WeakPolarHBondContact O-CD2 3.4Å; Y846-L912 HydrophobicContact CD1-CB 4.04Å; Y846-L912 HydrophobicContact CD2-CD1 4.2Å; Y846-L912 HydrophobicContact CE1-CB 4.23Å; Y846-L912 HydrophobicContact CE1-CD1 4.44Å; Y846-L912 HydrophobicContact CE2-CD1 4.14Å; Y846-L912 HydrophobicContact CG-CB 4.47Å; Y846-L912 HydrophobicContact CG-CD1 4.38Å; L912-D914 VanDerWaalsContact C-N 3.26Å; L912-D914 PolarHBondContact O-N 3.07Å; L912-D915 PolarHBondContact O-N 3.02Å; L912-A918 HydrophobicContact CD1-CB 3.72Å; L912-A918 HydrophobicContact CG-CB 3.89Å; L912-A918 WeakPolarHBondContact O-CB 3.47Å
913G79.5Confident80.1Confident80 Ų8055.3 Ų55.383%0.82530%0.301SS*.G310 helixtrans-63.9-25.4175.100000115.5K911K911-G913 PolarHBondContact O-N 3.22Å; K911-G913 VanDerWaalsContact O-N 3.07Å
914D81.2Confident78.8Confident109 Ų10956.3 Ų56.358%0.58330%0.303SS*.G310 helixtrans-102.9-3.8-177.1-55.7-41.1000112.3P910 K911 L912 P953P910-D914 HydrophobicContact CB-CB 4.29Å; K911-D914 PolarHBondContact O-N 3.22Å; L912-D914 VanDerWaalsContact C-N 3.26Å; L912-D914 PolarHBondContact O-N 3.07Å; D914-P953 WeakPolarHBondContact O-CG 3.34Å
915D77.5Confident77.1Confident8 Ų858 Ų584%0.04331%0.314CS..  trans-86.5125.2-174.1-168.5-27.9000111.2Y846 Y869 P910 K911 L912 T917 A918 R1004Y846-D915 PolarHBondContact OH-OD2 3.5Å; Y869-D915 PolarHBondContact OH-OD1 2.9Å; Y869-D915 PolarHBondContact OH-OD2 2.96Å; P910-D915 HydrophobicContact CG-CB 3.98Å; K911-D915 PolarHBondContact O-N 2.94Å; L912-D915 PolarHBondContact O-N 3.02Å; D915-T917 PolarHBondContact O-N 2.82Å; D915-T917 VanDerWaalsContact O-N 3.14Å; D915-T917 WeakPolarHBondContact OD1-CB 3.49Å; D915-T917 PolarHBondContact OD1-N 3.48Å; D915-T917 PolarHBondContact OD1-OG1 3Å; D915-T917 PolarHBondContact OD2-OG1 2.98Å; D915-A918 HydrophobicContact CB-CB 4.12Å; D915-A918 WeakPolarHBondContact O-CB 3.47Å; D915-A918 PolarHBondContact O-N 2.66Å; D915-R1004 IonicContact OD2-CZ 2.92Å; D915-R1004 IonicContact OD2-NH1 3.75Å; D915-R1004 IonicContact OD2-NH2 4Å; D915-R1004 PolarHBondContact OD2-NH2 3.34Å
916P67.6Low74.8Confident72 Ų7262.7 Ų62.747%0.46835%0.347SS..G310 helixtrans-59.5-25.6176.625.4-37.8000112.7Q868 Y869 A918 P953Q868-P916 HydrophobicContact CB-CG 4.32Å; Q868-P916 HydrophobicContact CG-CG 4.09Å; Y869-P916 HydrophobicContact CE1-CG 3.95Å; P916-A918 VanDerWaalsContact C-N 3.31Å; P916-P953 HydrophobicContact CG-CG 4.16Å
917T66.5Low72.6Confident21 Ų2161.6 Ų61.613%0.12935%0.348CS..G310 helixtrans-81.1-6.3176.361.60000113.2Y839 T840 Y869 D915 K919 V920 R1004Y839-T917 PolarHBondContact OH-OG1 3.06Å; T840-T917 WeakPolarHBondContact CG2-O 3.36Å; Y869-T917 PolarHBondContact OH-OG1 3.12Å; D915-T917 PolarHBondContact O-N 2.82Å; D915-T917 VanDerWaalsContact O-N 3.14Å; D915-T917 WeakPolarHBondContact OD1-CB 3.49Å; D915-T917 PolarHBondContact OD1-N 3.48Å; D915-T917 PolarHBondContact OD1-OG1 3Å; D915-T917 PolarHBondContact OD2-OG1 2.98Å; T917-K919 VanDerWaalsContact C-N 3.29Å; T917-K919 PolarHBondContact O-N 3.39Å; T917-V920 WeakPolarHBondContact O-CG2 3.36Å; T917-R1004 PolarHBondContact OG1-NH1 2.9Å
918A59.4Low70.4Confident17 Ų1763.1 Ų63.114%0.1436%0.355CS..G310 helixtrans-72.6-14.8-172.100000116T840 L912 D915 P916T840-A918 WeakPolarHBondContact CB-O 3.49Å; L912-A918 HydrophobicContact CD1-CB 3.72Å; L912-A918 HydrophobicContact CG-CB 3.89Å; L912-A918 WeakPolarHBondContact O-CB 3.47Å; D915-A918 HydrophobicContact CB-CB 4.12Å; D915-A918 WeakPolarHBondContact O-CB 3.47Å; D915-A918 PolarHBondContact O-N 2.66Å; P916-A918 VanDerWaalsContact C-N 3.31Å
919K64.7Low67.7Low181 Ų18166.1 Ų66.179%0.78737%0.371SS*.  trans-107.759.6175.8-67.3-171.4-179.3-178.80110.7T917 E921T917-K919 VanDerWaalsContact C-N 3.29Å; T917-K919 PolarHBondContact O-N 3.39Å; K919-E921 PolarHBondContact O-N 3.12Å; K919-E921 VanDerWaalsContact O-N 3.15Å
920V75.5Confident65Low39 Ų3972.5 Ų72.524%0.23640%0.404CS..  trans-72.1105.1161.7176.60000107T840 H841 T917 P1375T840-V920 HydrophobicContact CG2-CB 4.25Å; T840-V920 HydrophobicContact CG2-CG2 4.03Å; H841-V920 PolarHBondContact NE2-O 3.24Å; T917-V920 WeakPolarHBondContact O-CG2 3.36Å; V920-P1375 HydrophobicContact CG1-CB 3.31Å; V920-P1375 HydrophobicContact CG1-CG 3.41Å; V920-P1375 VanDerWaalsContact CG1-CG 3.41Å
921E76.4Confident62Low146 Ų14679.7 Ų79.768%0.68244%0.436SS*.  trans-81.6160.1172-63-175.6172.300109.6K919 M923K919-E921 PolarHBondContact O-N 3.12Å; K919-E921 VanDerWaalsContact O-N 3.15Å; E921-M923 PolarHBondContact O-N 3.44Å
922A72.9Confident59.1Low16 Ų1682.4 Ų82.413%0.13245%0.448CS..  trans-54.3135.3171.700000109.7P834 A835 I924 G1373P834-A922 HydrophobicContact CB-CB 3.73Å; P834-A922 HydrophobicContact CG-CB 3.83Å; A835-A922 HydrophobicContact CB-CB 4.35Å; A922-I924 HydrophobicContact CB-CD1 3.91Å; A922-I924 HydrophobicContact CB-CG1 3.43Å; A922-I924 VanDerWaalsContact CB-CG1 3.43Å; A922-I924 PolarHBondContact O-N 3.07Å; A922-G1373 CarbonylContact C-O 3.55Å; A922-G1373 WeakPolarHBondContact CA-O 3.33Å
923M63.2Low56.5Low102 Ų10288.9 Ų88.950%0.50248%0.477SS..  trans-74.160.1171.6-74.5-174.4153.700109.8E921 G1373 T1376E921-M923 PolarHBondContact O-N 3.44Å; M923-G1373 PolarHBondContact N-O 3.06Å; M923-G1373 WeakPolarHBondContact O-CA 3.34Å; M923-T1376 VanDerWaalsContact CE-O 3.27Å; M923-T1376 WeakPolarHBondContact CE-O 3.33Å; M923-T1376 HydrophobicContact SD-CG2 4.47Å; M923-T1376 PolarHBondContact SD-N 3.04Å; M923-T1376 PolarHBondContact SD-OG1 3.38Å
924I58.6Low53.9Low64 Ų6490.3 Ų90.333%0.32847%0.474SS..  trans-76.6130.1176.1-44.6-172.4000106.9A922 S926 M928A922-I924 HydrophobicContact CB-CD1 3.91Å; A922-I924 HydrophobicContact CB-CG1 3.43Å; A922-I924 VanDerWaalsContact CB-CG1 3.43Å; A922-I924 PolarHBondContact O-N 3.07Å; I924-S926 PolarHBondContact O-N 3.19Å; I924-M928 HydrophobicContact CB-CB 4.43Å; I924-M928 HydrophobicContact CG2-CB 3.16Å; I924-M928 HydrophobicContact CG2-CG 3.61Å; I924-M928 HydrophobicContact CG2-SD 3.06Å; I924-M928 WeakPolarHBondContact CG2-SD 3.32Å
925P51.9Low51.2Low59 Ų5990.3 Ų90.338%0.38348%0.478SS..  trans-48138.7172-27.433.7000110.1D927 M928P925-D927 PolarHBondContact O-N 3.18Å; P925-M928 WeakPolarHBondContact O-CB 3.49Å; P925-M928 PolarHBondContact O-N 3.05Å
926S46Very low48.7Very low100 Ų10094.5 Ų94.570%0.69951%0.508SS*.G310 helixtrans-50.3-25.9-178-56.30000112.8I924 M928 I929I924-S926 PolarHBondContact O-N 3.19Å; S926-M928 VanDerWaalsContact C-N 3.27Å; S926-M928 PolarHBondContact O-N 3.04Å; S926-I929 PolarHBondContact O-N 2.51Å
927D46.7Very low46.6Very low69 Ų6997 Ų9737%0.36953%0.527SS..G310 helixtrans-66.7-19.3177.6-48.7-31.5000115.1V118 P925V118-D927 HydrophobicContact CG1-CB 4.41Å; V118-D927 WeakPolarHBondContact CG1-OD1 3.44Å; V118-D927 VanDerWaalsContact CG1-OD2 3.23Å; V118-D927 WeakPolarHBondContact CG1-OD2 3.5Å; V118-D927 WeakPolarHBondContact CG2-OD2 3.26Å; P925-D927 PolarHBondContact O-N 3.18Å
928M46.6Very low44.7Very low32 Ų3299.8 Ų99.816%0.15855%0.553CS.*G310 helixtrans-95.6-16.7177.4-67.1-166146.500112.9A201 E202 R207 I924 P925 S926 I930A201-M928 WeakPolarHBondContact O-CE 3.47Å; E202-M928 WeakPolarHBondContact O-CE 3.41Å; R207-M928 PolarHBondContact NH2-SD 2.77Å; I924-M928 HydrophobicContact CB-CB 4.43Å; I924-M928 HydrophobicContact CG2-CB 3.16Å; I924-M928 HydrophobicContact CG2-CG 3.61Å; I924-M928 HydrophobicContact CG2-SD 3.06Å; I924-M928 WeakPolarHBondContact CG2-SD 3.32Å; P925-M928 WeakPolarHBondContact O-CB 3.49Å; P925-M928 PolarHBondContact O-N 3.05Å; S926-M928 VanDerWaalsContact C-N 3.27Å; S926-M928 PolarHBondContact O-N 3.04Å; M928-I930 PolarHBondContact O-N 2.83Å
929I37.3Very low43.1Very low102 Ų102106.3 Ų106.352%0.52359%0.585SS.*SBendtrans-73.8108.9177-58.3176.7000107S926 Q931S926-I929 PolarHBondContact O-N 2.51Å; I929-Q931 PolarHBondContact O-N 2.91Å
930I35.1Very low41.3Very low135 Ų135103.8 Ų103.869%0.69259%0.585SS**  trans-60.2109.3169.8-61.3169.4000106.6M928 K932M928-I930 PolarHBondContact O-N 2.83Å; I930-K932 VanDerWaalsContact C-N 3.27Å; I930-K932 PolarHBondContact O-N 3.44Å
931Q26.9Very low38.9Very low165 Ų165108.6 Ų108.677%0.77161%0.609SS**  trans-57102.9154.7-75.9-172.7-0.400105.5I929 H933I929-Q931 PolarHBondContact O-N 2.91Å; Q931-H933 VanDerWaalsContact C-N 3.29Å; Q931-H933 PolarHBondContact O-N 3.39Å
932K26.1Very low36.5Very low193 Ų193108.3 Ų108.384%0.83962%0.618SS**  trans-59.398175.8-79.5179.8178.7172.60107I930 S934I930-K932 VanDerWaalsContact C-N 3.27Å; I930-K932 PolarHBondContact O-N 3.44Å; K932-S934 PolarHBondContact O-N 3.23Å
933H26.3Very low34.3Very low157 Ų157111.8 Ų111.873%0.72764%0.641SS**  trans-57.697.5157.5-83.8-73.2000107.1Q931 T935Q931-H933 VanDerWaalsContact C-N 3.29Å; Q931-H933 PolarHBondContact O-N 3.39Å; H933-T935 PolarHBondContact O-N 2.97Å
934S25.8Very low32.6Very low110 Ų110113.3 Ų113.377%0.76965%0.651SS**  trans27.864.9136.655.70000115.3K932K932-S934 PolarHBondContact O-N 3.23Å
935T24.2Very low31.2Very low109 Ų109116.1 Ų116.167%0.66967%0.667SS**  trans-106.499.9161.148.80000108.5H933H933-T935 PolarHBondContact O-N 2.97Å
936S25.4Very low30.2Very low95 Ų95120.5 Ų120.566%0.66468%0.682SS**  trans4292.415558.50000115A938S936-A938 VanDerWaalsContact C-N 3.28Å; S936-A938 PolarHBondContact O-N 3.4Å
937S24.3Very low29.7Very low124 Ų124120.7 Ų120.787%0.86768%0.683SS**  trans-32.892.6145.241.50000111.3
938A25.6Very low29.4Very low81 Ų81125.8 Ų125.867%0.66970%0.702SS**  trans-97.195.8162.100000105.6S936 V940S936-A938 VanDerWaalsContact C-N 3.28Å; S936-A938 PolarHBondContact O-N 3.4Å; A938-V940 PolarHBondContact O-N 3.15Å
939N24.8Very low29.2Very low153 Ų153129.8 Ų129.882%0.81872%0.724SS**  trans24.869152-57-9.8000114.8
940V28.7Very low30Very low128 Ų128133.3 Ų133.378%0.77674%0.744SS**  trans-86.3111142.9176.70000102.7A938 T942A938-V940 PolarHBondContact O-N 3.15Å; V940-T942 VanDerWaalsContact C-N 3.35Å; V940-T942 PolarHBondContact O-N 3.2Å
941D25.3Very low31.8Very low141 Ų141134 Ų13475%0.75474%0.744SS**  trans-45.3101.8175.5-67.1-46.2000108.9S943D941-S943 PolarHBondContact O-N 3.34Å
942T25.2Very low34.4Very low140 Ų140132 Ų13286%0.85973%0.733SS**  trans-70.971.6159.842.30000105.9V940 D944V940-T942 VanDerWaalsContact C-N 3.35Å; V940-T942 PolarHBondContact O-N 3.2Å; T942-D944 PolarHBondContact O-N 2.93Å
943S27Very low37.2Very low88 Ų88124.3 Ų124.362%0.61570%0.703SS**  trans-63.9122.9151.749.40000106.4D941 N945D941-S943 PolarHBondContact O-N 3.34Å; S943-N945 PolarHBondContact O-N 2.91Å
944D26.7Very low40.3Very low135 Ų135119.5 Ų119.572%0.72268%0.684SS**  trans-25.497.4167.2-61.4-48.3000113.1T942T942-D944 PolarHBondContact O-N 2.93Å
945N30.4Very low43.4Very low123 Ų123114.2 Ų114.266%0.65865%0.648SS**  trans-11668.3153.7-86.5-43000107.1S943 S947S943-N945 PolarHBondContact O-N 2.91Å; N945-S947 PolarHBondContact O-N 3.38Å
946H30.7Very low46.7Very low151 Ų151111.5 Ų111.570%0.69963%0.628SS**  trans-42128.9146.8-79.6-78.3000109.6K948H946-K948 PolarHBondContact O-N 2.92Å
947S35.5Very low49.9Very low104 Ų104107 Ų10773%0.72760%0.597SS**  trans4377153.559.20000116.1N945 N949N945-S947 PolarHBondContact O-N 3.38Å; S947-N949 PolarHBondContact O-N 3.28Å
948K39.5Very low53.1Low176 Ų176102 Ų10277%0.76556%0.56SS**  trans-80.2112.8155.5-80.7-172175.4-176.70107.6H946H946-K948 PolarHBondContact O-N 2.92Å
949N42Very low56.2Low116 Ų11698.2 Ų98.262%0.6253%0.528SS*.  trans-42.2139.4179.1-67.7-17.7000112.9S947 E951S947-N949 PolarHBondContact O-N 3.28Å; N949-E951 HydrophobicContact CB-CB 4.47Å; N949-E951 HydrophobicContact CB-CG 3.94Å; N949-E951 PolarHBondContact ND2-OE1 2.93Å; N949-E951 PolarHBondContact O-N 3.17Å
950D55.5Low59.1Low175 Ų17592.4 Ų92.494%0.93650%0.495SS*.  trans-6446.1165-81.1-42.9000112.3K952D950-K952 PolarHBondContact O-N 3.41Å
951E72.2Confident61.4Low151 Ų15190.2 Ų90.271%0.70648%0.479SS*.  trans-79.6108.1176.3-81.8173.2-148.700109.5N949N949-E951 HydrophobicContact CB-CB 4.47Å; N949-E951 HydrophobicContact CB-CG 3.94Å; N949-E951 PolarHBondContact ND2-OE1 2.93Å; N949-E951 PolarHBondContact O-N 3.17Å
952K80.7Confident63.6Low123 Ų12387 Ų8754%0.53547%0.466SS..PPolyproline II helixtrans-56.9131.4171.3-66.5-176.2-179.9-174.20109.6S867 N870 D950S867-K952 PolarHBondContact O-NZ 3.38Å; N870-K952 HydrophobicContact CB-CB 4.34Å; D950-K952 PolarHBondContact O-N 3.41Å
953P86.1Confident65.6Low31 Ų3184.3 Ų84.320%0.20145%0.45CS..PPolyproline II helixtrans-66.6150.8179.422.4-26.3000111.3Y869 N870 P910 D914 P916Y869-P953 HydrophobicContact CD1-CG 4.02Å; Y869-P953 HydrophobicContact CE1-CG 4.22Å; N870-P953 PolarHBondContact N-O 2.94Å; P910-P953 HydrophobicContact CB-CB 4.34Å; P910-P953 HydrophobicContact CG-CB 4.22Å; D914-P953 WeakPolarHBondContact O-CG 3.34Å; P916-P953 HydrophobicContact CG-CG 4.16Å
954T90Very high67.5Low55 Ų5584.1 Ų84.134%0.33744%0.442SS..EExtended strand (participates in β ladder)trans-77.9122.9-177.3-61.20000111N870 Q872 I956N870-T954 WeakPolarHBondContact O-CA 3.46Å; Q872-T954 HydrophobicContact CB-CG2 3.97Å; Q872-T954 HydrophobicContact CG-CG2 3.61Å; T954-I956 HydrophobicContact CG2-CG1 4.18Å
955L92Very high69.4Low0 Ų084 Ų840%044%0.438CS..EExtended strand (participates in β ladder)trans-101.7123.8166.217673000108.2L866 Y869 N870 V871 Q872 L907 I908 F909L866-L955 HydrophobicContact CB-CD2 4.35Å; L866-L955 HydrophobicContact CD1-CD2 3.49Å; L866-L955 VanDerWaalsContact CD1-CD2 3.49Å; Y869-L955 HydrophobicContact CD1-CB 4.18Å; Y869-L955 HydrophobicContact CD2-CB 4.49Å; Y869-L955 HydrophobicContact CD2-CD2 4.26Å; Y869-L955 HydrophobicContact CG-CB 3.84Å; Y869-L955 HydrophobicContact CG-CD2 4.41Å; N870-L955 PolarHBondContact O-N 3.13Å; V871-L955 CarbonylContact C-O 3.56Å; V871-L955 WeakPolarHBondContact CA-O 3.35Å; V871-L955 HydrophobicContact CG2-CD2 4.15Å; Q872-L955 PolarHBondContact N-O 3.4Å; L907-L955 HydrophobicContact CB-CD1 4.38Å; I908-L955 WeakPolarHBondContact O-CD1 3.43Å; F909-L955 HydrophobicContact CB-CD1 4.45Å; F909-L955 HydrophobicContact CD1-CD1 3.47Å; F909-L955 VanDerWaalsContact CD1-CD1 3.47Å; F909-L955 HydrophobicContact CE1-CD1 3.75Å; F909-L955 HydrophobicContact CG-CD1 3.95Å; F909-L955 HydrophobicContact CZ-CD1 4.44Å
956I92.9Very high71.4Confident52 Ų5278.8 Ų78.827%0.26741%0.41SS..EExtended strand (participates in β ladder)trans-92.9118.3177.8-55.2169.5000108.9Q872 T874 L907 I908 T954 E958Q872-I956 WeakPolarHBondContact O-CA 3.24Å; T874-I956 HydrophobicContact CG2-CG2 3.83Å; T874-I956 WeakPolarHBondContact OG1-CG2 3.45Å; L907-I956 WeakPolarHBondContact CA-O 3.21Å; I908-I956 HydrophobicContact CB-CB 4.18Å; I908-I956 HydrophobicContact CD1-CB 4.47Å; I908-I956 HydrophobicContact CD1-CG2 4.48Å; I908-I956 PolarHBondContact N-O 3.06Å; I908-I956 PolarHBondContact O-N 2.95Å; T954-I956 HydrophobicContact CG2-CG1 4.18Å; I956-E958 HydrophobicContact CG2-CG 4.15Å
957A93.2Very high73.5Confident0 Ų073.3 Ų73.30%039%0.388CS..EExtended strand (participates in β ladder)trans-9899.9170.500000108.9L862 V871 Q872 F873 T874 Y905 L907 A959L862-A957 HydrophobicContact CD2-CB 3.63Å; V871-A957 HydrophobicContact CG1-CB 3.9Å; Q872-A957 PolarHBondContact O-N 3.17Å; F873-A957 HydrophobicContact CD1-CB 4.08Å; F873-A957 HydrophobicContact CE1-CB 4.23Å; T874-A957 PolarHBondContact N-O 3.19Å; T874-A957 PolarHBondContact OG1-O 3.43Å; Y905-A957 HydrophobicContact CD1-CB 4.29Å; L907-A957 HydrophobicContact CD2-CB 3.89Å; A957-A959 PolarHBondContact O-N 2.78Å
958E92Very high75.2Confident20 Ų2069.6 Ų69.69%0.09336%0.358CS..EExtended strand (participates in β ladder)trans-80.9106.7173.1-59.9-172.5153.600109R849 T874 K876 R906 I908 I956R849-E958 IonicContact CZ-OE2 3.69Å; R849-E958 IonicContact NE-OE2 3.83Å; R849-E958 IonicContact NH2-OE1 2.67Å; R849-E958 IonicContact NH2-OE2 3.38Å; R849-E958 PolarHBondContact NH2-OE2 3.07Å; T874-E958 WeakPolarHBondContact O-CA 3.48Å; T874-E958 WeakPolarHBondContact OG1-CA 3.45Å; K876-E958 VanDerWaalsContact CE-OE1 3.27Å; K876-E958 WeakPolarHBondContact CE-OE1 3.3Å; K876-E958 IonicContact NZ-OE1 2.72Å; K876-E958 PolarHBondContact NZ-OE1 2.9Å; K876-E958 IonicContact NZ-OE2 2.78Å; K876-E958 PolarHBondContact NZ-OE2 3.14Å; R906-E958 HydrophobicContact CB-CB 4.25Å; R906-E958 PolarHBondContact N-O 2.83Å; R906-E958 PolarHBondContact O-N 3.26Å; I908-E958 HydrophobicContact CD1-CG 4.13Å; I956-E958 HydrophobicContact CG2-CG 4.15Å
959A89.3Confident76.5Confident0 Ų064.9 Ų64.90%035%0.347CS..EExtended strand (participates in β ladder)trans-80.3136.6167.300000109.5T874 K876 P901 Y905 A957T874-A959 PolarHBondContact O-N 3.02Å; K876-A959 PolarHBondContact N-O 2.86Å; P901-A959 HydrophobicContact CB-CB 3.72Å; P901-A959 HydrophobicContact CG-CB 4.14Å; Y905-A959 HydrophobicContact CD1-CB 4.07Å; Y905-A959 HydrophobicContact CE1-CB 3.97Å; A957-A959 PolarHBondContact O-N 2.78Å
960Y85.9Confident77.6Confident32 Ų3262.7 Ų62.713%0.12534%0.335CS..  trans-137.5150.3-177.468.3-82.5000110.1N851 P904 R906N851-Y960 PolarHBondContact ND2-OH 3.4Å; N851-Y960 PolarHBondContact OD1-OH 3.27Å; P904-Y960 HydrophobicContact CB-CE1 3.95Å; P904-Y960 HydrophobicContact CG-CD1 4.38Å; P904-Y960 HydrophobicContact CG-CE1 3.86Å; P904-Y960 HydrophobicContact CG-CE2 4.01Å; R906-Y960 HydrophobicContact CG-CD1 3.95Å; R906-Y960 HydrophobicContact CG-CE1 3.73Å
961D77.2Confident78.1Confident81 Ų8154.6 Ų54.643%0.43329%0.292SS..PPolyproline II helixtrans-70.4124.7166.6-65.6-46.3000107.9R877R877-D961 WeakPolarHBondContact CD-OD1 3.23Å; R877-D961 WeakPolarHBondContact CG-OD1 3.36Å; R877-D961 WeakPolarHBondContact CG-OD2 3.45Å
962P71.7Confident77.7Confident74 Ų7449.7 Ų49.748%0.48127%0.272SS..PPolyproline II helixtrans-53.1149.216525.7-32.3000108.4L964P962-L964 PolarHBondContact O-N 2.94Å; P962-L964 VanDerWaalsContact O-N 3.09Å
963P67.5Low76.8Confident83 Ų8351.4 Ų51.454%0.53928%0.282SS..PPolyproline II helixtrans-50.5125.8179.320.1-30.8000109.6Q965P963-Q965 PolarHBondContact O-N 3.2Å
964L65.9Low75.4Confident84 Ų8450.7 Ų50.744%0.4428%0.279SS..PPolyproline II helixtrans-49125.5177.9-79.6162.7000108.6P962 A1237 A1241P962-L964 PolarHBondContact O-N 2.94Å; P962-L964 VanDerWaalsContact O-N 3.09Å; L964-A1237 HydrophobicContact CD1-CB 3.71Å; L964-A1241 WeakPolarHBondContact O-CB 3.4Å
965Q68.1Low73.8Confident134 Ų13450.8 Ų50.863%0.62629%0.291SS*.PPolyproline II helixtrans-90.1138.1173.7-68.9-165.6-11.700108.7P963P963-Q965 PolarHBondContact O-N 3.2Å
966P72.3Confident72.1Confident13 Ų1351.2 Ų51.28%0.08430%0.295CS..PPolyproline II helixtrans-54.2141.5169.3-26.937.9000110.8W968 A1241 Y1242P966-W968 HydrophobicContact CB-CD2 3.96Å; P966-W968 HydrophobicContact CB-CE3 4.33Å; P966-W968 HydrophobicContact CB-CH2 4.15Å; P966-W968 HydrophobicContact CB-CZ2 3.76Å; P966-W968 HydrophobicContact CB-CZ3 4.42Å; P966-W968 HydrophobicContact CG-CH2 4.13Å; P966-W968 HydrophobicContact CG-CZ2 3.58Å; P966-W968 PolarHBondContact O-N 3.1Å; P966-A1241 HydrophobicContact CG-CB 4.1Å; P966-Y1242 HydrophobicContact CB-CD1 3.85Å; P966-Y1242 HydrophobicContact CB-CE1 3.5Å; P966-Y1242 HydrophobicContact CG-CD1 3.91Å; P966-Y1242 HydrophobicContact CG-CE1 4.09Å; P966-Y1242 HydrophobicContact CG-CG 4.46Å
967P73.6Confident70.4Confident35 Ų3553.1 Ų53.123%0.22730%0.303CS..  trans-73.868.517732.2-36.7000111.1S969 L970 L971 Y1242P967-S969 PolarHBondContact O-N 2.94Å; P967-S969 VanDerWaalsContact O-N 3.14Å; P967-L970 HydrophobicContact CB-CB 4.23Å; P967-L970 HydrophobicContact CB-CD1 4.06Å; P967-L970 HydrophobicContact CB-CG 4.37Å; P967-L970 PolarHBondContact O-N 3.48Å; P967-L971 WeakPolarHBondContact O-CG 3.23Å; P967-L971 PolarHBondContact O-N 3.4Å; P967-Y1242 WeakPolarHBondContact CD-OH 3.23Å
968W70.8Confident68.6Low26 Ų2655.3 Ų55.310%0.09831%0.314CS..Hα-helixtrans-54.8-34.6-175.7-60.6116.2000113.7P966 L971 T972 L978 P979 L982 F1212 Y1245P966-W968 HydrophobicContact CB-CD2 3.96Å; P966-W968 HydrophobicContact CB-CE3 4.33Å; P966-W968 HydrophobicContact CB-CH2 4.15Å; P966-W968 HydrophobicContact CB-CZ2 3.76Å; P966-W968 HydrophobicContact CB-CZ3 4.42Å; P966-W968 HydrophobicContact CG-CH2 4.13Å; P966-W968 HydrophobicContact CG-CZ2 3.58Å; P966-W968 PolarHBondContact O-N 3.1Å; W968-L971 HydrophobicContact CE3-CD1 4.09Å; W968-L971 HydrophobicContact CZ3-CD1 4.46Å; W968-T972 PolarHBondContact O-N 2.94Å; W968-T972 PolarHBondContact O-OG1 2.91Å; W968-L978 HydrophobicContact CB-CD2 4.09Å; W968-P979 HydrophobicContact CD2-CG 4.01Å; W968-P979 VanDerWaalsContact CE3-CD 3.47Å; W968-P979 HydrophobicContact CE3-CG 3.79Å; W968-P979 HydrophobicContact CH2-CG 3.66Å; W968-P979 HydrophobicContact CZ2-CG 3.88Å; W968-P979 HydrophobicContact CZ3-CG 3.62Å; W968-L982 VanDerWaalsContact CD1-CD2 3.48Å; W968-L982 HydrophobicContact CG-CD2 4.2Å; W968-F1212 HydrophobicContact CH2-CD1 4.25Å; W968-F1212 AromaticContact CH2-CE1 3.76Å; W968-F1212 HydrophobicContact CH2-CE1 3.76Å; W968-F1212 AromaticContact CZ3-CD1 3.89Å; W968-F1212 HydrophobicContact CZ3-CD1 3.89Å; W968-F1212 AromaticContact CZ3-CE1 3.88Å; W968-F1212 HydrophobicContact CZ3-CE1 3.88Å; W968-Y1245 AromaticContact CH2-CD1 3.64Å; W968-Y1245 HydrophobicContact CH2-CD1 3.64Å; W968-Y1245 AromaticContact CH2-CD2 3.93Å; W968-Y1245 HydrophobicContact CH2-CD2 3.93Å; W968-Y1245 HydrophobicContact CH2-CE1 4.07Å; W968-Y1245 HydrophobicContact CH2-CE2 4.37Å; W968-Y1245 AromaticContact CH2-CG 3.54Å; W968-Y1245 HydrophobicContact CH2-CG 3.54Å; W968-Y1245 HydrophobicContact CZ2-CD1 4.37Å; W968-Y1245 AromaticContact CZ2-CD2 3.89Å; W968-Y1245 HydrophobicContact CZ2-CD2 3.89Å; W968-Y1245 AromaticContact CZ2-CG 3.81Å; W968-Y1245 HydrophobicContact CZ2-CG 3.81Å
969S67.6Low66.7Low77 Ų7754.8 Ų54.854%0.53831%0.312SS..Hα-helixtrans-68.2-34.9177.353.50000113.4P967 T972 Q973P967-S969 PolarHBondContact O-N 2.94Å; P967-S969 VanDerWaalsContact O-N 3.14Å; S969-T972 WeakPolarHBondContact CA-OG1 3.36Å; S969-T972 PolarHBondContact O-OG1 3.32Å; S969-Q973 WeakPolarHBondContact O-CG 3.2Å; S969-Q973 PolarHBondContact O-N 2.77Å
970L65.4Low64.7Low70 Ų7058.5 Ų58.537%0.36633%0.332SS..Hα-helixtrans-77.4-39.6175.3-66.8176.4000110.7P967 T972 Q973 A974P967-L970 HydrophobicContact CB-CB 4.23Å; P967-L970 HydrophobicContact CB-CD1 4.06Å; P967-L970 HydrophobicContact CB-CG 4.37Å; P967-L970 PolarHBondContact O-N 3.48Å; L970-T972 VanDerWaalsContact C-N 3.28Å; L970-T972 PolarHBondContact O-N 2.99Å; L970-Q973 WeakPolarHBondContact O-CB 3.46Å; L970-Q973 PolarHBondContact O-N 3.09Å; L970-Q973 VanDerWaalsContact O-N 3.15Å; L970-A974 PolarHBondContact O-N 3.2Å
971L66.1Low62.9Low5 Ų560.1 Ų60.13%0.02636%0.359CS..Hα-helixtrans-60.8-38.5176.8-70.5165.8000112.1P967 W968 A974 G975 G976 L1226 Y1242P967-L971 WeakPolarHBondContact O-CG 3.23Å; P967-L971 PolarHBondContact O-N 3.4Å; W968-L971 HydrophobicContact CE3-CD1 4.09Å; W968-L971 HydrophobicContact CZ3-CD1 4.46Å; L971-A974 PolarHBondContact O-N 3.32Å; L971-G975 PolarHBondContact O-N 3.15Å; L971-G976 VanDerWaalsContact O-CA 3.27Å; L971-G976 WeakPolarHBondContact O-CA 3.39Å; L971-G976 PolarHBondContact O-N 3.23Å; L971-L1226 HydrophobicContact CD2-CD1 3.47Å; L971-L1226 VanDerWaalsContact CD2-CD1 3.47Å; L971-L1226 HydrophobicContact CD2-CG 3.88Å; L971-Y1242 HydrophobicContact CD1-CE1 3.65Å
972T64.1Low61.2Low49 Ų4958.4 Ų58.430%0.30135%0.35SS..Hα-helixtrans-65.1-40.5173.932.20000113.7W968 S969 L970 A974 G975 G976 L978W968-T972 PolarHBondContact O-N 2.94Å; W968-T972 PolarHBondContact O-OG1 2.91Å; S969-T972 WeakPolarHBondContact CA-OG1 3.36Å; S969-T972 PolarHBondContact O-OG1 3.32Å; L970-T972 VanDerWaalsContact C-N 3.28Å; L970-T972 PolarHBondContact O-N 2.99Å; T972-A974 PolarHBondContact O-N 3.16Å; T972-G975 PolarHBondContact O-N 3.31Å; T972-G976 WeakPolarHBondContact CA-O 3.46Å; T972-L978 HydrophobicContact CG2-CB 3.89Å; T972-L978 HydrophobicContact CG2-CD1 3.54Å; T972-L978 HydrophobicContact CG2-CG 3.34Å
973Q62Low59.6Low159 Ų15959.6 Ų59.674%0.74336%0.36SS*.Hα-helixtrans-63.9-31.9173.8-68.5173.113.600111.9S969 L970 G975S969-Q973 WeakPolarHBondContact O-CG 3.2Å; S969-Q973 PolarHBondContact O-N 2.77Å; L970-Q973 WeakPolarHBondContact O-CB 3.46Å; L970-Q973 PolarHBondContact O-N 3.09Å; L970-Q973 VanDerWaalsContact O-N 3.15Å; Q973-G975 VanDerWaalsContact C-N 3.27Å; Q973-G975 PolarHBondContact O-N 3.37Å
974A55.1Low58.3Low16 Ų1660.1 Ų60.113%0.13237%0.365CS..THydrogen-bonded Turntrans-791.1176.700000114.7L970 L971 T972 Q1215 V1222L970-A974 PolarHBondContact O-N 3.2Å; L971-A974 PolarHBondContact O-N 3.32Å; T972-A974 PolarHBondContact O-N 3.16Å; A974-Q1215 PolarHBondContact O-NE2 3.49Å; A974-V1222 HydrophobicContact CB-CG1 3.96Å; A974-V1222 HydrophobicContact CB-CG2 3.87Å
975G57.4Low56.8Low57 Ų5759.5 Ų59.559%0.58836%0.361SS*.THydrogen-bonded Turntrans93.15.7-178.200000115.2L971 T972 Q973 T1213L971-G975 PolarHBondContact O-N 3.15Å; T972-G975 PolarHBondContact O-N 3.31Å; Q973-G975 VanDerWaalsContact C-N 3.27Å; Q973-G975 PolarHBondContact O-N 3.37Å; G975-T1213 CarbonylContact C-O 3.57Å
976G56.8Low55.4Low8 Ų860.3 Ų60.38%0.08237%0.37CS..PPolyproline II helixtrans-74.6154.4170.500000112.9L971 T972 F1212 T1213L971-G976 VanDerWaalsContact O-CA 3.27Å; L971-G976 WeakPolarHBondContact O-CA 3.39Å; L971-G976 PolarHBondContact O-N 3.23Å; T972-G976 WeakPolarHBondContact CA-O 3.46Å; G976-F1212 VanDerWaalsContact CA-O 3.24Å; G976-F1212 WeakPolarHBondContact CA-O 3.47Å; G976-T1213 PolarHBondContact N-O 3.47Å
977H56.2Low54.3Low93 Ų9364.6 Ų64.643%0.43140%0.4SS..PPolyproline II helixtrans-86.8130.8177.9-158.1-76000110.6
978L55.9Low53.3Low45 Ų4566.2 Ų66.224%0.23640%0.403CS..PPolyproline II helixtrans-63.6139.2168.1-104.2154000108.9W968 T972 N980 L982W968-L978 HydrophobicContact CB-CD2 4.09Å; T972-L978 HydrophobicContact CG2-CB 3.89Å; T972-L978 HydrophobicContact CG2-CD1 3.54Å; T972-L978 HydrophobicContact CG2-CG 3.34Å; L978-N980 PolarHBondContact O-N 3.29Å; L978-L982 HydrophobicContact CD2-CB 3.8Å
979P52.6Low52.5Low9 Ų970.6 Ų70.66%0.05843%0.428CS..  trans-58.5110.3156.4-17.730000108.6W968 G981 L982 Y1245W968-P979 HydrophobicContact CD2-CG 4.01Å; W968-P979 VanDerWaalsContact CE3-CD 3.47Å; W968-P979 HydrophobicContact CE3-CG 3.79Å; W968-P979 HydrophobicContact CH2-CG 3.66Å; W968-P979 HydrophobicContact CZ2-CG 3.88Å; W968-P979 HydrophobicContact CZ3-CG 3.62Å; P979-G981 PolarHBondContact O-N 2.85Å; P979-L982 HydrophobicContact CB-CD1 3.64Å; P979-L982 HydrophobicContact CG-CD1 4Å; P979-L982 PolarHBondContact O-N 3.12Å; P979-Y1245 HydrophobicContact CB-CD2 4.46Å; P979-Y1245 HydrophobicContact CB-CE2 3.42Å; P979-Y1245 VanDerWaalsContact CB-CE2 3.42Å; P979-Y1245 VanDerWaalsContact CB-OH 3.22Å; P979-Y1245 WeakPolarHBondContact CB-OH 3.32Å; P979-Y1245 HydrophobicContact CG-CD2 4.1Å; P979-Y1245 HydrophobicContact CG-CE1 4.15Å; P979-Y1245 HydrophobicContact CG-CE2 3.38Å; P979-Y1245 VanDerWaalsContact CG-CZ 3.4Å; P979-Y1245 WeakPolarHBondContact CG-OH 3.2Å
980N45.7Very low52.4Low78 Ų7868.7 Ų68.742%0.41742%0.42SS..THydrogen-bonded Turntrans-66.2122.9179.7-82.6-20.4000110.1L978 K1097L978-N980 PolarHBondContact O-N 3.29Å; N980-K1097 PolarHBondContact O-NZ 3.27Å; N980-K1097 VanDerWaalsContact O-NZ 3.12Å
981G48.2Very low52.8Low67 Ų6767.2 Ų67.269%0.69141%0.413SS*.THydrogen-bonded Turntrans129.6-21.6-162.500000113P979P979-G981 PolarHBondContact O-N 2.85Å
982L42.5Very low53.3Low45 Ų4574.5 Ų74.524%0.23644%0.444CS..  trans-93.1-2.5179.6-87.2105.4000116.1W968 L978 P979 S984 M985W968-L982 VanDerWaalsContact CD1-CD2 3.48Å; W968-L982 HydrophobicContact CG-CD2 4.2Å; L978-L982 HydrophobicContact CD2-CB 3.8Å; P979-L982 HydrophobicContact CB-CD1 3.64Å; P979-L982 HydrophobicContact CG-CD1 4Å; P979-L982 PolarHBondContact O-N 3.12Å; L982-S984 PolarHBondContact O-N 3.18Å; L982-M985 HydrophobicContact CB-CG 4.4Å; L982-M985 HydrophobicContact CD2-CB 4.15Å; L982-M985 HydrophobicContact CD2-CG 3.99Å; L982-M985 HydrophobicContact CG-CB 4.43Å; L982-M985 HydrophobicContact CG-CG 3.96Å; L982-M985 PolarHBondContact O-N 3Å
983S38.6Very low54.2Low99 Ų9975.6 Ų75.669%0.69245%0.451SS*.THydrogen-bonded Turntrans-59.1-11.7179-47.80000114
984S40Very low55.5Low94 Ų9471.3 Ų71.366%0.65744%0.437SS*.THydrogen-bonded Turntrans-11516.2174.8-172.20000114.2L982 N986L982-S984 PolarHBondContact O-N 3.18Å; S984-N986 PolarHBondContact O-N 2.67Å
985M34.2Very low57.3Low71 Ų7171.1 Ų71.135%0.3543%0.433SS..  trans-84.327172.6-75.9-70.7-179.400113.2L982 S987 K988L982-M985 HydrophobicContact CB-CG 4.4Å; L982-M985 HydrophobicContact CD2-CB 4.15Å; L982-M985 HydrophobicContact CD2-CG 3.99Å; L982-M985 HydrophobicContact CG-CB 4.43Å; L982-M985 HydrophobicContact CG-CG 3.96Å; L982-M985 PolarHBondContact O-N 3Å; M985-S987 PolarHBondContact O-N 3.19Å; M985-K988 HydrophobicContact CE-CD 3.79Å; M985-K988 VanDerWaalsContact CE-CE 3.4Å; M985-K988 HydrophobicContact CE-CG 4.28Å; M985-K988 HydrophobicContact SD-CD 4.14Å; M985-K988 HydrophobicContact SD-CG 4.01Å
986N38.3Very low59.1Low151 Ų15169 Ų6981%0.80741%0.409SS*.SBendtrans-62.385.1147.5-84-15.6000106.6S984 K988S984-N986 PolarHBondContact O-N 2.67Å; N986-K988 PolarHBondContact O-N 3.07Å
987S49.4Very low60.9Low103 Ų10371.8 Ų71.872%0.7243%0.425SS*.  trans27.289.1177.2630000113.1M985 L989M985-S987 PolarHBondContact O-N 3.19Å; S987-L989 PolarHBondContact O-N 3.41Å
988K53.5Low62.7Low68 Ų6868.1 Ų68.130%0.29641%0.411SS..  trans-39.6131.1168.8-77.3180169.1-179.70108.5M985 N986 G990 L1062 D1063M985-K988 HydrophobicContact CE-CD 3.79Å; M985-K988 VanDerWaalsContact CE-CE 3.4Å; M985-K988 HydrophobicContact CE-CG 4.28Å; M985-K988 HydrophobicContact SD-CD 4.14Å; M985-K988 HydrophobicContact SD-CG 4.01Å; N986-K988 PolarHBondContact O-N 3.07Å; K988-G990 PolarHBondContact O-N 2.66Å; K988-L1062 WeakPolarHBondContact CD-O 3.47Å; K988-L1062 PolarHBondContact NZ-O 3.48Å; K988-D1063 HydrophobicContact CD-CB 4Å; K988-D1063 IonicContact NZ-OD1 3.55Å; K988-D1063 PolarHBondContact NZ-OD1 2.62Å
989L54Low64.6Low119 Ų11966.6 Ų66.662%0.62340%0.403SS*.  trans-57.297.2-168.2-82.392.2000110S987S987-L989 PolarHBondContact O-N 3.41Å
990G64Low66.7Low36 Ų3666.2 Ų66.237%0.37140%0.4SS..  trans-70.6175.2169.200000111D854 K988 K992D854-G990 WeakPolarHBondContact OD2-CA 3.05Å; K988-G990 PolarHBondContact O-N 2.66Å; G990-K992 PolarHBondContact O-N 3.07Å
991N74.2Confident69Low39 Ų3964.2 Ų64.221%0.20939%0.388CS..  trans-56.2127.6176.9-177.222.1000111.6D854 L857 V993 F995D854-N991 PolarHBondContact OD2-N 3.38Å; L857-N991 HydrophobicContact CD2-CB 4.38Å; L857-N991 WeakPolarHBondContact CD2-O 3.48Å; N991-V993 VanDerWaalsContact CG-O 3.23Å; N991-V993 PolarHBondContact ND2-O 3.04Å; N991-V993 PolarHBondContact OD1-N 2.98Å; N991-V993 VanDerWaalsContact OD1-N 3.14Å; N991-V993 PolarHBondContact OD1-O 2.85Å; N991-F995 HydrophobicContact CB-CE2 4.23Å; N991-F995 WeakPolarHBondContact ND2-CD2 3.48Å; N991-F995 WeakPolarHBondContact ND2-CE2 3.35Å
992K76.7Confident71.3Confident159 Ų15961 Ų6169%0.69136%0.355SS*.  trans-102.4-22.1178.3-67.7-176.1179.8177.30113.6G990G990-K992 PolarHBondContact O-N 3.07Å
993V81.9Confident73.9Confident72 Ų7258.9 Ų58.944%0.43634%0.344SS..SBendtrans-112.8124.7-175.1179.80000107.9N991 F995N991-V993 VanDerWaalsContact CG-O 3.23Å; N991-V993 PolarHBondContact ND2-O 3.04Å; N991-V993 PolarHBondContact OD1-N 2.98Å; N991-V993 VanDerWaalsContact OD1-N 3.14Å; N991-V993 PolarHBondContact OD1-O 2.85Å; V993-F995 PolarHBondContact O-N 2.97Å
994P89.5Confident76.6Confident69 Ų6954.1 Ų54.145%0.44831%0.311SS..PPolyproline II helixtrans-60.2129.318025.8-33.7000110.3L857L857-P994 HydrophobicContact CD1-CB 4.2Å
995F94.6Very high79.2Confident11 Ų1149.7 Ų49.75%0.04828%0.28CS..PPolyproline II helixtrans-65.8140.3175-72.7-66.9000110.5T855 H861 N991 V993 Q999 I1000 I1003 D1024 Q1028T855-F995 HydrophobicContact CG2-CD2 3.89Å; T855-F995 HydrophobicContact CG2-CE2 4.25Å; H861-F995 PolarHBondContact CE1-N 2.66Å; H861-F995 PolarHBondContact NE2-N 3.03Å; H861-F995 PolarHBondContact NE2-O 3.29Å; N991-F995 HydrophobicContact CB-CE2 4.23Å; N991-F995 WeakPolarHBondContact ND2-CD2 3.48Å; N991-F995 WeakPolarHBondContact ND2-CE2 3.35Å; V993-F995 PolarHBondContact O-N 2.97Å; F995-Q999 VanDerWaalsContact CA-OE1 3.28Å; F995-Q999 HydrophobicContact CB-CB 4Å; F995-Q999 HydrophobicContact CD1-CB 3.98Å; F995-Q999 HydrophobicContact CD1-CG 4.46Å; F995-Q999 HydrophobicContact CG-CB 4.4Å; F995-I1000 HydrophobicContact CB-CD1 3.66Å; F995-I1000 HydrophobicContact CB-CG1 3.9Å; F995-I1000 HydrophobicContact CD2-CD1 4.35Å; F995-I1000 HydrophobicContact CG-CD1 4.36Å; F995-I1003 HydrophobicContact CD1-CD1 4.21Å; F995-I1003 HydrophobicContact CD2-CD1 3.99Å; F995-I1003 HydrophobicContact CE1-CD1 4.34Å; F995-I1003 HydrophobicContact CE2-CD1 4.11Å; F995-I1003 HydrophobicContact CG-CD1 4.05Å; F995-I1003 HydrophobicContact CZ-CD1 4.29Å; F995-D1024 HydrophobicContact CE1-CB 4.29Å; F995-Q1028 HydrophobicContact CE2-CB 4.08Å; F995-Q1028 HydrophobicContact CE2-CG 3.75Å; F995-Q1028 HydrophobicContact CZ-CB 3.79Å; F995-Q1028 HydrophobicContact CZ-CG 4.01Å
996T94.4Very high82.1Confident14 Ų1446.3 Ų46.39%0.08626%0.263CS..PPolyproline II helixtrans-68.9160.317574.40000111.3A998 Q999 I1000 D1380 A1381 L1403T996-A998 PolarHBondContact O-N 3.11Å; T996-Q999 WeakPolarHBondContact O-CB 3.2Å; T996-Q999 PolarHBondContact O-N 3.09Å; T996-Q999 WeakPolarHBondContact OG1-CG 3.4Å; T996-Q999 PolarHBondContact OG1-N 3.27Å; T996-I1000 WeakPolarHBondContact O-CG1 3.28Å; T996-I1000 PolarHBondContact O-N 2.87Å; T996-D1380 WeakPolarHBondContact CB-OD1 3.38Å; T996-D1380 PolarHBondContact OG1-OD1 3.42Å; T996-A1381 HydrophobicContact CG2-CB 3.84Å; T996-L1403 HydrophobicContact CG2-CD2 3.94Å
997P94.4Very high84.8Confident66 Ų6639.1 Ų39.143%0.42923%0.225SC..Hα-helixtrans-52.5-38.8173.7-24.531.9000113.1I1000 E1001P997-I1000 PolarHBondContact O-N 3.5Å; P997-E1001 PolarHBondContact O-N 2.73Å
998A94.3Very high87Confident16 Ų1634.3 Ų34.313%0.13219%0.191CC..Hα-helixtrans-67.4-39.4176.100000112.7T996 E1001 A1002 V1377 D1380T996-A998 PolarHBondContact O-N 3.11Å; A998-E1001 PolarHBondContact O-N 3.43Å; A998-A1002 WeakPolarHBondContact O-CB 3.46Å; A998-A1002 PolarHBondContact O-N 3.38Å; A998-V1377 VanDerWaalsContact O-CG1 3.26Å; A998-V1377 WeakPolarHBondContact O-CG1 3.48Å; A998-D1380 HydrophobicContact CB-CB 4.21Å; A998-D1380 WeakPolarHBondContact CB-OD1 3.39Å
999Q96.1Very high89Confident13 Ų1331.4 Ų31.46%0.06118%0.179CC..Hα-helixtrans-65-39.7173.3-70.6175.3-39.800111.6F995 T996 A1002 I1003 T1020 V1025 L1379F995-Q999 VanDerWaalsContact CA-OE1 3.28Å; F995-Q999 HydrophobicContact CB-CB 4Å; F995-Q999 HydrophobicContact CD1-CB 3.98Å; F995-Q999 HydrophobicContact CD1-CG 4.46Å; F995-Q999 HydrophobicContact CG-CB 4.4Å; T996-Q999 WeakPolarHBondContact O-CB 3.2Å; T996-Q999 PolarHBondContact O-N 3.09Å; T996-Q999 WeakPolarHBondContact OG1-CG 3.4Å; T996-Q999 PolarHBondContact OG1-N 3.27Å; Q999-A1002 WeakPolarHBondContact O-CB 3.43Å; Q999-A1002 PolarHBondContact O-N 3.25Å; Q999-I1003 WeakPolarHBondContact O-CD1 3.46Å; Q999-I1003 VanDerWaalsContact O-CG1 3.25Å; Q999-I1003 WeakPolarHBondContact O-CG1 3.41Å; Q999-I1003 PolarHBondContact O-N 3.47Å; Q999-T1020 PolarHBondContact NE2-O 3.1Å; Q999-V1025 HydrophobicContact CB-CG2 3.92Å; Q999-V1025 HydrophobicContact CG-CG2 3.75Å; Q999-L1379 HydrophobicContact CB-CD2 4.46Å; Q999-L1379 HydrophobicContact CG-CD2 3.83Å
1000I96.4Very high90.9Very high1 Ų125.8 Ų25.81%0.00515%0.15CC..Hα-helixtrans-63.9-41175.8-68.7-61.9000111.4W852 T855 F856 L866 F995 T996 P997 I1003 R1004W852-I1000 HydrophobicContact CH2-CG2 4.2Å; W852-I1000 HydrophobicContact CZ3-CD1 4.31Å; W852-I1000 HydrophobicContact CZ3-CG2 4.02Å; T855-I1000 HydrophobicContact CG2-CD1 3.48Å; T855-I1000 VanDerWaalsContact CG2-CD1 3.48Å; F856-I1000 HydrophobicContact CD1-CD1 4.3Å; F856-I1000 HydrophobicContact CE1-CD1 3.62Å; F856-I1000 HydrophobicContact CE1-CG1 4.02Å; F856-I1000 HydrophobicContact CE1-CG2 4.15Å; F856-I1000 HydrophobicContact CZ-CD1 3.91Å; F856-I1000 HydrophobicContact CZ-CG1 4.49Å; F856-I1000 HydrophobicContact CZ-CG2 3.97Å; L866-I1000 HydrophobicContact CD2-CG2 3.88Å; L866-I1000 HydrophobicContact CG-CG2 4.3Å; F995-I1000 HydrophobicContact CB-CD1 3.66Å; F995-I1000 HydrophobicContact CB-CG1 3.9Å; F995-I1000 HydrophobicContact CD2-CD1 4.35Å; F995-I1000 HydrophobicContact CG-CD1 4.36Å; T996-I1000 WeakPolarHBondContact O-CG1 3.28Å; T996-I1000 PolarHBondContact O-N 2.87Å; P997-I1000 PolarHBondContact O-N 3.5Å; I1000-I1003 HydrophobicContact CD1-CD1 4.32Å; I1000-I1003 PolarHBondContact O-N 2.65Å; I1000-R1004 WeakPolarHBondContact O-CB 3.45Å; I1000-R1004 PolarHBondContact O-N 3.47Å
1001E94.2Very high92.4Very high35 Ų3524.1 Ų24.116%0.16413%0.133CC..Hα-helixtrans-65.2-39.7174-175.856.2-154.200111.8Y839 P997 A998 I1003 R1004 S1005 V1377Y839-E1001 PolarHBondContact OH-OE1 3.07Å; P997-E1001 PolarHBondContact O-N 2.73Å; A998-E1001 PolarHBondContact O-N 3.43Å; E1001-I1003 VanDerWaalsContact C-N 3.35Å; E1001-I1003 PolarHBondContact O-N 3.21Å; E1001-R1004 WeakPolarHBondContact O-CB 2.86Å; E1001-R1004 PolarHBondContact O-N 2.74Å; E1001-S1005 WeakPolarHBondContact O-CB 3.15Å; E1001-S1005 PolarHBondContact O-N 2.82Å; E1001-V1377 HydrophobicContact CB-CG1 4.38Å; E1001-V1377 HydrophobicContact CG-CG1 4.46Å; E1001-V1377 HydrophobicContact CG-CG2 4.16Å
1002A96.3Very high93.5Very high0 Ų022.4 Ų22.40%012%0.124CC..Hα-helixtrans-61.7-42.5173.700000111.9A998 Q999 G1006 V1014 V1025 V1377 L1379A998-A1002 WeakPolarHBondContact O-CB 3.46Å; A998-A1002 PolarHBondContact O-N 3.38Å; Q999-A1002 WeakPolarHBondContact O-CB 3.43Å; Q999-A1002 PolarHBondContact O-N 3.25Å; A1002-G1006 PolarHBondContact O-N 2.83Å; A1002-V1014 HydrophobicContact CB-CG1 4.12Å; A1002-V1014 HydrophobicContact CB-CG2 3.81Å; A1002-V1025 HydrophobicContact CB-CG1 3.93Å; A1002-V1377 HydrophobicContact CB-CB 4.27Å; A1002-V1377 HydrophobicContact CB-CG1 3.9Å; A1002-L1379 HydrophobicContact CB-CD2 4.12Å
1003I96.9Very high94.5Very high0 Ų015 Ų150%09%0.092CC..Hα-helixtrans-63.4-45.9175.4-67.7160.5000110.2W852 T855 F995 Q999 I1000 E1001 G1006 M1007 V1025 Q1028 I1029W852-I1003 HydrophobicContact CE3-CG2 4.39Å; W852-I1003 HydrophobicContact CH2-CG2 4.21Å; W852-I1003 HydrophobicContact CZ3-CB 4.3Å; W852-I1003 HydrophobicContact CZ3-CG2 3.8Å; T855-I1003 HydrophobicContact CG2-CD1 4.04Å; F995-I1003 HydrophobicContact CD1-CD1 4.21Å; F995-I1003 HydrophobicContact CD2-CD1 3.99Å; F995-I1003 HydrophobicContact CE1-CD1 4.34Å; F995-I1003 HydrophobicContact CE2-CD1 4.11Å; F995-I1003 HydrophobicContact CG-CD1 4.05Å; F995-I1003 HydrophobicContact CZ-CD1 4.29Å; Q999-I1003 WeakPolarHBondContact O-CD1 3.46Å; Q999-I1003 VanDerWaalsContact O-CG1 3.25Å; Q999-I1003 WeakPolarHBondContact O-CG1 3.41Å; Q999-I1003 PolarHBondContact O-N 3.47Å; I1000-I1003 HydrophobicContact CD1-CD1 4.32Å; I1000-I1003 PolarHBondContact O-N 2.65Å; E1001-I1003 VanDerWaalsContact C-N 3.35Å; E1001-I1003 PolarHBondContact O-N 3.21Å; I1003-G1006 PolarHBondContact O-N 2.66Å; I1003-M1007 HydrophobicContact CG2-CG 4.45Å; I1003-M1007 HydrophobicContact CG2-SD 3.97Å; I1003-M1007 VanDerWaalsContact O-CG 3.29Å; I1003-M1007 WeakPolarHBondContact O-CG 3.27Å; I1003-M1007 PolarHBondContact O-N 3.24Å; I1003-V1025 HydrophobicContact CG1-CG1 4.17Å; I1003-Q1028 HydrophobicContact CD1-CB 4.05Å; I1003-Q1028 HydrophobicContact CD1-CG 3.87Å; I1003-Q1028 HydrophobicContact CG1-CB 4.37Å; I1003-Q1028 HydrophobicContact CG1-CG 4.44Å; I1003-I1029 HydrophobicContact CB-CG1 4.29Å; I1003-I1029 HydrophobicContact CG1-CG1 4.16Å; I1003-I1029 HydrophobicContact CG2-CG1 4.34Å
1004R94.7Very high95.2Very high0 Ų011.6 Ų11.60%07%0.071CC..Hα-helixtrans-56.9-54.5177.4-174-176.3179.2177.5-0.8111.4Y846 W852 Y869 F909 D915 T917 I1000 E1001 G1006 M1007 Q1008Y846-R1004 PolarHBondContact OH-NH2 3.36Å; Y846-R1004 VanDerWaalsContact OH-NH2 3.14Å; W852-R1004 HydrophobicContact CH2-CB 3.74Å; W852-R1004 HydrophobicContact CH2-CG 4.36Å; W852-R1004 HydrophobicContact CZ2-CB 4.03Å; W852-R1004 HydrophobicContact CZ2-CG 4.16Å; Y869-R1004 PolarHBondContact OH-NH1 2.79Å; F909-R1004 VanDerWaalsContact CD1-CZ 3.43Å; F909-R1004 VanDerWaalsContact CE1-CZ 3.44Å; F909-R1004 HydrophobicContact CZ-CG 4.27Å; D915-R1004 IonicContact OD2-CZ 2.92Å; D915-R1004 IonicContact OD2-NH1 3.75Å; D915-R1004 IonicContact OD2-NH2 4Å; D915-R1004 PolarHBondContact OD2-NH2 3.34Å; T917-R1004 PolarHBondContact OG1-NH1 2.9Å; I1000-R1004 WeakPolarHBondContact O-CB 3.45Å; I1000-R1004 PolarHBondContact O-N 3.47Å; E1001-R1004 WeakPolarHBondContact O-CB 2.86Å; E1001-R1004 PolarHBondContact O-N 2.74Å; R1004-G1006 VanDerWaalsContact C-N 3.28Å; R1004-G1006 PolarHBondContact O-N 2.98Å; R1004-M1007 PolarHBondContact O-N 3.31Å; R1004-M1007 VanDerWaalsContact O-N 3.1Å; R1004-Q1008 WeakPolarHBondContact O-CG 3.45Å; R1004-Q1008 PolarHBondContact O-N 2.92Å; R1004-Q1008 VanDerWaalsContact O-N 3.13Å
1005S94.6Very high95.6Very high1 Ų18.3 Ų8.31%0.0075%0.049CC..Hα-helixtrans-58.9-44.2-179.2-175.30000110.2E1001 M1007 Q1008 T1012E1001-S1005 WeakPolarHBondContact O-CB 3.15Å; E1001-S1005 PolarHBondContact O-N 2.82Å; S1005-M1007 VanDerWaalsContact C-N 3.27Å; S1005-M1007 PolarHBondContact O-N 3.29Å; S1005-Q1008 PolarHBondContact O-N 2.83Å; S1005-Q1008 VanDerWaalsContact O-N 3.14Å; S1005-T1012 PolarHBondContact O-OG1 3.43Å; S1005-T1012 WeakPolarHBondContact OG-CG2 3.38Å; S1005-T1012 PolarHBondContact OG-OG1 2.62Å
1006G95.9Very high95.6Very high0 Ų07.8 Ų7.80%05%0.047CC..Hα-helixtrans-65.6-24.8177.500000114.6A1002 I1003 R1004 T1012 R1336 I1338A1002-G1006 PolarHBondContact O-N 2.83Å; I1003-G1006 PolarHBondContact O-N 2.66Å; R1004-G1006 VanDerWaalsContact C-N 3.28Å; R1004-G1006 PolarHBondContact O-N 2.98Å; G1006-T1012 PolarHBondContact N-OG1 3.1Å; G1006-R1336 WeakPolarHBondContact O-CD 3.28Å; G1006-I1338 WeakPolarHBondContact O-CD1 3.23Å
1007M95.6Very high95.7Very high0 Ų07.1 Ų7.10%04%0.043CC..Hα-helixtrans-79.7-28.1173.3-72.3177.665.600112.9Q850 W852 I1003 R1004 S1005 N1032 L1033 N1036Q850-M1007 HydrophobicContact CB-CE 3.92Å; Q850-M1007 HydrophobicContact CG-CE 4.33Å; W852-M1007 HydrophobicContact CD2-SD 4.5Å; W852-M1007 HydrophobicContact CZ2-SD 4.38Å; I1003-M1007 HydrophobicContact CG2-CG 4.45Å; I1003-M1007 HydrophobicContact CG2-SD 3.97Å; I1003-M1007 VanDerWaalsContact O-CG 3.29Å; I1003-M1007 WeakPolarHBondContact O-CG 3.27Å; I1003-M1007 PolarHBondContact O-N 3.24Å; R1004-M1007 PolarHBondContact O-N 3.31Å; R1004-M1007 VanDerWaalsContact O-N 3.1Å; S1005-M1007 VanDerWaalsContact C-N 3.27Å; S1005-M1007 PolarHBondContact O-N 3.29Å; M1007-N1032 HydrophobicContact CE-CB 3.79Å; M1007-N1032 HydrophobicContact CG-CB 4.15Å; M1007-N1032 HydrophobicContact SD-CB 3.56Å; M1007-N1032 VanDerWaalsContact SD-CB 3.56Å; M1007-N1032 PolarHBondContact SD-ND2 2.96Å; M1007-L1033 HydrophobicContact CB-CD2 4.47Å; M1007-L1033 HydrophobicContact CG-CD2 4.43Å; M1007-N1036 WeakPolarHBondContact CE-ND2 3.37Å
1008Q95Very high95.6Very high1 Ų14 Ų41%0.0052%0.023CC..SBendtrans-78.7155.3178.5-67.1-69.4-12.700112.3Y839 E847 R1004 S1005 R1336Y839-Q1008 VanDerWaalsContact CB-CB 3.48Å; Y839-Q1008 HydrophobicContact CD1-CB 4.07Å; Y839-Q1008 HydrophobicContact CD1-CG 4.33Å; Y839-Q1008 HydrophobicContact CD2-CB 4.1Å; Y839-Q1008 HydrophobicContact CD2-CG 3.92Å; Y839-Q1008 HydrophobicContact CE2-CG 4.38Å; Y839-Q1008 HydrophobicContact CG-CB 3.62Å; Y839-Q1008 HydrophobicContact CG-CG 3.91Å; E847-Q1008 VanDerWaalsContact N-OE1 3.08Å; E847-Q1008 PolarHBondContact O-NE2 3.47Å; R1004-Q1008 WeakPolarHBondContact O-CG 3.45Å; R1004-Q1008 PolarHBondContact O-N 2.92Å; R1004-Q1008 VanDerWaalsContact O-N 3.13Å; S1005-Q1008 PolarHBondContact O-N 2.83Å; S1005-Q1008 VanDerWaalsContact O-N 3.14Å; Q1008-R1336 WeakPolarHBondContact O-CD 3.44Å; Q1008-R1336 WeakPolarHBondContact O-CG 3.46Å
1009C94.6Very high95.5Very high7 Ų74.2 Ų4.25%0.0473%0.026CC..SBendtrans-71.4138.1176.1-67.10000112Y839 V845Y839-C1009 WeakPolarHBondContact CA-O 3.5Å; Y839-C1009 VanDerWaalsContact CB-O 3.3Å; Y839-C1009 WeakPolarHBondContact CB-O 3.34Å; V845-C1009 HydrophobicContact CB-CB 3.96Å; V845-C1009 HydrophobicContact CG2-CB 3.6Å
1010G94.4Very high95.4Very high1 Ų13.7 Ų3.71%0.012%0.024CC..EExtended strand (participates in β ladder)trans128.3-162.8-176.900000114A837 K1335 R1336 W1337A837-G1010 CarbonylContact O-C 3.44Å; A837-G1010 VanDerWaalsContact O-CA 3.31Å; A837-G1010 WeakPolarHBondContact O-CA 3.48Å; G1010-K1335 PolarHBondContact N-O 3.4Å; G1010-R1336 WeakPolarHBondContact O-CA 3.48Å; G1010-W1337 PolarHBondContact O-N 3.43Å
1011L95.8Very high95.2Very high2 Ų24.4 Ų4.41%0.013%0.032CC..EExtended strand (participates in β ladder)trans-97.4126.4177.1172.760.6000109.9W823 L824 L827 A837 L1013 W1337 M1339 L1369 V1374W823-L1011 HydrophobicContact CZ3-CB 4.01Å; L824-L1011 HydrophobicContact CD1-CD2 4.29Å; L827-L1011 HydrophobicContact CD2-CD2 3.59Å; A837-L1011 HydrophobicContact CB-CB 3.78Å; A837-L1011 HydrophobicContact CB-CD2 4.11Å; A837-L1011 PolarHBondContact O-N 3.13Å; L1011-L1013 HydrophobicContact CD1-CD1 3.78Å; L1011-L1013 HydrophobicContact CD2-CD1 3.77Å; L1011-L1013 HydrophobicContact CG-CD1 3.54Å; L1011-W1337 WeakPolarHBondContact CA-O 3.45Å; L1011-W1337 HydrophobicContact CD1-CB 4.34Å; L1011-W1337 HydrophobicContact CD1-CD2 3.98Å; L1011-W1337 HydrophobicContact CD1-CE3 3.7Å; L1011-W1337 HydrophobicContact CD1-CG 4.28Å; L1011-W1337 HydrophobicContact CD1-CZ3 4.28Å; L1011-M1339 HydrophobicContact CD1-SD 4.35Å; L1011-L1369 HydrophobicContact CD2-CD1 4.29Å; L1011-V1374 HydrophobicContact CD2-CG1 4.05Å
1012T97.2Very high95.2Very high3 Ų33.7 Ų3.72%0.0183%0.028CC..EExtended strand (participates in β ladder)trans-119.8121.5174.3-64.50000109.6S1005 G1006 V1014 W1337 I1338 M1339S1005-T1012 PolarHBondContact O-OG1 3.43Å; S1005-T1012 WeakPolarHBondContact OG-CG2 3.38Å; S1005-T1012 PolarHBondContact OG-OG1 2.62Å; G1006-T1012 PolarHBondContact N-OG1 3.1Å; T1012-V1014 HydrophobicContact CG2-CG2 3.96Å; T1012-W1337 PolarHBondContact N-O 3.25Å; T1012-I1338 HydrophobicContact CG2-CG2 4.4Å; T1012-I1338 WeakPolarHBondContact O-CA 3.47Å; T1012-M1339 PolarHBondContact O-N 3.22Å
1013L97.5Very high95Very high3 Ų34.8 Ų4.82%0.0164%0.035CC..EExtended strand (participates in β ladder)trans-108.9122.8170.9-73.591000110.3L1011 M1339 F1366 L1369 V1370 V1374 T1376 V1377L1011-L1013 HydrophobicContact CD1-CD1 3.78Å; L1011-L1013 HydrophobicContact CD2-CD1 3.77Å; L1011-L1013 HydrophobicContact CG-CD1 3.54Å; L1013-M1339 WeakPolarHBondContact CA-O 3.26Å; L1013-F1366 HydrophobicContact CB-CE2 4.26Å; L1013-F1366 HydrophobicContact CD2-CD2 3.98Å; L1013-F1366 HydrophobicContact CD2-CE2 4.06Å; L1013-F1366 HydrophobicContact CG-CE2 4.36Å; L1013-L1369 HydrophobicContact CD2-CB 3.74Å; L1013-L1369 HydrophobicContact CD2-CD1 4.25Å; L1013-V1370 HydrophobicContact CD2-CG2 4.28Å; L1013-V1374 HydrophobicContact CD1-CB 4.28Å; L1013-V1374 HydrophobicContact CD1-CG1 3.46Å; L1013-V1374 VanDerWaalsContact CD1-CG1 3.46Å; L1013-T1376 HydrophobicContact CB-CG2 3.93Å; L1013-T1376 HydrophobicContact CD2-CG2 4.49Å; L1013-T1376 WeakPolarHBondContact O-CA 3.32Å; L1013-V1377 PolarHBondContact O-N 2.94Å
1014V98Very high94.8Very high0 Ų08 Ų80%05%0.052CC..EExtended strand (participates in β ladder)trans-112.2116.9175.5-174.40000109A1002 T1012 M1339 I1340 G1341 F1366 V1377 L1379A1002-V1014 HydrophobicContact CB-CG1 4.12Å; A1002-V1014 HydrophobicContact CB-CG2 3.81Å; T1012-V1014 HydrophobicContact CG2-CG2 3.96Å; V1014-M1339 PolarHBondContact N-O 3.18Å; V1014-I1340 HydrophobicContact CB-CB 4.41Å; V1014-I1340 HydrophobicContact CB-CG1 4.05Å; V1014-I1340 HydrophobicContact CB-CG2 4.22Å; V1014-I1340 HydrophobicContact CG1-CG2 4.37Å; V1014-I1340 HydrophobicContact CG2-CG1 4.21Å; V1014-I1340 WeakPolarHBondContact O-CA 3.49Å; V1014-G1341 PolarHBondContact O-N 2.94Å; V1014-F1366 WeakPolarHBondContact O-CZ 3.49Å; V1014-V1377 CarbonylContact C-O 3.45Å; V1014-V1377 WeakPolarHBondContact CA-O 3.47Å; V1014-L1379 HydrophobicContact CG1-CD1 4.05Å; V1014-L1379 HydrophobicContact CG1-CD2 3.8Å; V1014-L1379 HydrophobicContact CG1-CG 3.77Å
1015V97Very high94.9Very high0 Ų08 Ų80%05%0.052CC..EExtended strand (participates in β ladder)trans-86.8111.9169.4179.70000107.4P1017 G1341 F1366 T1376 V1377 Q1378 L1379V1015-P1017 VanDerWaalsContact O-CD 3.28Å; V1015-P1017 WeakPolarHBondContact O-CD 3.32Å; V1015-G1341 CarbonylContact C-O 3.59Å; V1015-G1341 VanDerWaalsContact CA-O 3.32Å; V1015-G1341 WeakPolarHBondContact CA-O 3.14Å; V1015-F1366 HydrophobicContact CG2-CE1 4.32Å; V1015-F1366 HydrophobicContact CG2-CZ 3.95Å; V1015-T1376 HydrophobicContact CG2-CG2 4.26Å; V1015-V1377 PolarHBondContact N-O 3.11Å; V1015-Q1378 HydrophobicContact CB-CB 4.23Å; V1015-Q1378 HydrophobicContact CB-CG 4.12Å; V1015-Q1378 HydrophobicContact CG1-CG 4.07Å; V1015-Q1378 CarbonylContact O-C 3.41Å; V1015-Q1378 WeakPolarHBondContact O-CA 3.44Å; V1015-L1379 PolarHBondContact O-N 2.94Å
1016G95.1Very high94.9Very high0 Ų08 Ų80%05%0.052CC..  trans-113.496-176.700000112.4K1022 G1341G1016-K1022 WeakPolarHBondContact O-CD 3.33Å; G1016-K1022 PolarHBondContact O-NZ 2.88Å; G1016-G1341 PolarHBondContact N-O 3.27Å
1017P95.4Very high94.9Very high0 Ų08.5 Ų8.50%06%0.055CC..  trans-55.6169.4174.9-24.633.1000113.4V1015 G1019 T1020 K1022 Q1378 L1379 Y1397 L1400V1015-P1017 VanDerWaalsContact O-CD 3.28Å; V1015-P1017 WeakPolarHBondContact O-CD 3.32Å; P1017-G1019 PolarHBondContact O-N 3.33Å; P1017-T1020 HydrophobicContact CB-CG2 3.75Å; P1017-T1020 HydrophobicContact CG-CG2 4.12Å; P1017-T1020 PolarHBondContact O-N 3.08Å; P1017-T1020 PolarHBondContact O-OG1 2.97Å; P1017-K1022 PolarHBondContact O-NZ 2.74Å; P1017-Q1378 HydrophobicContact CG-CG 4.26Å; P1017-L1379 VanDerWaalsContact CD-O 3.31Å; P1017-L1379 WeakPolarHBondContact CD-O 3.28Å; P1017-L1379 WeakPolarHBondContact CG-O 3.25Å; P1017-Y1397 HydrophobicContact CB-CD1 3.84Å; P1017-Y1397 HydrophobicContact CB-CD2 4.23Å; P1017-Y1397 HydrophobicContact CB-CE1 3.71Å; P1017-Y1397 HydrophobicContact CB-CE2 4.15Å; P1017-Y1397 HydrophobicContact CB-CG 4.09Å; P1017-Y1397 HydrophobicContact CG-CD1 3.48Å; P1017-Y1397 VanDerWaalsContact CG-CD1 3.48Å; P1017-Y1397 HydrophobicContact CG-CE1 3.74Å; P1017-Y1397 HydrophobicContact CG-CG 3.91Å; P1017-L1400 HydrophobicContact CB-CD1 4.03Å; P1017-L1400 HydrophobicContact CB-CD2 4.04Å; P1017-L1400 HydrophobicContact CG-CD1 4.22Å
1018P92.9Very high94.8Very high1 Ų18.9 Ų8.91%0.0066%0.057CC..THydrogen-bonded Turntrans-64.8120.8-177.9-11.621000111.8Y1393 Y1397P1018-Y1393 HydrophobicContact CB-CE2 4.28Å; P1018-Y1393 HydrophobicContact CG-CD2 4.3Å; P1018-Y1393 HydrophobicContact CG-CE2 4.07Å; P1018-Y1397 VanDerWaalsContact CD-OH 3.26Å; P1018-Y1397 WeakPolarHBondContact CD-OH 3.49Å
1019G91.8Very high94.9Very high20 Ų208.9 Ų8.921%0.2066%0.057CC..THydrogen-bonded Turntrans88.29.1176.900000116.2P1017 Q1382 G1383P1017-G1019 PolarHBondContact O-N 3.33Å; G1019-Q1382 WeakPolarHBondContact O-CA 3.28Å; G1019-G1383 PolarHBondContact O-N 3.01Å
1020T94.9Very high94.9Very high2 Ų28.5 Ų8.51%0.0126%0.055CC..SBendtrans-9111.5-177.160.40000115.1Q999 P1017 L1379 A1381 Q1382 L1400Q999-T1020 PolarHBondContact NE2-O 3.1Å; P1017-T1020 HydrophobicContact CB-CG2 3.75Å; P1017-T1020 HydrophobicContact CG-CG2 4.12Å; P1017-T1020 PolarHBondContact O-N 3.08Å; P1017-T1020 PolarHBondContact O-OG1 2.97Å; T1020-L1379 HydrophobicContact CG2-CB 4.25Å; T1020-A1381 WeakPolarHBondContact CA-O 3.46Å; T1020-A1381 WeakPolarHBondContact CG2-O 3.35Å; T1020-Q1382 HydrophobicContact CG2-CB 4.2Å; T1020-L1400 HydrophobicContact CG2-CD1 3.72Å
1021G92.2Very high94.9Very high16 Ų169.1 Ų9.117%0.1656%0.057CC..  trans77.336.2175.700000115.5T1023 D1024 V1025G1021-T1023 PolarHBondContact O-N 3.18Å; G1021-D1024 WeakPolarHBondContact CA-OD2 3.48Å; G1021-D1024 WeakPolarHBondContact O-CB 3.41Å; G1021-D1024 PolarHBondContact O-N 3.34Å; G1021-D1024 VanDerWaalsContact O-N 3.07Å; G1021-V1025 WeakPolarHBondContact O-CG2 3.29Å; G1021-V1025 PolarHBondContact O-N 2.83Å
1022K93.7Very high94.9Very high20 Ų209 Ų99%0.0876%0.056CC..Hα-helixtrans-48-54.2175.5-78.6-170.5-68.9-670113.1G1016 P1017 D1024 V1025 A1026 E1308 I1340 L1379G1016-K1022 WeakPolarHBondContact O-CD 3.33Å; G1016-K1022 PolarHBondContact O-NZ 2.88Å; P1017-K1022 PolarHBondContact O-NZ 2.74Å; K1022-D1024 VanDerWaalsContact C-N 3.27Å; K1022-D1024 PolarHBondContact O-N 3.01Å; K1022-V1025 PolarHBondContact O-N 3.44Å; K1022-A1026 PolarHBondContact O-N 3.39Å; K1022-E1308 WeakPolarHBondContact CE-OE1 3.27Å; K1022-I1340 HydrophobicContact CB-CG2 3.88Å; K1022-I1340 HydrophobicContact CD-CG2 3.88Å; K1022-I1340 HydrophobicContact CG-CG2 3.75Å; K1022-L1379 HydrophobicContact CG-CD1 4.46Å
1023T92.1Very high94.8Very high23 Ų239 Ų914%0.1416%0.056CC..Hα-helixtrans-64.1-35.6-179.8-40.50000110.6G1021 A1026 V1027 L1055 K1058 E1307G1021-T1023 PolarHBondContact O-N 3.18Å; T1023-A1026 WeakPolarHBondContact O-CB 3.16Å; T1023-A1026 PolarHBondContact O-N 3.23Å; T1023-V1027 HydrophobicContact CG2-CG2 4.44Å; T1023-V1027 WeakPolarHBondContact O-CB 3.36Å; T1023-V1027 WeakPolarHBondContact O-CG2 3.35Å; T1023-V1027 PolarHBondContact O-N 3.01Å; T1023-L1055 HydrophobicContact CG2-CB 4.13Å; T1023-L1055 HydrophobicContact CG2-CD1 3.71Å; T1023-K1058 HydrophobicContact CG2-CD 3.92Å; T1023-E1307 WeakPolarHBondContact CA-OE1 3.44Å; T1023-E1307 WeakPolarHBondContact CB-OE1 3.4Å; T1023-E1307 PolarHBondContact OG1-OE1 2.67Å
1024D93Very high94.7Very high68 Ų6810.2 Ų10.236%0.3646%0.061SC..Hα-helixtrans-68.6-41.3178.4-54.6-62.6000112F995 G1021 K1022 V1027 Q1028 K1058F995-D1024 HydrophobicContact CE1-CB 4.29Å; G1021-D1024 WeakPolarHBondContact CA-OD2 3.48Å; G1021-D1024 WeakPolarHBondContact O-CB 3.41Å; G1021-D1024 PolarHBondContact O-N 3.34Å; G1021-D1024 VanDerWaalsContact O-N 3.07Å; K1022-D1024 VanDerWaalsContact C-N 3.27Å; K1022-D1024 PolarHBondContact O-N 3.01Å; D1024-V1027 PolarHBondContact O-N 3.03Å; D1024-Q1028 PolarHBondContact O-N 2.85Å; D1024-K1058 IonicContact OD1-NZ 2.66Å; D1024-K1058 PolarHBondContact OD1-NZ 3.21Å; D1024-K1058 IonicContact OD2-NZ 2.84Å
1025V95.3Very high94.4Very high0 Ų013.3 Ų13.30%08%0.075CC..Hα-helixtrans-61-45.2171.8170.30000110.8Q999 A1002 I1003 G1021 K1022 Q1028 I1029 L1379Q999-V1025 HydrophobicContact CB-CG2 3.92Å; Q999-V1025 HydrophobicContact CG-CG2 3.75Å; A1002-V1025 HydrophobicContact CB-CG1 3.93Å; I1003-V1025 HydrophobicContact CG1-CG1 4.17Å; G1021-V1025 WeakPolarHBondContact O-CG2 3.29Å; G1021-V1025 PolarHBondContact O-N 2.83Å; K1022-V1025 PolarHBondContact O-N 3.44Å; V1025-Q1028 PolarHBondContact O-N 3.45Å; V1025-I1029 HydrophobicContact CG1-CD1 3.88Å; V1025-I1029 VanDerWaalsContact O-CG1 3.28Å; V1025-I1029 WeakPolarHBondContact O-CG1 3.18Å; V1025-I1029 PolarHBondContact O-N 3.1Å; V1025-L1379 HydrophobicContact CG2-CD1 4.18Å; V1025-L1379 HydrophobicContact CG2-CD2 4.45Å
1026A95.8Very high94.3Very high0 Ų015.1 Ų15.10%09%0.085CC..Hα-helixtrans-58.8-48.7177.200000111.9K1022 T1023 I1029 I1030 L1055 L1305 I1340K1022-A1026 PolarHBondContact O-N 3.39Å; T1023-A1026 WeakPolarHBondContact O-CB 3.16Å; T1023-A1026 PolarHBondContact O-N 3.23Å; A1026-I1029 PolarHBondContact O-N 2.87Å; A1026-I1030 WeakPolarHBondContact O-CD1 3.05Å; A1026-I1030 VanDerWaalsContact O-CG1 3.28Å; A1026-I1030 WeakPolarHBondContact O-CG1 3.48Å; A1026-I1030 PolarHBondContact O-N 2.74Å; A1026-L1055 HydrophobicContact CB-CD1 3.96Å; A1026-L1305 HydrophobicContact CB-CD1 3.95Å; A1026-L1305 HydrophobicContact CB-CD2 4.16Å; A1026-I1340 HydrophobicContact CB-CD1 3.66Å
1027V94.6Very high94.3Very high12 Ų1216.5 Ų16.57%0.0739%0.09CC..Hα-helixtrans-61.1-44.31791700000110.9T1023 D1024 I1030 H1031 L1055 K1058 I1059 L1062T1023-V1027 HydrophobicContact CG2-CG2 4.44Å; T1023-V1027 WeakPolarHBondContact O-CB 3.36Å; T1023-V1027 WeakPolarHBondContact O-CG2 3.35Å; T1023-V1027 PolarHBondContact O-N 3.01Å; D1024-V1027 PolarHBondContact O-N 3.03Å; V1027-I1030 PolarHBondContact O-N 3.48Å; V1027-H1031 WeakPolarHBondContact O-CB 3.38Å; V1027-H1031 PolarHBondContact O-N 2.91Å; V1027-L1055 HydrophobicContact CG2-CD1 3.61Å; V1027-K1058 HydrophobicContact CG1-CB 4.42Å; V1027-K1058 HydrophobicContact CG2-CB 3.67Å; V1027-K1058 HydrophobicContact CG2-CD 4.22Å; V1027-I1059 HydrophobicContact CG2-CG1 4.25Å; V1027-L1062 HydrophobicContact CG1-CD1 3.46Å; V1027-L1062 VanDerWaalsContact CG1-CD1 3.46Å; V1027-L1062 HydrophobicContact CG1-CD2 3.89Å; V1027-L1062 HydrophobicContact CG1-CG 3.85Å
1028Q94.9Very high94Very high8 Ų820 Ų204%0.03711%0.113CC..Hα-helixtrans-66.6-39178.4-168.167.850.200112.6D854 T855 F995 I1003 D1024 V1025 I1030 H1031 N1032D854-Q1028 PolarHBondContact OD1-NE2 3.39Å; D854-Q1028 VanDerWaalsContact OD1-NE2 3.14Å; T855-Q1028 HydrophobicContact CG2-CG 4.19Å; T855-Q1028 PolarHBondContact OG1-NE2 2.84Å; T855-Q1028 VanDerWaalsContact OG1-NE2 3.15Å; F995-Q1028 HydrophobicContact CE2-CB 4.08Å; F995-Q1028 HydrophobicContact CE2-CG 3.75Å; F995-Q1028 HydrophobicContact CZ-CB 3.79Å; F995-Q1028 HydrophobicContact CZ-CG 4.01Å; I1003-Q1028 HydrophobicContact CD1-CB 4.05Å; I1003-Q1028 HydrophobicContact CD1-CG 3.87Å; I1003-Q1028 HydrophobicContact CG1-CB 4.37Å; I1003-Q1028 HydrophobicContact CG1-CG 4.44Å; D1024-Q1028 PolarHBondContact O-N 2.85Å; V1025-Q1028 PolarHBondContact O-N 3.45Å; Q1028-I1030 VanDerWaalsContact C-N 3.34Å; Q1028-H1031 PolarHBondContact NE2-ND1 3.5Å; Q1028-H1031 PolarHBondContact O-N 3.46Å; Q1028-N1032 PolarHBondContact NE2-OD1 2.86Å; Q1028-N1032 WeakPolarHBondContact O-CB 3.48Å; Q1028-N1032 VanDerWaalsContact O-CG 3.23Å; Q1028-N1032 PolarHBondContact O-N 3.4Å; Q1028-N1032 PolarHBondContact O-OD1 3.02Å
1029I96.6Very high93.9Very high0 Ų026.4 Ų26.40%015%0.147CC..Hα-helixtrans-58.8-48.4173.3-72.3166000110I1003 V1025 A1026 H1031 N1032 L1033 I1338I1003-I1029 HydrophobicContact CB-CG1 4.29Å; I1003-I1029 HydrophobicContact CG1-CG1 4.16Å; I1003-I1029 HydrophobicContact CG2-CG1 4.34Å; V1025-I1029 HydrophobicContact CG1-CD1 3.88Å; V1025-I1029 VanDerWaalsContact O-CG1 3.28Å; V1025-I1029 WeakPolarHBondContact O-CG1 3.18Å; V1025-I1029 PolarHBondContact O-N 3.1Å; A1026-I1029 PolarHBondContact O-N 2.87Å; I1029-H1031 VanDerWaalsContact C-N 3.35Å; I1029-H1031 PolarHBondContact O-N 3Å; I1029-N1032 PolarHBondContact O-N 3.31Å; I1029-L1033 HydrophobicContact CG2-CD1 3.77Å; I1029-L1033 HydrophobicContact CG2-CG 4.23Å; I1029-L1033 WeakPolarHBondContact O-CB 3.44Å; I1029-L1033 VanDerWaalsContact O-CG 3.26Å; I1029-L1033 WeakPolarHBondContact O-CG 3.41Å; I1029-L1033 PolarHBondContact O-N 3.3Å; I1029-I1338 HydrophobicContact CD1-CG2 4.31Å; I1029-I1338 HydrophobicContact CG2-CD1 3.57Å
1030I95.6Very high94.1Very high0 Ų026.9 Ų26.90%014%0.144CC..Hα-helixtrans-60.1-46.6179.5-68.4160.8000110.6A1026 V1027 Q1028 N1032 L1033 Y1034 I1042 I1044 I1059 I1279 L1305A1026-I1030 WeakPolarHBondContact O-CD1 3.05Å; A1026-I1030 VanDerWaalsContact O-CG1 3.28Å; A1026-I1030 WeakPolarHBondContact O-CG1 3.48Å; A1026-I1030 PolarHBondContact O-N 2.74Å; V1027-I1030 PolarHBondContact O-N 3.48Å; Q1028-I1030 VanDerWaalsContact C-N 3.34Å; I1030-N1032 PolarHBondContact O-N 3.12Å; I1030-L1033 PolarHBondContact O-N 3.42Å; I1030-Y1034 VanDerWaalsContact O-CB 3.27Å; I1030-Y1034 WeakPolarHBondContact O-CB 3.31Å; I1030-Y1034 PolarHBondContact O-N 3.36Å; I1030-I1042 HydrophobicContact CG1-CG2 4.41Å; I1030-I1042 HydrophobicContact CG2-CD1 4.2Å; I1030-I1044 HydrophobicContact CD1-CD1 3.53Å; I1030-I1044 HydrophobicContact CD1-CG1 4.08Å; I1030-I1044 HydrophobicContact CG1-CD1 4.48Å; I1030-I1059 HydrophobicContact CD1-CD1 3.66Å; I1030-I1059 HydrophobicContact CD1-CG1 4.32Å; I1030-I1279 HydrophobicContact CG2-CD1 3.59Å; I1030-I1279 HydrophobicContact CG2-CG1 4.27Å; I1030-L1305 HydrophobicContact CD1-CD1 4.04Å; I1030-L1305 HydrophobicContact CG1-CD1 4.01Å
1031H94.1Very high94.1Very high13 Ų1327.3 Ų27.36%0.0615%0.146CC..Hα-helixtrans-56.9-51.2177.2-174.1-129.3000111.6D854 V1027 Q1028 I1029 L1033 Y1034 H1035 L1062D854-H1031 IonicContact OD1-CE1 3.66Å; D854-H1031 PolarHBondContact OD1-CE1 3.19Å; D854-H1031 VanDerWaalsContact OD1-CE1 3.26Å; D854-H1031 IonicContact OD1-ND1 3.3Å; D854-H1031 PolarHBondContact OD1-ND1 3.32Å; V1027-H1031 WeakPolarHBondContact O-CB 3.38Å; V1027-H1031 PolarHBondContact O-N 2.91Å; Q1028-H1031 PolarHBondContact NE2-ND1 3.5Å; Q1028-H1031 PolarHBondContact O-N 3.46Å; I1029-H1031 VanDerWaalsContact C-N 3.35Å; I1029-H1031 PolarHBondContact O-N 3Å; H1031-L1033 PolarHBondContact O-N 3.11Å; H1031-Y1034 PolarHBondContact O-N 3.11Å; H1031-H1035 AromaticContact CD2-CD2 3.56Å; H1031-H1035 AromaticContact CD2-NE2 3.49Å; H1031-H1035 PolarHBondContact CD2-NE2 2.9Å; H1031-H1035 AromaticContact NE2-CD2 3.59Å; H1031-H1035 AromaticContact NE2-NE2 3.36Å; H1031-H1035 PolarHBondContact NE2-NE2 2.89Å; H1031-H1035 PolarHBondContact O-CD2 3.26Å; H1031-H1035 PolarHBondContact O-N 2.92Å; H1031-L1062 HydrophobicContact CB-CD1 3.78Å
1032N95.1Very high94.4Very high0 Ų026.8 Ų26.80%014%0.139CC..Hα-helixtrans-63.3-44.6180-68.7-4.9000111.2T855 M1007 Q1028 I1029 I1030 N1036T855-N1032 PolarHBondContact OG1-ND2 2.93Å; T855-N1032 VanDerWaalsContact OG1-ND2 3.09Å; T855-N1032 PolarHBondContact OG1-OD1 2.85Å; M1007-N1032 HydrophobicContact CE-CB 3.79Å; M1007-N1032 HydrophobicContact CG-CB 4.15Å; M1007-N1032 HydrophobicContact SD-CB 3.56Å; M1007-N1032 VanDerWaalsContact SD-CB 3.56Å; M1007-N1032 PolarHBondContact SD-ND2 2.96Å; Q1028-N1032 PolarHBondContact NE2-OD1 2.86Å; Q1028-N1032 WeakPolarHBondContact O-CB 3.48Å; Q1028-N1032 VanDerWaalsContact O-CG 3.23Å; Q1028-N1032 PolarHBondContact O-N 3.4Å; Q1028-N1032 PolarHBondContact O-OD1 3.02Å; I1029-N1032 PolarHBondContact O-N 3.31Å; I1030-N1032 PolarHBondContact O-N 3.12Å; N1032-N1036 WeakPolarHBondContact O-CB 3.21Å; N1032-N1036 PolarHBondContact O-N 2.79Å; N1032-N1036 PolarHBondContact O-ND2 2.82Å
1033L96.1Very high94.6Very high3 Ų325.8 Ų25.82%0.01614%0.135CC..Hα-helixtrans-64.5-43.3179.7-73.7-179.3000112.4M1007 I1029 I1030 H1031 H1035 N1036 Y1037 I1042 T1303 I1338M1007-L1033 HydrophobicContact CB-CD2 4.47Å; M1007-L1033 HydrophobicContact CG-CD2 4.43Å; I1029-L1033 HydrophobicContact CG2-CD1 3.77Å; I1029-L1033 HydrophobicContact CG2-CG 4.23Å; I1029-L1033 WeakPolarHBondContact O-CB 3.44Å; I1029-L1033 VanDerWaalsContact O-CG 3.26Å; I1029-L1033 WeakPolarHBondContact O-CG 3.41Å; I1029-L1033 PolarHBondContact O-N 3.3Å; I1030-L1033 PolarHBondContact O-N 3.42Å; H1031-L1033 PolarHBondContact O-N 3.11Å; L1033-H1035 VanDerWaalsContact C-N 3.34Å; L1033-H1035 PolarHBondContact O-N 3.09Å; L1033-N1036 PolarHBondContact O-N 2.85Å; L1033-Y1037 HydrophobicContact CD2-CD2 3.84Å; L1033-Y1037 HydrophobicContact CD2-CE2 3.64Å; L1033-Y1037 WeakPolarHBondContact O-CD2 3.27Å; L1033-Y1037 PolarHBondContact O-N 2.76Å; L1033-I1042 HydrophobicContact CB-CD1 3.81Å; L1033-I1042 HydrophobicContact CD1-CD1 4.48Å; L1033-T1303 HydrophobicContact CD1-CG2 3.82Å; L1033-I1338 HydrophobicContact CD1-CD1 4.38Å
1034Y94.8Very high94.8Very high28 Ų2824.8 Ų24.811%0.1113%0.128CC..Hα-helixtrans-57.8-45.3179.7172.1-104.3000112I1030 H1031 Y1037 P1038 V1064 D1065 H1068 I1279I1030-Y1034 VanDerWaalsContact O-CB 3.27Å; I1030-Y1034 WeakPolarHBondContact O-CB 3.31Å; I1030-Y1034 PolarHBondContact O-N 3.36Å; H1031-Y1034 PolarHBondContact O-N 3.11Å; Y1034-Y1037 CarbonylContact O-C 3.57Å; Y1034-P1038 WeakPolarHBondContact O-CA 3.24Å; Y1034-V1064 HydrophobicContact CD1-CG1 4.46Å; Y1034-V1064 HydrophobicContact CD1-CG2 3.99Å; Y1034-V1064 HydrophobicContact CD2-CG1 4.35Å; Y1034-V1064 HydrophobicContact CE1-CB 4.28Å; Y1034-V1064 HydrophobicContact CE1-CG1 4.1Å; Y1034-V1064 HydrophobicContact CE1-CG2 4.18Å; Y1034-V1064 HydrophobicContact CE2-CG1 3.98Å; Y1034-V1064 HydrophobicContact CG-CG2 4.37Å; Y1034-D1065 PolarHBondContact OH-N 3.21Å; Y1034-H1068 HydrophobicContact CE2-CB 4.26Å; Y1034-H1068 AromaticContact CE2-ND1 3.42Å; Y1034-H1068 WeakPolarHBondContact CE2-ND1 3.42Å; Y1034-H1068 AromaticContact CZ-ND1 3.56Å; Y1034-H1068 PolarHBondContact OH-ND1 3.32Å; Y1034-I1279 HydrophobicContact CD2-CD1 4.23Å
1035H91.8Very high94.9Very high65 Ų6521.5 Ų21.530%0.30111%0.111SC..Hα-helixtrans-81.5-30-179.4-69.5-64.9000114.3L853 H1031 L1033 D1063L853-H1035 HydrophobicContact CD1-CB 3.82Å; L853-H1035 WeakPolarHBondContact CD1-CD2 3.43Å; H1031-H1035 AromaticContact CD2-CD2 3.56Å; H1031-H1035 AromaticContact CD2-NE2 3.49Å; H1031-H1035 PolarHBondContact CD2-NE2 2.9Å; H1031-H1035 AromaticContact NE2-CD2 3.59Å; H1031-H1035 AromaticContact NE2-NE2 3.36Å; H1031-H1035 PolarHBondContact NE2-NE2 2.89Å; H1031-H1035 PolarHBondContact O-CD2 3.26Å; H1031-H1035 PolarHBondContact O-N 2.92Å; L1033-H1035 VanDerWaalsContact C-N 3.34Å; L1033-H1035 PolarHBondContact O-N 3.09Å; H1035-D1063 PolarHBondContact CE1-O 2.72Å; H1035-D1063 PolarHBondContact NE2-O 3.21Å
1036N93.9Very high94.9Very high39 Ų3921.5 Ų21.521%0.20911%0.111CC..Hα-helixtrans-72.9-34.5174.2-79.7-70.2000111.9N851 M1007 N1032 L1033N851-N1036 WeakPolarHBondContact CA-OD1 3.28Å; N851-N1036 WeakPolarHBondContact CB-OD1 3.42Å; N851-N1036 PolarHBondContact N-OD1 3.26Å; N851-N1036 PolarHBondContact O-ND2 3.19Å; M1007-N1036 WeakPolarHBondContact CE-ND2 3.37Å; N1032-N1036 WeakPolarHBondContact O-CB 3.21Å; N1032-N1036 PolarHBondContact O-N 2.79Å; N1032-N1036 PolarHBondContact O-ND2 2.82Å; L1033-N1036 PolarHBondContact O-N 2.85Å
1037Y95.1Very high94.5Very high28 Ų2824.3 Ų24.311%0.1112%0.124CC..  trans-133.669.4-173.7-43.5-76.1000111.8E847 L1033 Y1034 N1039 Q1040E847-Y1037 PolarHBondContact OE1-OH 2.91Å; E847-Y1037 WeakPolarHBondContact OE2-CE1 3.49Å; E847-Y1037 VanDerWaalsContact OE2-CZ 3.27Å; E847-Y1037 PolarHBondContact OE2-OH 2.81Å; L1033-Y1037 HydrophobicContact CD2-CD2 3.84Å; L1033-Y1037 HydrophobicContact CD2-CE2 3.64Å; L1033-Y1037 WeakPolarHBondContact O-CD2 3.27Å; L1033-Y1037 PolarHBondContact O-N 2.76Å; Y1034-Y1037 CarbonylContact O-C 3.57Å; Y1037-N1039 PolarHBondContact O-N 3.05Å; Y1037-Q1040 HydrophobicContact CG-CG 4.48Å; Y1037-Q1040 WeakPolarHBondContact O-CB 3.3Å; Y1037-Q1040 PolarHBondContact O-N 2.95Å
1038P89.3Confident94.1Very high74 Ų7425.3 Ų25.348%0.48113%0.131SC..THydrogen-bonded Turntrans-60.5-22-175.823.5-34.8000114.3Y1034Y1034-P1038 WeakPolarHBondContact O-CA 3.24Å
1039N91Very high93.7Very high135 Ų13528 Ų2872%0.72215%0.146SC*.THydrogen-bonded Turntrans-88.4-2.1177.4-62.6-19.7000113.7Y1037Y1037-N1039 PolarHBondContact O-N 3.05Å
1040Q95Very high93.1Very high31 Ų3132.1 Ų32.115%0.14517%0.165CC..SBendtrans-100149.5-179.4-66.7-172.827.300110.9Y1037 D1302Y1037-Q1040 HydrophobicContact CG-CG 4.48Å; Y1037-Q1040 WeakPolarHBondContact O-CB 3.3Å; Y1037-Q1040 PolarHBondContact O-N 2.95Å; Q1040-D1302 WeakPolarHBondContact CA-OD2 3.36Å; Q1040-D1302 HydrophobicContact CB-CB 3.88Å; Q1040-D1302 HydrophobicContact CG-CB 4.15Å
1041R96.2Very high92.7Very high10 Ų1032.5 Ų32.54%0.03817%0.169CC..  trans-111.7137.7-175-49.1177.770.3-164.613.4111L1273 I1274 A1277 K1278 T1300 D1302 T1303R1041-L1273 PolarHBondContact NH2-O 3.15Å; R1041-I1274 PolarHBondContact NH1-O 3.31Å; R1041-I1274 PolarHBondContact NH2-O 3.38Å; R1041-A1277 PolarHBondContact NE-O 3.08Å; R1041-A1277 PolarHBondContact NH2-O 3.12Å; R1041-K1278 CarbonylContact C-O 3.55Å; R1041-K1278 WeakPolarHBondContact CA-O 3.48Å; R1041-T1300 WeakPolarHBondContact CD-O 3.4Å; R1041-T1300 PolarHBondContact NH1-O 2.9Å; R1041-D1302 PolarHBondContact N-OD2 2.92Å; R1041-D1302 VanDerWaalsContact N-OD2 3.09Å; R1041-D1302 PolarHBondContact O-N 3.49Å; R1041-T1303 PolarHBondContact O-N 2.7Å
1042I97.8Very high92.6Very high5 Ų532 Ų323%0.02617%0.166CC..EExtended strand (participates in β ladder)trans-113.7119-176.4-53.1175.1000107.9I1030 L1033 I1044 K1278 I1279 I1280 T1303I1030-I1042 HydrophobicContact CG1-CG2 4.41Å; I1030-I1042 HydrophobicContact CG2-CD1 4.2Å; L1033-I1042 HydrophobicContact CB-CD1 3.81Å; L1033-I1042 HydrophobicContact CD1-CD1 4.48Å; I1042-I1044 HydrophobicContact CG2-CG1 4.3Å; I1042-K1278 PolarHBondContact N-O 3.01Å; I1042-I1279 HydrophobicContact CB-CG1 4.27Å; I1042-I1279 HydrophobicContact CD1-CG1 4.28Å; I1042-I1279 WeakPolarHBondContact O-CA 3.45Å; I1042-I1280 PolarHBondContact O-N 2.92Å; I1042-T1303 WeakPolarHBondContact CA-O 3.48Å; I1042-T1303 HydrophobicContact CG2-CG2 4.34Å
1043L97.4Very high92.3Very high0 Ų032.5 Ų32.50%017%0.169CC..EExtended strand (participates in β ladder)trans-97.9119.8171.2176.463.2000109V1045 I1280 M1282 F1299 Y1301 T1303 I1304 L1305 L1323L1043-V1045 HydrophobicContact CD1-CG2 4.23Å; L1043-V1045 HydrophobicContact CD2-CG2 4.05Å; L1043-V1045 HydrophobicContact CG-CG2 3.77Å; L1043-I1280 CarbonylContact C-O 3.58Å; L1043-I1280 WeakPolarHBondContact CA-O 3.35Å; L1043-I1280 HydrophobicContact CD1-CB 4.36Å; L1043-I1280 HydrophobicContact CD1-CG2 4.33Å; L1043-M1282 HydrophobicContact CD1-CE 3.74Å; L1043-M1282 HydrophobicContact CD1-CG 4.06Å; L1043-M1282 HydrophobicContact CD1-SD 4.05Å; L1043-F1299 HydrophobicContact CD1-CE1 4.29Å; L1043-F1299 HydrophobicContact CD1-CZ 4.17Å; L1043-F1299 HydrophobicContact CD2-CE1 4.3Å; L1043-Y1301 HydrophobicContact CB-CD1 4.34Å; L1043-Y1301 HydrophobicContact CB-CD2 4.21Å; L1043-Y1301 HydrophobicContact CB-CG 3.96Å; L1043-Y1301 HydrophobicContact CD2-CD1 4.03Å; L1043-Y1301 HydrophobicContact CD2-CD2 4.4Å; L1043-Y1301 HydrophobicContact CD2-CE1 3.91Å; L1043-Y1301 HydrophobicContact CD2-CE2 4.28Å; L1043-Y1301 HydrophobicContact CD2-CG 4.3Å; L1043-T1303 PolarHBondContact N-O 3.46Å; L1043-I1304 HydrophobicContact CB-CG1 4.35Å; L1043-I1304 HydrophobicContact CD2-CG1 4.26Å; L1043-I1304 CarbonylContact O-C 3.55Å; L1043-I1304 WeakPolarHBondContact O-CA 3.32Å; L1043-L1305 PolarHBondContact O-N 2.62Å; L1043-L1323 HydrophobicContact CD2-CD1 3.88Å
1044I97.7Very high92Very high1 Ų136 Ų361%0.00519%0.186CC..EExtended strand (participates in β ladder)trans-101.4126.4175.2-58.9172.3000108.3I1030 I1042 L1052 L1055 I1059 I1279 I1280 A1281 M1282 L1305I1030-I1044 HydrophobicContact CD1-CD1 3.53Å; I1030-I1044 HydrophobicContact CD1-CG1 4.08Å; I1030-I1044 HydrophobicContact CG1-CD1 4.48Å; I1042-I1044 HydrophobicContact CG2-CG1 4.3Å; I1044-L1052 HydrophobicContact CG2-CD1 4.13Å; I1044-L1055 HydrophobicContact CG2-CD2 3.41Å; I1044-L1055 VanDerWaalsContact CG2-CD2 3.41Å; I1044-L1055 HydrophobicContact CG2-CG 4.41Å; I1044-I1059 HydrophobicContact CD1-CD1 3.37Å; I1044-I1279 HydrophobicContact CD1-CG2 3.52Å; I1044-I1279 HydrophobicContact CG1-CG2 4.28Å; I1044-I1280 PolarHBondContact N-O 3.2Å; I1044-A1281 HydrophobicContact CB-CB 4.15Å; I1044-A1281 WeakPolarHBondContact O-CA 3.27Å; I1044-M1282 PolarHBondContact O-N 3.34Å; I1044-L1305 WeakPolarHBondContact CA-O 3.4Å; I1044-L1305 HydrophobicContact CG2-CD2 4.3Å
1045V95.4Very high91.8Very high0 Ų034.8 Ų34.80%018%0.181CC..EExtended strand (participates in β ladder)trans-128.9134.9179.2-165.90000110.8L1043 M1282 C1284 L1305 M1306 E1307 P1320L1043-V1045 HydrophobicContact CD1-CG2 4.23Å; L1043-V1045 HydrophobicContact CD2-CG2 4.05Å; L1043-V1045 HydrophobicContact CG-CG2 3.77Å; V1045-M1282 VanDerWaalsContact CA-O 3.29Å; V1045-M1282 WeakPolarHBondContact CA-O 3.44Å; V1045-M1282 HydrophobicContact CG2-CG 4.39Å; V1045-C1284 HydrophobicContact CG1-CB 4.22Å; V1045-C1284 WeakPolarHBondContact CG1-SG 3.49Å; V1045-L1305 PolarHBondContact N-O 3.46Å; V1045-M1306 HydrophobicContact CB-CG 4.22Å; V1045-M1306 VanDerWaalsContact O-CA 3.28Å; V1045-M1306 WeakPolarHBondContact O-CA 3.48Å; V1045-E1307 PolarHBondContact O-N 3.47Å; V1045-P1320 HydrophobicContact CG1-CG 4.03Å; V1045-P1320 HydrophobicContact CG2-CB 4.08Å; V1045-P1320 HydrophobicContact CG2-CG 4.28Å
1046T93.7Very high91.8Very high0 Ų031.7 Ų31.70%017%0.166CC..EExtended strand (participates in β ladder)trans-134.7164.4173.872.30000111.7S1048 A1051 L1052 L1055 M1282 T1283 C1284 E1307T1046-S1048 PolarHBondContact OG1-O 3.48Å; T1046-A1051 HydrophobicContact CG2-CB 4.46Å; T1046-L1052 HydrophobicContact CG2-CB 4.38Å; T1046-L1052 HydrophobicContact CG2-CD1 3.72Å; T1046-L1052 VanDerWaalsContact OG1-CB 3.31Å; T1046-L1052 WeakPolarHBondContact OG1-CB 3.22Å; T1046-L1052 PolarHBondContact OG1-N 2.77Å; T1046-L1055 HydrophobicContact CG2-CD2 4.49Å; T1046-M1282 PolarHBondContact N-O 3.4Å; T1046-T1283 VanDerWaalsContact O-CA 3.3Å; T1046-T1283 WeakPolarHBondContact O-CA 3.41Å; T1046-C1284 PolarHBondContact O-N 3.02Å; T1046-E1307 HydrophobicContact CG2-CB 4Å
1047H87.9Confident91.7Very high59 Ų5932.7 Ų32.727%0.27317%0.17SC..SBendtrans-72.7-25.4178.976.3-83.1000113.5E1308 Q1311 I1312H1047-E1308 VanDerWaalsContact ND1-CB 3.28Å; H1047-E1308 WeakPolarHBondContact ND1-CB 3.35Å; H1047-Q1311 PolarHBondContact NE2-OE1 2.88Å; H1047-I1312 HydrophobicContact CB-CD1 4.12Å; H1047-I1312 HydrophobicContact CB-CG1 3.47Å; H1047-I1312 VanDerWaalsContact CB-CG1 3.47Å
1048S86.4Confident91.5Very high32 Ų3235.1 Ų35.122%0.22418%0.181CC..SBendtrans-142.8150-173.565.50000112.7T1046 Q1050 A1051 L1052T1046-S1048 PolarHBondContact OG1-O 3.48Å; S1048-Q1050 PolarHBondContact O-N 3.25Å; S1048-A1051 PolarHBondContact O-N 3.43Å; S1048-A1051 PolarHBondContact OG-N 2.91Å; S1048-L1052 PolarHBondContact O-N 2.81Å
1049N86.4Confident91.6Very high66 Ų6631.7 Ų31.735%0.35316%0.158SC..Hα-helixtrans-57.2-34.9175.6-71.2-40000112.1L1052 N1053 R1071 T1283N1049-L1052 PolarHBondContact O-N 3.08Å; N1049-N1053 WeakPolarHBondContact O-CB 3.49Å; N1049-N1053 PolarHBondContact O-N 3.43Å; N1049-N1053 PolarHBondContact O-OD1 2.95Å; N1049-R1071 PolarHBondContact OD1-NH2 3.39Å; N1049-T1283 VanDerWaalsContact OD1-CG2 3.26Å; N1049-T1283 WeakPolarHBondContact OD1-CG2 3.35Å
1050Q84.6Confident91.5Very high85 Ų8527 Ų2740%0.39713%0.133SC..Hα-helixtrans-64.2-48.4178.7-178.317319.300112S1048 L1052 N1053 Q1054S1048-Q1050 PolarHBondContact O-N 3.25Å; Q1050-L1052 VanDerWaalsContact C-N 3.31Å; Q1050-L1052 PolarHBondContact O-N 2.44Å; Q1050-N1053 PolarHBondContact O-N 2.94Å; Q1050-Q1054 WeakPolarHBondContact O-CG 3.44Å; Q1050-Q1054 PolarHBondContact O-N 3.24Å; Q1050-Q1054 VanDerWaalsContact O-N 3.15Å
1051A86.5Confident91Very high9 Ų928 Ų287%0.07415%0.146CC..Hα-helixtrans-62.9-41.1176.700000111T1046 S1048 N1053 L1055T1046-A1051 HydrophobicContact CG2-CB 4.46Å; S1048-A1051 PolarHBondContact O-N 3.43Å; S1048-A1051 PolarHBondContact OG-N 2.91Å; A1051-N1053 PolarHBondContact O-N 3.03Å; A1051-L1055 PolarHBondContact O-N 2.94Å; A1051-L1055 VanDerWaalsContact O-N 3.16Å
1052L91.8Very high90.4Very high1 Ų128.3 Ų28.31%0.00515%0.149CC..Hα-helixtrans-59.9-48177.4-161.666.6000112I1044 T1046 S1048 N1049 Q1050 L1055 F1056 A1281 M1282 T1283I1044-L1052 HydrophobicContact CG2-CD1 4.13Å; T1046-L1052 HydrophobicContact CG2-CB 4.38Å; T1046-L1052 HydrophobicContact CG2-CD1 3.72Å; T1046-L1052 VanDerWaalsContact OG1-CB 3.31Å; T1046-L1052 WeakPolarHBondContact OG1-CB 3.22Å; T1046-L1052 PolarHBondContact OG1-N 2.77Å; S1048-L1052 PolarHBondContact O-N 2.81Å; N1049-L1052 PolarHBondContact O-N 3.08Å; Q1050-L1052 VanDerWaalsContact C-N 3.31Å; Q1050-L1052 PolarHBondContact O-N 2.44Å; L1052-L1055 PolarHBondContact O-N 2.84Å; L1052-F1056 WeakPolarHBondContact O-CB 3.4Å; L1052-F1056 PolarHBondContact O-N 3.49Å; L1052-A1281 HydrophobicContact CD1-CB 3.92Å; L1052-A1281 HydrophobicContact CD2-CB 4.46Å; L1052-A1281 HydrophobicContact CG-CB 4.27Å; L1052-M1282 WeakPolarHBondContact CD1-O 3.38Å; L1052-T1283 HydrophobicContact CD2-CG2 4.24Å
1053N90.5Very high89.5Confident12 Ų1231.7 Ų31.76%0.06417%0.167CC..Hα-helixtrans-65.4-43.3-176.2-70.38.4000110.9N1049 Q1050 A1051 L1055 F1056 E1057 G1075 G1078 L1079N1049-N1053 WeakPolarHBondContact O-CB 3.49Å; N1049-N1053 PolarHBondContact O-N 3.43Å; N1049-N1053 PolarHBondContact O-OD1 2.95Å; Q1050-N1053 PolarHBondContact O-N 2.94Å; A1051-N1053 PolarHBondContact O-N 3.03Å; N1053-L1055 PolarHBondContact O-N 3.13Å; N1053-F1056 PolarHBondContact O-N 3.32Å; N1053-E1057 WeakPolarHBondContact O-CB 3.39Å; N1053-E1057 VanDerWaalsContact O-CG 3.22Å; N1053-E1057 WeakPolarHBondContact O-CG 3.36Å; N1053-E1057 PolarHBondContact O-N 3.21Å; N1053-G1075 PolarHBondContact ND2-O 3.15Å; N1053-G1078 VanDerWaalsContact ND2-C 3.26Å; N1053-G1078 PolarHBondContact ND2-O 3.06Å; N1053-L1079 HydrophobicContact CB-CD2 3.75Å
1054Q88.4Confident88.9Confident77 Ų7732 Ų3236%0.3617%0.168SC..Hα-helixtrans-59.8-42.9176.3-72.1176.69.700113.1Q1050 K1058Q1050-Q1054 WeakPolarHBondContact O-CG 3.44Å; Q1050-Q1054 PolarHBondContact O-N 3.24Å; Q1050-Q1054 VanDerWaalsContact O-N 3.15Å; Q1054-K1058 PolarHBondContact O-N 3.46Å
1055L90.9Very high88.4Confident1 Ų134 Ų341%0.00518%0.18CC..Hα-helixtrans-66.6-44.4175.9177.357.8000110.9T1023 A1026 V1027 I1044 T1046 A1051 L1052 N1053 K1058 I1059 L1305 E1307T1023-L1055 HydrophobicContact CG2-CB 4.13Å; T1023-L1055 HydrophobicContact CG2-CD1 3.71Å; A1026-L1055 HydrophobicContact CB-CD1 3.96Å; V1027-L1055 HydrophobicContact CG2-CD1 3.61Å; I1044-L1055 HydrophobicContact CG2-CD2 3.41Å; I1044-L1055 VanDerWaalsContact CG2-CD2 3.41Å; I1044-L1055 HydrophobicContact CG2-CG 4.41Å; T1046-L1055 HydrophobicContact CG2-CD2 4.49Å; A1051-L1055 PolarHBondContact O-N 2.94Å; A1051-L1055 VanDerWaalsContact O-N 3.16Å; L1052-L1055 PolarHBondContact O-N 2.84Å; N1053-L1055 PolarHBondContact O-N 3.13Å; L1055-K1058 PolarHBondContact O-N 3.27Å; L1055-I1059 HydrophobicContact CD1-CD1 4.3Å; L1055-I1059 HydrophobicContact CG-CD1 4.13Å; L1055-I1059 WeakPolarHBondContact O-CG1 3.36Å; L1055-I1059 PolarHBondContact O-N 3.46Å; L1055-L1305 HydrophobicContact CD2-CD2 4Å; L1055-E1307 HydrophobicContact CD2-CB 4.3Å
1056F93Very high88Confident1 Ų136.5 Ų36.50%0.00419%0.191CC..Hα-helixtrans-67.4-40.4-177.3-161.4-100.4000112.7L1052 N1053 K1058 I1059 I1060 L1069 R1071 L1079 F1085 A1281L1052-F1056 WeakPolarHBondContact O-CB 3.4Å; L1052-F1056 PolarHBondContact O-N 3.49Å; N1053-F1056 PolarHBondContact O-N 3.32Å; F1056-K1058 VanDerWaalsContact C-N 3.31Å; F1056-K1058 PolarHBondContact O-N 3.44Å; F1056-I1059 WeakPolarHBondContact O-CB 3.26Å; F1056-I1059 PolarHBondContact O-N 3.22Å; F1056-I1060 HydrophobicContact CD1-CD1 3.58Å; F1056-I1060 HydrophobicContact CD1-CG1 4.05Å; F1056-I1060 HydrophobicContact CE1-CD1 3.74Å; F1056-I1060 HydrophobicContact CE1-CG1 4.02Å; F1056-I1060 WeakPolarHBondContact O-CG1 3.07Å; F1056-I1060 PolarHBondContact O-N 3.1Å; F1056-L1069 HydrophobicContact CZ-CB 4.03Å; F1056-R1071 HydrophobicContact CD1-CB 4.41Å; F1056-R1071 HydrophobicContact CE1-CB 3.97Å; F1056-R1071 HydrophobicContact CE2-CB 4.16Å; F1056-R1071 HydrophobicContact CZ-CB 3.83Å; F1056-L1079 HydrophobicContact CB-CD2 4.41Å; F1056-L1079 HydrophobicContact CD1-CD1 4.25Å; F1056-L1079 HydrophobicContact CD1-CD2 4.02Å; F1056-L1079 HydrophobicContact CE1-CD1 4.43Å; F1056-F1085 HydrophobicContact CE1-CB 3.73Å; F1056-F1085 AromaticContact CE1-CD1 3.87Å; F1056-F1085 HydrophobicContact CE1-CD1 3.87Å; F1056-F1085 AromaticContact CE1-CD2 3.94Å; F1056-F1085 HydrophobicContact CE1-CD2 3.94Å; F1056-F1085 HydrophobicContact CE1-CE1 4.47Å; F1056-F1085 AromaticContact CE1-CG 3.58Å; F1056-F1085 HydrophobicContact CE1-CG 3.58Å; F1056-F1085 HydrophobicContact CZ-CB 4.07Å; F1056-F1085 HydrophobicContact CZ-CD1 4.01Å; F1056-F1085 HydrophobicContact CZ-CG 4.08Å; F1056-A1281 HydrophobicContact CD2-CB 3.5Å; F1056-A1281 HydrophobicContact CE2-CB 3.78Å
1057E91.4Very high87.7Confident60 Ų6037.5 Ų37.528%0.2820%0.195SC..Hα-helixtrans-57.9-41.2174.4-76.1160.9-168.400112.1N1053 I1059 I1060 A1061 L1079 D1080N1053-E1057 WeakPolarHBondContact O-CB 3.39Å; N1053-E1057 VanDerWaalsContact O-CG 3.22Å; N1053-E1057 WeakPolarHBondContact O-CG 3.36Å; N1053-E1057 PolarHBondContact O-N 3.21Å; E1057-I1059 VanDerWaalsContact C-N 3.33Å; E1057-I1059 PolarHBondContact O-N 2.75Å; E1057-I1060 PolarHBondContact O-N 3.46Å; E1057-A1061 PolarHBondContact O-N 2.97Å; E1057-L1079 HydrophobicContact CG-CD2 4.34Å; E1057-D1080 PolarHBondContact OE1-N 3.36Å
1058K90.3Very high88Confident79 Ų7935.5 Ų35.534%0.34319%0.186SC..Hα-helixtrans-66.8-33.8174.1-72.6-171.6177.1-173.40112.8T1023 D1024 V1027 Q1054 L1055 F1056 A1061T1023-K1058 HydrophobicContact CG2-CD 3.92Å; D1024-K1058 IonicContact OD1-NZ 2.66Å; D1024-K1058 PolarHBondContact OD1-NZ 3.21Å; D1024-K1058 IonicContact OD2-NZ 2.84Å; V1027-K1058 HydrophobicContact CG1-CB 4.42Å; V1027-K1058 HydrophobicContact CG2-CB 3.67Å; V1027-K1058 HydrophobicContact CG2-CD 4.22Å; Q1054-K1058 PolarHBondContact O-N 3.46Å; L1055-K1058 PolarHBondContact O-N 3.27Å; F1056-K1058 VanDerWaalsContact C-N 3.31Å; F1056-K1058 PolarHBondContact O-N 3.44Å; K1058-A1061 PolarHBondContact O-N 3.34Å
1059I91.1Very high88.4Confident1 Ų134.1 Ų34.11%0.00518%0.175CC..Hα-helixtrans-70.9-38.3176.7-63.9163000111V1027 I1030 I1044 L1055 F1056 E1057 A1061 L1062 L1069 I1279V1027-I1059 HydrophobicContact CG2-CG1 4.25Å; I1030-I1059 HydrophobicContact CD1-CD1 3.66Å; I1030-I1059 HydrophobicContact CD1-CG1 4.32Å; I1044-I1059 HydrophobicContact CD1-CD1 3.37Å; L1055-I1059 HydrophobicContact CD1-CD1 4.3Å; L1055-I1059 HydrophobicContact CG-CD1 4.13Å; L1055-I1059 WeakPolarHBondContact O-CG1 3.36Å; L1055-I1059 PolarHBondContact O-N 3.46Å; F1056-I1059 WeakPolarHBondContact O-CB 3.26Å; F1056-I1059 PolarHBondContact O-N 3.22Å; E1057-I1059 VanDerWaalsContact C-N 3.33Å; E1057-I1059 PolarHBondContact O-N 2.75Å; I1059-A1061 PolarHBondContact O-N 2.73Å; I1059-L1062 WeakPolarHBondContact O-CB 3.34Å; I1059-L1062 PolarHBondContact O-N 3.07Å; I1059-L1069 HydrophobicContact CG2-CD1 4.48Å; I1059-L1069 HydrophobicContact CG2-CD2 3.67Å; I1059-I1279 HydrophobicContact CG2-CD1 4.42Å
1060I89.5Confident88.8Confident38 Ų3831 Ų3120%0.19516%0.159CC..Hα-helixtrans-57.2-33.5174.7-68163.5000110.8F1056 E1057 L1062 L1069 F1085F1056-I1060 HydrophobicContact CD1-CD1 3.58Å; F1056-I1060 HydrophobicContact CD1-CG1 4.05Å; F1056-I1060 HydrophobicContact CE1-CD1 3.74Å; F1056-I1060 HydrophobicContact CE1-CG1 4.02Å; F1056-I1060 WeakPolarHBondContact O-CG1 3.07Å; F1056-I1060 PolarHBondContact O-N 3.1Å; E1057-I1060 PolarHBondContact O-N 3.46Å; I1060-L1062 VanDerWaalsContact C-N 3.31Å; I1060-L1062 PolarHBondContact O-N 3.27Å; I1060-L1069 HydrophobicContact CG1-CD1 4.18Å; I1060-F1085 HydrophobicContact CD1-CD2 3.87Å; I1060-F1085 HydrophobicContact CD1-CE2 3.34Å; I1060-F1085 HydrophobicContact CD1-CZ 3.75Å; I1060-F1085 HydrophobicContact CG1-CE1 4.28Å; I1060-F1085 HydrophobicContact CG1-CE2 3.84Å; I1060-F1085 HydrophobicContact CG1-CZ 3.67Å; I1060-F1085 HydrophobicContact CG2-CE2 4.45Å; I1060-F1085 HydrophobicContact CG2-CZ 4.12Å
1061A85.1Confident89.3Confident50 Ų5026.9 Ų26.941%0.41314%0.14SC..THydrogen-bonded Turntrans-75.7-11.6177.500000114.7E1057 K1058 I1059E1057-A1061 PolarHBondContact O-N 2.97Å; K1058-A1061 PolarHBondContact O-N 3.34Å; I1059-A1061 PolarHBondContact O-N 2.73Å
1062L82.9Confident89.5Confident18 Ų1826.8 Ų26.89%0.09414%0.138CC..SBendtrans-81.7170.9-179.9-67.3-179.9000113.5K988 V1027 H1031 I1059 I1060 V1064K988-L1062 WeakPolarHBondContact CD-O 3.47Å; K988-L1062 PolarHBondContact NZ-O 3.48Å; V1027-L1062 HydrophobicContact CG1-CD1 3.46Å; V1027-L1062 VanDerWaalsContact CG1-CD1 3.46Å; V1027-L1062 HydrophobicContact CG1-CD2 3.89Å; V1027-L1062 HydrophobicContact CG1-CG 3.85Å; H1031-L1062 HydrophobicContact CB-CD1 3.78Å; I1059-L1062 WeakPolarHBondContact O-CB 3.34Å; I1059-L1062 PolarHBondContact O-N 3.07Å; I1060-L1062 VanDerWaalsContact C-N 3.31Å; I1060-L1062 PolarHBondContact O-N 3.27Å; L1062-V1064 HydrophobicContact CB-CG2 4.12Å; L1062-V1064 PolarHBondContact O-N 3.38Å
1063D79.4Confident89Confident75 Ų7527.3 Ų27.340%0.40114%0.143SC..SBendtrans-75.454.4172.8-161.630.8000114.7K988 H1035K988-D1063 HydrophobicContact CD-CB 4Å; K988-D1063 IonicContact NZ-OD1 3.55Å; K988-D1063 PolarHBondContact NZ-OD1 2.62Å; H1035-D1063 PolarHBondContact CE1-O 2.72Å; H1035-D1063 PolarHBondContact NE2-O 3.21Å
1064V85.1Confident88.1Confident6 Ų633 Ų334%0.03617%0.17CC..  trans-108.7143.3175.4-177.10000109.5Y1034 L1062 L1069 I1279Y1034-V1064 HydrophobicContact CD1-CG1 4.46Å; Y1034-V1064 HydrophobicContact CD1-CG2 3.99Å; Y1034-V1064 HydrophobicContact CD2-CG1 4.35Å; Y1034-V1064 HydrophobicContact CE1-CB 4.28Å; Y1034-V1064 HydrophobicContact CE1-CG1 4.1Å; Y1034-V1064 HydrophobicContact CE1-CG2 4.18Å; Y1034-V1064 HydrophobicContact CE2-CG1 3.98Å; Y1034-V1064 HydrophobicContact CG-CG2 4.37Å; L1062-V1064 HydrophobicContact CB-CG2 4.12Å; L1062-V1064 PolarHBondContact O-N 3.38Å; V1064-L1069 HydrophobicContact CB-CD2 4.43Å; V1064-L1069 HydrophobicContact CG1-CD1 4.49Å; V1064-L1069 HydrophobicContact CG1-CD2 3.69Å; V1064-L1069 HydrophobicContact CG1-CG 3.98Å; V1064-I1279 HydrophobicContact CG1-CD1 3.98Å; V1064-I1279 HydrophobicContact CG2-CD1 4.3Å
1065D85.5Confident87Confident45 Ų4529.8 Ų29.824%0.24116%0.157CC..  trans-71.2129.8172-161.4-52.5000110.2Y1034 R1067 H1068Y1034-D1065 PolarHBondContact OH-N 3.21Å; D1065-R1067 HydrophobicContact CB-CG 4.35Å; D1065-R1067 VanDerWaalsContact CG-NH1 3.32Å; D1065-R1067 PolarHBondContact O-N 2.88Å; D1065-R1067 VanDerWaalsContact O-N 3.15Å; D1065-R1067 WeakPolarHBondContact OD1-CG 3.49Å; D1065-R1067 PolarHBondContact OD1-N 2.57Å; D1065-R1067 IonicContact OD1-NH1 3.9Å; D1065-R1067 IonicContact OD2-CZ 3Å; D1065-R1067 IonicContact OD2-NH1 3.94Å; D1065-R1067 PolarHBondContact OD2-NH1 3.26Å; D1065-H1068 WeakPolarHBondContact O-CB 3.33Å; D1065-H1068 PolarHBondContact O-N 2.96Å
1066E87.8Confident85.9Confident52 Ų5232.6 Ų32.624%0.24317%0.17CC..G310 helixtrans-61.4-23.5-178.1-63.6-178.1-155.600113.5H1068 L1069 K1083 Y1093E1066-H1068 VanDerWaalsContact C-N 3.25Å; E1066-H1068 PolarHBondContact O-N 2.81Å; E1066-L1069 PolarHBondContact O-N 2.95Å; E1066-K1083 IonicContact OE1-NZ 3.51Å; E1066-K1083 PolarHBondContact OE1-NZ 3.27Å; E1066-K1083 IonicContact OE2-NZ 3.16Å; E1066-K1083 PolarHBondContact OE2-NZ 3.49Å; E1066-Y1093 HydrophobicContact CB-CE1 4.24Å
1067R88.5Confident84.6Confident20 Ų2041 Ų418%0.07521%0.209CC..G310 helixtrans-69.7-24.6175.377.6-173.5-173.1-108.15.9113D1065 Y1093 I1094 Q1252 E1255 E1276D1065-R1067 HydrophobicContact CB-CG 4.35Å; D1065-R1067 VanDerWaalsContact CG-NH1 3.32Å; D1065-R1067 PolarHBondContact O-N 2.88Å; D1065-R1067 VanDerWaalsContact O-N 3.15Å; D1065-R1067 WeakPolarHBondContact OD1-CG 3.49Å; D1065-R1067 PolarHBondContact OD1-N 2.57Å; D1065-R1067 IonicContact OD1-NH1 3.9Å; D1065-R1067 IonicContact OD2-CZ 3Å; D1065-R1067 IonicContact OD2-NH1 3.94Å; D1065-R1067 PolarHBondContact OD2-NH1 3.26Å; R1067-Y1093 HydrophobicContact CB-CE1 4.14Å; R1067-I1094 HydrophobicContact CB-CG1 4.46Å; R1067-Q1252 VanDerWaalsContact NH1-CG 3.29Å; R1067-E1255 IonicContact CZ-OE2 3.41Å; R1067-E1255 VanDerWaalsContact CZ-OE2 3.32Å; R1067-E1255 IonicContact NE-OE2 3.64Å; R1067-E1255 PolarHBondContact NE-OE2 2.87Å; R1067-E1255 IonicContact NH2-OE1 2.76Å; R1067-E1255 IonicContact NH2-OE2 3.82Å; R1067-E1255 PolarHBondContact NH2-OE2 2.95Å; R1067-E1276 WeakPolarHBondContact CD-OE1 3.34Å; R1067-E1276 VanDerWaalsContact CG-OE1 3.26Å; R1067-E1276 WeakPolarHBondContact CG-OE1 3.4Å; R1067-E1276 IonicContact NE-OE1 3.57Å; R1067-E1276 PolarHBondContact NE-OE1 3.27Å
1068H93.7Very high83.5Confident18 Ų1840.7 Ų40.78%0.08322%0.222CC..G310 helixtrans-84.7-11.5179.6-64.4157000113.1Y1034 D1065 E1066 E1276 K1278 I1279Y1034-H1068 HydrophobicContact CE2-CB 4.26Å; Y1034-H1068 AromaticContact CE2-ND1 3.42Å; Y1034-H1068 WeakPolarHBondContact CE2-ND1 3.42Å; Y1034-H1068 AromaticContact CZ-ND1 3.56Å; Y1034-H1068 PolarHBondContact OH-ND1 3.32Å; D1065-H1068 WeakPolarHBondContact O-CB 3.33Å; D1065-H1068 PolarHBondContact O-N 2.96Å; E1066-H1068 VanDerWaalsContact C-N 3.25Å; E1066-H1068 PolarHBondContact O-N 2.81Å; H1068-E1276 PolarHBondContact CD2-O 3.26Å; H1068-E1276 IonicContact CD2-OE1 2.66Å; H1068-K1278 HydrophobicContact CB-CB 3.99Å; H1068-K1278 HydrophobicContact CB-CG 3.89Å; H1068-K1278 PolarHBondContact O-N 2.92Å; H1068-I1279 PolarHBondContact O-N 3.34Å
1069L94.5Very high82.9Confident2 Ų237.7 Ų37.71%0.0121%0.21CC..EExtended strand (participates in β ladder)trans-93.4126.6-178.5-62.5-177.8000111F1056 I1059 I1060 V1064 E1066 F1085 R1090 I1279F1056-L1069 HydrophobicContact CZ-CB 4.03Å; I1059-L1069 HydrophobicContact CG2-CD1 4.48Å; I1059-L1069 HydrophobicContact CG2-CD2 3.67Å; I1060-L1069 HydrophobicContact CG1-CD1 4.18Å; V1064-L1069 HydrophobicContact CB-CD2 4.43Å; V1064-L1069 HydrophobicContact CG1-CD1 4.49Å; V1064-L1069 HydrophobicContact CG1-CD2 3.69Å; V1064-L1069 HydrophobicContact CG1-CG 3.98Å; E1066-L1069 PolarHBondContact O-N 2.95Å; L1069-F1085 HydrophobicContact CB-CD1 4Å; L1069-F1085 HydrophobicContact CB-CE1 3.98Å; L1069-F1085 HydrophobicContact CD1-CE1 4.07Å; L1069-R1090 WeakPolarHBondContact O-CD 3.48Å; L1069-I1279 HydrophobicContact CD2-CB 3.89Å; L1069-I1279 HydrophobicContact CD2-CD1 3.94Å; L1069-I1279 HydrophobicContact CD2-CG1 4.48Å; L1069-I1279 HydrophobicContact CD2-CG2 4.18Å
1070L94.8Very high82.2Confident0 Ų044.7 Ų44.70%025%0.247CC..EExtended strand (participates in β ladder)trans-137.2130.5176.7-178.564.9000111.1L1072 R1087 R1090 L1272 L1273 A1277 I1279 I1280 A1281L1070-L1072 HydrophobicContact CD1-CD2 4.26Å; L1070-L1072 HydrophobicContact CD2-CD1 4.47Å; L1070-L1072 HydrophobicContact CD2-CD2 4.04Å; L1070-L1072 HydrophobicContact CD2-CG 4.29Å; L1070-L1072 HydrophobicContact CG-CD2 4.02Å; L1070-L1072 HydrophobicContact CG-CG 4.2Å; L1070-R1087 HydrophobicContact CD1-CG 4.17Å; L1070-R1090 HydrophobicContact CD1-CB 4.5Å; L1070-R1090 HydrophobicContact CD1-CG 4.01Å; L1070-L1272 HydrophobicContact CD1-CD2 3.86Å; L1070-L1272 HydrophobicContact CD2-CD2 3.81Å; L1070-L1272 HydrophobicContact CG-CD2 4.28Å; L1070-L1273 HydrophobicContact CD2-CB 4.25Å; L1070-L1273 HydrophobicContact CD2-CD1 3.56Å; L1070-A1277 HydrophobicContact CB-CB 3.83Å; L1070-A1277 HydrophobicContact CD2-CB 4.02Å; L1070-I1279 PolarHBondContact N-O 3.47Å; L1070-I1280 HydrophobicContact CB-CG1 4.46Å; L1070-I1280 HydrophobicContact CD2-CG1 4.44Å; L1070-I1280 HydrophobicContact CD2-CG2 4.43Å; L1070-I1280 CarbonylContact O-C 3.6Å; L1070-I1280 WeakPolarHBondContact O-CA 3.22Å; L1070-A1281 PolarHBondContact O-N 2.77Å
1071R94Very high81.7Confident0 Ų045.2 Ų45.20%025%0.252CS..EExtended strand (participates in β ladder)trans-114129.9175.3-172.3-89.8-176.3-116.1-16.5109.7N1049 F1056 G1073 G1075 E1076 L1079 F1085 A1281N1049-R1071 PolarHBondContact OD1-NH2 3.39Å; F1056-R1071 HydrophobicContact CD1-CB 4.41Å; F1056-R1071 HydrophobicContact CE1-CB 3.97Å; F1056-R1071 HydrophobicContact CE2-CB 4.16Å; F1056-R1071 HydrophobicContact CZ-CB 3.83Å; R1071-G1073 PolarHBondContact NH1-O 3.1Å; R1071-G1075 VanDerWaalsContact NH2-CA 3.26Å; R1071-E1076 VanDerWaalsContact CD-CB 3.45Å; R1071-L1079 HydrophobicContact CG-CD1 4.4Å; R1071-F1085 HydrophobicContact CB-CB 4.1Å; R1071-F1085 PolarHBondContact N-O 3.17Å; R1071-A1281 WeakPolarHBondContact CA-O 3.44Å
1072L90.7Very high81.4Confident6 Ų651.3 Ų51.33%0.03128%0.278CS..EExtended strand (participates in β ladder)trans-120134.1-174.2-64.3178.9000113.1L1070 R1087 L1273 I1280 A1281 M1282L1070-L1072 HydrophobicContact CD1-CD2 4.26Å; L1070-L1072 HydrophobicContact CD2-CD1 4.47Å; L1070-L1072 HydrophobicContact CD2-CD2 4.04Å; L1070-L1072 HydrophobicContact CD2-CG 4.29Å; L1070-L1072 HydrophobicContact CG-CD2 4.02Å; L1070-L1072 HydrophobicContact CG-CG 4.2Å; L1072-R1087 HydrophobicContact CD2-CG 3.46Å; L1072-R1087 VanDerWaalsContact CD2-CG 3.46Å; L1072-L1273 HydrophobicContact CD1-CD1 3.79Å; L1072-I1280 HydrophobicContact CD1-CG2 3.75Å; L1072-I1280 HydrophobicContact CG-CG2 4.27Å; L1072-A1281 PolarHBondContact N-O 3.09Å; L1072-M1282 HydrophobicContact CB-CB 4.13Å; L1072-M1282 HydrophobicContact CD1-CE 3.6Å
1073G83.3Confident81.5Confident12 Ų1254.7 Ų54.712%0.12429%0.292CS..SBendtrans112.7176.7176.300000114R1071 G1075 H1286R1071-G1073 PolarHBondContact NH1-O 3.1Å; G1073-G1075 PolarHBondContact O-N 2.65Å; G1073-G1075 VanDerWaalsContact O-N 3.12Å; G1073-H1286 WeakPolarHBondContact CA-ND1 3.34Å
1074H70.2Confident81.8Confident133 Ų13354.7 Ų54.762%0.61629%0.292SS*.THydrogen-bonded Turntrans-71.5-4.1-171.6-57.380.6000116.4E1076H1074-E1076 VanDerWaalsContact C-N 3.29Å
1075G64.9Low82.2Confident9 Ų954.5 Ų54.59%0.09329%0.291CS..THydrogen-bonded Turntrans-89.88.8179.800000114.1N1053 R1071 G1073 G1078N1053-G1075 PolarHBondContact ND2-O 3.15Å; R1071-G1075 VanDerWaalsContact NH2-CA 3.26Å; G1073-G1075 PolarHBondContact O-N 2.65Å; G1073-G1075 VanDerWaalsContact O-N 3.12Å; G1075-G1078 PolarHBondContact O-N 3.16Å
1076E68.6Low82.3Confident60 Ų6052.7 Ų52.728%0.2828%0.281SS..G310 helixtrans-68.6-34.9-177.464.1-162.5172.300113R1071 H1074 G1078 L1079 S1086R1071-E1076 VanDerWaalsContact CD-CB 3.45Å; H1074-E1076 VanDerWaalsContact C-N 3.29Å; E1076-G1078 PolarHBondContact O-N 3.06Å; E1076-G1078 VanDerWaalsContact O-N 3.15Å; E1076-L1079 PolarHBondContact O-N 3.25Å; E1076-S1086 VanDerWaalsContact OE2-CA 3.31Å; E1076-S1086 WeakPolarHBondContact OE2-CA 3.46Å; E1076-S1086 WeakPolarHBondContact OE2-CB 3.37Å
1077E65.7Low82.3Confident176 Ų17653.7 Ų53.782%0.82228%0.283SS*.G310 helixtrans-62.6-18.3173.8-62.7174.8-177.900113.3
1078G69.2Low82.2Confident54 Ų5458 Ų5856%0.55730%0.3SS*.G310 helixtrans-98.717.3-177.900000114.7N1053 G1075 E1076N1053-G1078 VanDerWaalsContact ND2-C 3.26Å; N1053-G1078 PolarHBondContact ND2-O 3.06Å; G1075-G1078 PolarHBondContact O-N 3.16Å; E1076-G1078 PolarHBondContact O-N 3.06Å; E1076-G1078 VanDerWaalsContact O-N 3.15Å
1079L76.6Confident81.9Confident16 Ų1657.5 Ų57.58%0.08430%0.3CS..SBendtrans-79.2136.3171.3-70.6166.5000109.4N1053 F1056 E1057 R1071 E1076 T1081 F1085N1053-L1079 HydrophobicContact CB-CD2 3.75Å; F1056-L1079 HydrophobicContact CB-CD2 4.41Å; F1056-L1079 HydrophobicContact CD1-CD1 4.25Å; F1056-L1079 HydrophobicContact CD1-CD2 4.02Å; F1056-L1079 HydrophobicContact CE1-CD1 4.43Å; E1057-L1079 HydrophobicContact CG-CD2 4.34Å; R1071-L1079 HydrophobicContact CG-CD1 4.4Å; E1076-L1079 PolarHBondContact O-N 3.25Å; L1079-T1081 HydrophobicContact CB-CG2 3.74Å; L1079-T1081 PolarHBondContact O-N 3.29Å; L1079-F1085 HydrophobicContact CD1-CB 4.38Å; L1079-F1085 HydrophobicContact CD1-CD2 4.35Å
1080D76.3Confident81.7Confident148 Ų14857.9 Ų57.979%0.79130%0.301SS*.SBendtrans-78.363.7176.6-165.220.5000111.1E1057E1057-D1080 PolarHBondContact OE1-N 3.36Å
1081T78.7Confident81.4Confident49 Ų4958.1 Ų58.130%0.30130%0.303SS..SBendtrans-159144.4-178.1-176.90000111.1L1079 K1083 F1085L1079-T1081 HydrophobicContact CB-CG2 3.74Å; L1079-T1081 PolarHBondContact O-N 3.29Å; T1081-K1083 PolarHBondContact O-N 3.49Å; T1081-K1083 PolarHBondContact OG1-N 2.92Å; T1081-F1085 HydrophobicContact CG2-CD2 4.3Å; T1081-F1085 HydrophobicContact CG2-CE2 4.16Å
1082D79.9Confident81.2Confident179 Ų17963 Ų6396%0.95733%0.329SS*.SBendtrans-73.8-6.6175.1-57.6-40.7000112.8
1083K84.6Confident81.2Confident88 Ų8865.5 Ų65.538%0.38334%0.338SS..SBendtrans-93.2130.3-174.6-62.8-179.7-179.3-178.40112E1066 T1081 F1085E1066-K1083 IonicContact OE1-NZ 3.51Å; E1066-K1083 PolarHBondContact OE1-NZ 3.27Å; E1066-K1083 IonicContact OE2-NZ 3.16Å; E1066-K1083 PolarHBondContact OE2-NZ 3.49Å; T1081-K1083 PolarHBondContact O-N 3.49Å; T1081-K1083 PolarHBondContact OG1-N 2.92Å; K1083-F1085 HydrophobicContact CB-CD2 4.22Å; K1083-F1085 HydrophobicContact CB-CE2 3.66Å; K1083-F1085 HydrophobicContact CB-CZ 4.24Å; K1083-F1085 HydrophobicContact CD-CE2 4.35Å; K1083-F1085 HydrophobicContact CD-CZ 4.24Å; K1083-F1085 WeakPolarHBondContact O-CD2 3.24Å; K1083-F1085 PolarHBondContact O-N 2.92Å
1084D86.1Confident81.5Confident76 Ų7665 Ų6541%0.40633%0.333SS..  trans-86.1104.2177.1-175.68.4000113S1086 G1089 R1090D1084-S1086 VanDerWaalsContact C-N 3.32Å; D1084-S1086 WeakPolarHBondContact OD1-CB 3.38Å; D1084-S1086 PolarHBondContact OD1-N 2.9Å; D1084-S1086 PolarHBondContact OD1-OG 2.71Å; D1084-S1086 PolarHBondContact OD2-OG 3.36Å; D1084-G1089 CarbonylContact O-C 3.56Å; D1084-G1089 WeakPolarHBondContact OD2-CA 3.39Å; D1084-G1089 PolarHBondContact OD2-N 2.8Å; D1084-R1090 PolarHBondContact O-NE 2.84Å; D1084-R1090 PolarHBondContact O-NH2 3.27Å
1085F92.1Very high82.5Confident1 Ų160.3 Ų60.30%0.00431%0.312CS..  trans-88.411.3175.8-69.1-86.1000114.5F1056 I1060 L1069 R1071 L1079 T1081 K1083F1056-F1085 HydrophobicContact CE1-CB 3.73Å; F1056-F1085 AromaticContact CE1-CD1 3.87Å; F1056-F1085 HydrophobicContact CE1-CD1 3.87Å; F1056-F1085 AromaticContact CE1-CD2 3.94Å; F1056-F1085 HydrophobicContact CE1-CD2 3.94Å; F1056-F1085 HydrophobicContact CE1-CE1 4.47Å; F1056-F1085 AromaticContact CE1-CG 3.58Å; F1056-F1085 HydrophobicContact CE1-CG 3.58Å; F1056-F1085 HydrophobicContact CZ-CB 4.07Å; F1056-F1085 HydrophobicContact CZ-CD1 4.01Å; F1056-F1085 HydrophobicContact CZ-CG 4.08Å; I1060-F1085 HydrophobicContact CD1-CD2 3.87Å; I1060-F1085 HydrophobicContact CD1-CE2 3.34Å; I1060-F1085 HydrophobicContact CD1-CZ 3.75Å; I1060-F1085 HydrophobicContact CG1-CE1 4.28Å; I1060-F1085 HydrophobicContact CG1-CE2 3.84Å; I1060-F1085 HydrophobicContact CG1-CZ 3.67Å; I1060-F1085 HydrophobicContact CG2-CE2 4.45Å; I1060-F1085 HydrophobicContact CG2-CZ 4.12Å; L1069-F1085 HydrophobicContact CB-CD1 4Å; L1069-F1085 HydrophobicContact CB-CE1 3.98Å; L1069-F1085 HydrophobicContact CD1-CE1 4.07Å; R1071-F1085 HydrophobicContact CB-CB 4.1Å; R1071-F1085 PolarHBondContact N-O 3.17Å; L1079-F1085 HydrophobicContact CD1-CB 4.38Å; L1079-F1085 HydrophobicContact CD1-CD2 4.35Å; T1081-F1085 HydrophobicContact CG2-CD2 4.3Å; T1081-F1085 HydrophobicContact CG2-CE2 4.16Å; K1083-F1085 HydrophobicContact CB-CD2 4.22Å; K1083-F1085 HydrophobicContact CB-CE2 3.66Å; K1083-F1085 HydrophobicContact CB-CZ 4.24Å; K1083-F1085 HydrophobicContact CD-CE2 4.35Å; K1083-F1085 HydrophobicContact CD-CZ 4.24Å; K1083-F1085 WeakPolarHBondContact O-CD2 3.24Å; K1083-F1085 PolarHBondContact O-N 2.92Å
1086S88.9Confident83.7Confident7 Ų762.7 Ų62.75%0.04933%0.331CS..SBendtrans-65.7168.117179.60000112E1076 D1084 Y1088 G1089 R1090E1076-S1086 VanDerWaalsContact OE2-CA 3.31Å; E1076-S1086 WeakPolarHBondContact OE2-CA 3.46Å; E1076-S1086 WeakPolarHBondContact OE2-CB 3.37Å; D1084-S1086 VanDerWaalsContact C-N 3.32Å; D1084-S1086 WeakPolarHBondContact OD1-CB 3.38Å; D1084-S1086 PolarHBondContact OD1-N 2.9Å; D1084-S1086 PolarHBondContact OD1-OG 2.71Å; D1084-S1086 PolarHBondContact OD2-OG 3.36Å; S1086-Y1088 VanDerWaalsContact C-N 3.32Å; S1086-Y1088 PolarHBondContact O-N 3.01Å; S1086-Y1088 PolarHBondContact OG-N 3.2Å; S1086-G1089 PolarHBondContact O-N 3.41Å; S1086-G1089 PolarHBondContact OG-N 3.29Å; S1086-R1090 WeakPolarHBondContact O-CB 3.35Å; S1086-R1090 WeakPolarHBondContact O-CG 3.5Å; S1086-R1090 PolarHBondContact O-N 3.26Å
1087R87.2Confident84.7Confident74 Ų7461.9 Ų61.928%0.27933%0.326SS..Hα-helixtrans-56-45.7175.9-69.8-170.2-64.1168.90.7112.4L1070 L1072 V1091 A1269L1070-R1087 HydrophobicContact CD1-CG 4.17Å; L1072-R1087 HydrophobicContact CD2-CG 3.46Å; L1072-R1087 VanDerWaalsContact CD2-CG 3.46Å; R1087-V1091 VanDerWaalsContact O-CG2 3.3Å; R1087-V1091 WeakPolarHBondContact O-CG2 3.28Å; R1087-V1091 PolarHBondContact O-N 3.48Å; R1087-V1091 VanDerWaalsContact O-N 3.14Å; R1087-A1269 HydrophobicContact CB-CB 4.03Å
1088Y86.6Confident86Confident110 Ų11055.1 Ų55.143%0.43129%0.293SS..Hα-helixtrans-75.2-43.8-177.5-65.8-71.3000111S1086 R1090 V1091 D1092S1086-Y1088 VanDerWaalsContact C-N 3.32Å; S1086-Y1088 PolarHBondContact O-N 3.01Å; S1086-Y1088 PolarHBondContact OG-N 3.2Å; Y1088-R1090 PolarHBondContact O-N 3.26Å; Y1088-V1091 WeakPolarHBondContact O-CB 3.32Å; Y1088-V1091 PolarHBondContact O-N 3.48Å; Y1088-D1092 PolarHBondContact O-N 3.3Å
1089G87.2Confident87Confident8 Ų856.9 Ų56.98%0.08229%0.289CS..Hα-helixtrans-58.2-34.8174.400000113.7D1084 S1086 Y1093D1084-G1089 CarbonylContact O-C 3.56Å; D1084-G1089 WeakPolarHBondContact OD2-CA 3.39Å; D1084-G1089 PolarHBondContact OD2-N 2.8Å; S1086-G1089 PolarHBondContact O-N 3.41Å; S1086-G1089 PolarHBondContact OG-N 3.29Å; G1089-Y1093 WeakPolarHBondContact O-CB 3.38Å; G1089-Y1093 PolarHBondContact O-N 3.11Å
1090R90.1Very high87.6Confident10 Ų1058.2 Ų58.24%0.03830%0.295CS..Hα-helixtrans-73.5-35.9173.5-66-57.481.2-172.7-1.7113.3L1069 L1070 D1084 S1086 Y1088 Y1093 I1094 L1272L1069-R1090 WeakPolarHBondContact O-CD 3.48Å; L1070-R1090 HydrophobicContact CD1-CB 4.5Å; L1070-R1090 HydrophobicContact CD1-CG 4.01Å; D1084-R1090 PolarHBondContact O-NE 2.84Å; D1084-R1090 PolarHBondContact O-NH2 3.27Å; S1086-R1090 WeakPolarHBondContact O-CB 3.35Å; S1086-R1090 WeakPolarHBondContact O-CG 3.5Å; S1086-R1090 PolarHBondContact O-N 3.26Å; Y1088-R1090 PolarHBondContact O-N 3.26Å; R1090-Y1093 PolarHBondContact O-N 3.29Å; R1090-I1094 WeakPolarHBondContact O-CG1 3.4Å; R1090-I1094 PolarHBondContact O-N 2.97Å; R1090-L1272 HydrophobicContact CB-CD1 3.5Å; R1090-L1272 VanDerWaalsContact CB-CD1 3.5Å; R1090-L1272 HydrophobicContact CB-CD2 4.29Å
1091V89.5Confident88.4Confident5 Ų551.5 Ų51.53%0.0326%0.259CS..Hα-helixtrans-62.9-45.7172.2169.30000110.4R1087 Y1088 Y1093 I1094 L1095 F1259 R1268 A1269 L1272R1087-V1091 VanDerWaalsContact O-CG2 3.3Å; R1087-V1091 WeakPolarHBondContact O-CG2 3.28Å; R1087-V1091 PolarHBondContact O-N 3.48Å; R1087-V1091 VanDerWaalsContact O-N 3.14Å; Y1088-V1091 WeakPolarHBondContact O-CB 3.32Å; Y1088-V1091 PolarHBondContact O-N 3.48Å; V1091-Y1093 VanDerWaalsContact C-N 3.35Å; V1091-Y1093 PolarHBondContact O-N 3.27Å; V1091-I1094 PolarHBondContact O-N 3.17Å; V1091-L1095 HydrophobicContact CG1-CD1 3.87Å; V1091-L1095 HydrophobicContact CG1-CG 4.35Å; V1091-L1095 WeakPolarHBondContact O-CG 3.46Å; V1091-L1095 PolarHBondContact O-N 3.45Å; V1091-F1259 HydrophobicContact CG2-CE1 4.39Å; V1091-R1268 HydrophobicContact CG1-CB 3.79Å; V1091-R1268 HydrophobicContact CG1-CG 4.49Å; V1091-R1268 HydrophobicContact CG2-CB 3.91Å; V1091-A1269 HydrophobicContact CG2-CB 4.28Å; V1091-L1272 HydrophobicContact CG2-CD1 3.97Å
1092D88.7Confident89Confident103 Ų10349.7 Ų49.755%0.55125%0.248SC*.Hα-helixtrans-63.8-41.5179.2-67.3-23.4000111.4Y1088 I1094 L1095 A1096Y1088-D1092 PolarHBondContact O-N 3.3Å; D1092-I1094 PolarHBondContact O-N 2.92Å; D1092-L1095 PolarHBondContact O-N 3.4Å; D1092-A1096 WeakPolarHBondContact O-CB 3.38Å; D1092-A1096 PolarHBondContact O-N 3.16Å
1093Y90.6Very high89.4Confident58 Ų5846.8 Ų46.823%0.22723%0.228CC..Hα-helixtrans-57.7-47.5171.8171.2-101.7000112.3E1066 R1067 G1089 R1090 V1091 A1096 K1097E1066-Y1093 HydrophobicContact CB-CE1 4.24Å; R1067-Y1093 HydrophobicContact CB-CE1 4.14Å; G1089-Y1093 WeakPolarHBondContact O-CB 3.38Å; G1089-Y1093 PolarHBondContact O-N 3.11Å; R1090-Y1093 PolarHBondContact O-N 3.29Å; V1091-Y1093 VanDerWaalsContact C-N 3.35Å; V1091-Y1093 PolarHBondContact O-N 3.27Å; Y1093-A1096 PolarHBondContact O-N 3.1Å; Y1093-K1097 VanDerWaalsContact O-CB 3.28Å; Y1093-K1097 WeakPolarHBondContact O-CB 3.17Å; Y1093-K1097 PolarHBondContact O-N 3.3Å
1094I90.6Very high89.6Confident0 Ų043.1 Ų43.10%021%0.212CC..Hα-helixtrans-63.4-43.8179.3-73.4173.6000111.2R1067 R1090 V1091 D1092 K1097 R1098 F1256 F1259 L1272 E1276R1067-I1094 HydrophobicContact CB-CG1 4.46Å; R1090-I1094 WeakPolarHBondContact O-CG1 3.4Å; R1090-I1094 PolarHBondContact O-N 2.97Å; V1091-I1094 PolarHBondContact O-N 3.17Å; D1092-I1094 PolarHBondContact O-N 2.92Å; I1094-K1097 PolarHBondContact O-N 2.87Å; I1094-R1098 WeakPolarHBondContact O-CB 3.18Å; I1094-R1098 PolarHBondContact O-N 3.29Å; I1094-F1256 HydrophobicContact CB-CE1 4.34Å; I1094-F1256 HydrophobicContact CD1-CE1 4.36Å; I1094-F1256 HydrophobicContact CG1-CE1 4.01Å; I1094-F1256 HydrophobicContact CG1-CZ 4.33Å; I1094-F1256 HydrophobicContact CG2-CD1 3.5Å; I1094-F1256 HydrophobicContact CG2-CD2 4.34Å; I1094-F1256 HydrophobicContact CG2-CE1 3.63Å; I1094-F1256 HydrophobicContact CG2-CE2 4.44Å; I1094-F1256 HydrophobicContact CG2-CG 3.89Å; I1094-F1256 HydrophobicContact CG2-CZ 4.11Å; I1094-F1259 HydrophobicContact CD1-CE1 3.89Å; I1094-F1259 HydrophobicContact CD1-CE2 4.05Å; I1094-F1259 HydrophobicContact CD1-CZ 3.52Å; I1094-F1259 HydrophobicContact CG2-CB 4.38Å; I1094-F1259 HydrophobicContact CG2-CD1 4Å; I1094-F1259 HydrophobicContact CG2-CD2 3.95Å; I1094-F1259 HydrophobicContact CG2-CE1 4.22Å; I1094-F1259 HydrophobicContact CG2-CE2 4.15Å; I1094-F1259 HydrophobicContact CG2-CG 3.85Å; I1094-F1259 HydrophobicContact CG2-CZ 4.28Å; I1094-L1272 HydrophobicContact CD1-CD1 3.55Å; I1094-L1272 HydrophobicContact CD1-CG 4.21Å; I1094-E1276 HydrophobicContact CD1-CG 3.96Å
1095L90.6Very high89.8Confident35 Ų3539.5 Ų39.518%0.18319%0.193CC..Hα-helixtrans-64.9-42.5179.3-68.3172.6000111.7V1091 D1092 R1098 I1099 F1259V1091-L1095 HydrophobicContact CG1-CD1 3.87Å; V1091-L1095 HydrophobicContact CG1-CG 4.35Å; V1091-L1095 WeakPolarHBondContact O-CG 3.46Å; V1091-L1095 PolarHBondContact O-N 3.45Å; D1092-L1095 PolarHBondContact O-N 3.4Å; L1095-R1098 PolarHBondContact O-N 3.34Å; L1095-I1099 WeakPolarHBondContact O-CG1 3.33Å; L1095-I1099 PolarHBondContact O-N 3.3Å; L1095-I1099 VanDerWaalsContact O-N 3.14Å; L1095-F1259 HydrophobicContact CD2-CB 4.27Å
1096A90.3Very high89.6Confident60 Ų6041.4 Ų41.450%0.49621%0.205SC..Hα-helixtrans-63.3-44.2173.900000111.5D1092 Y1093 R1098 I1099 H1100D1092-A1096 WeakPolarHBondContact O-CB 3.38Å; D1092-A1096 PolarHBondContact O-N 3.16Å; Y1093-A1096 PolarHBondContact O-N 3.1Å; A1096-R1098 PolarHBondContact O-N 2.95Å; A1096-I1099 PolarHBondContact O-N 3.47Å; A1096-H1100 PolarHBondContact O-N 2.73Å; A1096-H1100 VanDerWaalsContact O-N 3.1Å
1097K89.9Confident89.5Confident42 Ų4243.9 Ų43.918%0.18321%0.213CC..Hα-helixtrans-65-38.9177.7-168.567.2177.2-176.70111.9N980 Y1093 I1094 H1100 L1101 F1256N980-K1097 PolarHBondContact O-NZ 3.27Å; N980-K1097 VanDerWaalsContact O-NZ 3.12Å; Y1093-K1097 VanDerWaalsContact O-CB 3.28Å; Y1093-K1097 WeakPolarHBondContact O-CB 3.17Å; Y1093-K1097 PolarHBondContact O-N 3.3Å; I1094-K1097 PolarHBondContact O-N 2.87Å; K1097-H1100 WeakPolarHBondContact O-CB 3.36Å; K1097-H1100 PolarHBondContact O-N 3.29Å; K1097-L1101 HydrophobicContact CG-CD1 4.34Å; K1097-L1101 HydrophobicContact CG-CG 4.45Å; K1097-L1101 WeakPolarHBondContact O-CG 3.49Å; K1097-L1101 PolarHBondContact O-N 3.16Å; K1097-F1256 HydrophobicContact CB-CE2 4.17Å; K1097-F1256 HydrophobicContact CG-CE2 4.05Å
1098R92.1Very high89.6Confident34 Ų3440.4 Ų40.413%0.12820%0.2CC..Hα-helixtrans-57.1-50.9173.7174.5-176.2166.9-85.6-5.6111.2I1094 L1095 A1096 H1100 L1101 L1102 C1143 L1253 F1256 E1260I1094-R1098 WeakPolarHBondContact O-CB 3.18Å; I1094-R1098 PolarHBondContact O-N 3.29Å; L1095-R1098 PolarHBondContact O-N 3.34Å; A1096-R1098 PolarHBondContact O-N 2.95Å; R1098-H1100 VanDerWaalsContact C-N 3.27Å; R1098-H1100 PolarHBondContact O-N 3.11Å; R1098-L1101 PolarHBondContact O-N 3.32Å; R1098-L1102 HydrophobicContact CG-CD1 4.07Å; R1098-L1102 WeakPolarHBondContact O-CG 3.48Å; R1098-L1102 PolarHBondContact O-N 3.19Å; R1098-C1143 PolarHBondContact NE-SG 2.88Å; R1098-C1143 VanDerWaalsContact NE-SG 3.41Å; R1098-L1253 HydrophobicContact CG-CD2 4.29Å; R1098-F1256 HydrophobicContact CB-CB 4.37Å; R1098-F1256 HydrophobicContact CB-CD2 3.9Å; R1098-F1256 HydrophobicContact CB-CG 4.49Å; R1098-F1256 HydrophobicContact CG-CB 4.41Å; R1098-E1260 IonicContact CZ-OE2 2.64Å; R1098-E1260 IonicContact NE-OE2 3.42Å; R1098-E1260 PolarHBondContact NE-OE2 3.29Å; R1098-E1260 IonicContact NH2-OE1 3.37Å; R1098-E1260 PolarHBondContact NH2-OE1 3Å; R1098-E1260 IonicContact NH2-OE2 3.12Å; R1098-E1260 PolarHBondContact NH2-OE2 3.07Å
1099I91Very high89.6Confident91 Ų9135.8 Ų35.847%0.46718%0.184SC..Hα-helixtrans-57.8-44.9178.7-67.2166.2000110.1L1095 A1096 L1102 Q1103L1095-I1099 WeakPolarHBondContact O-CG1 3.33Å; L1095-I1099 PolarHBondContact O-N 3.3Å; L1095-I1099 VanDerWaalsContact O-N 3.14Å; A1096-I1099 PolarHBondContact O-N 3.47Å; I1099-L1102 PolarHBondContact O-N 3.48Å; I1099-Q1103 WeakPolarHBondContact O-CG 3.45Å; I1099-Q1103 PolarHBondContact O-N 3.49Å; I1099-Q1103 VanDerWaalsContact O-N 3.08Å
1100H89.3Confident89.5Confident45 Ų4541.7 Ų41.721%0.20821%0.208CC..Hα-helixtrans-61.2-44.3176.4176.7-77000112.8A1096 K1097 R1098 Q1103 E1104A1096-H1100 PolarHBondContact O-N 2.73Å; A1096-H1100 VanDerWaalsContact O-N 3.1Å; K1097-H1100 WeakPolarHBondContact O-CB 3.36Å; K1097-H1100 PolarHBondContact O-N 3.29Å; R1098-H1100 VanDerWaalsContact C-N 3.27Å; R1098-H1100 PolarHBondContact O-N 3.11Å; H1100-Q1103 WeakPolarHBondContact O-CB 3.38Å; H1100-Q1103 PolarHBondContact O-N 2.89Å; H1100-E1104 PolarHBondContact O-N 3.2Å; H1100-E1104 VanDerWaalsContact O-N 3.09Å
1101L91.3Very high89.3Confident6 Ų642.3 Ų42.33%0.03121%0.213CC..Hα-helixtrans-66-36.9178.2-69173.9000112.2K1097 R1098 Q1103 E1104 V1105 I1249 Q1252 L1253 F1256K1097-L1101 HydrophobicContact CG-CD1 4.34Å; K1097-L1101 HydrophobicContact CG-CG 4.45Å; K1097-L1101 WeakPolarHBondContact O-CG 3.49Å; K1097-L1101 PolarHBondContact O-N 3.16Å; R1098-L1101 PolarHBondContact O-N 3.32Å; L1101-Q1103 VanDerWaalsContact C-N 3.3Å; L1101-Q1103 PolarHBondContact O-N 3.11Å; L1101-E1104 WeakPolarHBondContact O-CB 3.39Å; L1101-E1104 PolarHBondContact O-N 3.36Å; L1101-E1104 VanDerWaalsContact O-N 3.15Å; L1101-V1105 WeakPolarHBondContact O-CG2 3.44Å; L1101-V1105 PolarHBondContact O-N 3.34Å; L1101-I1249 HydrophobicContact CB-CG2 4.31Å; L1101-I1249 HydrophobicContact CD2-CB 4.4Å; L1101-I1249 HydrophobicContact CD2-CG1 4.21Å; L1101-I1249 HydrophobicContact CD2-CG2 4.04Å; L1101-Q1252 HydrophobicContact CD1-CB 3.57Å; L1101-L1253 HydrophobicContact CB-CD1 4.15Å; L1101-L1253 HydrophobicContact CB-CD2 3.64Å; L1101-L1253 HydrophobicContact CB-CG 3.82Å; L1101-L1253 HydrophobicContact CD1-CD2 4.33Å; L1101-L1253 HydrophobicContact CD1-CG 4.26Å; L1101-F1256 HydrophobicContact CD1-CD2 4.12Å; L1101-F1256 HydrophobicContact CD1-CE2 3.81Å
1102L91.8Very high89.1Confident12 Ų1242.7 Ų42.76%0.06322%0.215CC..Hα-helixtrans-65.6-33.7174.4-70.6169.3000112.3R1098 I1099 E1104 V1105 T1106 Q1141 T1142 A1146 L1253R1098-L1102 HydrophobicContact CG-CD1 4.07Å; R1098-L1102 WeakPolarHBondContact O-CG 3.48Å; R1098-L1102 PolarHBondContact O-N 3.19Å; I1099-L1102 PolarHBondContact O-N 3.48Å; L1102-E1104 VanDerWaalsContact C-N 3.35Å; L1102-V1105 PolarHBondContact O-N 2.85Å; L1102-T1106 WeakPolarHBondContact O-CB 3.38Å; L1102-T1106 PolarHBondContact O-N 2.91Å; L1102-T1106 PolarHBondContact O-OG1 3.49Å; L1102-Q1141 WeakPolarHBondContact CD1-O 3.42Å; L1102-T1142 WeakPolarHBondContact CD2-O 3.38Å; L1102-A1146 HydrophobicContact CD2-CB 4.08Å; L1102-L1253 HydrophobicContact CD2-CD1 4.11Å; L1102-L1253 HydrophobicContact CD2-CD2 3.86Å; L1102-L1253 HydrophobicContact CG-CD2 3.79Å
1103Q89.4Confident88.6Confident117 Ų11740 Ų4055%0.54720%0.2SC..Hα-helixtrans-64.5-40.2171-69.8169.5-11.500111.3I1099 H1100 L1101 T1106 R1107I1099-Q1103 WeakPolarHBondContact O-CG 3.45Å; I1099-Q1103 PolarHBondContact O-N 3.49Å; I1099-Q1103 VanDerWaalsContact O-N 3.08Å; H1100-Q1103 WeakPolarHBondContact O-CB 3.38Å; H1100-Q1103 PolarHBondContact O-N 2.89Å; L1101-Q1103 VanDerWaalsContact C-N 3.3Å; L1101-Q1103 PolarHBondContact O-N 3.11Å; Q1103-T1106 WeakPolarHBondContact O-CB 3.29Å; Q1103-T1106 PolarHBondContact O-N 3.16Å; Q1103-R1107 WeakPolarHBondContact O-CB 3.48Å; Q1103-R1107 PolarHBondContact O-N 3.14Å
1104E88.1Confident87.3Confident11 Ų1140.3 Ų40.35%0.05121%0.209CC..Hα-helixtrans-64-38.7173.2-75.1-67.8104.800112.5H1100 L1101 L1102 R1107 L1108 F1211 I1249H1100-E1104 PolarHBondContact O-N 3.2Å; H1100-E1104 VanDerWaalsContact O-N 3.09Å; L1101-E1104 WeakPolarHBondContact O-CB 3.39Å; L1101-E1104 PolarHBondContact O-N 3.36Å; L1101-E1104 VanDerWaalsContact O-N 3.15Å; L1102-E1104 VanDerWaalsContact C-N 3.35Å; E1104-R1107 WeakPolarHBondContact O-CB 3.38Å; E1104-R1107 PolarHBondContact O-N 3.49Å; E1104-R1107 IonicContact OE1-CZ 3.01Å; E1104-R1107 IonicContact OE1-NE 3.82Å; E1104-R1107 PolarHBondContact OE1-NE 3.44Å; E1104-R1107 IonicContact OE1-NH2 3.76Å; E1104-R1107 IonicContact OE2-CZ 2.73Å; E1104-R1107 IonicContact OE2-NE 2.79Å; E1104-R1107 PolarHBondContact OE2-NE 2.83Å; E1104-R1107 IonicContact OE2-NH2 3.24Å; E1104-R1107 PolarHBondContact OE2-NH2 2.93Å; E1104-L1108 PolarHBondContact O-N 2.94Å; E1104-F1211 WeakPolarHBondContact OE2-CZ 3.47Å; E1104-I1249 HydrophobicContact CB-CD1 4.3Å
1105V90.7Very high85.5Confident1 Ų146.1 Ų46.11%0.00625%0.25CS..Hα-helixtrans-64.9-43.2173.4173.40000111.3L1101 L1102 R1107 L1108 A1109 L1140 A1146 F1149 I1249 F1250 L1253L1101-V1105 WeakPolarHBondContact O-CG2 3.44Å; L1101-V1105 PolarHBondContact O-N 3.34Å; L1102-V1105 PolarHBondContact O-N 2.85Å; V1105-R1107 PolarHBondContact O-N 2.92Å; V1105-L1108 PolarHBondContact O-N 3.18Å; V1105-A1109 WeakPolarHBondContact O-CB 3.43Å; V1105-A1109 PolarHBondContact O-N 2.78Å; V1105-L1140 HydrophobicContact CG1-CD2 4.23Å; V1105-A1146 HydrophobicContact CG1-CB 3.98Å; V1105-A1146 HydrophobicContact CG2-CB 4.22Å; V1105-F1149 HydrophobicContact CG1-CD1 3.73Å; V1105-F1149 HydrophobicContact CG1-CE1 4.1Å; V1105-I1249 HydrophobicContact CG2-CG2 3.9Å; V1105-F1250 HydrophobicContact CB-CE1 4.34Å; V1105-F1250 HydrophobicContact CG1-CE1 3.89Å; V1105-F1250 HydrophobicContact CG1-CZ 4.25Å; V1105-F1250 HydrophobicContact CG2-CD1 4.13Å; V1105-F1250 HydrophobicContact CG2-CE1 3.48Å; V1105-F1250 VanDerWaalsContact CG2-CE1 3.48Å; V1105-F1250 HydrophobicContact CG2-CZ 3.84Å; V1105-L1253 HydrophobicContact CG2-CD1 3.43Å; V1105-L1253 VanDerWaalsContact CG2-CD1 3.43Å
1106T88Confident83.5Confident41 Ų4148.2 Ų48.225%0.25227%0.267SS..Hα-helixtrans-60.5-38.3175-58.10000111L1102 Q1103 K1110L1102-T1106 WeakPolarHBondContact O-CB 3.38Å; L1102-T1106 PolarHBondContact O-N 2.91Å; L1102-T1106 PolarHBondContact O-OG1 3.49Å; Q1103-T1106 WeakPolarHBondContact O-CB 3.29Å; Q1103-T1106 PolarHBondContact O-N 3.16Å; T1106-K1110 WeakPolarHBondContact O-CG 3.41Å; T1106-K1110 PolarHBondContact O-N 3.49Å; T1106-K1110 VanDerWaalsContact O-N 3.11Å
1107R86.4Confident81Confident58 Ų5848.5 Ų48.522%0.21927%0.27CS..Hα-helixtrans-63.7-48.8174.2-172.7170.774.991.9-0.1111.1Q1103 E1104 V1105 A1109 K1110 T1111 F1211Q1103-R1107 WeakPolarHBondContact O-CB 3.48Å; Q1103-R1107 PolarHBondContact O-N 3.14Å; E1104-R1107 WeakPolarHBondContact O-CB 3.38Å; E1104-R1107 PolarHBondContact O-N 3.49Å; E1104-R1107 IonicContact OE1-CZ 3.01Å; E1104-R1107 IonicContact OE1-NE 3.82Å; E1104-R1107 PolarHBondContact OE1-NE 3.44Å; E1104-R1107 IonicContact OE1-NH2 3.76Å; E1104-R1107 IonicContact OE2-CZ 2.73Å; E1104-R1107 IonicContact OE2-NE 2.79Å; E1104-R1107 PolarHBondContact OE2-NE 2.83Å; E1104-R1107 IonicContact OE2-NH2 3.24Å; E1104-R1107 PolarHBondContact OE2-NH2 2.93Å; V1105-R1107 PolarHBondContact O-N 2.92Å; R1107-A1109 VanDerWaalsContact C-N 3.34Å; R1107-A1109 PolarHBondContact O-N 3.27Å; R1107-K1110 PolarHBondContact O-N 3.49Å; R1107-T1111 WeakPolarHBondContact O-CG2 3.28Å; R1107-T1111 PolarHBondContact O-N 3.38Å; R1107-F1211 HydrophobicContact CB-CE2 4.48Å; R1107-F1211 HydrophobicContact CG-CD2 4.46Å; R1107-F1211 HydrophobicContact CG-CE2 4.42Å; R1107-F1211 VanDerWaalsContact CZ-CE2 3.43Å; R1107-F1211 PolarHBondContact NH1-O 3.4Å
1108L88.9Confident78.6Confident2 Ų252.8 Ų52.81%0.0129%0.293CS..Hα-helixtrans-59.3-43.5176.5-177.261.5000112E1104 V1105 K1110 T1111 L1112 F1149 V1154 F1208 F1211 L1246 F1250E1104-L1108 PolarHBondContact O-N 2.94Å; V1105-L1108 PolarHBondContact O-N 3.18Å; L1108-K1110 PolarHBondContact O-N 3.04Å; L1108-T1111 PolarHBondContact O-N 2.76Å; L1108-T1111 VanDerWaalsContact O-N 3.12Å; L1108-T1111 PolarHBondContact O-OG1 3.35Å; L1108-L1112 HydrophobicContact CD1-CD1 4.2Å; L1108-L1112 HydrophobicContact CD1-CG 4.27Å; L1108-L1112 HydrophobicContact CG-CD1 4.13Å; L1108-L1112 PolarHBondContact O-N 3.36Å; L1108-F1149 HydrophobicContact CB-CE1 4.38Å; L1108-F1149 HydrophobicContact CD2-CE1 4.04Å; L1108-F1149 HydrophobicContact CG-CE1 4.11Å; L1108-F1149 HydrophobicContact CG-CZ 4.26Å; L1108-V1154 HydrophobicContact CD2-CG1 4.49Å; L1108-V1154 HydrophobicContact CD2-CG2 3.69Å; L1108-V1154 HydrophobicContact CG-CG2 4.48Å; L1108-F1208 HydrophobicContact CD1-CD1 4.23Å; L1108-F1211 HydrophobicContact CB-CD2 3.75Å; L1108-F1211 HydrophobicContact CB-CE2 3.83Å; L1108-F1211 HydrophobicContact CD1-CB 3.7Å; L1108-F1211 HydrophobicContact CD1-CD1 4.28Å; L1108-F1211 HydrophobicContact CD1-CD2 3.69Å; L1108-F1211 HydrophobicContact CD1-CE2 4.35Å; L1108-F1211 HydrophobicContact CD1-CG 3.62Å; L1108-F1211 HydrophobicContact CG-CD2 4.31Å; L1108-L1246 HydrophobicContact CD1-CD2 4.27Å; L1108-L1246 HydrophobicContact CD2-CD2 3.89Å; L1108-F1250 HydrophobicContact CD2-CE2 3.91Å; L1108-F1250 HydrophobicContact CD2-CZ 3.93Å
1109A87.1Confident75.9Confident12 Ų1256 Ų5610%0.09932%0.319CS..Hα-helixtrans-61.7-41.8177.900000113.2V1105 R1107 T1111 L1112 N1113 L1140 F1149V1105-A1109 WeakPolarHBondContact O-CB 3.43Å; V1105-A1109 PolarHBondContact O-N 2.78Å; R1107-A1109 VanDerWaalsContact C-N 3.34Å; R1107-A1109 PolarHBondContact O-N 3.27Å; A1109-T1111 PolarHBondContact O-N 3.44Å; A1109-L1112 PolarHBondContact O-N 2.82Å; A1109-N1113 PolarHBondContact O-N 3.17Å; A1109-L1140 HydrophobicContact CB-CD1 3.15Å; A1109-F1149 HydrophobicContact CB-CD2 4.32Å; A1109-F1149 HydrophobicContact CB-CE1 4.17Å; A1109-F1149 HydrophobicContact CB-CE2 3.63Å; A1109-F1149 HydrophobicContact CB-CZ 3.55Å
1110K85.1Confident73.2Confident133 Ų13360.7 Ų60.758%0.57834%0.339SS*.Hα-helixtrans-58.8-37.2173.9-74.5173.8179.6177.90112.2T1106 R1107 L1108T1106-K1110 WeakPolarHBondContact O-CG 3.41Å; T1106-K1110 PolarHBondContact O-N 3.49Å; T1106-K1110 VanDerWaalsContact O-N 3.11Å; R1107-K1110 PolarHBondContact O-N 3.49Å; L1108-K1110 PolarHBondContact O-N 3.04Å
1111T86.1Confident70.4Confident23 Ų2365.2 Ų65.214%0.14136%0.364CS..Hα-helixtrans-74-35.2178.162.20000113.4R1107 L1108 A1109 E1210 F1211R1107-T1111 WeakPolarHBondContact O-CG2 3.28Å; R1107-T1111 PolarHBondContact O-N 3.38Å; L1108-T1111 PolarHBondContact O-N 2.76Å; L1108-T1111 VanDerWaalsContact O-N 3.12Å; L1108-T1111 PolarHBondContact O-OG1 3.35Å; A1109-T1111 PolarHBondContact O-N 3.44Å; T1111-E1210 HydrophobicContact CG2-CB 4.41Å; T1111-E1210 HydrophobicContact CG2-CG 3.81Å; T1111-F1211 HydrophobicContact CG2-CB 4.49Å
1112L85.6Confident67.7Low13 Ų1370.3 Ų70.37%0.06840%0.4CS..Hα-helixtrans-82.3-33.7-177.4-67.3-178.5000113.5L1108 A1109 F1149 E1153 V1154 R1157 F1208L1108-L1112 HydrophobicContact CD1-CD1 4.2Å; L1108-L1112 HydrophobicContact CD1-CG 4.27Å; L1108-L1112 HydrophobicContact CG-CD1 4.13Å; L1108-L1112 PolarHBondContact O-N 3.36Å; A1109-L1112 PolarHBondContact O-N 2.82Å; L1112-F1149 HydrophobicContact CD1-CZ 3.96Å; L1112-E1153 HydrophobicContact CD1-CB 4.45Å; L1112-V1154 HydrophobicContact CD1-CG2 4.1Å; L1112-R1157 PolarHBondContact O-NH2 3.47Å; L1112-F1208 HydrophobicContact CD1-CD1 4.48Å; L1112-F1208 HydrophobicContact CD1-CE1 4.18Å; L1112-F1208 HydrophobicContact CD2-CD1 4.06Å; L1112-F1208 HydrophobicContact CD2-CE1 4.26Å
1113N77.7Confident65Low46 Ų4675.7 Ų75.725%0.24643%0.433CS..  trans-12774.3-176-73.4-22.8000111.2A1109 S1115 S1116 E1153 R1157A1109-N1113 PolarHBondContact O-N 3.17Å; N1113-S1115 PolarHBondContact O-N 3.42Å; N1113-S1116 PolarHBondContact O-N 2.97Å; N1113-E1153 VanDerWaalsContact ND2-CD 3.27Å; N1113-E1153 PolarHBondContact ND2-OE1 3.21Å; N1113-R1157 PolarHBondContact OD1-NH2 2.97Å; N1113-R1157 VanDerWaalsContact OD1-NH2 3.08Å
1114P63.1Low62.4Low64 Ų6477 Ų7742%0.41644%0.444SS..G310 helixtrans-63.2-23.6-179.624.7-33.7000113S1116 A1117P1114-S1116 PolarHBondContact O-N 3.28Å; P1114-A1117 VanDerWaalsContact O-CB 3.25Å; P1114-A1117 WeakPolarHBondContact O-CB 3.33Å; P1114-A1117 PolarHBondContact O-N 2.79Å
1115S52.1Low59.7Low123 Ų12383.5 Ų83.586%0.8648%0.479SS*.G310 helixtrans-67.1-15178.4-41.40000114N1113N1113-S1115 PolarHBondContact O-N 3.42Å
1116S48.4Very low57Low78 Ų7891.7 Ų91.755%0.54552%0.522SS..G310 helixtrans-88.9-4.5173-53.60000112.6N1113 P1114 I1118N1113-S1116 PolarHBondContact O-N 2.97Å; P1114-S1116 PolarHBondContact O-N 3.28Å; S1116-I1118 PolarHBondContact O-N 3.3Å
1117A39.5Very low54.8Low66 Ų6694.3 Ų94.355%0.54554%0.539SS..  trans-82.491.417400000109.9P1114P1114-A1117 VanDerWaalsContact O-CB 3.25Å; P1114-A1117 WeakPolarHBondContact O-CB 3.33Å; P1114-A1117 PolarHBondContact O-N 2.79Å
1118I37.9Very low52.3Low132 Ų13299.2 Ų99.268%0.67757%0.57SS**  trans-59.5136.1161.1-61.5175000107.3S1116 Q1120S1116-I1118 PolarHBondContact O-N 3.3Å; I1118-Q1120 PolarHBondContact O-N 2.89Å
1119P36.5Very low49.6Very low102 Ų102104.2 Ų104.266%0.66261%0.605SS**  trans-54.2133.5-177.3-22.331.3000111L1121P1119-L1121 VanDerWaalsContact C-N 3.31Å; P1119-L1121 PolarHBondContact O-N 3.48Å
1120Q33.8Very low47.1Very low190 Ų190110.4 Ų110.489%0.88864%0.637SS**  trans-54.495.6165.9-66.1174.1-16.300108.3I1118 S1122I1118-Q1120 PolarHBondContact O-N 2.89Å; Q1120-S1122 PolarHBondContact O-N 3.04Å; Q1120-S1122 VanDerWaalsContact O-N 3.16Å
1121L31.4Very low44.8Very low140 Ų140112.5 Ų112.573%0.73365%0.654SS**  trans-68.1111.4160.6-109.591000106P1119 T1123P1119-L1121 VanDerWaalsContact C-N 3.31Å; P1119-L1121 PolarHBondContact O-N 3.48Å; L1121-T1123 PolarHBondContact O-N 3.18Å; L1121-T1123 PolarHBondContact O-OG1 3.39Å
1122S34.8Very low42.5Very low112 Ų112115.8 Ų115.878%0.78368%0.677SS**  trans-38.8104.9157.148.70000109.5Q1120Q1120-S1122 PolarHBondContact O-N 3.04Å; Q1120-S1122 VanDerWaalsContact O-N 3.16Å
1123T34.3Very low40.1Very low125 Ų125122.4 Ų122.477%0.76771%0.713SS**  trans-108.165.6177.434.70000108.7L1121L1121-T1123 PolarHBondContact O-N 3.18Å; L1121-T1123 PolarHBondContact O-OG1 3.39Å
1124D34.1Very low38.4Very low144 Ų144123.3 Ų123.377%0.7772%0.722SS**  trans-79121.7137.6-76.5-30.5000106
1125N33.4Very low37.4Very low149 Ų149125.4 Ų125.480%0.79774%0.735SS**SBendtrans85.2105.1169.7-43.5-55.2000117.5
1126L32.2Very low37Very low173 Ų173125.2 Ų125.291%0.90672%0.724SS**  151.8144.4109.1-148.264.5000110.6
1127P42.5Very low36.9Very low95 Ų95125.6 Ų125.662%0.61773%0.726SS**  trans-100164.2-161.235.8-23.7000113.9
1128D34.1Very low37.3Very low161 Ų161128 Ų12886%0.86172%0.724SS**  trans48.187.5156.2-61.1-26.7000117.3
1129S32.6Very low38.3Very low108 Ų108127.8 Ų127.876%0.75572%0.72SS**  trans-165.2112.5156174.90000110.8
1130D33.5Very low39.9Very low141 Ų141124.3 Ų124.375%0.75470%0.696SS**  trans40.695.8147.8-56.4-31.9000118.5S1132D1130-S1132 VanDerWaalsContact C-N 3.28Å; D1130-S1132 PolarHBondContact O-N 3.35Å
1131L37.2Very low41.9Very low178 Ų178120.5 Ų120.593%0.93268%0.678SS**  trans-66.475.2170.8-72.2156000111.9
1132S37Very low44.6Very low92 Ų92115.9 Ų115.964%0.64366%0.656SS**  trans-130.9120.515760.10000108.4D1130D1130-S1132 VanDerWaalsContact C-N 3.28Å; D1130-S1132 PolarHBondContact O-N 3.35Å
1133D36.3Very low47.3Very low152 Ų152110.6 Ų110.681%0.81362%0.619SS**SBendtrans117.642.6168.5-60.6-17.7000118.6
1134S41.6Very low49.9Very low64 Ų64108.2 Ų108.245%0.44860%0.599SS.*  trans-131.754.6156.476.20000112.6N1136S1134-N1136 VanDerWaalsContact C-N 3.26Å; S1134-N1136 PolarHBondContact O-N 3.36Å; S1134-N1136 VanDerWaalsContact O-N 3.11Å
1135T42.9Very low52.6Low109 Ų109102.9 Ų102.967%0.66957%0.572SS**THydrogen-bonded Turntrans-69.2-7.1-165.9-12.80000116.1
1136N42.3Very low55.3Low119 Ų11995.8 Ų95.864%0.63653%0.534SS*.THydrogen-bonded Turntrans-101.4-19.5-175.9-78.4-13.9000116S1134S1134-N1136 VanDerWaalsContact C-N 3.26Å; S1134-N1136 PolarHBondContact O-N 3.36Å; S1134-N1136 VanDerWaalsContact O-N 3.11Å
1137S46.6Very low58.1Low85 Ų8589.8 Ų89.859%0.59450%0.502SS*.THydrogen-bonded Turntrans-87.5-13.2177.5-168.30000113.6H1139S1137-H1139 PolarHBondContact O-N 2.87Å
1138F48.9Very low60.4Low116 Ų11691.4 Ų91.451%0.50950%0.496SS..G310 helixtrans-72-15.8176.9-85.8-85.2000113.2L1140F1138-L1140 PolarHBondContact O-N 3.33Å
1139H57.4Low63.2Low128 Ų12884.6 Ų84.659%0.59346%0.459SS*.G310 helixtrans-73.13.8-170-105-73.2000116S1137 T1145S1137-H1139 PolarHBondContact O-N 2.87Å; H1139-T1145 WeakPolarHBondContact O-CB 3.47Å; H1139-T1145 WeakPolarHBondContact O-CG2 3.22Å; H1139-T1145 PolarHBondContact O-OG1 3.45Å
1140L70.1Confident66.1Low30 Ų3080.1 Ų80.116%0.15743%0.425CS..G310 helixtrans-133.622.6-178-65.7170.3000114.3V1105 A1109 F1138 T1145 F1149V1105-L1140 HydrophobicContact CG1-CD2 4.23Å; A1109-L1140 HydrophobicContact CB-CD1 3.15Å; F1138-L1140 PolarHBondContact O-N 3.33Å; L1140-T1145 WeakPolarHBondContact CA-OG1 3.47Å; L1140-F1149 HydrophobicContact CD2-CB 3.52Å; L1140-F1149 HydrophobicContact CD2-CD1 4.35Å; L1140-F1149 HydrophobicContact CD2-CD2 4.23Å; L1140-F1149 HydrophobicContact CD2-CG 3.78Å
1141Q76.3Confident68.9Low109 Ų10977.6 Ų77.651%0.50941%0.411SS..SBendtrans-87.6-3.6-176.7-65.1-179.3-3.600114.1L1102L1102-Q1141 WeakPolarHBondContact CD1-O 3.42Å
1142T89.1Confident71.4Confident43 Ų4375.5 Ų75.526%0.26440%0.396SS..SBendtrans-126.4153.5-173.3660000111.3L1102 E1144 T1145 A1146 E1260L1102-T1142 WeakPolarHBondContact CD2-O 3.38Å; T1142-E1144 PolarHBondContact O-N 2.91Å; T1142-T1145 PolarHBondContact N-OG1 2.98Å; T1142-T1145 PolarHBondContact O-N 2.95Å; T1142-T1145 PolarHBondContact O-OG1 2.83Å; T1142-T1145 WeakPolarHBondContact OG1-CB 3.42Å; T1142-T1145 VanDerWaalsContact OG1-CG2 3.3Å; T1142-T1145 WeakPolarHBondContact OG1-CG2 3.35Å; T1142-T1145 PolarHBondContact OG1-N 3.3Å; T1142-T1145 VanDerWaalsContact OG1-N 3.17Å; T1142-T1145 PolarHBondContact OG1-OG1 3.41Å; T1142-A1146 WeakPolarHBondContact O-CB 3.43Å; T1142-A1146 PolarHBondContact O-N 3.14Å; T1142-E1260 WeakPolarHBondContact CB-OE1 3.36Å; T1142-E1260 WeakPolarHBondContact CG2-OE1 3.2Å
1143C90.3Very high73.9Confident1 Ų173.4 Ų73.41%0.00738%0.377CS..Hα-helixtrans-60.1-36.5176.2-69.40000111.5R1098 A1146 Q1147 L1253 R1257 E1260R1098-C1143 PolarHBondContact NE-SG 2.88Å; R1098-C1143 VanDerWaalsContact NE-SG 3.41Å; C1143-A1146 PolarHBondContact O-N 3.42Å; C1143-Q1147 PolarHBondContact O-N 2.9Å; C1143-L1253 VanDerWaalsContact CB-O 3.31Å; C1143-L1253 WeakPolarHBondContact CB-O 3.35Å; C1143-L1253 PolarHBondContact SG-O 2.85Å; C1143-R1257 HydrophobicContact CB-CB 3.96Å; C1143-R1257 HydrophobicContact CB-CG 4.18Å; C1143-E1260 WeakPolarHBondContact CB-OE2 3.23Å; C1143-E1260 PolarHBondContact N-OE2 3.23Å; C1143-E1260 PolarHBondContact SG-OE2 3.45Å
1144E89.5Confident76.6Confident75 Ų7566.2 Ų66.235%0.3534%0.338SS..Hα-helixtrans-64.6-46.6178.1175.6166.8174.500112.6T1142 A1146 Q1147 Y1148 R1257T1142-E1144 PolarHBondContact O-N 2.91Å; E1144-A1146 VanDerWaalsContact C-N 3.32Å; E1144-A1146 PolarHBondContact O-N 3.2Å; E1144-Q1147 WeakPolarHBondContact O-CB 3.48Å; E1144-Q1147 PolarHBondContact O-N 2.88Å; E1144-Q1147 VanDerWaalsContact O-N 3.15Å; E1144-Y1148 HydrophobicContact CG-CD2 4.05Å; E1144-Y1148 HydrophobicContact CG-CE2 3.58Å; E1144-Y1148 WeakPolarHBondContact O-CD2 3.34Å; E1144-Y1148 PolarHBondContact O-N 3.21Å; E1144-Y1148 VanDerWaalsContact O-N 3.11Å; E1144-R1257 IonicContact OE1-NH2 2.9Å; E1144-R1257 IonicContact OE2-CZ 2.65Å; E1144-R1257 IonicContact OE2-NE 3.88Å; E1144-R1257 IonicContact OE2-NH2 3.96Å; E1144-R1257 PolarHBondContact OE2-NH2 3.14Å
1145T90.5Very high79.1Confident32 Ų3265.3 Ų65.320%0.19633%0.328CS..Hα-helixtrans-67.7-35.1177.852.70000112.5H1139 L1140 T1142 Q1147 Y1148 F1149H1139-T1145 WeakPolarHBondContact O-CB 3.47Å; H1139-T1145 WeakPolarHBondContact O-CG2 3.22Å; H1139-T1145 PolarHBondContact O-OG1 3.45Å; L1140-T1145 WeakPolarHBondContact CA-OG1 3.47Å; T1142-T1145 PolarHBondContact N-OG1 2.98Å; T1142-T1145 PolarHBondContact O-N 2.95Å; T1142-T1145 PolarHBondContact O-OG1 2.83Å; T1142-T1145 WeakPolarHBondContact OG1-CB 3.42Å; T1142-T1145 VanDerWaalsContact OG1-CG2 3.3Å; T1142-T1145 WeakPolarHBondContact OG1-CG2 3.35Å; T1142-T1145 PolarHBondContact OG1-N 3.3Å; T1142-T1145 VanDerWaalsContact OG1-N 3.17Å; T1142-T1145 PolarHBondContact OG1-OG1 3.41Å; T1145-Q1147 VanDerWaalsContact C-N 3.28Å; T1145-Q1147 PolarHBondContact O-N 3.5Å; T1145-Y1148 PolarHBondContact O-N 3.11Å; T1145-F1149 WeakPolarHBondContact O-CB 3.36Å; T1145-F1149 PolarHBondContact O-N 3.46Å
1146A91.1Very high81.4Confident0 Ų063.1 Ų63.10%032%0.317CS..Hα-helixtrans-59.6-38170.700000112.1L1102 V1105 T1142 C1143 E1144 F1149 Y1150 F1250 L1253L1102-A1146 HydrophobicContact CD2-CB 4.08Å; V1105-A1146 HydrophobicContact CG1-CB 3.98Å; V1105-A1146 HydrophobicContact CG2-CB 4.22Å; T1142-A1146 WeakPolarHBondContact O-CB 3.43Å; T1142-A1146 PolarHBondContact O-N 3.14Å; C1143-A1146 PolarHBondContact O-N 3.42Å; E1144-A1146 VanDerWaalsContact C-N 3.32Å; E1144-A1146 PolarHBondContact O-N 3.2Å; A1146-F1149 PolarHBondContact O-N 3.3Å; A1146-Y1150 PolarHBondContact O-N 2.94Å; A1146-F1250 HydrophobicContact CB-CD1 4.4Å; A1146-F1250 HydrophobicContact CB-CE1 4.32Å; A1146-F1250 WeakPolarHBondContact O-CD1 3.35Å; A1146-F1250 VanDerWaalsContact O-CE1 3.29Å; A1146-F1250 WeakPolarHBondContact O-CE1 3.48Å; A1146-L1253 HydrophobicContact CB-CD1 3.88Å
1147Q91.2Very high83.8Confident48 Ų4861.3 Ų61.322%0.22430%0.301CS..Hα-helixtrans-68.8-40.8177.2-172.364.22.900112.6C1143 E1144 T1145 F1149 Y1150 I1151C1143-Q1147 PolarHBondContact O-N 2.9Å; E1144-Q1147 WeakPolarHBondContact O-CB 3.48Å; E1144-Q1147 PolarHBondContact O-N 2.88Å; E1144-Q1147 VanDerWaalsContact O-N 3.15Å; T1145-Q1147 VanDerWaalsContact C-N 3.28Å; T1145-Q1147 PolarHBondContact O-N 3.5Å; Q1147-F1149 VanDerWaalsContact C-N 3.34Å; Q1147-Y1150 WeakPolarHBondContact O-CB 3.24Å; Q1147-Y1150 PolarHBondContact O-N 3.11Å; Q1147-I1151 HydrophobicContact CG-CD1 4.39Å; Q1147-I1151 WeakPolarHBondContact O-CG1 3.38Å; Q1147-I1151 PolarHBondContact O-N 3.36Å; Q1147-I1151 VanDerWaalsContact O-N 3.08Å
1148Y90.5Very high86.1Confident129 Ų12958.4 Ų58.451%0.50628%0.277SS..Hα-helixtrans-61-44.2172.6-73.7-63.9000111.7E1144 T1145 Y1150 I1151 Q1152E1144-Y1148 HydrophobicContact CG-CD2 4.05Å; E1144-Y1148 HydrophobicContact CG-CE2 3.58Å; E1144-Y1148 WeakPolarHBondContact O-CD2 3.34Å; E1144-Y1148 PolarHBondContact O-N 3.21Å; E1144-Y1148 VanDerWaalsContact O-N 3.11Å; T1145-Y1148 PolarHBondContact O-N 3.11Å; Y1148-Y1150 VanDerWaalsContact C-N 3.34Å; Y1148-Y1150 PolarHBondContact O-N 3.26Å; Y1148-I1151 PolarHBondContact O-N 3.02Å; Y1148-Q1152 WeakPolarHBondContact O-CB 3.41Å; Y1148-Q1152 WeakPolarHBondContact O-CG 3.46Å; Y1148-Q1152 PolarHBondContact O-N 2.95Å
1149F92.2Very high88.2Confident17 Ų1758.1 Ų58.18%0.07528%0.278CS..Hα-helixtrans-61.1-41.5175172.3-103.7000112.3V1105 L1108 A1109 L1112 L1140 T1145 A1146 Q1147 I1151 E1153 V1154 F1250V1105-F1149 HydrophobicContact CG1-CD1 3.73Å; V1105-F1149 HydrophobicContact CG1-CE1 4.1Å; L1108-F1149 HydrophobicContact CB-CE1 4.38Å; L1108-F1149 HydrophobicContact CD2-CE1 4.04Å; L1108-F1149 HydrophobicContact CG-CE1 4.11Å; L1108-F1149 HydrophobicContact CG-CZ 4.26Å; A1109-F1149 HydrophobicContact CB-CD2 4.32Å; A1109-F1149 HydrophobicContact CB-CE1 4.17Å; A1109-F1149 HydrophobicContact CB-CE2 3.63Å; A1109-F1149 HydrophobicContact CB-CZ 3.55Å; L1112-F1149 HydrophobicContact CD1-CZ 3.96Å; L1140-F1149 HydrophobicContact CD2-CB 3.52Å; L1140-F1149 HydrophobicContact CD2-CD1 4.35Å; L1140-F1149 HydrophobicContact CD2-CD2 4.23Å; L1140-F1149 HydrophobicContact CD2-CG 3.78Å; T1145-F1149 WeakPolarHBondContact O-CB 3.36Å; T1145-F1149 PolarHBondContact O-N 3.46Å; A1146-F1149 PolarHBondContact O-N 3.3Å; Q1147-F1149 VanDerWaalsContact C-N 3.34Å; F1149-I1151 PolarHBondContact O-N 2.89Å; F1149-E1153 HydrophobicContact CD2-CB 3.77Å; F1149-E1153 HydrophobicContact CD2-CG 3.78Å; F1149-E1153 HydrophobicContact CE2-CB 3.57Å; F1149-E1153 HydrophobicContact CE2-CG 3.79Å; F1149-E1153 HydrophobicContact CZ-CB 4.23Å; F1149-E1153 WeakPolarHBondContact O-CB 3.35Å; F1149-E1153 PolarHBondContact O-N 3.49Å; F1149-V1154 HydrophobicContact CD1-CG2 4.1Å; F1149-V1154 HydrophobicContact CE1-CG2 3.65Å; F1149-V1154 HydrophobicContact CZ-CG2 4.08Å; F1149-V1154 PolarHBondContact O-N 2.98Å; F1149-F1250 HydrophobicContact CD1-CE1 4.02Å; F1149-F1250 AromaticContact CD1-CZ 3.88Å; F1149-F1250 HydrophobicContact CD1-CZ 3.88Å; F1149-F1250 HydrophobicContact CE1-CZ 4.03Å
1150Y93.8Very high89.9Confident14 Ų1455.7 Ų55.76%0.05527%0.269CS..Iπ-helixtrans-57.1-49.6174.5175.2-111.7000112A1146 Q1147 Y1148 V1154 L1155 F1243 H1247 F1250A1146-Y1150 PolarHBondContact O-N 2.94Å; Q1147-Y1150 WeakPolarHBondContact O-CB 3.24Å; Q1147-Y1150 PolarHBondContact O-N 3.11Å; Y1148-Y1150 VanDerWaalsContact C-N 3.34Å; Y1148-Y1150 PolarHBondContact O-N 3.26Å; Y1150-V1154 HydrophobicContact CD2-CB 3.82Å; Y1150-V1154 HydrophobicContact CD2-CG1 3.92Å; Y1150-V1154 HydrophobicContact CD2-CG2 4.47Å; Y1150-V1154 HydrophobicContact CE2-CB 4.33Å; Y1150-V1154 HydrophobicContact CE2-CG1 4.05Å; Y1150-V1154 WeakPolarHBondContact O-CB 3.43Å; Y1150-V1154 PolarHBondContact O-N 3.36Å; Y1150-L1155 HydrophobicContact CE1-CB 4.41Å; Y1150-L1155 HydrophobicContact CE1-CD1 3.81Å; Y1150-L1155 WeakPolarHBondContact O-CB 3.42Å; Y1150-L1155 PolarHBondContact O-N 3.09Å; Y1150-F1243 HydrophobicContact CE2-CZ 4.32Å; Y1150-H1247 AromaticContact CE2-ND1 3.99Å; Y1150-H1247 AromaticContact CZ-ND1 3.36Å; Y1150-H1247 PolarHBondContact OH-CE1 2.94Å; Y1150-H1247 PolarHBondContact OH-ND1 2.88Å; Y1150-F1250 HydrophobicContact CD1-CB 4.43Å; Y1150-F1250 HydrophobicContact CD2-CB 4Å; Y1150-F1250 HydrophobicContact CD2-CD1 4.3Å; Y1150-F1250 AromaticContact CD2-CD2 3.24Å; Y1150-F1250 HydrophobicContact CD2-CD2 3.24Å; Y1150-F1250 AromaticContact CD2-CE2 3.69Å; Y1150-F1250 HydrophobicContact CD2-CE2 3.69Å; Y1150-F1250 AromaticContact CD2-CG 3.59Å; Y1150-F1250 HydrophobicContact CD2-CG 3.59Å; Y1150-F1250 HydrophobicContact CD2-CZ 4.35Å; Y1150-F1250 AromaticContact CE2-CD2 3.95Å; Y1150-F1250 HydrophobicContact CE2-CD2 3.95Å; Y1150-F1250 HydrophobicContact CE2-CG 4.46Å; Y1150-F1250 HydrophobicContact CG-CB 3.93Å; Y1150-F1250 HydrophobicContact CG-CD1 4.13Å; Y1150-F1250 AromaticContact CG-CD2 3.88Å; Y1150-F1250 HydrophobicContact CG-CD2 3.88Å; Y1150-F1250 HydrophobicContact CG-CE2 4.41Å; Y1150-F1250 AromaticContact CG-CG 3.71Å; Y1150-F1250 HydrophobicContact CG-CG 3.71Å
1151I91.5Very high91Very high89 Ų8954.3 Ų54.346%0.45626%0.262SS..Iπ-helixtrans-67.3-47.2-177.4-64.3167.7000111Q1147 Y1148 F1149Q1147-I1151 HydrophobicContact CG-CD1 4.39Å; Q1147-I1151 WeakPolarHBondContact O-CG1 3.38Å; Q1147-I1151 PolarHBondContact O-N 3.36Å; Q1147-I1151 VanDerWaalsContact O-N 3.08Å; Y1148-I1151 PolarHBondContact O-N 3.02Å; F1149-I1151 PolarHBondContact O-N 2.89Å
1152Q89.9Confident91.7Very high133 Ų13351.7 Ų51.762%0.62125%0.251SS*.Iπ-helixtrans-78.1-39.9-171.6-67.7179.7-300113.3Y1148 S1156Y1148-Q1152 WeakPolarHBondContact O-CB 3.41Å; Y1148-Q1152 WeakPolarHBondContact O-CG 3.46Å; Y1148-Q1152 PolarHBondContact O-N 2.95Å; Q1152-S1156 VanDerWaalsContact O-CB 3.24Å; Q1152-S1156 WeakPolarHBondContact O-CB 3.29Å
1153E89.9Confident91.6Very high49 Ų4953.1 Ų53.123%0.22926%0.262CS..Iπ-helixtrans-109.2-40.8-170.4-68.5-71.8178.400112.9L1112 N1113 F1149 R1157L1112-E1153 HydrophobicContact CD1-CB 4.45Å; N1113-E1153 VanDerWaalsContact ND2-CD 3.27Å; N1113-E1153 PolarHBondContact ND2-OE1 3.21Å; F1149-E1153 HydrophobicContact CD2-CB 3.77Å; F1149-E1153 HydrophobicContact CD2-CG 3.78Å; F1149-E1153 HydrophobicContact CE2-CB 3.57Å; F1149-E1153 HydrophobicContact CE2-CG 3.79Å; F1149-E1153 HydrophobicContact CZ-CB 4.23Å; F1149-E1153 WeakPolarHBondContact O-CB 3.35Å; F1149-E1153 PolarHBondContact O-N 3.49Å; E1153-R1157 WeakPolarHBondContact O-CB 3.46Å; E1153-R1157 WeakPolarHBondContact O-CD 3.12Å; E1153-R1157 WeakPolarHBondContact O-CG 3.38Å; E1153-R1157 PolarHBondContact O-NE 3.35Å; E1153-R1157 IonicContact OE2-CZ 3.32Å; E1153-R1157 IonicContact OE2-NE 2.83Å; E1153-R1157 PolarHBondContact OE2-NE 3.01Å; E1153-R1157 IonicContact OE2-NH2 3.79Å; E1153-R1157 PolarHBondContact OE2-NH2 3.36Å
1154V92.9Very high91.4Very high0 Ų057.6 Ų57.60%028%0.282CS..Iπ-helixtrans-84.3-55.5-174.5-176.10000110.5L1108 L1112 F1149 Y1150 R1157 W1158 F1208 F1243 F1250L1108-V1154 HydrophobicContact CD2-CG1 4.49Å; L1108-V1154 HydrophobicContact CD2-CG2 3.69Å; L1108-V1154 HydrophobicContact CG-CG2 4.48Å; L1112-V1154 HydrophobicContact CD1-CG2 4.1Å; F1149-V1154 HydrophobicContact CD1-CG2 4.1Å; F1149-V1154 HydrophobicContact CE1-CG2 3.65Å; F1149-V1154 HydrophobicContact CZ-CG2 4.08Å; F1149-V1154 PolarHBondContact O-N 2.98Å; Y1150-V1154 HydrophobicContact CD2-CB 3.82Å; Y1150-V1154 HydrophobicContact CD2-CG1 3.92Å; Y1150-V1154 HydrophobicContact CD2-CG2 4.47Å; Y1150-V1154 HydrophobicContact CE2-CB 4.33Å; Y1150-V1154 HydrophobicContact CE2-CG1 4.05Å; Y1150-V1154 WeakPolarHBondContact O-CB 3.43Å; Y1150-V1154 PolarHBondContact O-N 3.36Å; V1154-R1157 PolarHBondContact O-N 2.99Å; V1154-W1158 WeakPolarHBondContact O-CB 3.36Å; V1154-W1158 PolarHBondContact O-N 2.96Å; V1154-F1208 HydrophobicContact CG1-CE1 3.84Å; V1154-F1208 HydrophobicContact CG1-CZ 3.77Å; V1154-F1208 WeakPolarHBondContact O-CZ 3.15Å; V1154-F1243 HydrophobicContact CG1-CE2 4.15Å; V1154-F1250 HydrophobicContact CG1-CE2 4.38Å; V1154-F1250 HydrophobicContact CG2-CE2 4.06Å; V1154-F1250 HydrophobicContact CG2-CZ 4.01Å
1155L93.4Very high91.1Very high46 Ų4654.9 Ų54.924%0.24127%0.269CS..Iπ-helixtrans-67-41.8-176.8-173.3146000111.5Y1150 R1157 W1158 E1159Y1150-L1155 HydrophobicContact CE1-CB 4.41Å; Y1150-L1155 HydrophobicContact CE1-CD1 3.81Å; Y1150-L1155 WeakPolarHBondContact O-CB 3.42Å; Y1150-L1155 PolarHBondContact O-N 3.09Å; L1155-R1157 PolarHBondContact O-N 2.84Å; L1155-W1158 WeakPolarHBondContact O-CB 3.18Å; L1155-W1158 PolarHBondContact O-N 3.13Å; L1155-E1159 VanDerWaalsContact CD2-CD 3.42Å; L1155-E1159 HydrophobicContact CD2-CG 4.07Å; L1155-E1159 WeakPolarHBondContact CD2-OE1 3.42Å; L1155-E1159 WeakPolarHBondContact O-CG 3.45Å; L1155-E1159 PolarHBondContact O-N 2.63Å
1156S92.2Very high90.6Very high62 Ų6256.6 Ų56.643%0.43429%0.286SS..Hα-helixtrans-58.4-44.4175.4-1780000112.8Q1152 E1159 D1160Q1152-S1156 VanDerWaalsContact O-CB 3.24Å; Q1152-S1156 WeakPolarHBondContact O-CB 3.29Å; S1156-E1159 PolarHBondContact O-N 3.19Å; S1156-D1160 PolarHBondContact O-N 2.67Å
1157R93.6Very high89.9Confident81 Ų8160 Ų6031%0.30632%0.315SS..Hα-helixtrans-69.5-34.4177.2-69.3175.2-168.3-115.35.6112.5L1112 N1113 E1153 V1154 L1155 F1161 P1207L1112-R1157 PolarHBondContact O-NH2 3.47Å; N1113-R1157 PolarHBondContact OD1-NH2 2.97Å; N1113-R1157 VanDerWaalsContact OD1-NH2 3.08Å; E1153-R1157 WeakPolarHBondContact O-CB 3.46Å; E1153-R1157 WeakPolarHBondContact O-CD 3.12Å; E1153-R1157 WeakPolarHBondContact O-CG 3.38Å; E1153-R1157 PolarHBondContact O-NE 3.35Å; E1153-R1157 IonicContact OE2-CZ 3.32Å; E1153-R1157 IonicContact OE2-NE 2.83Å; E1153-R1157 PolarHBondContact OE2-NE 3.01Å; E1153-R1157 IonicContact OE2-NH2 3.79Å; E1153-R1157 PolarHBondContact OE2-NH2 3.36Å; V1154-R1157 PolarHBondContact O-N 2.99Å; L1155-R1157 PolarHBondContact O-N 2.84Å; R1157-F1161 WeakPolarHBondContact O-CB 3.4Å; R1157-F1161 PolarHBondContact O-N 2.98Å; R1157-P1207 HydrophobicContact CB-CB 4.04Å; R1157-P1207 HydrophobicContact CB-CG 4.1Å
1158W94.9Very high88.8Confident25 Ų2560.4 Ų60.410%0.09532%0.323CS..Hα-helixtrans-65.1-44.7172.9174.4-105.5000111.9V1154 L1155 F1161 I1162 F1206 F1208 A1239 H1240 F1243V1154-W1158 WeakPolarHBondContact O-CB 3.36Å; V1154-W1158 PolarHBondContact O-N 2.96Å; L1155-W1158 WeakPolarHBondContact O-CB 3.18Å; L1155-W1158 PolarHBondContact O-N 3.13Å; W1158-F1161 AromaticContact CE3-CD1 3.72Å; W1158-F1161 HydrophobicContact CE3-CD1 3.72Å; W1158-F1161 HydrophobicContact CE3-CE1 4.22Å; W1158-F1161 HydrophobicContact CH2-CD1 4.27Å; W1158-F1161 HydrophobicContact CH2-CE1 4.1Å; W1158-F1161 AromaticContact CZ3-CD1 3.57Å; W1158-F1161 HydrophobicContact CZ3-CD1 3.57Å; W1158-F1161 AromaticContact CZ3-CE1 3.59Å; W1158-F1161 HydrophobicContact CZ3-CE1 3.59Å; W1158-F1161 WeakPolarHBondContact O-CB 3.47Å; W1158-F1161 PolarHBondContact O-N 2.79Å; W1158-I1162 HydrophobicContact CD2-CG1 4.15Å; W1158-I1162 HydrophobicContact CH2-CD1 3.93Å; W1158-I1162 HydrophobicContact CH2-CG1 4.45Å; W1158-I1162 HydrophobicContact CZ2-CD1 3.64Å; W1158-I1162 HydrophobicContact CZ2-CG1 3.88Å; W1158-I1162 WeakPolarHBondContact O-CG1 3.49Å; W1158-I1162 PolarHBondContact O-N 3.03Å; W1158-F1206 HydrophobicContact CZ3-CE2 4.22Å; W1158-F1208 HydrophobicContact CB-CE2 4.25Å; W1158-F1208 HydrophobicContact CB-CZ 4.26Å; W1158-F1208 HydrophobicContact CE3-CE2 4.09Å; W1158-A1239 HydrophobicContact CH2-CB 4.38Å; W1158-A1239 HydrophobicContact CZ3-CB 4.32Å; W1158-H1240 HydrophobicContact CH2-CB 4.45Å; W1158-H1240 AromaticContact CH2-CG 3.93Å; W1158-H1240 AromaticContact CH2-ND1 3.99Å; W1158-H1240 AromaticContact CZ2-CD2 3.62Å; W1158-H1240 AromaticContact CZ2-CG 3.94Å; W1158-H1240 AromaticContact CZ2-NE2 3.71Å; W1158-F1243 HydrophobicContact CB-CD2 3.88Å; W1158-F1243 HydrophobicContact CB-CE2 3.4Å; W1158-F1243 HydrophobicContact CB-CZ 3.86Å; W1158-F1243 AromaticContact CD1-CE1 3.6Å; W1158-F1243 AromaticContact CD1-CE2 3.85Å; W1158-F1243 AromaticContact CD1-CZ 3.49Å; W1158-F1243 VanDerWaalsContact CD1-CZ 3.49Å; W1158-F1243 HydrophobicContact CD2-CB 4.03Å; W1158-F1243 AromaticContact CD2-CD1 3.81Å; W1158-F1243 HydrophobicContact CD2-CD1 3.81Å; W1158-F1243 AromaticContact CD2-CD2 3.46Å; W1158-F1243 HydrophobicContact CD2-CD2 3.46Å; W1158-F1243 VanDerWaalsContact CD2-CD2 3.46Å; W1158-F1243 HydrophobicContact CD2-CE1 4.12Å; W1158-F1243 AromaticContact CD2-CE2 3.79Å; W1158-F1243 HydrophobicContact CD2-CE2 3.79Å; W1158-F1243 AromaticContact CD2-CG 3.46Å; W1158-F1243 HydrophobicContact CD2-CG 3.46Å; W1158-F1243 VanDerWaalsContact CD2-CG 3.46Å; W1158-F1243 HydrophobicContact CD2-CZ 4.11Å; W1158-F1243 AromaticContact CE2-CD1 3.54Å; W1158-F1243 AromaticContact CE2-CE1 3.93Å; W1158-F1243 AromaticContact CE2-CG 3.63Å; W1158-F1243 HydrophobicContact CE3-CB 3.76Å; W1158-F1243 HydrophobicContact CE3-CD1 4.42Å; W1158-F1243 AromaticContact CE3-CD2 3.63Å; W1158-F1243 HydrophobicContact CE3-CD2 3.63Å; W1158-F1243 HydrophobicContact CE3-CE2 4.34Å; W1158-F1243 AromaticContact CE3-CG 3.66Å; W1158-F1243 HydrophobicContact CE3-CG 3.66Å; W1158-F1243 HydrophobicContact CG-CD1 4.09Å; W1158-F1243 AromaticContact CG-CD2 3.59Å; W1158-F1243 HydrophobicContact CG-CD2 3.59Å; W1158-F1243 AromaticContact CG-CE1 3.9Å; W1158-F1243 HydrophobicContact CG-CE1 3.9Å; W1158-F1243 AromaticContact CG-CE2 3.36Å; W1158-F1243 HydrophobicContact CG-CE2 3.36Å; W1158-F1243 AromaticContact CG-CG 3.95Å; W1158-F1243 HydrophobicContact CG-CG 3.95Å; W1158-F1243 AromaticContact CG-CZ 3.52Å; W1158-F1243 HydrophobicContact CG-CZ 3.52Å; W1158-F1243 HydrophobicContact CH2-CB 3.7Å; W1158-F1243 HydrophobicContact CH2-CG 4.15Å; W1158-F1243 HydrophobicContact CZ2-CB 3.97Å; W1158-F1243 AromaticContact CZ2-CD1 3.93Å; W1158-F1243 HydrophobicContact CZ2-CD1 3.93Å; W1158-F1243 AromaticContact CZ2-CG 3.97Å; W1158-F1243 HydrophobicContact CZ2-CG 3.97Å; W1158-F1243 HydrophobicContact CZ3-CB 3.59Å; W1158-F1243 HydrophobicContact CZ3-CD2 4.36Å; W1158-F1243 HydrophobicContact CZ3-CG 4Å; W1158-F1243 AromaticContact NE1-CD1 3.69Å; W1158-F1243 AromaticContact NE1-CE1 3.6Å; W1158-F1243 AromaticContact NE1-CZ 4Å
1159E93.2Very high87.3Confident110 Ų11058.6 Ų58.651%0.51432%0.322SS..Hα-helixtrans-64.4-38.9176.5-73-179.1160.400112.4L1155 S1156 I1162 S1163L1155-E1159 VanDerWaalsContact CD2-CD 3.42Å; L1155-E1159 HydrophobicContact CD2-CG 4.07Å; L1155-E1159 WeakPolarHBondContact CD2-OE1 3.42Å; L1155-E1159 WeakPolarHBondContact O-CG 3.45Å; L1155-E1159 PolarHBondContact O-N 2.63Å; S1156-E1159 PolarHBondContact O-N 3.19Å; E1159-I1162 PolarHBondContact O-N 3.02Å; E1159-S1163 VanDerWaalsContact O-CB 3.29Å; E1159-S1163 WeakPolarHBondContact O-CB 3.45Å; E1159-S1163 PolarHBondContact O-N 3.43Å; E1159-S1163 PolarHBondContact O-OG 3.03Å
1160D91.4Very high85Confident77 Ų7763.1 Ų63.141%0.41235%0.351SS..Hα-helixtrans-62.5-44.9172178.444.2000111.4S1156 I1162 S1163 K1164S1156-D1160 PolarHBondContact O-N 2.67Å; D1160-I1162 PolarHBondContact O-N 3.35Å; D1160-S1163 PolarHBondContact O-N 3.25Å; D1160-K1164 WeakPolarHBondContact O-CG 3.28Å; D1160-K1164 PolarHBondContact O-N 2.7Å; D1160-K1164 WeakPolarHBondContact OD1-CE 3.4Å; D1160-K1164 IonicContact OD1-NZ 4Å; D1160-K1164 VanDerWaalsContact OD2-CE 3.31Å; D1160-K1164 WeakPolarHBondContact OD2-CE 3.34Å; D1160-K1164 IonicContact OD2-NZ 2.78Å; D1160-K1164 PolarHBondContact OD2-NZ 2.85Å
1161F92.9Very high82.8Confident1 Ų166.5 Ų66.50%0.00438%0.377CS..Hα-helixtrans-58.5-47.5174.2168.5-106.9000112.5R1157 W1158 S1163 K1164 I1165 I1202 S1205 F1206 P1207 A1239R1157-F1161 WeakPolarHBondContact O-CB 3.4Å; R1157-F1161 PolarHBondContact O-N 2.98Å; W1158-F1161 AromaticContact CE3-CD1 3.72Å; W1158-F1161 HydrophobicContact CE3-CD1 3.72Å; W1158-F1161 HydrophobicContact CE3-CE1 4.22Å; W1158-F1161 HydrophobicContact CH2-CD1 4.27Å; W1158-F1161 HydrophobicContact CH2-CE1 4.1Å; W1158-F1161 AromaticContact CZ3-CD1 3.57Å; W1158-F1161 HydrophobicContact CZ3-CD1 3.57Å; W1158-F1161 AromaticContact CZ3-CE1 3.59Å; W1158-F1161 HydrophobicContact CZ3-CE1 3.59Å; W1158-F1161 WeakPolarHBondContact O-CB 3.47Å; W1158-F1161 PolarHBondContact O-N 2.79Å; F1161-S1163 VanDerWaalsContact C-N 3.34Å; F1161-S1163 PolarHBondContact O-N 2.93Å; F1161-K1164 PolarHBondContact O-N 3.27Å; F1161-I1165 HydrophobicContact CD1-CD1 3.98Å; F1161-I1165 HydrophobicContact CD2-CD1 4.07Å; F1161-I1165 HydrophobicContact CE1-CD1 3.44Å; F1161-I1165 VanDerWaalsContact CE1-CD1 3.44Å; F1161-I1165 HydrophobicContact CE2-CD1 3.57Å; F1161-I1165 HydrophobicContact CE2-CG1 4.31Å; F1161-I1165 HydrophobicContact CG-CD1 4.29Å; F1161-I1165 HydrophobicContact CZ-CD1 3.24Å; F1161-I1165 HydrophobicContact CZ-CG1 4.41Å; F1161-I1165 WeakPolarHBondContact O-CG1 3.35Å; F1161-I1165 PolarHBondContact O-N 2.79Å; F1161-I1165 VanDerWaalsContact O-N 3.08Å; F1161-I1202 HydrophobicContact CE2-CG2 4.4Å; F1161-I1202 HydrophobicContact CZ-CG2 4.14Å; F1161-S1205 VanDerWaalsContact CD2-C 3.42Å; F1161-S1205 VanDerWaalsContact CD2-O 3.24Å; F1161-S1205 WeakPolarHBondContact CD2-O 3.4Å; F1161-F1206 HydrophobicContact CE1-CD2 4.12Å; F1161-F1206 HydrophobicContact CE2-CB 3.92Å; F1161-F1206 HydrophobicContact CE2-CD2 4.3Å; F1161-F1206 HydrophobicContact CZ-CB 4.25Å; F1161-F1206 AromaticContact CZ-CD2 3.91Å; F1161-F1206 HydrophobicContact CZ-CD2 3.91Å; F1161-P1207 HydrophobicContact CB-CG 4.37Å; F1161-A1239 HydrophobicContact CE1-CB 3.84Å; F1161-A1239 HydrophobicContact CZ-CB 3.9Å
1162I91.2Very high80.2Confident54 Ų5469.1 Ų69.128%0.27739%0.387SS..Hα-helixtrans-64.4-39.4177.3-67.7-60.9000111.2W1158 E1159 D1160 I1165 A1166W1158-I1162 HydrophobicContact CD2-CG1 4.15Å; W1158-I1162 HydrophobicContact CH2-CD1 3.93Å; W1158-I1162 HydrophobicContact CH2-CG1 4.45Å; W1158-I1162 HydrophobicContact CZ2-CD1 3.64Å; W1158-I1162 HydrophobicContact CZ2-CG1 3.88Å; W1158-I1162 WeakPolarHBondContact O-CG1 3.49Å; W1158-I1162 PolarHBondContact O-N 3.03Å; E1159-I1162 PolarHBondContact O-N 3.02Å; D1160-I1162 PolarHBondContact O-N 3.35Å; I1162-I1165 PolarHBondContact O-N 2.87Å; I1162-A1166 WeakPolarHBondContact O-CB 3.27Å; I1162-A1166 PolarHBondContact O-N 3.05Å
1163S86.9Confident77.5Confident72 Ų7270.5 Ų70.550%0.50339%0.393SS..Hα-helixtrans-64.5-39.5176.7-60.80000112.2E1159 D1160 F1161 A1166 A1167E1159-S1163 VanDerWaalsContact O-CB 3.29Å; E1159-S1163 WeakPolarHBondContact O-CB 3.45Å; E1159-S1163 PolarHBondContact O-N 3.43Å; E1159-S1163 PolarHBondContact O-OG 3.03Å; D1160-S1163 PolarHBondContact O-N 3.25Å; F1161-S1163 VanDerWaalsContact C-N 3.34Å; F1161-S1163 PolarHBondContact O-N 2.93Å; S1163-A1166 PolarHBondContact O-N 2.78Å; S1163-A1167 VanDerWaalsContact O-CB 3.32Å; S1163-A1167 WeakPolarHBondContact O-CB 3.24Å; S1163-A1167 PolarHBondContact O-N 3.12Å
1164K87Confident74.8Confident95 Ų9576.1 Ų76.141%0.41342%0.424SS..Hα-helixtrans-63.3-42.6174.5-75.8166.5177163.70112.1D1160 F1161 A1167 S1168D1160-K1164 WeakPolarHBondContact O-CG 3.28Å; D1160-K1164 PolarHBondContact O-N 2.7Å; D1160-K1164 WeakPolarHBondContact OD1-CE 3.4Å; D1160-K1164 IonicContact OD1-NZ 4Å; D1160-K1164 VanDerWaalsContact OD2-CE 3.31Å; D1160-K1164 WeakPolarHBondContact OD2-CE 3.34Å; D1160-K1164 IonicContact OD2-NZ 2.78Å; D1160-K1164 PolarHBondContact OD2-NZ 2.85Å; F1161-K1164 PolarHBondContact O-N 3.27Å; K1164-A1167 PolarHBondContact O-N 3.13Å; K1164-S1168 PolarHBondContact O-N 2.93Å; K1164-S1168 VanDerWaalsContact O-N 3.14Å
1165I83.3Confident71.8Confident19 Ų1983.2 Ų83.210%0.09746%0.459CS..Hα-helixtrans-63.4-47.3174.4-67.4167.2000110.1F1161 I1162 A1167 S1168 D1169 I1202 V1236F1161-I1165 HydrophobicContact CD1-CD1 3.98Å; F1161-I1165 HydrophobicContact CD2-CD1 4.07Å; F1161-I1165 HydrophobicContact CE1-CD1 3.44Å; F1161-I1165 VanDerWaalsContact CE1-CD1 3.44Å; F1161-I1165 HydrophobicContact CE2-CD1 3.57Å; F1161-I1165 HydrophobicContact CE2-CG1 4.31Å; F1161-I1165 HydrophobicContact CG-CD1 4.29Å; F1161-I1165 HydrophobicContact CZ-CD1 3.24Å; F1161-I1165 HydrophobicContact CZ-CG1 4.41Å; F1161-I1165 WeakPolarHBondContact O-CG1 3.35Å; F1161-I1165 PolarHBondContact O-N 2.79Å; F1161-I1165 VanDerWaalsContact O-N 3.08Å; I1162-I1165 PolarHBondContact O-N 2.87Å; I1165-A1167 PolarHBondContact O-N 2.85Å; I1165-S1168 PolarHBondContact O-N 3.3Å; I1165-S1168 PolarHBondContact O-OG 2.76Å; I1165-D1169 PolarHBondContact O-N 3.32Å; I1165-I1202 HydrophobicContact CD1-CD1 4.45Å; I1165-I1202 HydrophobicContact CD1-CG1 4.23Å; I1165-V1236 HydrophobicContact CD1-CG2 4.32Å; I1165-V1236 HydrophobicContact CG2-CG2 4.25Å
1166A79.7Confident68.8Low67 Ų6788.1 Ų88.155%0.55449%0.485SS*.Hα-helixtrans-63.3-37.4179.100000113.1I1162 S1163 D1169I1162-A1166 WeakPolarHBondContact O-CB 3.27Å; I1162-A1166 PolarHBondContact O-N 3.05Å; S1163-A1166 PolarHBondContact O-N 2.78Å; A1166-D1169 PolarHBondContact O-N 3.17Å
1167A76.1Confident65.7Low72 Ų7292.5 Ų92.560%0.59550%0.504SS*.Hα-helixtrans-68.6-34.3177.500000112.9S1163 K1164 I1165 D1169 T1170S1163-A1167 VanDerWaalsContact O-CB 3.32Å; S1163-A1167 WeakPolarHBondContact O-CB 3.24Å; S1163-A1167 PolarHBondContact O-N 3.12Å; K1164-A1167 PolarHBondContact O-N 3.13Å; I1165-A1167 PolarHBondContact O-N 2.85Å; A1167-D1169 PolarHBondContact O-N 3.32Å; A1167-T1170 PolarHBondContact O-OG1 3.18Å
1168S67.6Low62.7Low56 Ų5694.7 Ų94.739%0.39253%0.526SS..Hα-helixtrans-70.4-19.9175.773.60000113.3K1164 I1165 T1170 L1201K1164-S1168 PolarHBondContact O-N 2.93Å; K1164-S1168 VanDerWaalsContact O-N 3.14Å; I1165-S1168 PolarHBondContact O-N 3.3Å; I1165-S1168 PolarHBondContact O-OG 2.76Å; S1168-T1170 PolarHBondContact O-N 2.78Å; S1168-L1201 WeakPolarHBondContact OG-CD2 3.46Å
1169D59.2Low59.5Low92 Ų92100.2 Ų100.249%0.49256%0.557SS.*  trans-82.457.5174.5-149.2-7.6000110.3I1165 A1166 A1167 S1171I1165-D1169 PolarHBondContact O-N 3.32Å; A1166-D1169 PolarHBondContact O-N 3.17Å; A1167-D1169 PolarHBondContact O-N 3.32Å; D1169-S1171 PolarHBondContact O-N 3.07Å; D1169-S1171 PolarHBondContact OD1-OG 3.21Å
1170T45.3Very low56.5Low111 Ų111103.3 Ų103.368%0.68157%0.572SS**G310 helixtrans-77.431.5179.8-12.70000112.9A1167 S1168 H1172A1167-T1170 PolarHBondContact O-OG1 3.18Å; S1168-T1170 PolarHBondContact O-N 2.78Å; T1170-H1172 VanDerWaalsContact C-N 3.25Å; T1170-H1172 PolarHBondContact O-N 3.16Å
1171S47Very low53.5Low85 Ų85108.6 Ų108.659%0.59459%0.591SS**G310 helixtrans-80.2-1.5170.461.10000113.4D1169D1169-S1171 PolarHBondContact O-N 3.07Å; D1169-S1171 PolarHBondContact OD1-OG 3.21Å
1172H37.1Very low50.3Low144 Ų144115.2 Ų115.267%0.66763%0.627SS**G310 helixtrans-100.35.1-177.4-111.9-79.2000117.2T1170 L1174T1170-H1172 VanDerWaalsContact C-N 3.25Å; T1170-H1172 PolarHBondContact O-N 3.16Å; H1172-L1174 PolarHBondContact O-N 3.35Å
1173H32.9Very low47.3Very low163 Ų163121.4 Ų121.476%0.75565%0.654SS**THydrogen-bonded Turntrans-77.68173.6-146.6-65.9000114.1
1174L33.1Very low44.4Very low167 Ų167122.9 Ų122.987%0.87467%0.665SS**THydrogen-bonded Turntrans-103.810.1176.6-94.2155.4000115.1H1172H1172-L1174 PolarHBondContact O-N 3.35Å
1175M30.3Very low41.4Very low149 Ų149126.1 Ų126.173%0.73468%0.683SS**SBendtrans-117.63.1175.6-96.5-174.2124.400117.1
1176N29.2Very low38.7Very low148 Ų148131.7 Ų131.779%0.79172%0.719SS**SBendtrans-125.867.1171.5-81.2-16.5000111.6
1177N28.1Very low36.3Very low154 Ų154137.5 Ų137.582%0.82473%0.734SS**  trans-148.153.8157.7-119.8-0.1000111.7
1178T30.5Very low34.1Very low127 Ų127143.3 Ų143.378%0.77975%0.749SS**  trans-92.478.7153.446.40000108.3
1179N27.8Very low32.4Very low141 Ų141150.7 Ų150.775%0.75477%0.774SS**  trans-175119.1148.5-94.4-25000111.8
1180Q30.7Very low31.3Very low176 Ų176154.1 Ų154.182%0.82279%0.791SS**  trans94.393.9159.2-53.8-172.119.400120.2
1181K28.6Very low30.8Very low187 Ų187157.5 Ų157.581%0.81380%0.799SS**  56.6119.8119.1-69.3-178.8177.6178.10120.9
1182N25Very low30.5Very low141 Ų141162.1 Ų162.175%0.75481%0.808SS**  trans55109.5133.2-62.5-7000119
1183Q28.2Very low30.4Very low183 Ų183162.8 Ų162.886%0.85582%0.817SS**  175.4137.4106.1-94.9171.91300112.2
1184S26.8Very low30.9Very low103 Ų103161.1 Ų161.172%0.7282%0.818SS**  trans53.9110.5151.4590000121.2
1185M22.6Very low31.7Very low163 Ų163159.8 Ų159.880%0.80382%0.816SS**  32.4111.1114-64.6-71.8-70.700117.3
1186T27.9Very low33.1Very low137 Ų137159.8 Ų159.884%0.8482%0.818SS**  -173.7141.8100.322.40000109.8
1187E27.9Very low35Very low189 Ų189155.1 Ų155.188%0.88379%0.789SS**  trans-72121.8-178.6-62.4165.7144.500110.4
1188E30.7Very low37.3Very low194 Ų194151.7 Ų151.791%0.90777%0.771SS**  trans-152.2136.5146.7-114.2174.6-161.500110
1189K32.4Very low39.6Very low210 Ų210146.9 Ų146.991%0.91374%0.742SS**  trans-64.1128.1-170.5-68.1164.5172.6175.20111.8
1190I34.3Very low42.2Very low165 Ų165143.9 Ų143.985%0.84673%0.726SS**  trans-126.3124.8157.7-61.9178.5000107.7
1191E35.1Very low44.6Very low182 Ų182137.6 Ų137.685%0.8570%0.698SS**  trans-62151.9179-77.4169.6139.500112.5D1193E1191-D1193 PolarHBondContact O-N 2.88Å
1192K40.3Very low47.4Very low181 Ų181128.7 Ų128.779%0.78766%0.659SS**  trans-83.1107.8-175.1-66.3172.9176.7176.20110.4V1194K1192-V1194 PolarHBondContact O-N 3.4Å
1193D35.8Very low50.3Low159 Ų159124.3 Ų124.385%0.8563%0.632SS**  trans-68.8117.2170.3-78.8-36.7000111.5E1191E1191-D1193 PolarHBondContact O-N 2.88Å
1194V44.2Very low52.9Low128 Ų128121.7 Ų121.778%0.77662%0.624SS**  trans-86.3110162175.10000106.8K1192 I1196K1192-V1194 PolarHBondContact O-N 3.4Å; V1194-I1196 PolarHBondContact O-N 2.8Å
1195V48.7Very low55.7Low139 Ų139118.2 Ų118.284%0.84260%0.6SS**  trans-71.9112.7177.7-177.50000109.4
1196I60Low59Low148 Ų148110.8 Ų110.876%0.75956%0.563SS**  trans-77.1131.6173.9-64.8168.2000108.7V1194 D1198V1194-I1196 PolarHBondContact O-N 2.8Å; I1196-D1198 PolarHBondContact O-N 2.92Å
1197Y70.2Confident61.9Low51 Ų51106.1 Ų106.120%0.254%0.535CS..  trans-58.9121.3170.1165.4-124.2000109.5P1199 I1202 L1232 D1235Y1197-P1199 HydrophobicContact CD1-CG 4.41Å; Y1197-P1199 HydrophobicContact CE1-CB 4.34Å; Y1197-P1199 HydrophobicContact CE1-CG 4.19Å; Y1197-P1199 VanDerWaalsContact O-CD 3.28Å; Y1197-P1199 WeakPolarHBondContact O-CD 3.45Å; Y1197-I1202 HydrophobicContact CE2-CD1 4.5Å; Y1197-I1202 WeakPolarHBondContact OH-CD1 3.29Å; Y1197-L1232 HydrophobicContact CD1-CB 4.19Å; Y1197-L1232 VanDerWaalsContact CD1-N 3.31Å; Y1197-L1232 HydrophobicContact CD2-CB 3.48Å; Y1197-L1232 VanDerWaalsContact CD2-CB 3.48Å; Y1197-L1232 HydrophobicContact CD2-CD1 3.63Å; Y1197-L1232 HydrophobicContact CD2-CD2 4.45Å; Y1197-L1232 HydrophobicContact CD2-CG 4.01Å; Y1197-L1232 HydrophobicContact CE1-CB 4.32Å; Y1197-L1232 HydrophobicContact CE2-CB 3.68Å; Y1197-L1232 HydrophobicContact CE2-CD1 3.19Å; Y1197-L1232 HydrophobicContact CE2-CG 3.98Å; Y1197-L1232 HydrophobicContact CG-CB 3.76Å; Y1197-D1235 PolarHBondContact OH-OD2 2.95Å
1198D76.4Confident65Low81 Ų8197.1 Ų97.143%0.43349%0.493SS..  trans-86.9110.8171.5-179.412.6000110.3I1196 N1200 L1201I1196-D1198 PolarHBondContact O-N 2.92Å; D1198-N1200 PolarHBondContact O-N 3.26Å; D1198-N1200 VanDerWaalsContact O-N 3.16Å; D1198-N1200 VanDerWaalsContact OD1-CB 3.24Å; D1198-N1200 WeakPolarHBondContact OD1-CB 3.49Å; D1198-N1200 PolarHBondContact OD1-N 3.46Å; D1198-N1200 PolarHBondContact OD1-ND2 3.29Å; D1198-L1201 VanDerWaalsContact O-CB 3.31Å; D1198-L1201 WeakPolarHBondContact O-CB 3.41Å; D1198-L1201 PolarHBondContact O-N 3.35Å; D1198-L1201 VanDerWaalsContact O-N 3.15Å
1199P78.8Confident67.7Low27 Ų2788.8 Ų88.818%0.17546%0.455CS..THydrogen-bonded Turntrans-59.4-26176.2-25.738.4000113.4Y1197 L1201 I1202 R1203 G1229Y1197-P1199 HydrophobicContact CD1-CG 4.41Å; Y1197-P1199 HydrophobicContact CE1-CB 4.34Å; Y1197-P1199 HydrophobicContact CE1-CG 4.19Å; Y1197-P1199 VanDerWaalsContact O-CD 3.28Å; Y1197-P1199 WeakPolarHBondContact O-CD 3.45Å; P1199-L1201 PolarHBondContact O-N 2.95Å; P1199-I1202 PolarHBondContact O-N 3.42Å; P1199-R1203 VanDerWaalsContact CB-CZ 3.48Å; P1199-R1203 WeakPolarHBondContact O-CB 2.96Å; P1199-R1203 WeakPolarHBondContact O-CD 3.32Å; P1199-R1203 VanDerWaalsContact O-CG 3.24Å; P1199-R1203 WeakPolarHBondContact O-CG 3.44Å; P1199-R1203 PolarHBondContact O-N 3.36Å; P1199-R1203 VanDerWaalsContact O-N 3.16Å; P1199-G1229 WeakPolarHBondContact CG-O 3.38Å
1200N80.7Confident70.3Confident78 Ų7881.7 Ų81.742%0.41743%0.425SS..Hα-helixtrans-64.8-24.7-179-59.6-50.9000112.1D1198 I1202 N1204D1198-N1200 PolarHBondContact O-N 3.26Å; D1198-N1200 VanDerWaalsContact O-N 3.16Å; D1198-N1200 VanDerWaalsContact OD1-CB 3.24Å; D1198-N1200 WeakPolarHBondContact OD1-CB 3.49Å; D1198-N1200 PolarHBondContact OD1-N 3.46Å; D1198-N1200 PolarHBondContact OD1-ND2 3.29Å; N1200-I1202 PolarHBondContact O-N 3.05Å; N1200-N1204 WeakPolarHBondContact O-CB 3.19Å; N1200-N1204 VanDerWaalsContact O-CG 3.26Å; N1200-N1204 PolarHBondContact O-N 3.06Å; N1200-N1204 PolarHBondContact O-ND2 2.87Å
1201L82.8Confident72.8Confident43 Ų4373.9 Ų73.923%0.22539%0.385CS..Hα-helixtrans-55.4-52.7175.7178.371000111.3S1168 D1198 P1199 S1205 L1232S1168-L1201 WeakPolarHBondContact OG-CD2 3.46Å; D1198-L1201 VanDerWaalsContact O-CB 3.31Å; D1198-L1201 WeakPolarHBondContact O-CB 3.41Å; D1198-L1201 PolarHBondContact O-N 3.35Å; D1198-L1201 VanDerWaalsContact O-N 3.15Å; P1199-L1201 PolarHBondContact O-N 2.95Å; L1201-S1205 WeakPolarHBondContact O-CB 3.3Å; L1201-S1205 PolarHBondContact O-N 3.49Å; L1201-S1205 VanDerWaalsContact O-N 3.17Å; L1201-S1205 PolarHBondContact O-OG 3.19Å; L1201-L1232 HydrophobicContact CD2-CD1 4.5Å
1202I85.9Confident75.3Confident0 Ų065.5 Ų65.50%035%0.346CS..Hα-helixtrans-76.8-45.8-178.5-67.3-172.8000110.6F1161 I1165 Y1197 P1199 N1200 N1204 S1205 F1206 F1227 L1232 D1235 V1236F1161-I1202 HydrophobicContact CE2-CG2 4.4Å; F1161-I1202 HydrophobicContact CZ-CG2 4.14Å; I1165-I1202 HydrophobicContact CD1-CD1 4.45Å; I1165-I1202 HydrophobicContact CD1-CG1 4.23Å; Y1197-I1202 HydrophobicContact CE2-CD1 4.5Å; Y1197-I1202 WeakPolarHBondContact OH-CD1 3.29Å; P1199-I1202 PolarHBondContact O-N 3.42Å; N1200-I1202 PolarHBondContact O-N 3.05Å; I1202-N1204 VanDerWaalsContact C-N 3.27Å; I1202-N1204 PolarHBondContact O-N 2.88Å; I1202-S1205 PolarHBondContact O-N 3.41Å; I1202-F1206 WeakPolarHBondContact O-CB 3.49Å; I1202-F1206 PolarHBondContact O-N 2.99Å; I1202-F1227 HydrophobicContact CG2-CD1 3.72Å; I1202-F1227 HydrophobicContact CG2-CD2 3.98Å; I1202-F1227 HydrophobicContact CG2-CE1 3.79Å; I1202-F1227 HydrophobicContact CG2-CE2 4.02Å; I1202-F1227 HydrophobicContact CG2-CG 3.82Å; I1202-F1227 HydrophobicContact CG2-CZ 3.93Å; I1202-L1232 HydrophobicContact CD1-CD1 3.7Å; I1202-L1232 HydrophobicContact CG1-CD1 4.29Å; I1202-D1235 HydrophobicContact CD1-CB 3.64Å; I1202-D1235 HydrophobicContact CG2-CB 4.36Å; I1202-V1236 HydrophobicContact CD1-CB 4.4Å; I1202-V1236 HydrophobicContact CD1-CG2 3.51Å
1203R86.6Confident77.3Confident50 Ų5056.9 Ų56.919%0.18931%0.308CS..Hα-helixtrans-57.2-39-177.9-70.9174.41791621.7112.9P1199 I1223 F1227 P1228 G1229P1199-R1203 VanDerWaalsContact CB-CZ 3.48Å; P1199-R1203 WeakPolarHBondContact O-CB 2.96Å; P1199-R1203 WeakPolarHBondContact O-CD 3.32Å; P1199-R1203 VanDerWaalsContact O-CG 3.24Å; P1199-R1203 WeakPolarHBondContact O-CG 3.44Å; P1199-R1203 PolarHBondContact O-N 3.36Å; P1199-R1203 VanDerWaalsContact O-N 3.16Å; R1203-I1223 HydrophobicContact CB-CG2 3.54Å; R1203-I1223 HydrophobicContact CG-CG2 3.43Å; R1203-I1223 VanDerWaalsContact CG-CG2 3.43Å; R1203-F1227 HydrophobicContact CG-CB 3.98Å; R1203-F1227 HydrophobicContact CG-CD2 4.27Å; R1203-F1227 PolarHBondContact NE-O 2.95Å; R1203-F1227 PolarHBondContact NH2-O 3.43Å; R1203-P1228 PolarHBondContact NH2-O 3.43Å; R1203-G1229 VanDerWaalsContact NH2-CA 3.33Å
1204N83.7Confident79.4Confident127 Ų12751.9 Ų51.968%0.67929%0.294SS*.Hα-helixtrans-89.2-25.3179.4-61.9-20.4000113.2N1200 I1202N1200-N1204 WeakPolarHBondContact O-CB 3.19Å; N1200-N1204 VanDerWaalsContact O-CG 3.26Å; N1200-N1204 PolarHBondContact O-N 3.06Å; N1200-N1204 PolarHBondContact O-ND2 2.87Å; I1202-N1204 VanDerWaalsContact C-N 3.27Å; I1202-N1204 PolarHBondContact O-N 2.88Å
1205S85.6Confident81Confident31 Ų3149 Ų4922%0.21727%0.272CS..Hα-helixtrans-91.7-20.8-176.2-53.60000113.9F1161 L1201 I1202 P1207F1161-S1205 VanDerWaalsContact CD2-C 3.42Å; F1161-S1205 VanDerWaalsContact CD2-O 3.24Å; F1161-S1205 WeakPolarHBondContact CD2-O 3.4Å; L1201-S1205 WeakPolarHBondContact O-CB 3.3Å; L1201-S1205 PolarHBondContact O-N 3.49Å; L1201-S1205 VanDerWaalsContact O-N 3.17Å; L1201-S1205 PolarHBondContact O-OG 3.19Å; I1202-S1205 PolarHBondContact O-N 3.41Å; S1205-P1207 WeakPolarHBondContact O-CD 3.34Å
1206F91.7Very high82.3Confident7 Ų749.5 Ų49.53%0.03126%0.263CS..  trans-65.1115.9-177.4-176.1-111.6000110.9W1158 F1161 I1202 F1208 T1209 F1212 F1227 A1239 Y1242W1158-F1206 HydrophobicContact CZ3-CE2 4.22Å; F1161-F1206 HydrophobicContact CE1-CD2 4.12Å; F1161-F1206 HydrophobicContact CE2-CB 3.92Å; F1161-F1206 HydrophobicContact CE2-CD2 4.3Å; F1161-F1206 HydrophobicContact CZ-CB 4.25Å; F1161-F1206 AromaticContact CZ-CD2 3.91Å; F1161-F1206 HydrophobicContact CZ-CD2 3.91Å; I1202-F1206 WeakPolarHBondContact O-CB 3.49Å; I1202-F1206 PolarHBondContact O-N 2.99Å; F1206-F1208 VanDerWaalsContact C-N 3.34Å; F1206-F1208 HydrophobicContact CE1-CB 3.82Å; F1206-F1208 AromaticContact CE2-CD2 3.91Å; F1206-F1208 HydrophobicContact CE2-CD2 3.91Å; F1206-F1208 HydrophobicContact CZ-CB 3.87Å; F1206-F1208 AromaticContact CZ-CD2 3.87Å; F1206-F1208 HydrophobicContact CZ-CD2 3.87Å; F1206-F1208 HydrophobicContact CZ-CG 4.39Å; F1206-F1208 PolarHBondContact O-N 3.34Å; F1206-T1209 WeakPolarHBondContact CD1-OG1 3.48Å; F1206-T1209 PolarHBondContact O-OG1 3.38Å; F1206-T1209 VanDerWaalsContact O-OG1 3.05Å; F1206-F1212 HydrophobicContact CE1-CD2 4.04Å; F1206-F1212 HydrophobicContact CE1-CE2 4.29Å; F1206-F1212 HydrophobicContact CZ-CD2 4.31Å; F1206-F1212 HydrophobicContact CZ-CE2 4.1Å; F1206-F1227 HydrophobicContact CB-CE2 3.82Å; F1206-F1227 HydrophobicContact CB-CZ 3.99Å; F1206-F1227 AromaticContact CD1-CE2 3.8Å; F1206-F1227 HydrophobicContact CD1-CE2 3.8Å; F1206-F1227 AromaticContact CD1-CZ 3.75Å; F1206-F1227 HydrophobicContact CD1-CZ 3.75Å; F1206-F1227 AromaticContact CD2-CZ 3.97Å; F1206-F1227 HydrophobicContact CD2-CZ 3.97Å; F1206-F1227 HydrophobicContact CE1-CZ 4.2Å; F1206-F1227 HydrophobicContact CE2-CZ 4.39Å; F1206-F1227 AromaticContact CG-CE2 3.83Å; F1206-F1227 HydrophobicContact CG-CE2 3.83Å; F1206-F1227 AromaticContact CG-CZ 3.63Å; F1206-F1227 HydrophobicContact CG-CZ 3.63Å; F1206-A1239 HydrophobicContact CD2-CB 4.01Å; F1206-A1239 HydrophobicContact CE2-CB 4.02Å; F1206-Y1242 HydrophobicContact CZ-CD2 4.27Å; F1206-Y1242 HydrophobicContact CZ-CG 4.2Å
1207P88.5Confident83.1Confident38 Ų3848.4 Ų48.425%0.24726%0.263CS..THydrogen-bonded Turntrans-81.7-10.1-165.330.8-35.3000114.2R1157 F1161 S1205R1157-P1207 HydrophobicContact CB-CB 4.04Å; R1157-P1207 HydrophobicContact CB-CG 4.1Å; F1161-P1207 HydrophobicContact CB-CG 4.37Å; S1205-P1207 WeakPolarHBondContact O-CD 3.34Å
1208F91.7Very high83.5Confident1 Ų146.8 Ų46.80%0.00426%0.259CS..THydrogen-bonded Turntrans-108.212.4-172.1-47.8-62.1000113.7L1108 L1112 V1154 W1158 F1206 E1210 F1211 F1212 F1243 L1246L1108-F1208 HydrophobicContact CD1-CD1 4.23Å; L1112-F1208 HydrophobicContact CD1-CD1 4.48Å; L1112-F1208 HydrophobicContact CD1-CE1 4.18Å; L1112-F1208 HydrophobicContact CD2-CD1 4.06Å; L1112-F1208 HydrophobicContact CD2-CE1 4.26Å; V1154-F1208 HydrophobicContact CG1-CE1 3.84Å; V1154-F1208 HydrophobicContact CG1-CZ 3.77Å; V1154-F1208 WeakPolarHBondContact O-CZ 3.15Å; W1158-F1208 HydrophobicContact CB-CE2 4.25Å; W1158-F1208 HydrophobicContact CB-CZ 4.26Å; W1158-F1208 HydrophobicContact CE3-CE2 4.09Å; F1206-F1208 VanDerWaalsContact C-N 3.34Å; F1206-F1208 HydrophobicContact CE1-CB 3.82Å; F1206-F1208 AromaticContact CE2-CD2 3.91Å; F1206-F1208 HydrophobicContact CE2-CD2 3.91Å; F1206-F1208 HydrophobicContact CZ-CB 3.87Å; F1206-F1208 AromaticContact CZ-CD2 3.87Å; F1206-F1208 HydrophobicContact CZ-CD2 3.87Å; F1206-F1208 HydrophobicContact CZ-CG 4.39Å; F1206-F1208 PolarHBondContact O-N 3.34Å; F1208-E1210 VanDerWaalsContact C-N 3.32Å; F1208-E1210 PolarHBondContact O-N 3Å; F1208-F1211 PolarHBondContact O-N 3.02Å; F1208-F1211 VanDerWaalsContact O-N 3.16Å; F1208-F1212 HydrophobicContact CB-CD2 4.12Å; F1208-F1212 HydrophobicContact CB-CE2 3.92Å; F1208-F1212 VanDerWaalsContact O-CD2 3.27Å; F1208-F1212 WeakPolarHBondContact O-CD2 3.41Å; F1208-F1212 PolarHBondContact O-N 2.91Å; F1208-F1243 AromaticContact CE2-CD2 3.74Å; F1208-F1243 HydrophobicContact CE2-CD2 3.74Å; F1208-F1243 HydrophobicContact CE2-CE2 4.24Å; F1208-F1243 HydrophobicContact CZ-CD2 4.32Å; F1208-F1243 HydrophobicContact CZ-CE2 4.4Å; F1208-L1246 HydrophobicContact CB-CD1 3.86Å; F1208-L1246 HydrophobicContact CD1-CD1 3.76Å; F1208-L1246 HydrophobicContact CD2-CD1 3.55Å; F1208-L1246 HydrophobicContact CE1-CD1 4.2Å; F1208-L1246 HydrophobicContact CE2-CD1 3.99Å; F1208-L1246 HydrophobicContact CG-CD1 3.43Å; F1208-L1246 VanDerWaalsContact CG-CD1 3.43Å; F1208-L1246 HydrophobicContact CZ-CD1 4.3Å
1209T88.2Confident83.7Confident19 Ų1945.6 Ų45.612%0.11726%0.257CS..Hα-helixtrans-54.1-47.7-176.6-51.30000111.8F1206 F1211 F1212 T1213 P1218 L1226F1206-T1209 WeakPolarHBondContact CD1-OG1 3.48Å; F1206-T1209 PolarHBondContact O-OG1 3.38Å; F1206-T1209 VanDerWaalsContact O-OG1 3.05Å; T1209-F1211 VanDerWaalsContact C-N 3.3Å; T1209-F1211 PolarHBondContact O-N 3.39Å; T1209-F1212 PolarHBondContact O-N 3.47Å; T1209-T1213 HydrophobicContact CG2-CG2 4.1Å; T1209-T1213 WeakPolarHBondContact O-CG2 3.34Å; T1209-T1213 PolarHBondContact O-N 3.28Å; T1209-T1213 PolarHBondContact O-OG1 3.22Å; T1209-P1218 HydrophobicContact CG2-CG 3.55Å; T1209-L1226 HydrophobicContact CG2-CD2 4.17Å
1210E87.2Confident83.6Confident60 Ų6051 Ų5128%0.2829%0.285SS..Hα-helixtrans-61.3-35-178.9-176.6173.9171.200113T1111 F1208 G1214T1111-E1210 HydrophobicContact CG2-CB 4.41Å; T1111-E1210 HydrophobicContact CG2-CG 3.81Å; F1208-E1210 VanDerWaalsContact C-N 3.32Å; F1208-E1210 PolarHBondContact O-N 3Å; E1210-G1214 WeakPolarHBondContact O-CA 3.42Å; E1210-G1214 PolarHBondContact O-N 3.21Å
1211F87Confident83.5Confident1 Ų154.2 Ų54.20%0.00430%0.297CS..Hα-helixtrans-66.6-39.8177.5173.4-98.2000112.6E1104 R1107 L1108 T1111 F1208 T1209 Y1245 L1246 I1249E1104-F1211 WeakPolarHBondContact OE2-CZ 3.47Å; R1107-F1211 HydrophobicContact CB-CE2 4.48Å; R1107-F1211 HydrophobicContact CG-CD2 4.46Å; R1107-F1211 HydrophobicContact CG-CE2 4.42Å; R1107-F1211 VanDerWaalsContact CZ-CE2 3.43Å; R1107-F1211 PolarHBondContact NH1-O 3.4Å; L1108-F1211 HydrophobicContact CB-CD2 3.75Å; L1108-F1211 HydrophobicContact CB-CE2 3.83Å; L1108-F1211 HydrophobicContact CD1-CB 3.7Å; L1108-F1211 HydrophobicContact CD1-CD1 4.28Å; L1108-F1211 HydrophobicContact CD1-CD2 3.69Å; L1108-F1211 HydrophobicContact CD1-CE2 4.35Å; L1108-F1211 HydrophobicContact CD1-CG 3.62Å; L1108-F1211 HydrophobicContact CG-CD2 4.31Å; T1111-F1211 HydrophobicContact CG2-CB 4.49Å; F1208-F1211 PolarHBondContact O-N 3.02Å; F1208-F1211 VanDerWaalsContact O-N 3.16Å; T1209-F1211 VanDerWaalsContact C-N 3.3Å; T1209-F1211 PolarHBondContact O-N 3.39Å; F1211-Y1245 HydrophobicContact CE1-CE1 4.01Å; F1211-Y1245 HydrophobicContact CZ-CE1 4.39Å; F1211-L1246 HydrophobicContact CD1-CD2 3.69Å; F1211-L1246 HydrophobicContact CE1-CD2 3.36Å; F1211-L1246 HydrophobicContact CG-CD2 4.49Å; F1211-L1246 HydrophobicContact CZ-CD2 3.92Å; F1211-I1249 HydrophobicContact CZ-CD1 4.37Å
1212F86.6Confident83.3Confident7 Ų752.7 Ų52.73%0.03129%0.29CS..Hα-helixtrans-81.3-37-178.7-72.3-68.3000113.2W968 G976 F1206 F1208 T1209 Y1242 Y1245 L1246W968-F1212 HydrophobicContact CH2-CD1 4.25Å; W968-F1212 AromaticContact CH2-CE1 3.76Å; W968-F1212 HydrophobicContact CH2-CE1 3.76Å; W968-F1212 AromaticContact CZ3-CD1 3.89Å; W968-F1212 HydrophobicContact CZ3-CD1 3.89Å; W968-F1212 AromaticContact CZ3-CE1 3.88Å; W968-F1212 HydrophobicContact CZ3-CE1 3.88Å; G976-F1212 VanDerWaalsContact CA-O 3.24Å; G976-F1212 WeakPolarHBondContact CA-O 3.47Å; F1206-F1212 HydrophobicContact CE1-CD2 4.04Å; F1206-F1212 HydrophobicContact CE1-CE2 4.29Å; F1206-F1212 HydrophobicContact CZ-CD2 4.31Å; F1206-F1212 HydrophobicContact CZ-CE2 4.1Å; F1208-F1212 HydrophobicContact CB-CD2 4.12Å; F1208-F1212 HydrophobicContact CB-CE2 3.92Å; F1208-F1212 VanDerWaalsContact O-CD2 3.27Å; F1208-F1212 WeakPolarHBondContact O-CD2 3.41Å; F1208-F1212 PolarHBondContact O-N 2.91Å; T1209-F1212 PolarHBondContact O-N 3.47Å; F1212-Y1242 AromaticContact CD1-CD1 3.77Å; F1212-Y1242 HydrophobicContact CD1-CD1 3.77Å; F1212-Y1242 HydrophobicContact CD1-CE1 4.19Å; F1212-Y1242 AromaticContact CD2-CD1 3.96Å; F1212-Y1242 HydrophobicContact CD2-CD1 3.96Å; F1212-Y1242 HydrophobicContact CD2-CG 4.32Å; F1212-Y1242 AromaticContact CE1-CD1 3.73Å; F1212-Y1242 HydrophobicContact CE1-CD1 3.73Å; F1212-Y1242 AromaticContact CE2-CD1 3.92Å; F1212-Y1242 HydrophobicContact CE2-CD1 3.92Å; F1212-Y1242 HydrophobicContact CE2-CG 4.09Å; F1212-Y1242 AromaticContact CG-CD1 3.89Å; F1212-Y1242 HydrophobicContact CG-CD1 3.89Å; F1212-Y1242 HydrophobicContact CG-CE1 4.23Å; F1212-Y1242 AromaticContact CZ-CD1 3.79Å; F1212-Y1242 HydrophobicContact CZ-CD1 3.79Å; F1212-Y1242 HydrophobicContact CZ-CG 4.21Å; F1212-Y1242 WeakPolarHBondContact CZ-O 3.45Å; F1212-Y1245 AromaticContact CE1-CD1 3.66Å; F1212-Y1245 HydrophobicContact CE1-CD1 3.66Å; F1212-Y1245 HydrophobicContact CE1-CE1 4.18Å; F1212-Y1245 HydrophobicContact CZ-CD1 4Å; F1212-L1246 HydrophobicContact CE2-CD1 4.06Å; F1212-L1246 HydrophobicContact CE2-CG 4.18Å; F1212-L1246 HydrophobicContact CZ-CD1 4.23Å; F1212-L1246 HydrophobicContact CZ-CD2 4.18Å; F1212-L1246 HydrophobicContact CZ-CG 3.84Å
1213T82.9Confident83.1Confident0 Ų053.8 Ų53.80%030%0.295CS..Hα-helixtrans-88.6-21-179.2630000113.2G975 G976 T1209 Q1215 P1218 V1222 L1226G975-T1213 CarbonylContact C-O 3.57Å; G976-T1213 PolarHBondContact N-O 3.47Å; T1209-T1213 HydrophobicContact CG2-CG2 4.1Å; T1209-T1213 WeakPolarHBondContact O-CG2 3.34Å; T1209-T1213 PolarHBondContact O-N 3.28Å; T1209-T1213 PolarHBondContact O-OG1 3.22Å; T1213-Q1215 PolarHBondContact O-N 2.93Å; T1213-Q1215 PolarHBondContact OG1-N 3.29Å; T1213-Q1215 VanDerWaalsContact OG1-N 3.1Å; T1213-Q1215 PolarHBondContact OG1-O 3.44Å; T1213-P1218 HydrophobicContact CG2-CB 4.13Å; T1213-P1218 HydrophobicContact CG2-CG 4.22Å; T1213-V1222 HydrophobicContact CG2-CG1 3.69Å; T1213-L1226 HydrophobicContact CG2-CD1 3.72Å; T1213-L1226 HydrophobicContact CG2-CD2 3.99Å
1214G80.1Confident82.7Confident53 Ų5353.7 Ų53.755%0.54630%0.302SS..SBendtrans69.54.6-168.300000113.9E1210E1210-G1214 WeakPolarHBondContact O-CA 3.42Å; E1210-G1214 PolarHBondContact O-N 3.21Å
1215Q78.5Confident82.5Confident69 Ų6951.3 Ų51.332%0.32229%0.287SS..  trans-118.2124.9-173.9-61.6179.112.500110.2A974 T1213 T1217 P1218A974-Q1215 PolarHBondContact O-NE2 3.49Å; T1213-Q1215 PolarHBondContact O-N 2.93Å; T1213-Q1215 PolarHBondContact OG1-N 3.29Å; T1213-Q1215 VanDerWaalsContact OG1-N 3.1Å; T1213-Q1215 PolarHBondContact OG1-O 3.44Å; Q1215-T1217 VanDerWaalsContact C-N 3.3Å; Q1215-T1217 PolarHBondContact O-N 3.47Å; Q1215-P1218 HydrophobicContact CB-CB 4.17Å; Q1215-P1218 WeakPolarHBondContact O-CD 3.31Å
1216K75.9Confident82.3Confident148 Ų14849.9 Ų49.964%0.64328%0.277SS*.SBendtrans-62.5-35.4177.4-170.5171.5-173.9175.70113
1217T76.4Confident82.1Confident125 Ų12549.6 Ų49.677%0.76728%0.276SS*.SBendtrans-130.584172.853.80000108.9Q1215Q1215-T1217 VanDerWaalsContact C-N 3.3Å; Q1215-T1217 PolarHBondContact O-N 3.47Å
1218P77.9Confident81.7Confident18 Ų1850.2 Ų50.212%0.11728%0.28CS..  trans-66.4148.7179.317.3-14.9000111T1209 T1213 Q1215 V1222 I1223T1209-P1218 HydrophobicContact CG2-CG 3.55Å; T1213-P1218 HydrophobicContact CG2-CB 4.13Å; T1213-P1218 HydrophobicContact CG2-CG 4.22Å; Q1215-P1218 HydrophobicContact CB-CB 4.17Å; Q1215-P1218 WeakPolarHBondContact O-CD 3.31Å; P1218-V1222 HydrophobicContact CB-CB 4.21Å; P1218-V1222 HydrophobicContact CB-CG1 4.08Å; P1218-I1223 HydrophobicContact CB-CG1 4.03Å; P1218-I1223 HydrophobicContact CG-CD1 4.04Å; P1218-I1223 HydrophobicContact CG-CG1 3.8Å
1219S80.1Confident81Confident56 Ų5651 Ų5139%0.39229%0.288SS..  trans-62.7153.9176.670.70000110.9E1221 V1222 I1223S1219-E1221 PolarHBondContact O-N 3.18Å; S1219-E1221 VanDerWaalsContact O-N 3.09Å; S1219-V1222 PolarHBondContact O-N 2.75Å; S1219-V1222 WeakPolarHBondContact OG-CG2 3.31Å; S1219-V1222 PolarHBondContact OG-N 3.2Å; S1219-I1223 PolarHBondContact O-N 2.89Å
1220N77.9Confident80.5Confident140 Ų14057.8 Ų57.875%0.74932%0.318SS*.Hα-helixtrans-57.2-25.9176.8-77.1-20.2000112.9S1224N1220-S1224 VanDerWaalsContact O-CB 3.27Å; N1220-S1224 WeakPolarHBondContact O-CB 3.2Å; N1220-S1224 PolarHBondContact O-N 3.41Å; N1220-S1224 PolarHBondContact O-OG 3.49Å
1221E78.3Confident80Confident145 Ų14558.3 Ų58.368%0.67832%0.323SS*.Hα-helixtrans-70.1-43173.5-68.8178.2177.300112.3S1219 S1224 Q1225S1219-E1221 PolarHBondContact O-N 3.18Å; S1219-E1221 VanDerWaalsContact O-N 3.09Å; E1221-S1224 WeakPolarHBondContact CA-OG 3.44Å; E1221-S1224 PolarHBondContact O-N 3.45Å; E1221-S1224 PolarHBondContact O-OG 3.27Å; E1221-Q1225 VanDerWaalsContact O-CG 3.29Å; E1221-Q1225 WeakPolarHBondContact O-CG 3.39Å; E1221-Q1225 PolarHBondContact O-N 2.84Å
1222V79.5Confident79.7Confident12 Ų1260.3 Ų60.37%0.07333%0.334CS..Hα-helixtrans-67.8-43.3176.3175.40000109.7A974 T1213 P1218 S1219 S1224 Q1225 L1226A974-V1222 HydrophobicContact CB-CG1 3.96Å; A974-V1222 HydrophobicContact CB-CG2 3.87Å; T1213-V1222 HydrophobicContact CG2-CG1 3.69Å; P1218-V1222 HydrophobicContact CB-CB 4.21Å; P1218-V1222 HydrophobicContact CB-CG1 4.08Å; S1219-V1222 PolarHBondContact O-N 2.75Å; S1219-V1222 WeakPolarHBondContact OG-CG2 3.31Å; S1219-V1222 PolarHBondContact OG-N 3.2Å; V1222-S1224 VanDerWaalsContact C-N 3.3Å; V1222-S1224 PolarHBondContact O-N 3.04Å; V1222-Q1225 WeakPolarHBondContact O-CA 3.41Å; V1222-Q1225 WeakPolarHBondContact O-CB 3.3Å; V1222-Q1225 PolarHBondContact O-N 3.36Å; V1222-Q1225 VanDerWaalsContact O-N 3.08Å; V1222-L1226 HydrophobicContact CG1-CD1 3.8Å; V1222-L1226 WeakPolarHBondContact O-CD1 3.29Å; V1222-L1226 PolarHBondContact O-N 3Å
1223I80.4Confident79.3Confident22 Ų2263.7 Ų63.711%0.11335%0.352CS..Hα-helixtrans-61.5-39.6176.3-66.3176.5000111.3R1203 P1218 S1219 Q1225 L1226 F1227R1203-I1223 HydrophobicContact CB-CG2 3.54Å; R1203-I1223 HydrophobicContact CG-CG2 3.43Å; R1203-I1223 VanDerWaalsContact CG-CG2 3.43Å; P1218-I1223 HydrophobicContact CB-CG1 4.03Å; P1218-I1223 HydrophobicContact CG-CD1 4.04Å; P1218-I1223 HydrophobicContact CG-CG1 3.8Å; S1219-I1223 PolarHBondContact O-N 2.89Å; I1223-Q1225 VanDerWaalsContact C-N 3.29Å; I1223-Q1225 PolarHBondContact O-N 2.89Å; I1223-L1226 PolarHBondContact O-N 2.87Å; I1223-F1227 PolarHBondContact O-N 3.42Å
1224S79.3Confident79.1Confident48 Ų4868.1 Ų68.134%0.33637%0.372SS..Hα-helixtrans-70.4-24.7175.669.10000113N1220 E1221 V1222 F1227 P1228N1220-S1224 VanDerWaalsContact O-CB 3.27Å; N1220-S1224 WeakPolarHBondContact O-CB 3.2Å; N1220-S1224 PolarHBondContact O-N 3.41Å; N1220-S1224 PolarHBondContact O-OG 3.49Å; E1221-S1224 WeakPolarHBondContact CA-OG 3.44Å; E1221-S1224 PolarHBondContact O-N 3.45Å; E1221-S1224 PolarHBondContact O-OG 3.27Å; V1222-S1224 VanDerWaalsContact C-N 3.3Å; V1222-S1224 PolarHBondContact O-N 3.04Å; S1224-F1227 CarbonylContact O-C 3.58Å; S1224-F1227 VanDerWaalsContact O-C 3.27Å; S1224-P1228 VanDerWaalsContact O-CA 3.26Å; S1224-P1228 WeakPolarHBondContact O-CA 3.45Å
1225Q79.1Confident79.3Confident78 Ų7865.6 Ų65.636%0.36435%0.346SS..Hα-helixtrans-71.5-36.1168.2-70.3170.414.300112.5E1221 V1222 I1223E1221-Q1225 VanDerWaalsContact O-CG 3.29Å; E1221-Q1225 WeakPolarHBondContact O-CG 3.39Å; E1221-Q1225 PolarHBondContact O-N 2.84Å; V1222-Q1225 WeakPolarHBondContact O-CA 3.41Å; V1222-Q1225 WeakPolarHBondContact O-CB 3.3Å; V1222-Q1225 PolarHBondContact O-N 3.36Å; V1222-Q1225 VanDerWaalsContact O-N 3.08Å; I1223-Q1225 VanDerWaalsContact C-N 3.29Å; I1223-Q1225 PolarHBondContact O-N 2.89Å
1226L81.2Confident79.6Confident0 Ų063.5 Ų63.50%034%0.338CS..Hα-helixtrans-68.6-44.2175.1-87.379.5000111.7L971 T1209 T1213 V1222 I1223L971-L1226 HydrophobicContact CD2-CD1 3.47Å; L971-L1226 VanDerWaalsContact CD2-CD1 3.47Å; L971-L1226 HydrophobicContact CD2-CG 3.88Å; T1209-L1226 HydrophobicContact CG2-CD2 4.17Å; T1213-L1226 HydrophobicContact CG2-CD1 3.72Å; T1213-L1226 HydrophobicContact CG2-CD2 3.99Å; V1222-L1226 HydrophobicContact CG1-CD1 3.8Å; V1222-L1226 WeakPolarHBondContact O-CD1 3.29Å; V1222-L1226 PolarHBondContact O-N 3Å; I1223-L1226 PolarHBondContact O-N 2.87Å
1227F86.9Confident79.9Confident2 Ų257.8 Ų57.81%0.00932%0.318CS..  trans-133.594.9-177.8-58.9-63.4000109.4I1202 R1203 F1206 I1223 S1224 G1229 D1235 L1238 A1239 Y1242I1202-F1227 HydrophobicContact CG2-CD1 3.72Å; I1202-F1227 HydrophobicContact CG2-CD2 3.98Å; I1202-F1227 HydrophobicContact CG2-CE1 3.79Å; I1202-F1227 HydrophobicContact CG2-CE2 4.02Å; I1202-F1227 HydrophobicContact CG2-CG 3.82Å; I1202-F1227 HydrophobicContact CG2-CZ 3.93Å; R1203-F1227 HydrophobicContact CG-CB 3.98Å; R1203-F1227 HydrophobicContact CG-CD2 4.27Å; R1203-F1227 PolarHBondContact NE-O 2.95Å; R1203-F1227 PolarHBondContact NH2-O 3.43Å; F1206-F1227 HydrophobicContact CB-CE2 3.82Å; F1206-F1227 HydrophobicContact CB-CZ 3.99Å; F1206-F1227 AromaticContact CD1-CE2 3.8Å; F1206-F1227 HydrophobicContact CD1-CE2 3.8Å; F1206-F1227 AromaticContact CD1-CZ 3.75Å; F1206-F1227 HydrophobicContact CD1-CZ 3.75Å; F1206-F1227 AromaticContact CD2-CZ 3.97Å; F1206-F1227 HydrophobicContact CD2-CZ 3.97Å; F1206-F1227 HydrophobicContact CE1-CZ 4.2Å; F1206-F1227 HydrophobicContact CE2-CZ 4.39Å; F1206-F1227 AromaticContact CG-CE2 3.83Å; F1206-F1227 HydrophobicContact CG-CE2 3.83Å; F1206-F1227 AromaticContact CG-CZ 3.63Å; F1206-F1227 HydrophobicContact CG-CZ 3.63Å; I1223-F1227 PolarHBondContact O-N 3.42Å; S1224-F1227 CarbonylContact O-C 3.58Å; S1224-F1227 VanDerWaalsContact O-C 3.27Å; F1227-G1229 PolarHBondContact O-N 2.77Å; F1227-D1235 WeakPolarHBondContact CA-OD1 3.37Å; F1227-D1235 HydrophobicContact CB-CB 4.34Å; F1227-D1235 HydrophobicContact CD1-CB 4.02Å; F1227-D1235 WeakPolarHBondContact CE1-O 3.4Å; F1227-L1238 HydrophobicContact CD1-CB 4.34Å; F1227-L1238 HydrophobicContact CE1-CB 4.25Å; F1227-A1239 HydrophobicContact CE1-CB 3.84Å; F1227-A1239 HydrophobicContact CZ-CB 4.16Å; F1227-Y1242 HydrophobicContact CE1-CD2 4.36Å; F1227-Y1242 HydrophobicContact CE1-CE2 4.29Å; F1227-Y1242 HydrophobicContact CZ-CD2 4.33Å; F1227-Y1242 HydrophobicContact CZ-CE2 4.39Å
1228P81.4Confident80.3Confident51 Ų5152.8 Ų52.833%0.33129%0.287SS..  trans-50.2-24.9-179.3-30.335.4000114.8R1203 S1224 Q1230 D1235 L1238R1203-P1228 PolarHBondContact NH2-O 3.43Å; S1224-P1228 VanDerWaalsContact O-CA 3.26Å; S1224-P1228 WeakPolarHBondContact O-CA 3.45Å; P1228-Q1230 HydrophobicContact CB-CG 4.06Å; P1228-Q1230 PolarHBondContact O-N 2.78Å; P1228-D1235 WeakPolarHBondContact CD-OD1 3.48Å; P1228-L1238 HydrophobicContact CG-CD1 4.44Å
1229G77.2Confident80.9Confident17 Ų1751.9 Ų51.918%0.17528%0.281CS..SBendtrans74.511.2177.800000113.7P1199 R1203 F1227 D1235P1199-G1229 WeakPolarHBondContact CG-O 3.38Å; R1203-G1229 VanDerWaalsContact NH2-CA 3.33Å; F1227-G1229 PolarHBondContact O-N 2.77Å; G1229-D1235 WeakPolarHBondContact CA-OD2 3.35Å; G1229-D1235 PolarHBondContact N-OD1 3.41Å; G1229-D1235 PolarHBondContact N-OD2 3.21Å
1230Q76.2Confident81.2Confident161 Ų16152.7 Ų52.775%0.75228%0.279SS*.SBendtrans-80.4-35.6-177.1-62.1-17814.400111.3P1228P1228-Q1230 HydrophobicContact CB-CG 4.06Å; P1228-Q1230 PolarHBondContact O-N 2.78Å
1231N76.6Confident81.6Confident71 Ų7146.2 Ų46.238%0.3824%0.244SC..  trans-151.3129.3-176.5-175.7-11.5000110.3L1233 E1234 D1235N1231-L1233 PolarHBondContact O-N 3.3Å; N1231-L1233 PolarHBondContact OD1-N 3.08Å; N1231-E1234 HydrophobicContact CB-CB 4.31Å; N1231-E1234 HydrophobicContact CB-CG 4.23Å; N1231-E1234 PolarHBondContact O-N 3.04Å; N1231-E1234 VanDerWaalsContact O-N 3.16Å; N1231-D1235 PolarHBondContact O-N 3.24Å; N1231-D1235 VanDerWaalsContact O-N 3.14Å
1232L81.1Confident82.1Confident44 Ų4439.3 Ų39.323%0.2321%0.212CC..Hα-helixtrans-48.6-45.3174.617963.5000111.3Y1197 L1201 I1202 E1234 D1235 V1236Y1197-L1232 HydrophobicContact CD1-CB 4.19Å; Y1197-L1232 VanDerWaalsContact CD1-N 3.31Å; Y1197-L1232 HydrophobicContact CD2-CB 3.48Å; Y1197-L1232 VanDerWaalsContact CD2-CB 3.48Å; Y1197-L1232 HydrophobicContact CD2-CD1 3.63Å; Y1197-L1232 HydrophobicContact CD2-CD2 4.45Å; Y1197-L1232 HydrophobicContact CD2-CG 4.01Å; Y1197-L1232 HydrophobicContact CE1-CB 4.32Å; Y1197-L1232 HydrophobicContact CE2-CB 3.68Å; Y1197-L1232 HydrophobicContact CE2-CD1 3.19Å; Y1197-L1232 HydrophobicContact CE2-CG 3.98Å; Y1197-L1232 HydrophobicContact CG-CB 3.76Å; L1201-L1232 HydrophobicContact CD2-CD1 4.5Å; I1202-L1232 HydrophobicContact CD1-CD1 3.7Å; I1202-L1232 HydrophobicContact CG1-CD1 4.29Å; L1232-E1234 PolarHBondContact O-N 3.18Å; L1232-D1235 PolarHBondContact O-N 2.9Å; L1232-V1236 HydrophobicContact CD1-CG2 3.96Å; L1232-V1236 HydrophobicContact CG-CG2 4.22Å; L1232-V1236 WeakPolarHBondContact O-CB 3.44Å; L1232-V1236 WeakPolarHBondContact O-CG2 3.26Å; L1232-V1236 PolarHBondContact O-N 2.9Å
1233L78.6Confident82.7Confident78 Ų7839.8 Ų39.841%0.40821%0.214SC..Hα-helixtrans-66.5-36.9-174.6-174.366.1000113.1R880 N1231 A1237R880-L1233 HydrophobicContact CB-CD2 4.36Å; R880-L1233 HydrophobicContact CG-CD2 4.12Å; N1231-L1233 PolarHBondContact O-N 3.3Å; N1231-L1233 PolarHBondContact OD1-N 3.08Å; L1233-A1237 VanDerWaalsContact O-CB 3.25Å; L1233-A1237 WeakPolarHBondContact O-CB 3.47Å; L1233-A1237 PolarHBondContact O-N 3.33Å
1234E79Confident83Confident92 Ų9244.9 Ų44.943%0.4323%0.231SC..Hα-helixtrans-72.2-44.1178.6-72.1-177.9-179.400111N1231 L1232 A1237 L1238N1231-E1234 HydrophobicContact CB-CB 4.31Å; N1231-E1234 HydrophobicContact CB-CG 4.23Å; N1231-E1234 PolarHBondContact O-N 3.04Å; N1231-E1234 VanDerWaalsContact O-N 3.16Å; L1232-E1234 PolarHBondContact O-N 3.18Å; E1234-A1237 CarbonylContact O-C 3.37Å; E1234-A1237 PolarHBondContact O-N 3.34Å; E1234-A1237 VanDerWaalsContact O-N 3.11Å; E1234-L1238 PolarHBondContact O-N 2.98Å
1235D83.7Confident83.4Confident0 Ų044.2 Ų44.20%022%0.222CC..Hα-helixtrans-64.9-40.1176.8-74.3-17.6000111.2Y1197 I1202 F1227 P1228 G1229 N1231 L1232 A1237 L1238 A1239Y1197-D1235 PolarHBondContact OH-OD2 2.95Å; I1202-D1235 HydrophobicContact CD1-CB 3.64Å; I1202-D1235 HydrophobicContact CG2-CB 4.36Å; F1227-D1235 WeakPolarHBondContact CA-OD1 3.37Å; F1227-D1235 HydrophobicContact CB-CB 4.34Å; F1227-D1235 HydrophobicContact CD1-CB 4.02Å; F1227-D1235 WeakPolarHBondContact CE1-O 3.4Å; P1228-D1235 WeakPolarHBondContact CD-OD1 3.48Å; G1229-D1235 WeakPolarHBondContact CA-OD2 3.35Å; G1229-D1235 PolarHBondContact N-OD1 3.41Å; G1229-D1235 PolarHBondContact N-OD2 3.21Å; N1231-D1235 PolarHBondContact O-N 3.24Å; N1231-D1235 VanDerWaalsContact O-N 3.14Å; L1232-D1235 PolarHBondContact O-N 2.9Å; D1235-A1237 VanDerWaalsContact C-N 3.35Å; D1235-L1238 PolarHBondContact O-N 3.2Å; D1235-A1239 WeakPolarHBondContact O-CB 3.47Å; D1235-A1239 PolarHBondContact O-N 3.32Å
1236V85Confident83.9Confident25 Ų2540.5 Ų40.515%0.15220%0.204CC..Hα-helixtrans-60.7-44.3170.2171.30000110.4I1165 I1202 L1232 A1239 H1240I1165-V1236 HydrophobicContact CD1-CG2 4.32Å; I1165-V1236 HydrophobicContact CG2-CG2 4.25Å; I1202-V1236 HydrophobicContact CD1-CB 4.4Å; I1202-V1236 HydrophobicContact CD1-CG2 3.51Å; L1232-V1236 HydrophobicContact CD1-CG2 3.96Å; L1232-V1236 HydrophobicContact CG-CG2 4.22Å; L1232-V1236 WeakPolarHBondContact O-CB 3.44Å; L1232-V1236 WeakPolarHBondContact O-CG2 3.26Å; L1232-V1236 PolarHBondContact O-N 2.9Å; V1236-A1239 WeakPolarHBondContact O-CB 3.27Å; V1236-A1239 PolarHBondContact O-N 3.34Å; V1236-H1240 WeakPolarHBondContact CG1-CE1 3.48Å; V1236-H1240 WeakPolarHBondContact CG1-ND1 3.47Å; V1236-H1240 PolarHBondContact O-N 2.85Å; V1236-H1240 PolarHBondContact O-ND1 2.9Å
1237A81.6Confident84.4Confident28 Ų2844.3 Ų44.323%0.23122%0.222CC..Hα-helixtrans-66.8-36.3-179.500000112.8L964 L1233 E1234 D1235 H1240 A1241L964-A1237 HydrophobicContact CD1-CB 3.71Å; L1233-A1237 VanDerWaalsContact O-CB 3.25Å; L1233-A1237 WeakPolarHBondContact O-CB 3.47Å; L1233-A1237 PolarHBondContact O-N 3.33Å; E1234-A1237 CarbonylContact O-C 3.37Å; E1234-A1237 PolarHBondContact O-N 3.34Å; E1234-A1237 VanDerWaalsContact O-N 3.11Å; D1235-A1237 VanDerWaalsContact C-N 3.35Å; A1237-H1240 PolarHBondContact O-N 2.83Å; A1237-A1241 PolarHBondContact O-N 3.11Å
1238L86.4Confident84.5Confident20 Ų2046 Ų4611%0.10523%0.234CC..Hα-helixtrans-64.1-45.8169.9-81.2166.8000111.1F1227 P1228 E1234 D1235 H1240 A1241 Y1242F1227-L1238 HydrophobicContact CD1-CB 4.34Å; F1227-L1238 HydrophobicContact CE1-CB 4.25Å; P1228-L1238 HydrophobicContact CG-CD1 4.44Å; E1234-L1238 PolarHBondContact O-N 2.98Å; D1235-L1238 PolarHBondContact O-N 3.2Å; L1238-H1240 VanDerWaalsContact C-N 3.26Å; L1238-H1240 PolarHBondContact O-N 3.48Å; L1238-A1241 WeakPolarHBondContact O-CA 3.36Å; L1238-A1241 WeakPolarHBondContact O-CB 3.42Å; L1238-A1241 PolarHBondContact O-N 3.49Å; L1238-Y1242 HydrophobicContact CB-CE2 4.32Å; L1238-Y1242 WeakPolarHBondContact O-CD2 3.34Å; L1238-Y1242 PolarHBondContact O-N 3.05Å
1239A88.8Confident84.9Confident0 Ų043.7 Ų43.70%022%0.219CC..Hα-helixtrans-56.9-41.9175.100000111.3W1158 F1161 F1206 F1227 D1235 V1236 A1241 Y1242 F1243W1158-A1239 HydrophobicContact CH2-CB 4.38Å; W1158-A1239 HydrophobicContact CZ3-CB 4.32Å; F1161-A1239 HydrophobicContact CE1-CB 3.84Å; F1161-A1239 HydrophobicContact CZ-CB 3.9Å; F1206-A1239 HydrophobicContact CD2-CB 4.01Å; F1206-A1239 HydrophobicContact CE2-CB 4.02Å; F1227-A1239 HydrophobicContact CE1-CB 3.84Å; F1227-A1239 HydrophobicContact CZ-CB 4.16Å; D1235-A1239 WeakPolarHBondContact O-CB 3.47Å; D1235-A1239 PolarHBondContact O-N 3.32Å; V1236-A1239 WeakPolarHBondContact O-CB 3.27Å; V1236-A1239 PolarHBondContact O-N 3.34Å; A1239-A1241 VanDerWaalsContact C-N 3.34Å; A1239-A1241 PolarHBondContact O-N 3.06Å; A1239-Y1242 PolarHBondContact O-N 2.9Å; A1239-F1243 WeakPolarHBondContact O-CB 3.34Å; A1239-F1243 PolarHBondContact O-N 3.45Å
1240H88.2Confident85.7Confident72 Ų7243 Ų4333%0.33321%0.211SC..Hα-helixtrans-66-33.1173.2-76.681.3000113W1158 V1236 A1237 L1238 R1244W1158-H1240 HydrophobicContact CH2-CB 4.45Å; W1158-H1240 AromaticContact CH2-CG 3.93Å; W1158-H1240 AromaticContact CH2-ND1 3.99Å; W1158-H1240 AromaticContact CZ2-CD2 3.62Å; W1158-H1240 AromaticContact CZ2-CG 3.94Å; W1158-H1240 AromaticContact CZ2-NE2 3.71Å; V1236-H1240 WeakPolarHBondContact CG1-CE1 3.48Å; V1236-H1240 WeakPolarHBondContact CG1-ND1 3.47Å; V1236-H1240 PolarHBondContact O-N 2.85Å; V1236-H1240 PolarHBondContact O-ND1 2.9Å; A1237-H1240 PolarHBondContact O-N 2.83Å; L1238-H1240 VanDerWaalsContact C-N 3.26Å; L1238-H1240 PolarHBondContact O-N 3.48Å; H1240-R1244 VanDerWaalsContact O-CB 3.24Å; H1240-R1244 WeakPolarHBondContact O-CB 3.46Å; H1240-R1244 PolarHBondContact O-N 2.88Å
1241A84.4Confident86.4Confident4 Ų437.7 Ų37.73%0.03319%0.19CC..Hα-helixtrans-69.8-43.5176.600000112L964 P966 A1237 L1238 A1239 R1244 Y1245L964-A1241 WeakPolarHBondContact O-CB 3.4Å; P966-A1241 HydrophobicContact CG-CB 4.1Å; A1237-A1241 PolarHBondContact O-N 3.11Å; L1238-A1241 WeakPolarHBondContact O-CA 3.36Å; L1238-A1241 WeakPolarHBondContact O-CB 3.42Å; L1238-A1241 PolarHBondContact O-N 3.49Å; A1239-A1241 VanDerWaalsContact C-N 3.34Å; A1239-A1241 PolarHBondContact O-N 3.06Å; A1241-R1244 PolarHBondContact O-N 3.09Å; A1241-Y1245 PolarHBondContact O-N 3.01Å
1242Y89.6Confident87Confident0 Ų035.7 Ų35.70%018%0.178CC..Hα-helixtrans-58.8-48.1170.1-71.4-62.3000111.5P966 P967 L971 F1206 F1212 F1227 L1238 A1239 R1244 Y1245 L1246P966-Y1242 HydrophobicContact CB-CD1 3.85Å; P966-Y1242 HydrophobicContact CB-CE1 3.5Å; P966-Y1242 HydrophobicContact CG-CD1 3.91Å; P966-Y1242 HydrophobicContact CG-CE1 4.09Å; P966-Y1242 HydrophobicContact CG-CG 4.46Å; P967-Y1242 WeakPolarHBondContact CD-OH 3.23Å; L971-Y1242 HydrophobicContact CD1-CE1 3.65Å; F1206-Y1242 HydrophobicContact CZ-CD2 4.27Å; F1206-Y1242 HydrophobicContact CZ-CG 4.2Å; F1212-Y1242 AromaticContact CD1-CD1 3.77Å; F1212-Y1242 HydrophobicContact CD1-CD1 3.77Å; F1212-Y1242 HydrophobicContact CD1-CE1 4.19Å; F1212-Y1242 AromaticContact CD2-CD1 3.96Å; F1212-Y1242 HydrophobicContact CD2-CD1 3.96Å; F1212-Y1242 HydrophobicContact CD2-CG 4.32Å; F1212-Y1242 AromaticContact CE1-CD1 3.73Å; F1212-Y1242 HydrophobicContact CE1-CD1 3.73Å; F1212-Y1242 AromaticContact CE2-CD1 3.92Å; F1212-Y1242 HydrophobicContact CE2-CD1 3.92Å; F1212-Y1242 HydrophobicContact CE2-CG 4.09Å; F1212-Y1242 AromaticContact CG-CD1 3.89Å; F1212-Y1242 HydrophobicContact CG-CD1 3.89Å; F1212-Y1242 HydrophobicContact CG-CE1 4.23Å; F1212-Y1242 AromaticContact CZ-CD1 3.79Å; F1212-Y1242 HydrophobicContact CZ-CD1 3.79Å; F1212-Y1242 HydrophobicContact CZ-CG 4.21Å; F1212-Y1242 WeakPolarHBondContact CZ-O 3.45Å; F1227-Y1242 HydrophobicContact CE1-CD2 4.36Å; F1227-Y1242 HydrophobicContact CE1-CE2 4.29Å; F1227-Y1242 HydrophobicContact CZ-CD2 4.33Å; F1227-Y1242 HydrophobicContact CZ-CE2 4.39Å; L1238-Y1242 HydrophobicContact CB-CE2 4.32Å; L1238-Y1242 WeakPolarHBondContact O-CD2 3.34Å; L1238-Y1242 PolarHBondContact O-N 3.05Å; A1239-Y1242 PolarHBondContact O-N 2.9Å; Y1242-R1244 VanDerWaalsContact C-N 3.33Å; Y1242-R1244 PolarHBondContact O-N 3.03Å; Y1242-Y1245 WeakPolarHBondContact O-CB 3.47Å; Y1242-Y1245 PolarHBondContact O-N 3.06Å; Y1242-L1246 PolarHBondContact O-N 3.4Å
1243F92.4Very high87.6Confident23 Ų2333.6 Ų33.610%0.10117%0.167CC..Hα-helixtrans-64.5-36.5177.2-175.1-103.4000112.3Y1150 V1154 W1158 F1208 A1239 Y1245 L1246 H1247Y1150-F1243 HydrophobicContact CE2-CZ 4.32Å; V1154-F1243 HydrophobicContact CG1-CE2 4.15Å; W1158-F1243 HydrophobicContact CB-CD2 3.88Å; W1158-F1243 HydrophobicContact CB-CE2 3.4Å; W1158-F1243 HydrophobicContact CB-CZ 3.86Å; W1158-F1243 AromaticContact CD1-CE1 3.6Å; W1158-F1243 AromaticContact CD1-CE2 3.85Å; W1158-F1243 AromaticContact CD1-CZ 3.49Å; W1158-F1243 VanDerWaalsContact CD1-CZ 3.49Å; W1158-F1243 HydrophobicContact CD2-CB 4.03Å; W1158-F1243 AromaticContact CD2-CD1 3.81Å; W1158-F1243 HydrophobicContact CD2-CD1 3.81Å; W1158-F1243 AromaticContact CD2-CD2 3.46Å; W1158-F1243 HydrophobicContact CD2-CD2 3.46Å; W1158-F1243 VanDerWaalsContact CD2-CD2 3.46Å; W1158-F1243 HydrophobicContact CD2-CE1 4.12Å; W1158-F1243 AromaticContact CD2-CE2 3.79Å; W1158-F1243 HydrophobicContact CD2-CE2 3.79Å; W1158-F1243 AromaticContact CD2-CG 3.46Å; W1158-F1243 HydrophobicContact CD2-CG 3.46Å; W1158-F1243 VanDerWaalsContact CD2-CG 3.46Å; W1158-F1243 HydrophobicContact CD2-CZ 4.11Å; W1158-F1243 AromaticContact CE2-CD1 3.54Å; W1158-F1243 AromaticContact CE2-CE1 3.93Å; W1158-F1243 AromaticContact CE2-CG 3.63Å; W1158-F1243 HydrophobicContact CE3-CB 3.76Å; W1158-F1243 HydrophobicContact CE3-CD1 4.42Å; W1158-F1243 AromaticContact CE3-CD2 3.63Å; W1158-F1243 HydrophobicContact CE3-CD2 3.63Å; W1158-F1243 HydrophobicContact CE3-CE2 4.34Å; W1158-F1243 AromaticContact CE3-CG 3.66Å; W1158-F1243 HydrophobicContact CE3-CG 3.66Å; W1158-F1243 HydrophobicContact CG-CD1 4.09Å; W1158-F1243 AromaticContact CG-CD2 3.59Å; W1158-F1243 HydrophobicContact CG-CD2 3.59Å; W1158-F1243 AromaticContact CG-CE1 3.9Å; W1158-F1243 HydrophobicContact CG-CE1 3.9Å; W1158-F1243 AromaticContact CG-CE2 3.36Å; W1158-F1243 HydrophobicContact CG-CE2 3.36Å; W1158-F1243 AromaticContact CG-CG 3.95Å; W1158-F1243 HydrophobicContact CG-CG 3.95Å; W1158-F1243 AromaticContact CG-CZ 3.52Å; W1158-F1243 HydrophobicContact CG-CZ 3.52Å; W1158-F1243 HydrophobicContact CH2-CB 3.7Å; W1158-F1243 HydrophobicContact CH2-CG 4.15Å; W1158-F1243 HydrophobicContact CZ2-CB 3.97Å; W1158-F1243 AromaticContact CZ2-CD1 3.93Å; W1158-F1243 HydrophobicContact CZ2-CD1 3.93Å; W1158-F1243 AromaticContact CZ2-CG 3.97Å; W1158-F1243 HydrophobicContact CZ2-CG 3.97Å; W1158-F1243 HydrophobicContact CZ3-CB 3.59Å; W1158-F1243 HydrophobicContact CZ3-CD2 4.36Å; W1158-F1243 HydrophobicContact CZ3-CG 4Å; W1158-F1243 AromaticContact NE1-CD1 3.69Å; W1158-F1243 AromaticContact NE1-CE1 3.6Å; W1158-F1243 AromaticContact NE1-CZ 4Å; F1208-F1243 AromaticContact CE2-CD2 3.74Å; F1208-F1243 HydrophobicContact CE2-CD2 3.74Å; F1208-F1243 HydrophobicContact CE2-CE2 4.24Å; F1208-F1243 HydrophobicContact CZ-CD2 4.32Å; F1208-F1243 HydrophobicContact CZ-CE2 4.4Å; A1239-F1243 WeakPolarHBondContact O-CB 3.34Å; A1239-F1243 PolarHBondContact O-N 3.45Å; F1243-Y1245 VanDerWaalsContact C-N 3.29Å; F1243-Y1245 PolarHBondContact O-N 3.33Å; F1243-L1246 WeakPolarHBondContact O-CB 3.2Å; F1243-L1246 PolarHBondContact O-N 3.17Å; F1243-H1247 HydrophobicContact CE1-CB 4.44Å; F1243-H1247 VanDerWaalsContact O-CB 3.29Å; F1243-H1247 WeakPolarHBondContact O-CB 3.45Å; F1243-H1247 PolarHBondContact O-N 3.12Å
1244R86.4Confident88.2Confident128 Ų12833.5 Ų33.548%0.48317%0.167SC..Hα-helixtrans-61.7-38.3174.3-171.4-176.2-57.6110.36.6111.7H1240 A1241 Y1242 S1248H1240-R1244 VanDerWaalsContact O-CB 3.24Å; H1240-R1244 WeakPolarHBondContact O-CB 3.46Å; H1240-R1244 PolarHBondContact O-N 2.88Å; A1241-R1244 PolarHBondContact O-N 3.09Å; Y1242-R1244 VanDerWaalsContact C-N 3.33Å; Y1242-R1244 PolarHBondContact O-N 3.03Å; R1244-S1248 WeakPolarHBondContact O-CB 3.41Å; R1244-S1248 PolarHBondContact O-N 3.43Å
1245Y87.2Confident88.6Confident35 Ų3532 Ų3214%0.13716%0.16CC..Hα-helixtrans-62.3-49.8172.3170.9-100.1000111.3W968 P979 F1211 F1212 A1241 Y1242 F1243 H1247 S1248 I1249W968-Y1245 AromaticContact CH2-CD1 3.64Å; W968-Y1245 HydrophobicContact CH2-CD1 3.64Å; W968-Y1245 AromaticContact CH2-CD2 3.93Å; W968-Y1245 HydrophobicContact CH2-CD2 3.93Å; W968-Y1245 HydrophobicContact CH2-CE1 4.07Å; W968-Y1245 HydrophobicContact CH2-CE2 4.37Å; W968-Y1245 AromaticContact CH2-CG 3.54Å; W968-Y1245 HydrophobicContact CH2-CG 3.54Å; W968-Y1245 HydrophobicContact CZ2-CD1 4.37Å; W968-Y1245 AromaticContact CZ2-CD2 3.89Å; W968-Y1245 HydrophobicContact CZ2-CD2 3.89Å; W968-Y1245 AromaticContact CZ2-CG 3.81Å; W968-Y1245 HydrophobicContact CZ2-CG 3.81Å; P979-Y1245 HydrophobicContact CB-CD2 4.46Å; P979-Y1245 HydrophobicContact CB-CE2 3.42Å; P979-Y1245 VanDerWaalsContact CB-CE2 3.42Å; P979-Y1245 VanDerWaalsContact CB-OH 3.22Å; P979-Y1245 WeakPolarHBondContact CB-OH 3.32Å; P979-Y1245 HydrophobicContact CG-CD2 4.1Å; P979-Y1245 HydrophobicContact CG-CE1 4.15Å; P979-Y1245 HydrophobicContact CG-CE2 3.38Å; P979-Y1245 VanDerWaalsContact CG-CZ 3.4Å; P979-Y1245 WeakPolarHBondContact CG-OH 3.2Å; F1211-Y1245 HydrophobicContact CE1-CE1 4.01Å; F1211-Y1245 HydrophobicContact CZ-CE1 4.39Å; F1212-Y1245 AromaticContact CE1-CD1 3.66Å; F1212-Y1245 HydrophobicContact CE1-CD1 3.66Å; F1212-Y1245 HydrophobicContact CE1-CE1 4.18Å; F1212-Y1245 HydrophobicContact CZ-CD1 4Å; A1241-Y1245 PolarHBondContact O-N 3.01Å; Y1242-Y1245 WeakPolarHBondContact O-CB 3.47Å; Y1242-Y1245 PolarHBondContact O-N 3.06Å; F1243-Y1245 VanDerWaalsContact C-N 3.29Å; F1243-Y1245 PolarHBondContact O-N 3.33Å; Y1245-H1247 PolarHBondContact O-N 3Å; Y1245-S1248 WeakPolarHBondContact O-CB 3.3Å; Y1245-S1248 PolarHBondContact O-N 3.44Å; Y1245-S1248 VanDerWaalsContact O-N 3.13Å; Y1245-S1248 PolarHBondContact O-OG 2.93Å; Y1245-I1249 HydrophobicContact CD1-CD1 4.39Å; Y1245-I1249 HydrophobicContact CE1-CD1 3.71Å; Y1245-I1249 HydrophobicContact CE1-CG1 4.45Å; Y1245-I1249 PolarHBondContact O-N 2.85Å
1246L90.8Very high89Confident0 Ų032 Ų320%016%0.16CC..Hα-helixtrans-56.6-49.8175.3-71.7178.1000111.5L1108 F1208 F1211 F1212 Y1242 F1243 S1248 I1249 F1250L1108-L1246 HydrophobicContact CD1-CD2 4.27Å; L1108-L1246 HydrophobicContact CD2-CD2 3.89Å; F1208-L1246 HydrophobicContact CB-CD1 3.86Å; F1208-L1246 HydrophobicContact CD1-CD1 3.76Å; F1208-L1246 HydrophobicContact CD2-CD1 3.55Å; F1208-L1246 HydrophobicContact CE1-CD1 4.2Å; F1208-L1246 HydrophobicContact CE2-CD1 3.99Å; F1208-L1246 HydrophobicContact CG-CD1 3.43Å; F1208-L1246 VanDerWaalsContact CG-CD1 3.43Å; F1208-L1246 HydrophobicContact CZ-CD1 4.3Å; F1211-L1246 HydrophobicContact CD1-CD2 3.69Å; F1211-L1246 HydrophobicContact CE1-CD2 3.36Å; F1211-L1246 HydrophobicContact CG-CD2 4.49Å; F1211-L1246 HydrophobicContact CZ-CD2 3.92Å; F1212-L1246 HydrophobicContact CE2-CD1 4.06Å; F1212-L1246 HydrophobicContact CE2-CG 4.18Å; F1212-L1246 HydrophobicContact CZ-CD1 4.23Å; F1212-L1246 HydrophobicContact CZ-CD2 4.18Å; F1212-L1246 HydrophobicContact CZ-CG 3.84Å; Y1242-L1246 PolarHBondContact O-N 3.4Å; F1243-L1246 WeakPolarHBondContact O-CB 3.2Å; F1243-L1246 PolarHBondContact O-N 3.17Å; L1246-S1248 VanDerWaalsContact C-N 3.25Å; L1246-S1248 PolarHBondContact O-N 3.38Å; L1246-I1249 HydrophobicContact CD2-CD1 4.5Å; L1246-I1249 WeakPolarHBondContact O-CB 3.45Å; L1246-I1249 PolarHBondContact O-N 3.19Å; L1246-I1249 VanDerWaalsContact O-N 3.1Å; L1246-F1250 WeakPolarHBondContact O-CD2 3.39Å; L1246-F1250 PolarHBondContact O-N 2.77Å
1247H91.3Very high89.3Confident79 Ų7934.9 Ų34.937%0.36617%0.168SC..Hα-helixtrans-54.9-43.1177-173.659.6000111.2Y1150 F1243 Y1245 I1249 F1250 T1251Y1150-H1247 AromaticContact CE2-ND1 3.99Å; Y1150-H1247 AromaticContact CZ-ND1 3.36Å; Y1150-H1247 PolarHBondContact OH-CE1 2.94Å; Y1150-H1247 PolarHBondContact OH-ND1 2.88Å; F1243-H1247 HydrophobicContact CE1-CB 4.44Å; F1243-H1247 VanDerWaalsContact O-CB 3.29Å; F1243-H1247 WeakPolarHBondContact O-CB 3.45Å; F1243-H1247 PolarHBondContact O-N 3.12Å; Y1245-H1247 PolarHBondContact O-N 3Å; H1247-I1249 VanDerWaalsContact C-N 3.3Å; H1247-I1249 PolarHBondContact O-N 3.14Å; H1247-F1250 PolarHBondContact O-N 3.24Å; H1247-F1250 VanDerWaalsContact O-N 3.1Å; H1247-T1251 PolarHBondContact O-N 2.92Å; H1247-T1251 PolarHBondContact O-OG1 2.79Å
1248S88.7Confident89.7Confident38 Ų3834.5 Ų34.527%0.26617%0.165SC..Hα-helixtrans-63.1-30.7179.478.20000114.3R1244 Y1245 L1246 Q1252R1244-S1248 WeakPolarHBondContact O-CB 3.41Å; R1244-S1248 PolarHBondContact O-N 3.43Å; Y1245-S1248 WeakPolarHBondContact O-CB 3.3Å; Y1245-S1248 PolarHBondContact O-N 3.44Å; Y1245-S1248 VanDerWaalsContact O-N 3.13Å; Y1245-S1248 PolarHBondContact O-OG 2.93Å; L1246-S1248 VanDerWaalsContact C-N 3.25Å; L1246-S1248 PolarHBondContact O-N 3.38Å; S1248-Q1252 WeakPolarHBondContact O-CB 3.34Å; S1248-Q1252 VanDerWaalsContact O-CG 3.28Å; S1248-Q1252 WeakPolarHBondContact O-CG 3.39Å; S1248-Q1252 PolarHBondContact O-N 3.3Å
1249I90.1Very high89.9Confident3 Ų333.6 Ų33.62%0.01516%0.16CC..Hα-helixtrans-61.3-48.7173-65.8171.6000109.2L1101 E1104 V1105 F1211 Y1245 L1246 H1247 Q1252 L1253L1101-I1249 HydrophobicContact CB-CG2 4.31Å; L1101-I1249 HydrophobicContact CD2-CB 4.4Å; L1101-I1249 HydrophobicContact CD2-CG1 4.21Å; L1101-I1249 HydrophobicContact CD2-CG2 4.04Å; E1104-I1249 HydrophobicContact CB-CD1 4.3Å; V1105-I1249 HydrophobicContact CG2-CG2 3.9Å; F1211-I1249 HydrophobicContact CZ-CD1 4.37Å; Y1245-I1249 HydrophobicContact CD1-CD1 4.39Å; Y1245-I1249 HydrophobicContact CE1-CD1 3.71Å; Y1245-I1249 HydrophobicContact CE1-CG1 4.45Å; Y1245-I1249 PolarHBondContact O-N 2.85Å; L1246-I1249 HydrophobicContact CD2-CD1 4.5Å; L1246-I1249 WeakPolarHBondContact O-CB 3.45Å; L1246-I1249 PolarHBondContact O-N 3.19Å; L1246-I1249 VanDerWaalsContact O-N 3.1Å; H1247-I1249 VanDerWaalsContact C-N 3.3Å; H1247-I1249 PolarHBondContact O-N 3.14Å; I1249-Q1252 PolarHBondContact O-N 3.39Å; I1249-L1253 HydrophobicContact CG2-CD1 4.1Å; I1249-L1253 WeakPolarHBondContact O-CG 3.44Å; I1249-L1253 PolarHBondContact O-N 3.4Å
1250F94.4Very high89.9Confident2 Ų236.4 Ų36.41%0.00917%0.173CC..Hα-helixtrans-72.6-37.1-178.4-64.7-74.9000112.4V1105 L1108 A1146 F1149 Y1150 V1154 L1246 H1247 Q1252 L1253 D1254V1105-F1250 HydrophobicContact CB-CE1 4.34Å; V1105-F1250 HydrophobicContact CG1-CE1 3.89Å; V1105-F1250 HydrophobicContact CG1-CZ 4.25Å; V1105-F1250 HydrophobicContact CG2-CD1 4.13Å; V1105-F1250 HydrophobicContact CG2-CE1 3.48Å; V1105-F1250 VanDerWaalsContact CG2-CE1 3.48Å; V1105-F1250 HydrophobicContact CG2-CZ 3.84Å; L1108-F1250 HydrophobicContact CD2-CE2 3.91Å; L1108-F1250 HydrophobicContact CD2-CZ 3.93Å; A1146-F1250 HydrophobicContact CB-CD1 4.4Å; A1146-F1250 HydrophobicContact CB-CE1 4.32Å; A1146-F1250 WeakPolarHBondContact O-CD1 3.35Å; A1146-F1250 VanDerWaalsContact O-CE1 3.29Å; A1146-F1250 WeakPolarHBondContact O-CE1 3.48Å; F1149-F1250 HydrophobicContact CD1-CE1 4.02Å; F1149-F1250 AromaticContact CD1-CZ 3.88Å; F1149-F1250 HydrophobicContact CD1-CZ 3.88Å; F1149-F1250 HydrophobicContact CE1-CZ 4.03Å; Y1150-F1250 HydrophobicContact CD1-CB 4.43Å; Y1150-F1250 HydrophobicContact CD2-CB 4Å; Y1150-F1250 HydrophobicContact CD2-CD1 4.3Å; Y1150-F1250 AromaticContact CD2-CD2 3.24Å; Y1150-F1250 HydrophobicContact CD2-CD2 3.24Å; Y1150-F1250 AromaticContact CD2-CE2 3.69Å; Y1150-F1250 HydrophobicContact CD2-CE2 3.69Å; Y1150-F1250 AromaticContact CD2-CG 3.59Å; Y1150-F1250 HydrophobicContact CD2-CG 3.59Å; Y1150-F1250 HydrophobicContact CD2-CZ 4.35Å; Y1150-F1250 AromaticContact CE2-CD2 3.95Å; Y1150-F1250 HydrophobicContact CE2-CD2 3.95Å; Y1150-F1250 HydrophobicContact CE2-CG 4.46Å; Y1150-F1250 HydrophobicContact CG-CB 3.93Å; Y1150-F1250 HydrophobicContact CG-CD1 4.13Å; Y1150-F1250 AromaticContact CG-CD2 3.88Å; Y1150-F1250 HydrophobicContact CG-CD2 3.88Å; Y1150-F1250 HydrophobicContact CG-CE2 4.41Å; Y1150-F1250 AromaticContact CG-CG 3.71Å; Y1150-F1250 HydrophobicContact CG-CG 3.71Å; V1154-F1250 HydrophobicContact CG1-CE2 4.38Å; V1154-F1250 HydrophobicContact CG2-CE2 4.06Å; V1154-F1250 HydrophobicContact CG2-CZ 4.01Å; L1246-F1250 WeakPolarHBondContact O-CD2 3.39Å; L1246-F1250 PolarHBondContact O-N 2.77Å; H1247-F1250 PolarHBondContact O-N 3.24Å; H1247-F1250 VanDerWaalsContact O-N 3.1Å; F1250-Q1252 VanDerWaalsContact C-N 3.32Å; F1250-Q1252 PolarHBondContact O-N 3.04Å; F1250-L1253 PolarHBondContact O-N 3.36Å; F1250-D1254 WeakPolarHBondContact O-CB 3.38Å; F1250-D1254 PolarHBondContact O-N 3.26Å
1251T90Very high89.9Confident50 Ų5038.8 Ų38.831%0.30719%0.188SC..Hα-helixtrans-58-45.5171.1-50.60000111.1H1247 D1254 E1255H1247-T1251 PolarHBondContact O-N 2.92Å; H1247-T1251 PolarHBondContact O-OG1 2.79Å; T1251-D1254 PolarHBondContact O-N 2.9Å; T1251-E1255 WeakPolarHBondContact O-CG 3.34Å; T1251-E1255 PolarHBondContact O-N 3.39Å
1252Q90.2Very high90.2Very high28 Ų2840 Ų4013%0.13119%0.194CC..Hα-helixtrans-65.6-40.5176.5-77.1179.84900112.7R1067 L1101 S1248 I1249 F1250 D1254 E1255 F1256R1067-Q1252 VanDerWaalsContact NH1-CG 3.29Å; L1101-Q1252 HydrophobicContact CD1-CB 3.57Å; S1248-Q1252 WeakPolarHBondContact O-CB 3.34Å; S1248-Q1252 VanDerWaalsContact O-CG 3.28Å; S1248-Q1252 WeakPolarHBondContact O-CG 3.39Å; S1248-Q1252 PolarHBondContact O-N 3.3Å; I1249-Q1252 PolarHBondContact O-N 3.39Å; F1250-Q1252 VanDerWaalsContact C-N 3.32Å; F1250-Q1252 PolarHBondContact O-N 3.04Å; Q1252-D1254 VanDerWaalsContact C-N 3.33Å; Q1252-E1255 PolarHBondContact O-N 3.3Å; Q1252-F1256 HydrophobicContact CB-CE2 4.39Å; Q1252-F1256 WeakPolarHBondContact O-CB 3.39Å; Q1252-F1256 WeakPolarHBondContact O-CD2 3.45Å; Q1252-F1256 WeakPolarHBondContact O-CG 3.25Å; Q1252-F1256 PolarHBondContact O-N 3.28Å
1253L92.5Very high89.8Confident1 Ų150.9 Ų50.91%0.00523%0.234CC..Hα-helixtrans-65.4-37.8176.4-76172.2000112.2R1098 L1101 L1102 V1105 C1143 A1146 I1249 F1250 F1256 R1257R1098-L1253 HydrophobicContact CG-CD2 4.29Å; L1101-L1253 HydrophobicContact CB-CD1 4.15Å; L1101-L1253 HydrophobicContact CB-CD2 3.64Å; L1101-L1253 HydrophobicContact CB-CG 3.82Å; L1101-L1253 HydrophobicContact CD1-CD2 4.33Å; L1101-L1253 HydrophobicContact CD1-CG 4.26Å; L1102-L1253 HydrophobicContact CD2-CD1 4.11Å; L1102-L1253 HydrophobicContact CD2-CD2 3.86Å; L1102-L1253 HydrophobicContact CG-CD2 3.79Å; V1105-L1253 HydrophobicContact CG2-CD1 3.43Å; V1105-L1253 VanDerWaalsContact CG2-CD1 3.43Å; C1143-L1253 VanDerWaalsContact CB-O 3.31Å; C1143-L1253 WeakPolarHBondContact CB-O 3.35Å; C1143-L1253 PolarHBondContact SG-O 2.85Å; A1146-L1253 HydrophobicContact CB-CD1 3.88Å; I1249-L1253 HydrophobicContact CG2-CD1 4.1Å; I1249-L1253 WeakPolarHBondContact O-CG 3.44Å; I1249-L1253 PolarHBondContact O-N 3.4Å; F1250-L1253 PolarHBondContact O-N 3.36Å; L1253-F1256 CarbonylContact O-C 3.52Å; L1253-F1256 PolarHBondContact O-N 3.13Å; L1253-R1257 PolarHBondContact O-N 2.8Å
1254D91.1Very high89.5Confident76 Ų7652.7 Ų52.741%0.40625%0.247SC..Hα-helixtrans-64.4-43.1174.9-166.446.3000111F1250 T1251 Q1252 F1256 R1257F1250-D1254 WeakPolarHBondContact O-CB 3.38Å; F1250-D1254 PolarHBondContact O-N 3.26Å; T1251-D1254 PolarHBondContact O-N 2.9Å; Q1252-D1254 VanDerWaalsContact C-N 3.33Å; D1254-F1256 VanDerWaalsContact C-N 3.33Å; D1254-F1256 PolarHBondContact O-N 3.44Å; D1254-R1257 WeakPolarHBondContact O-CB 3.47Å; D1254-R1257 PolarHBondContact O-N 3.48Å
1255E88Confident89.2Confident61 Ų6148.2 Ų48.229%0.28524%0.241SC..Hα-helixtrans-60.3-40.5171.1-71.9170.9-178.900111.8R1067 T1251 Q1252 R1257R1067-E1255 IonicContact CZ-OE2 3.41Å; R1067-E1255 VanDerWaalsContact CZ-OE2 3.32Å; R1067-E1255 IonicContact NE-OE2 3.64Å; R1067-E1255 PolarHBondContact NE-OE2 2.87Å; R1067-E1255 IonicContact NH2-OE1 2.76Å; R1067-E1255 IonicContact NH2-OE2 3.82Å; R1067-E1255 PolarHBondContact NH2-OE2 2.95Å; T1251-E1255 WeakPolarHBondContact O-CG 3.34Å; T1251-E1255 PolarHBondContact O-N 3.39Å; Q1252-E1255 PolarHBondContact O-N 3.3Å; E1255-R1257 VanDerWaalsContact C-N 3.27Å; E1255-R1257 PolarHBondContact O-N 3.35Å
1256F91.5Very high89Confident0 Ų050 Ų500%026%0.256CS..Hα-helixtrans-77.1-7.5178.8-63.1-16.8000114.4I1094 K1097 R1098 L1101 Q1252 L1253 D1254 A1258 F1259 E1260I1094-F1256 HydrophobicContact CB-CE1 4.34Å; I1094-F1256 HydrophobicContact CD1-CE1 4.36Å; I1094-F1256 HydrophobicContact CG1-CE1 4.01Å; I1094-F1256 HydrophobicContact CG1-CZ 4.33Å; I1094-F1256 HydrophobicContact CG2-CD1 3.5Å; I1094-F1256 HydrophobicContact CG2-CD2 4.34Å; I1094-F1256 HydrophobicContact CG2-CE1 3.63Å; I1094-F1256 HydrophobicContact CG2-CE2 4.44Å; I1094-F1256 HydrophobicContact CG2-CG 3.89Å; I1094-F1256 HydrophobicContact CG2-CZ 4.11Å; K1097-F1256 HydrophobicContact CB-CE2 4.17Å; K1097-F1256 HydrophobicContact CG-CE2 4.05Å; R1098-F1256 HydrophobicContact CB-CB 4.37Å; R1098-F1256 HydrophobicContact CB-CD2 3.9Å; R1098-F1256 HydrophobicContact CB-CG 4.49Å; R1098-F1256 HydrophobicContact CG-CB 4.41Å; L1101-F1256 HydrophobicContact CD1-CD2 4.12Å; L1101-F1256 HydrophobicContact CD1-CE2 3.81Å; Q1252-F1256 HydrophobicContact CB-CE2 4.39Å; Q1252-F1256 WeakPolarHBondContact O-CB 3.39Å; Q1252-F1256 WeakPolarHBondContact O-CD2 3.45Å; Q1252-F1256 WeakPolarHBondContact O-CG 3.25Å; Q1252-F1256 PolarHBondContact O-N 3.28Å; L1253-F1256 CarbonylContact O-C 3.52Å; L1253-F1256 PolarHBondContact O-N 3.13Å; D1254-F1256 VanDerWaalsContact C-N 3.33Å; D1254-F1256 PolarHBondContact O-N 3.44Å; F1256-A1258 PolarHBondContact O-N 3.49Å; F1256-F1259 HydrophobicContact CD1-CD2 4.46Å; F1256-F1259 WeakPolarHBondContact O-CB 3.43Å; F1256-F1259 PolarHBondContact O-N 3.43Å; F1256-E1260 PolarHBondContact O-N 2.61Å
1257R92Very high88.9Confident85 Ų8553.9 Ų53.932%0.32127%0.274SS..Hα-helixtrans-57-36.7179.6-172.4-179.9-178.5-174.51.8112C1143 E1144 L1253 D1254 E1255 F1259 E1260 L1261C1143-R1257 HydrophobicContact CB-CB 3.96Å; C1143-R1257 HydrophobicContact CB-CG 4.18Å; E1144-R1257 IonicContact OE1-NH2 2.9Å; E1144-R1257 IonicContact OE2-CZ 2.65Å; E1144-R1257 IonicContact OE2-NE 3.88Å; E1144-R1257 IonicContact OE2-NH2 3.96Å; E1144-R1257 PolarHBondContact OE2-NH2 3.14Å; L1253-R1257 PolarHBondContact O-N 2.8Å; D1254-R1257 WeakPolarHBondContact O-CB 3.47Å; D1254-R1257 PolarHBondContact O-N 3.48Å; E1255-R1257 VanDerWaalsContact C-N 3.27Å; E1255-R1257 PolarHBondContact O-N 3.35Å; R1257-F1259 VanDerWaalsContact C-N 3.31Å; R1257-F1259 PolarHBondContact O-N 2.83Å; R1257-E1260 WeakPolarHBondContact O-CB 3.44Å; R1257-E1260 PolarHBondContact O-N 3.07Å; R1257-L1261 WeakPolarHBondContact O-CG 3.36Å; R1257-L1261 PolarHBondContact O-N 2.74Å
1258A90Very high88.9Confident20 Ų2052.8 Ų52.817%0.16527%0.266CS..Hα-helixtrans-63.3-36.4177.200000112.6F1256 E1260 L1261 M1262 Y1271F1256-A1258 PolarHBondContact O-N 3.49Å; A1258-E1260 VanDerWaalsContact C-N 3.3Å; A1258-E1260 PolarHBondContact O-N 3.39Å; A1258-L1261 PolarHBondContact O-N 2.84Å; A1258-M1262 VanDerWaalsContact C-CE 3.49Å; A1258-M1262 HydrophobicContact CB-CE 4.13Å; A1258-M1262 WeakPolarHBondContact O-CE 3.44Å; A1258-M1262 WeakPolarHBondContact O-CG 3.33Å; A1258-M1262 PolarHBondContact O-N 3.42Å; A1258-M1262 VanDerWaalsContact O-N 3.09Å; A1258-Y1271 HydrophobicContact CB-CD1 4.04Å; A1258-Y1271 HydrophobicContact CB-CD2 4.24Å; A1258-Y1271 HydrophobicContact CB-CE1 3.46Å; A1258-Y1271 VanDerWaalsContact CB-CE1 3.46Å; A1258-Y1271 HydrophobicContact CB-CE2 3.67Å; A1258-Y1271 HydrophobicContact CB-CG 4.41Å; A1258-Y1271 WeakPolarHBondContact CB-OH 3.36Å
1259F90.4Very high89Confident0 Ų051 Ų510%025%0.254CS..Hα-helixtrans-68.7-29.7179.2-68.7-96.4000112.9V1091 I1094 L1095 F1256 R1257 M1262 R1268 Y1271 L1272 E1276V1091-F1259 HydrophobicContact CG2-CE1 4.39Å; I1094-F1259 HydrophobicContact CD1-CE1 3.89Å; I1094-F1259 HydrophobicContact CD1-CE2 4.05Å; I1094-F1259 HydrophobicContact CD1-CZ 3.52Å; I1094-F1259 HydrophobicContact CG2-CB 4.38Å; I1094-F1259 HydrophobicContact CG2-CD1 4Å; I1094-F1259 HydrophobicContact CG2-CD2 3.95Å; I1094-F1259 HydrophobicContact CG2-CE1 4.22Å; I1094-F1259 HydrophobicContact CG2-CE2 4.15Å; I1094-F1259 HydrophobicContact CG2-CG 3.85Å; I1094-F1259 HydrophobicContact CG2-CZ 4.28Å; L1095-F1259 HydrophobicContact CD2-CB 4.27Å; F1256-F1259 HydrophobicContact CD1-CD2 4.46Å; F1256-F1259 WeakPolarHBondContact O-CB 3.43Å; F1256-F1259 PolarHBondContact O-N 3.43Å; R1257-F1259 VanDerWaalsContact C-N 3.31Å; R1257-F1259 PolarHBondContact O-N 2.83Å; F1259-M1262 HydrophobicContact CD1-CE 4.33Å; F1259-M1262 HydrophobicContact CG-CE 4.29Å; F1259-R1268 HydrophobicContact CD1-CB 4.05Å; F1259-R1268 HydrophobicContact CD1-CG 4.19Å; F1259-R1268 HydrophobicContact CE1-CB 4.35Å; F1259-R1268 PolarHBondContact O-NE 3.14Å; F1259-R1268 PolarHBondContact O-NH2 2.9Å; F1259-Y1271 HydrophobicContact CD2-CD1 4.19Å; F1259-Y1271 HydrophobicContact CD2-CE1 4.22Å; F1259-Y1271 AromaticContact CE2-CD1 3.61Å; F1259-Y1271 HydrophobicContact CE2-CD1 3.61Å; F1259-Y1271 AromaticContact CE2-CE1 3.7Å; F1259-Y1271 HydrophobicContact CE2-CE1 3.7Å; F1259-Y1271 AromaticContact CZ-CD1 3.79Å; F1259-Y1271 HydrophobicContact CZ-CD1 3.79Å; F1259-Y1271 HydrophobicContact CZ-CE1 4.32Å; F1259-L1272 HydrophobicContact CE1-CB 4.03Å; F1259-L1272 HydrophobicContact CE1-CD1 4.27Å; F1259-L1272 HydrophobicContact CZ-CB 3.87Å; F1259-L1272 HydrophobicContact CZ-CD1 4.34Å; F1259-L1272 HydrophobicContact CZ-CG 4.31Å; F1259-E1276 HydrophobicContact CE2-CB 4.48Å; F1259-E1276 HydrophobicContact CZ-CB 4.33Å
1260E88.6Confident89Confident59 Ų5952.4 Ų52.428%0.27626%0.262SS..Hα-helixtrans-66.4-41.3171.4178.6172-179.300112.1R1098 T1142 C1143 F1256 R1257 A1258R1098-E1260 IonicContact CZ-OE2 2.64Å; R1098-E1260 IonicContact NE-OE2 3.42Å; R1098-E1260 PolarHBondContact NE-OE2 3.29Å; R1098-E1260 IonicContact NH2-OE1 3.37Å; R1098-E1260 PolarHBondContact NH2-OE1 3Å; R1098-E1260 IonicContact NH2-OE2 3.12Å; R1098-E1260 PolarHBondContact NH2-OE2 3.07Å; T1142-E1260 WeakPolarHBondContact CB-OE1 3.36Å; T1142-E1260 WeakPolarHBondContact CG2-OE1 3.2Å; C1143-E1260 WeakPolarHBondContact CB-OE2 3.23Å; C1143-E1260 PolarHBondContact N-OE2 3.23Å; C1143-E1260 PolarHBondContact SG-OE2 3.45Å; F1256-E1260 PolarHBondContact O-N 2.61Å; R1257-E1260 WeakPolarHBondContact O-CB 3.44Å; R1257-E1260 PolarHBondContact O-N 3.07Å; A1258-E1260 VanDerWaalsContact C-N 3.3Å; A1258-E1260 PolarHBondContact O-N 3.39Å
1261L89.3Confident88.8Confident122 Ų12255.9 Ų55.964%0.63928%0.275SS*.Hα-helixtrans-76.5-35.9-175.4-65.2172.4000113.4R1257 A1258R1257-L1261 WeakPolarHBondContact O-CG 3.36Å; R1257-L1261 PolarHBondContact O-N 2.74Å; A1258-L1261 PolarHBondContact O-N 2.84Å
1262M89.3Confident88.9Confident31 Ų3153.5 Ų53.515%0.15326%0.261CS..  trans-70.8139.7-179-70.9179.2-74.400112.1A1258 F1259 E1267 R1268 Y1271A1258-M1262 VanDerWaalsContact C-CE 3.49Å; A1258-M1262 HydrophobicContact CB-CE 4.13Å; A1258-M1262 WeakPolarHBondContact O-CE 3.44Å; A1258-M1262 WeakPolarHBondContact O-CG 3.33Å; A1258-M1262 PolarHBondContact O-N 3.42Å; A1258-M1262 VanDerWaalsContact O-N 3.09Å; F1259-M1262 HydrophobicContact CD1-CE 4.33Å; F1259-M1262 HydrophobicContact CG-CE 4.29Å; M1262-E1267 HydrophobicContact CB-CB 4.07Å; M1262-E1267 HydrophobicContact CG-CB 4.15Å; M1262-E1267 VanDerWaalsContact SD-C 3.54Å; M1262-E1267 HydrophobicContact SD-CB 3.92Å; M1262-R1268 HydrophobicContact CB-CG 3.82Å; M1262-R1268 HydrophobicContact CE-CB 4.45Å; M1262-R1268 HydrophobicContact CE-CG 4.09Å; M1262-R1268 PolarHBondContact O-NE 2.59Å; M1262-R1268 PolarHBondContact O-NH2 3.02Å; M1262-Y1271 VanDerWaalsContact CE-CB 3.42Å; M1262-Y1271 HydrophobicContact CE-CD1 3.73Å; M1262-Y1271 HydrophobicContact CE-CD2 4.22Å; M1262-Y1271 HydrophobicContact CE-CG 3.52Å; M1262-Y1271 VanDerWaalsContact SD-CB 3.52Å; M1262-Y1271 HydrophobicContact SD-CD2 4.44Å; M1262-Y1271 HydrophobicContact SD-CG 4.04Å
1263R82.6Confident89Confident227 Ų22752.4 Ų52.486%0.85726%0.256SS*.  trans-94.1-37.5-170.1-65.2-178.7-177.7154.90.5112.8E1267R1263-E1267 PolarHBondContact N-OE2 3.09Å
1264T84Confident88.9Confident61 Ų6154 Ų5437%0.37426%0.264SS..SBendtrans-103.2150-174.269.50000112.2T1266 E1267 R1268T1264-T1266 PolarHBondContact O-N 3.04Å; T1264-E1267 WeakPolarHBondContact CG2-OE1 3.42Å; T1264-E1267 PolarHBondContact N-OE2 3.39Å; T1264-E1267 PolarHBondContact O-N 3.32Å; T1264-E1267 WeakPolarHBondContact OG1-CB 3.49Å; T1264-E1267 WeakPolarHBondContact OG1-CG 3.25Å; T1264-E1267 PolarHBondContact OG1-N 2.84Å; T1264-E1267 PolarHBondContact OG1-OE1 3.17Å; T1264-R1268 WeakPolarHBondContact O-CG 3.38Å; T1264-R1268 PolarHBondContact O-N 3.2Å
1265G80.3Confident88.8Confident34 Ų3455.4 Ų55.435%0.35127%0.268SS..Hα-helixtrans-61.2-31174.600000112.7A1269G1265-A1269 VanDerWaalsContact O-CB 3.28Å; G1265-A1269 WeakPolarHBondContact O-CB 3.49Å; G1265-A1269 PolarHBondContact O-N 3.39Å
1266T84.7Confident88.9Confident72 Ų7252.8 Ų52.844%0.44226%0.256SS..Hα-helixtrans-69.3-44.1177.2-54.40000112.2T1264 R1268 A1269 N1270T1264-T1266 PolarHBondContact O-N 3.04Å; T1266-R1268 VanDerWaalsContact C-N 3.34Å; T1266-R1268 PolarHBondContact O-N 3.31Å; T1266-A1269 PolarHBondContact O-N 3.27Å; T1266-N1270 WeakPolarHBondContact O-CB 3.47Å; T1266-N1270 PolarHBondContact O-N 3.21Å; T1266-N1270 PolarHBondContact O-ND2 2.91Å
1267E88.6Confident89.1Confident83 Ų8352.8 Ų52.839%0.38826%0.256SS..Hα-helixtrans-57.2-48.6172.8-77.3154.2-142.800110.9M1262 R1263 T1264 A1269 N1270 Y1271M1262-E1267 HydrophobicContact CB-CB 4.07Å; M1262-E1267 HydrophobicContact CG-CB 4.15Å; M1262-E1267 VanDerWaalsContact SD-C 3.54Å; M1262-E1267 HydrophobicContact SD-CB 3.92Å; R1263-E1267 PolarHBondContact N-OE2 3.09Å; T1264-E1267 WeakPolarHBondContact CG2-OE1 3.42Å; T1264-E1267 PolarHBondContact N-OE2 3.39Å; T1264-E1267 PolarHBondContact O-N 3.32Å; T1264-E1267 WeakPolarHBondContact OG1-CB 3.49Å; T1264-E1267 WeakPolarHBondContact OG1-CG 3.25Å; T1264-E1267 PolarHBondContact OG1-N 2.84Å; T1264-E1267 PolarHBondContact OG1-OE1 3.17Å; E1267-A1269 PolarHBondContact O-N 3.45Å; E1267-N1270 PolarHBondContact O-N 3.11Å; E1267-Y1271 WeakPolarHBondContact O-CB 3.32Å; E1267-Y1271 PolarHBondContact O-N 3.17Å
1268R91.5Very high89.2Confident55 Ų5550.5 Ų50.521%0.20825%0.248CC..Hα-helixtrans-59.7-45.7178.1-68.3175.3179.8163.44.3112V1091 F1259 M1262 T1264 T1266 N1270 Y1271 L1272V1091-R1268 HydrophobicContact CG1-CB 3.79Å; V1091-R1268 HydrophobicContact CG1-CG 4.49Å; V1091-R1268 HydrophobicContact CG2-CB 3.91Å; F1259-R1268 HydrophobicContact CD1-CB 4.05Å; F1259-R1268 HydrophobicContact CD1-CG 4.19Å; F1259-R1268 HydrophobicContact CE1-CB 4.35Å; F1259-R1268 PolarHBondContact O-NE 3.14Å; F1259-R1268 PolarHBondContact O-NH2 2.9Å; M1262-R1268 HydrophobicContact CB-CG 3.82Å; M1262-R1268 HydrophobicContact CE-CB 4.45Å; M1262-R1268 HydrophobicContact CE-CG 4.09Å; M1262-R1268 PolarHBondContact O-NE 2.59Å; M1262-R1268 PolarHBondContact O-NH2 3.02Å; T1264-R1268 WeakPolarHBondContact O-CG 3.38Å; T1264-R1268 PolarHBondContact O-N 3.2Å; T1266-R1268 VanDerWaalsContact C-N 3.34Å; T1266-R1268 PolarHBondContact O-N 3.31Å; R1268-N1270 VanDerWaalsContact C-N 3.33Å; R1268-N1270 PolarHBondContact O-N 3.44Å; R1268-Y1271 PolarHBondContact O-N 3.01Å; R1268-L1272 VanDerWaalsContact O-CB 3.3Å; R1268-L1272 WeakPolarHBondContact O-CB 3.44Å; R1268-L1272 PolarHBondContact O-N 2.82Å
1269A88.9Confident89.5Confident0 Ų049.5 Ų49.50%024%0.24CC..Hα-helixtrans-62-39.2176.900000112.5R1087 V1091 G1265 T1266 E1267 L1273R1087-A1269 HydrophobicContact CB-CB 4.03Å; V1091-A1269 HydrophobicContact CG2-CB 4.28Å; G1265-A1269 VanDerWaalsContact O-CB 3.28Å; G1265-A1269 WeakPolarHBondContact O-CB 3.49Å; G1265-A1269 PolarHBondContact O-N 3.39Å; T1266-A1269 PolarHBondContact O-N 3.27Å; E1267-A1269 PolarHBondContact O-N 3.45Å; A1269-L1273 WeakPolarHBondContact O-CB 3.06Å; A1269-L1273 PolarHBondContact O-N 3.07Å; A1269-L1273 VanDerWaalsContact O-N 3.07Å
1270N90.7Very high89.8Confident34 Ų3449.5 Ų49.518%0.18224%0.24CC..Hα-helixtrans-70.7-44.8178-70.3-15.7000111.5T1266 E1267 R1268 L1272 L1273 I1274 L1297T1266-N1270 WeakPolarHBondContact O-CB 3.47Å; T1266-N1270 PolarHBondContact O-N 3.21Å; T1266-N1270 PolarHBondContact O-ND2 2.91Å; E1267-N1270 PolarHBondContact O-N 3.11Å; R1268-N1270 VanDerWaalsContact C-N 3.33Å; R1268-N1270 PolarHBondContact O-N 3.44Å; N1270-L1272 VanDerWaalsContact C-N 3.34Å; N1270-L1272 PolarHBondContact O-N 3.45Å; N1270-L1273 WeakPolarHBondContact O-CB 3.18Å; N1270-L1273 PolarHBondContact O-N 2.59Å; N1270-I1274 VanDerWaalsContact O-CD1 3.3Å; N1270-I1274 WeakPolarHBondContact O-CD1 3.5Å; N1270-I1274 VanDerWaalsContact O-CG1 3.25Å; N1270-I1274 WeakPolarHBondContact O-CG1 3.38Å; N1270-I1274 PolarHBondContact O-N 2.77Å; N1270-L1297 HydrophobicContact CB-CD2 3.98Å
1271Y91.5Very high90.2Very high74 Ų7446.7 Ų46.729%0.2923%0.227SC..Hα-helixtrans-60.5-43.8175.4-179.3-91.7000111.7A1258 F1259 M1262 E1267 R1268 L1273 I1274 Q1275A1258-Y1271 HydrophobicContact CB-CD1 4.04Å; A1258-Y1271 HydrophobicContact CB-CD2 4.24Å; A1258-Y1271 HydrophobicContact CB-CE1 3.46Å; A1258-Y1271 VanDerWaalsContact CB-CE1 3.46Å; A1258-Y1271 HydrophobicContact CB-CE2 3.67Å; A1258-Y1271 HydrophobicContact CB-CG 4.41Å; A1258-Y1271 WeakPolarHBondContact CB-OH 3.36Å; F1259-Y1271 HydrophobicContact CD2-CD1 4.19Å; F1259-Y1271 HydrophobicContact CD2-CE1 4.22Å; F1259-Y1271 AromaticContact CE2-CD1 3.61Å; F1259-Y1271 HydrophobicContact CE2-CD1 3.61Å; F1259-Y1271 AromaticContact CE2-CE1 3.7Å; F1259-Y1271 HydrophobicContact CE2-CE1 3.7Å; F1259-Y1271 AromaticContact CZ-CD1 3.79Å; F1259-Y1271 HydrophobicContact CZ-CD1 3.79Å; F1259-Y1271 HydrophobicContact CZ-CE1 4.32Å; M1262-Y1271 VanDerWaalsContact CE-CB 3.42Å; M1262-Y1271 HydrophobicContact CE-CD1 3.73Å; M1262-Y1271 HydrophobicContact CE-CD2 4.22Å; M1262-Y1271 HydrophobicContact CE-CG 3.52Å; M1262-Y1271 VanDerWaalsContact SD-CB 3.52Å; M1262-Y1271 HydrophobicContact SD-CD2 4.44Å; M1262-Y1271 HydrophobicContact SD-CG 4.04Å; E1267-Y1271 WeakPolarHBondContact O-CB 3.32Å; E1267-Y1271 PolarHBondContact O-N 3.17Å; R1268-Y1271 PolarHBondContact O-N 3.01Å; Y1271-L1273 VanDerWaalsContact C-N 3.3Å; Y1271-L1273 PolarHBondContact O-N 3.22Å; Y1271-I1274 PolarHBondContact O-N 2.9Å; Y1271-I1274 VanDerWaalsContact O-N 3.13Å; Y1271-Q1275 HydrophobicContact CD2-CB 4.47Å; Y1271-Q1275 HydrophobicContact CD2-CG 4.14Å; Y1271-Q1275 HydrophobicContact CE1-CB 4.14Å; Y1271-Q1275 HydrophobicContact CE2-CB 4.06Å; Y1271-Q1275 HydrophobicContact CE2-CG 3.78Å; Y1271-Q1275 PolarHBondContact O-N 3.35Å
1272L91.8Very high90.5Very high1 Ų140.9 Ų40.91%0.00520%0.197CC..Iπ-helixtrans-55.6-48174.1-173.1156.1000111L1070 R1090 V1091 I1094 F1259 R1268 N1270 I1274 E1276 A1277L1070-L1272 HydrophobicContact CD1-CD2 3.86Å; L1070-L1272 HydrophobicContact CD2-CD2 3.81Å; L1070-L1272 HydrophobicContact CG-CD2 4.28Å; R1090-L1272 HydrophobicContact CB-CD1 3.5Å; R1090-L1272 VanDerWaalsContact CB-CD1 3.5Å; R1090-L1272 HydrophobicContact CB-CD2 4.29Å; V1091-L1272 HydrophobicContact CG2-CD1 3.97Å; I1094-L1272 HydrophobicContact CD1-CD1 3.55Å; I1094-L1272 HydrophobicContact CD1-CG 4.21Å; F1259-L1272 HydrophobicContact CE1-CB 4.03Å; F1259-L1272 HydrophobicContact CE1-CD1 4.27Å; F1259-L1272 HydrophobicContact CZ-CB 3.87Å; F1259-L1272 HydrophobicContact CZ-CD1 4.34Å; F1259-L1272 HydrophobicContact CZ-CG 4.31Å; R1268-L1272 VanDerWaalsContact O-CB 3.3Å; R1268-L1272 WeakPolarHBondContact O-CB 3.44Å; R1268-L1272 PolarHBondContact O-N 2.82Å; N1270-L1272 VanDerWaalsContact C-N 3.34Å; N1270-L1272 PolarHBondContact O-N 3.45Å; L1272-I1274 VanDerWaalsContact C-N 3.28Å; L1272-I1274 PolarHBondContact O-N 3.24Å; L1272-E1276 HydrophobicContact CG-CB 4.36Å; L1272-E1276 PolarHBondContact O-N 3.42Å; L1272-A1277 HydrophobicContact CD2-CB 4.09Å; L1272-A1277 WeakPolarHBondContact O-CB 3.27Å; L1272-A1277 PolarHBondContact O-N 2.85Å
1273L92.1Very high90.6Very high4 Ų440 Ų402%0.02119%0.193CC..Iπ-helixtrans-66-25179.2175.960.7000113.6R1041 L1070 L1072 A1269 N1270 Y1271 I1280 L1294 L1297 F1299R1041-L1273 PolarHBondContact NH2-O 3.15Å; L1070-L1273 HydrophobicContact CD2-CB 4.25Å; L1070-L1273 HydrophobicContact CD2-CD1 3.56Å; L1072-L1273 HydrophobicContact CD1-CD1 3.79Å; A1269-L1273 WeakPolarHBondContact O-CB 3.06Å; A1269-L1273 PolarHBondContact O-N 3.07Å; A1269-L1273 VanDerWaalsContact O-N 3.07Å; N1270-L1273 WeakPolarHBondContact O-CB 3.18Å; N1270-L1273 PolarHBondContact O-N 2.59Å; Y1271-L1273 VanDerWaalsContact C-N 3.3Å; Y1271-L1273 PolarHBondContact O-N 3.22Å; L1273-I1280 HydrophobicContact CD1-CG2 4.33Å; L1273-L1294 HydrophobicContact CD2-CD2 3.68Å; L1273-L1294 HydrophobicContact CG-CD2 4.47Å; L1273-L1297 HydrophobicContact CD2-CD1 4.34Å; L1273-F1299 HydrophobicContact CD1-CD2 4.05Å; L1273-F1299 HydrophobicContact CD1-CE2 3.84Å; L1273-F1299 HydrophobicContact CG-CD2 4.22Å
1274I90.8Very high90.9Very high35 Ų3529.3 Ų29.318%0.17915%0.153CC..Iπ-helixtrans-98.7-38.8-176.2-61.3155.7000111.9R1041 N1270 Y1271 L1272 L1297R1041-I1274 PolarHBondContact NH1-O 3.31Å; R1041-I1274 PolarHBondContact NH2-O 3.38Å; N1270-I1274 VanDerWaalsContact O-CD1 3.3Å; N1270-I1274 WeakPolarHBondContact O-CD1 3.5Å; N1270-I1274 VanDerWaalsContact O-CG1 3.25Å; N1270-I1274 WeakPolarHBondContact O-CG1 3.38Å; N1270-I1274 PolarHBondContact O-N 2.77Å; Y1271-I1274 PolarHBondContact O-N 2.9Å; Y1271-I1274 VanDerWaalsContact O-N 3.13Å; L1272-I1274 VanDerWaalsContact C-N 3.28Å; L1272-I1274 PolarHBondContact O-N 3.24Å; I1274-L1297 HydrophobicContact CD1-CB 4.04Å; I1274-L1297 HydrophobicContact CD1-CD2 4.4Å; I1274-L1297 WeakPolarHBondContact CD1-O 3.47Å; I1274-L1297 HydrophobicContact CG1-CB 4.39Å; I1274-L1297 WeakPolarHBondContact CG1-O 3.15Å
1275Q88.6Confident90.9Very high105 Ų10528.3 Ų28.349%0.49115%0.147SC..Iπ-helixtrans-113.7-46.6-169.1-63.6-64.7-11.800113.1Y1271 K1278Y1271-Q1275 HydrophobicContact CD2-CB 4.47Å; Y1271-Q1275 HydrophobicContact CD2-CG 4.14Å; Y1271-Q1275 HydrophobicContact CE1-CB 4.14Å; Y1271-Q1275 HydrophobicContact CE2-CB 4.06Å; Y1271-Q1275 HydrophobicContact CE2-CG 3.78Å; Y1271-Q1275 PolarHBondContact O-N 3.35Å; Q1275-K1278 PolarHBondContact O-NZ 3.33Å
1276E90.7Very high91.3Very high6 Ų627.8 Ų27.83%0.02814%0.135CC..Iπ-helixtrans-81-52.6-170-170.957.9-155.900112.6R1067 H1068 I1094 F1259 L1272 K1278R1067-E1276 WeakPolarHBondContact CD-OE1 3.34Å; R1067-E1276 VanDerWaalsContact CG-OE1 3.26Å; R1067-E1276 WeakPolarHBondContact CG-OE1 3.4Å; R1067-E1276 IonicContact NE-OE1 3.57Å; R1067-E1276 PolarHBondContact NE-OE1 3.27Å; H1068-E1276 PolarHBondContact CD2-O 3.26Å; H1068-E1276 IonicContact CD2-OE1 2.66Å; I1094-E1276 HydrophobicContact CD1-CG 3.96Å; F1259-E1276 HydrophobicContact CE2-CB 4.48Å; F1259-E1276 HydrophobicContact CZ-CB 4.33Å; L1272-E1276 HydrophobicContact CG-CB 4.36Å; L1272-E1276 PolarHBondContact O-N 3.42Å; E1276-K1278 WeakPolarHBondContact O-CE 3.25Å; E1276-K1278 PolarHBondContact O-N 2.52Å
1277A94Very high91.5Very high0 Ų024.3 Ų24.30%011%0.114CC..  trans-63.6127.2-17800000111.3R1041 L1070 L1272 I1280R1041-A1277 PolarHBondContact NE-O 3.08Å; R1041-A1277 PolarHBondContact NH2-O 3.12Å; L1070-A1277 HydrophobicContact CB-CB 3.83Å; L1070-A1277 HydrophobicContact CD2-CB 4.02Å; L1272-A1277 HydrophobicContact CD2-CB 4.09Å; L1272-A1277 WeakPolarHBondContact O-CB 3.27Å; L1272-A1277 PolarHBondContact O-N 2.85Å; A1277-I1280 HydrophobicContact CB-CD1 4.22Å; A1277-I1280 HydrophobicContact CB-CG1 3.92Å
1278K95.3Very high91.4Very high37 Ų3720.5 Ų20.516%0.16110%0.096CC..SBendtrans-104.9-30.9177.7-48.9-57.2179.9-163.50112.3R1041 I1042 H1068 Q1275 E1276R1041-K1278 CarbonylContact C-O 3.55Å; R1041-K1278 WeakPolarHBondContact CA-O 3.48Å; I1042-K1278 PolarHBondContact N-O 3.01Å; H1068-K1278 HydrophobicContact CB-CB 3.99Å; H1068-K1278 HydrophobicContact CB-CG 3.89Å; H1068-K1278 PolarHBondContact O-N 2.92Å; Q1275-K1278 PolarHBondContact O-NZ 3.33Å; E1276-K1278 WeakPolarHBondContact O-CE 3.25Å; E1276-K1278 PolarHBondContact O-N 2.52Å
1279I96.9Very high91Very high0 Ų020.7 Ų20.70%010%0.101CC..EExtended strand (participates in β ladder)trans-118109.7174.7-62165.8000107.9I1030 Y1034 I1042 I1044 I1059 V1064 H1068 L1069 L1070I1030-I1279 HydrophobicContact CG2-CD1 3.59Å; I1030-I1279 HydrophobicContact CG2-CG1 4.27Å; Y1034-I1279 HydrophobicContact CD2-CD1 4.23Å; I1042-I1279 HydrophobicContact CB-CG1 4.27Å; I1042-I1279 HydrophobicContact CD1-CG1 4.28Å; I1042-I1279 WeakPolarHBondContact O-CA 3.45Å; I1044-I1279 HydrophobicContact CD1-CG2 3.52Å; I1044-I1279 HydrophobicContact CG1-CG2 4.28Å; I1059-I1279 HydrophobicContact CG2-CD1 4.42Å; V1064-I1279 HydrophobicContact CG1-CD1 3.98Å; V1064-I1279 HydrophobicContact CG2-CD1 4.3Å; H1068-I1279 PolarHBondContact O-N 3.34Å; L1069-I1279 HydrophobicContact CD2-CB 3.89Å; L1069-I1279 HydrophobicContact CD2-CD1 3.94Å; L1069-I1279 HydrophobicContact CD2-CG1 4.48Å; L1069-I1279 HydrophobicContact CD2-CG2 4.18Å; L1070-I1279 PolarHBondContact N-O 3.47Å
1280I96.5Very high90.9Very high0 Ų026 Ų260%012%0.121CC..EExtended strand (participates in β ladder)trans-112.7123.6-177.6-57.193.1000108.2I1042 L1043 I1044 L1070 L1072 L1273 A1277 M1282 F1299I1042-I1280 PolarHBondContact O-N 2.92Å; L1043-I1280 CarbonylContact C-O 3.58Å; L1043-I1280 WeakPolarHBondContact CA-O 3.35Å; L1043-I1280 HydrophobicContact CD1-CB 4.36Å; L1043-I1280 HydrophobicContact CD1-CG2 4.33Å; I1044-I1280 PolarHBondContact N-O 3.2Å; L1070-I1280 HydrophobicContact CB-CG1 4.46Å; L1070-I1280 HydrophobicContact CD2-CG1 4.44Å; L1070-I1280 HydrophobicContact CD2-CG2 4.43Å; L1070-I1280 CarbonylContact O-C 3.6Å; L1070-I1280 WeakPolarHBondContact O-CA 3.22Å; L1072-I1280 HydrophobicContact CD1-CG2 3.75Å; L1072-I1280 HydrophobicContact CG-CG2 4.27Å; L1273-I1280 HydrophobicContact CD1-CG2 4.33Å; A1277-I1280 HydrophobicContact CB-CD1 4.22Å; A1277-I1280 HydrophobicContact CB-CG1 3.92Å; I1280-M1282 HydrophobicContact CG2-CE 3.97Å; I1280-F1299 HydrophobicContact CB-CZ 4.34Å; I1280-F1299 HydrophobicContact CD1-CE2 4.16Å; I1280-F1299 HydrophobicContact CD1-CZ 4.37Å; I1280-F1299 HydrophobicContact CG1-CE2 4.18Å; I1280-F1299 HydrophobicContact CG1-CZ 4.39Å; I1280-F1299 HydrophobicContact CG2-CZ 4.26Å
1281A96.3Very high90.8Very high0 Ų024.6 Ų24.60%011%0.113CC..EExtended strand (participates in β ladder)trans-113.8128-178.900000111.2I1044 L1052 F1056 L1070 R1071 L1072I1044-A1281 HydrophobicContact CB-CB 4.15Å; I1044-A1281 WeakPolarHBondContact O-CA 3.27Å; L1052-A1281 HydrophobicContact CD1-CB 3.92Å; L1052-A1281 HydrophobicContact CD2-CB 4.46Å; L1052-A1281 HydrophobicContact CG-CB 4.27Å; F1056-A1281 HydrophobicContact CD2-CB 3.5Å; F1056-A1281 HydrophobicContact CE2-CB 3.78Å; L1070-A1281 PolarHBondContact O-N 2.77Å; R1071-A1281 WeakPolarHBondContact CA-O 3.44Å; L1072-A1281 PolarHBondContact N-O 3.09Å
1282M95.1Very high90.5Very high0 Ų026 Ų260%012%0.118CC..EExtended strand (participates in β ladder)trans-148.2166.217866.1179.963.900112L1043 I1044 V1045 T1046 L1052 L1072 I1280 H1286 A1287 L1294 L1323L1043-M1282 HydrophobicContact CD1-CE 3.74Å; L1043-M1282 HydrophobicContact CD1-CG 4.06Å; L1043-M1282 HydrophobicContact CD1-SD 4.05Å; I1044-M1282 PolarHBondContact O-N 3.34Å; V1045-M1282 VanDerWaalsContact CA-O 3.29Å; V1045-M1282 WeakPolarHBondContact CA-O 3.44Å; V1045-M1282 HydrophobicContact CG2-CG 4.39Å; T1046-M1282 PolarHBondContact N-O 3.4Å; L1052-M1282 WeakPolarHBondContact CD1-O 3.38Å; L1072-M1282 HydrophobicContact CB-CB 4.13Å; L1072-M1282 HydrophobicContact CD1-CE 3.6Å; I1280-M1282 HydrophobicContact CG2-CE 3.97Å; M1282-H1286 HydrophobicContact CB-CB 4.37Å; M1282-A1287 HydrophobicContact SD-CB 3.79Å; M1282-L1294 HydrophobicContact CE-CD1 4.13Å; M1282-L1294 HydrophobicContact SD-CD1 4.42Å; M1282-L1323 HydrophobicContact SD-CD1 4.03Å
1283T92.2Very high90.2Very high13 Ų1329.1 Ų29.18%0.0814%0.135CC..EExtended strand (participates in β ladder)trans-86.1156.6169.559.30000111.2T1046 N1049 L1052 T1285 H1286 A1287T1046-T1283 VanDerWaalsContact O-CA 3.3Å; T1046-T1283 WeakPolarHBondContact O-CA 3.41Å; N1049-T1283 VanDerWaalsContact OD1-CG2 3.26Å; N1049-T1283 WeakPolarHBondContact OD1-CG2 3.35Å; L1052-T1283 HydrophobicContact CD2-CG2 4.24Å; T1283-T1285 PolarHBondContact O-N 3.22Å; T1283-H1286 WeakPolarHBondContact O-CB 3.25Å; T1283-H1286 PolarHBondContact O-N 2.95Å; T1283-H1286 WeakPolarHBondContact OG1-CB 3.21Å; T1283-H1286 PolarHBondContact OG1-N 3.43Å; T1283-A1287 PolarHBondContact O-N 3.26Å
1284C89.2Confident90.1Very high2 Ų229.2 Ų29.21%0.01414%0.135CC..Hα-helixtrans-53.9-40.5171.8-83.50000112.3V1045 T1046 H1286 A1287 A1288 I1312 E1316V1045-C1284 HydrophobicContact CG1-CB 4.22Å; V1045-C1284 WeakPolarHBondContact CG1-SG 3.49Å; T1046-C1284 PolarHBondContact O-N 3.02Å; C1284-H1286 VanDerWaalsContact C-N 3.33Å; C1284-H1286 PolarHBondContact O-N 3.26Å; C1284-A1287 WeakPolarHBondContact O-CB 3.48Å; C1284-A1287 PolarHBondContact O-N 3.01Å; C1284-A1288 PolarHBondContact O-N 3.15Å; C1284-I1312 HydrophobicContact CB-CG2 4.25Å; C1284-E1316 HydrophobicContact CB-CB 4.28Å; C1284-E1316 PolarHBondContact SG-O 3.38Å; C1284-E1316 VanDerWaalsContact SG-O 3.4Å
1285T84.2Confident90Very high39 Ų3928.6 Ų28.624%0.23913%0.133CC..Hα-helixtrans-61.2-42.6176-44.80000111.3N802 T1283 A1288 L1289N802-T1285 HydrophobicContact CB-CG2 4.24Å; N802-T1285 VanDerWaalsContact ND2-CG2 3.31Å; N802-T1285 WeakPolarHBondContact ND2-CG2 3.43Å; T1283-T1285 PolarHBondContact O-N 3.22Å; T1285-A1288 PolarHBondContact O-N 2.87Å; T1285-L1289 HydrophobicContact CG2-CD1 4.17Å; T1285-L1289 HydrophobicContact CG2-CG 4.44Å; T1285-L1289 WeakPolarHBondContact O-CB 3.41Å; T1285-L1289 VanDerWaalsContact O-CG 3.25Å; T1285-L1289 WeakPolarHBondContact O-CG 3.44Å; T1285-L1289 PolarHBondContact O-N 3.44Å
1286H87.6Confident89.9Confident23 Ų2331.8 Ų31.811%0.10615%0.148CC..Hα-helixtrans-65.9-39.8177.5-167.980.2000112.1G1073 M1282 T1283 C1284 A1288 L1289 R1290G1073-H1286 WeakPolarHBondContact CA-ND1 3.34Å; M1282-H1286 HydrophobicContact CB-CB 4.37Å; T1283-H1286 WeakPolarHBondContact O-CB 3.25Å; T1283-H1286 PolarHBondContact O-N 2.95Å; T1283-H1286 WeakPolarHBondContact OG1-CB 3.21Å; T1283-H1286 PolarHBondContact OG1-N 3.43Å; C1284-H1286 VanDerWaalsContact C-N 3.33Å; C1284-H1286 PolarHBondContact O-N 3.26Å; H1286-A1288 VanDerWaalsContact C-N 3.3Å; H1286-A1288 PolarHBondContact O-N 2.91Å; H1286-L1289 PolarHBondContact O-N 2.92Å; H1286-R1290 WeakPolarHBondContact O-CB 3.28Å; H1286-R1290 PolarHBondContact O-N 2.88Å
1287A90Very high89.8Confident0 Ų033.9 Ų33.90%016%0.159CC..Hα-helixtrans-56.6-43.9173.200000111.7M1282 T1283 C1284 R1291 I1319 P1320 L1323M1282-A1287 HydrophobicContact SD-CB 3.79Å; T1283-A1287 PolarHBondContact O-N 3.26Å; C1284-A1287 WeakPolarHBondContact O-CB 3.48Å; C1284-A1287 PolarHBondContact O-N 3.01Å; A1287-R1291 WeakPolarHBondContact O-CA 3.42Å; A1287-R1291 WeakPolarHBondContact O-CB 3.28Å; A1287-R1291 PolarHBondContact O-N 3.47Å; A1287-R1291 VanDerWaalsContact O-N 3.07Å; A1287-I1319 HydrophobicContact CB-CG2 4.47Å; A1287-P1320 HydrophobicContact CB-CG 4.13Å; A1287-L1323 HydrophobicContact CB-CD1 3.95Å; A1287-L1323 HydrophobicContact CB-CD2 4.32Å; A1287-L1323 WeakPolarHBondContact O-CD2 3.28Å
1288A85Confident89.6Confident2 Ų235.8 Ų35.82%0.01718%0.179CC..Hα-helixtrans-67.8-46176.400000112.7V806 T809 C1284 T1285 H1286 R1290 I1319V806-A1288 HydrophobicContact CG2-CB 3.92Å; T809-A1288 PolarHBondContact OG1-O 3.33Å; C1284-A1288 PolarHBondContact O-N 3.15Å; T1285-A1288 PolarHBondContact O-N 2.87Å; H1286-A1288 VanDerWaalsContact C-N 3.3Å; H1286-A1288 PolarHBondContact O-N 2.91Å; A1288-R1290 VanDerWaalsContact C-N 3.31Å; A1288-R1290 PolarHBondContact O-N 3.25Å; A1288-I1319 HydrophobicContact CB-CD1 3.8Å; A1288-I1319 HydrophobicContact CB-CG2 4.32Å
1289L84.4Confident89.4Confident60 Ų6034 Ų3431%0.31417%0.171SC..Hα-helixtrans-61.2-37.7-179.8-73.4174.6000113.1N802 A805 T1285 H1286N802-L1289 HydrophobicContact CB-CD2 3.99Å; A805-L1289 HydrophobicContact CB-CD2 3.51Å; T1285-L1289 HydrophobicContact CG2-CD1 4.17Å; T1285-L1289 HydrophobicContact CG2-CG 4.44Å; T1285-L1289 WeakPolarHBondContact O-CB 3.41Å; T1285-L1289 VanDerWaalsContact O-CG 3.25Å; T1285-L1289 WeakPolarHBondContact O-CG 3.44Å; T1285-L1289 PolarHBondContact O-N 3.44Å; H1286-L1289 PolarHBondContact O-N 2.92Å
1290R85.9Confident89.2Confident111 Ų11136 Ų3642%0.41918%0.184SC..THydrogen-bonded Turntrans-106.69.8-173.5-64-61.4-175.1176.4-3.5113.8H1286 A1288 R1292 D1293 L1294H1286-R1290 WeakPolarHBondContact O-CB 3.28Å; H1286-R1290 PolarHBondContact O-N 2.88Å; A1288-R1290 VanDerWaalsContact C-N 3.31Å; A1288-R1290 PolarHBondContact O-N 3.25Å; R1290-R1292 PolarHBondContact O-N 3.38Å; R1290-D1293 VanDerWaalsContact CD-OD2 3.24Å; R1290-D1293 WeakPolarHBondContact CD-OD2 3.41Å; R1290-D1293 IonicContact CZ-OD2 3.27Å; R1290-D1293 IonicContact NE-OD2 2.77Å; R1290-D1293 IonicContact NH1-OD2 2.95Å; R1290-D1293 PolarHBondContact NH1-OD2 2.78Å; R1290-D1293 PolarHBondContact O-N 2.93Å; R1290-L1294 HydrophobicContact CB-CD1 4.21Å; R1290-L1294 HydrophobicContact CB-CG 4.24Å; R1290-L1294 WeakPolarHBondContact O-CB 3.5Å; R1290-L1294 VanDerWaalsContact O-CG 3.29Å; R1290-L1294 WeakPolarHBondContact O-CG 3.42Å; R1290-L1294 PolarHBondContact O-N 3.49Å
1291R88.3Confident89.1Confident4 Ų436 Ų362%0.01518%0.184CC..Hα-helixtrans-53-51.5-176178.3178.3-177.7-80.7-12.9112.3T809 L813 A1287 D1293 L1294 V1295 L1322 L1323T809-R1291 HydrophobicContact CG2-CB 4.47Å; L813-R1291 VanDerWaalsContact CD2-CZ 3.43Å; A1287-R1291 WeakPolarHBondContact O-CA 3.42Å; A1287-R1291 WeakPolarHBondContact O-CB 3.28Å; A1287-R1291 PolarHBondContact O-N 3.47Å; A1287-R1291 VanDerWaalsContact O-N 3.07Å; R1291-D1293 VanDerWaalsContact C-N 3.35Å; R1291-D1293 PolarHBondContact O-N 3.26Å; R1291-L1294 PolarHBondContact O-N 3.4Å; R1291-V1295 HydrophobicContact CG-CG2 4.05Å; R1291-V1295 WeakPolarHBondContact O-CB 3.36Å; R1291-V1295 VanDerWaalsContact O-CG2 3.27Å; R1291-V1295 WeakPolarHBondContact O-CG2 3.37Å; R1291-V1295 PolarHBondContact O-N 2.66Å; R1291-L1322 PolarHBondContact NE-O 3.11Å; R1291-L1322 PolarHBondContact NH2-O 3.08Å; R1291-L1323 HydrophobicContact CB-CD2 3.98Å; R1291-L1323 HydrophobicContact CG-CD2 3.95Å
1292R84.9Confident89Confident104 Ų10436 Ų3639%0.39218%0.184SC..Hα-helixtrans-57.1-50-178.5-73.5-175.6174.6155.53.2111.2E808 D812 R1290 L1294 V1295 Q1296E808-R1292 IonicContact OE2-CZ 3.01Å; E808-R1292 IonicContact OE2-NH1 3.32Å; E808-R1292 PolarHBondContact OE2-NH1 3.34Å; E808-R1292 IonicContact OE2-NH2 2.67Å; D812-R1292 VanDerWaalsContact CG-NH2 3.27Å; D812-R1292 IonicContact OD1-CZ 3.18Å; D812-R1292 IonicContact OD1-NE 3.81Å; D812-R1292 IonicContact OD1-NH2 2.74Å; D812-R1292 PolarHBondContact OD1-NH2 3.45Å; D812-R1292 IonicContact OD2-CZ 2.93Å; D812-R1292 IonicContact OD2-NE 3.97Å; D812-R1292 PolarHBondContact OD2-NE 2.72Å; D812-R1292 IonicContact OD2-NH2 3.72Å; D812-R1292 PolarHBondContact OD2-NH2 2.68Å; R1290-R1292 PolarHBondContact O-N 3.38Å; R1292-L1294 PolarHBondContact O-N 3.09Å; R1292-V1295 PolarHBondContact O-N 3Å; R1292-Q1296 VanDerWaalsContact O-CB 3.27Å; R1292-Q1296 WeakPolarHBondContact O-CB 3.29Å; R1292-Q1296 PolarHBondContact O-N 3.32Å
1293D86.8Confident89.2Confident67 Ų6736.1 Ų36.136%0.35818%0.184SC..Hα-helixtrans-57.8-49178.1-56.1-13.2000110.7R1290 R1291 Q1296 L1297R1290-D1293 VanDerWaalsContact CD-OD2 3.24Å; R1290-D1293 WeakPolarHBondContact CD-OD2 3.41Å; R1290-D1293 IonicContact CZ-OD2 3.27Å; R1290-D1293 IonicContact NE-OD2 2.77Å; R1290-D1293 IonicContact NH1-OD2 2.95Å; R1290-D1293 PolarHBondContact NH1-OD2 2.78Å; R1290-D1293 PolarHBondContact O-N 2.93Å; R1291-D1293 VanDerWaalsContact C-N 3.35Å; R1291-D1293 PolarHBondContact O-N 3.26Å; D1293-Q1296 PolarHBondContact O-N 3.12Å; D1293-L1297 VanDerWaalsContact O-CB 3.27Å; D1293-L1297 WeakPolarHBondContact O-CB 3.41Å; D1293-L1297 WeakPolarHBondContact O-CG 3.09Å; D1293-L1297 PolarHBondContact O-N 2.85Å
1294L89.7Confident89.4Confident6 Ų635.5 Ų35.53%0.03118%0.18CC..Hα-helixtrans-63.9-44.1-178.7-69.5173.6000112.8L1273 M1282 R1290 R1291 R1292 L1297 G1298 F1299 L1323L1273-L1294 HydrophobicContact CD2-CD2 3.68Å; L1273-L1294 HydrophobicContact CG-CD2 4.47Å; M1282-L1294 HydrophobicContact CE-CD1 4.13Å; M1282-L1294 HydrophobicContact SD-CD1 4.42Å; R1290-L1294 HydrophobicContact CB-CD1 4.21Å; R1290-L1294 HydrophobicContact CB-CG 4.24Å; R1290-L1294 WeakPolarHBondContact O-CB 3.5Å; R1290-L1294 VanDerWaalsContact O-CG 3.29Å; R1290-L1294 WeakPolarHBondContact O-CG 3.42Å; R1290-L1294 PolarHBondContact O-N 3.49Å; R1291-L1294 PolarHBondContact O-N 3.4Å; R1292-L1294 PolarHBondContact O-N 3.09Å; L1294-L1297 PolarHBondContact O-N 3.47Å; L1294-G1298 PolarHBondContact O-N 3.18Å; L1294-F1299 HydrophobicContact CB-CB 4.06Å; L1294-F1299 HydrophobicContact CB-CD1 4.41Å; L1294-F1299 HydrophobicContact CB-CG 4.47Å; L1294-F1299 HydrophobicContact CD2-CB 4.31Å; L1294-F1299 HydrophobicContact CD2-CD1 4.4Å; L1294-F1299 HydrophobicContact CD2-CG 4.17Å; L1294-F1299 WeakPolarHBondContact O-CB 3.41Å; L1294-F1299 PolarHBondContact O-N 2.95Å; L1294-L1323 HydrophobicContact CD1-CD1 4.16Å; L1294-L1323 HydrophobicContact CD1-CD2 4Å
1295V87.7Confident89.8Confident22 Ų2235.4 Ų35.413%0.13318%0.18CC..Hα-helixtrans-66.5-44179171.40000110.6R1291 R1292 L1297 G1298 L1323 N1325R1291-V1295 HydrophobicContact CG-CG2 4.05Å; R1291-V1295 WeakPolarHBondContact O-CB 3.36Å; R1291-V1295 VanDerWaalsContact O-CG2 3.27Å; R1291-V1295 WeakPolarHBondContact O-CG2 3.37Å; R1291-V1295 PolarHBondContact O-N 2.66Å; R1292-V1295 PolarHBondContact O-N 3Å; V1295-L1297 VanDerWaalsContact C-N 3.28Å; V1295-L1297 PolarHBondContact O-N 3.1Å; V1295-G1298 PolarHBondContact O-N 3.3Å; V1295-L1323 WeakPolarHBondContact CG2-O 3.4Å; V1295-N1325 WeakPolarHBondContact CG1-ND2 3.49Å; V1295-N1325 WeakPolarHBondContact CG1-OD1 3.45Å
1296Q87.6Confident90.4Very high171 Ų17133.6 Ų33.680%0.79917%0.168SC*.Hα-helixtrans-64-35.6177.6-174.5176.66.900111.9R1292 D1293 G1298R1292-Q1296 VanDerWaalsContact O-CB 3.27Å; R1292-Q1296 WeakPolarHBondContact O-CB 3.29Å; R1292-Q1296 PolarHBondContact O-N 3.32Å; D1293-Q1296 PolarHBondContact O-N 3.12Å; Q1296-G1298 PolarHBondContact O-N 2.98Å
1297L89.4Confident90.7Very high50 Ų5032.8 Ų32.826%0.26217%0.165SC..THydrogen-bonded Turntrans-70.3-8.7173.4-74.2174.6000113.5N1270 L1273 I1274 D1293 L1294 V1295N1270-L1297 HydrophobicContact CB-CD2 3.98Å; L1273-L1297 HydrophobicContact CD2-CD1 4.34Å; I1274-L1297 HydrophobicContact CD1-CB 4.04Å; I1274-L1297 HydrophobicContact CD1-CD2 4.4Å; I1274-L1297 WeakPolarHBondContact CD1-O 3.47Å; I1274-L1297 HydrophobicContact CG1-CB 4.39Å; I1274-L1297 WeakPolarHBondContact CG1-O 3.15Å; D1293-L1297 VanDerWaalsContact O-CB 3.27Å; D1293-L1297 WeakPolarHBondContact O-CB 3.41Å; D1293-L1297 WeakPolarHBondContact O-CG 3.09Å; D1293-L1297 PolarHBondContact O-N 2.85Å; L1294-L1297 PolarHBondContact O-N 3.47Å; V1295-L1297 VanDerWaalsContact C-N 3.28Å; V1295-L1297 PolarHBondContact O-N 3.1Å
1298G88.5Confident90.9Very high40 Ų4033.9 Ų33.941%0.41217%0.17SC..THydrogen-bonded Turntrans72.831.8-176.600000113.3L1294 V1295 Q1296 T1300L1294-G1298 PolarHBondContact O-N 3.18Å; V1295-G1298 PolarHBondContact O-N 3.3Å; Q1296-G1298 PolarHBondContact O-N 2.98Å; G1298-T1300 PolarHBondContact O-N 3.38Å
1299F91.5Very high91.4Very high1 Ų133.8 Ų33.80%0.00417%0.169CC..  trans-61.5127.4175.6-176.7-112.8000110.9L1043 L1273 I1280 L1294 Y1301 L1323 Q1324L1043-F1299 HydrophobicContact CD1-CE1 4.29Å; L1043-F1299 HydrophobicContact CD1-CZ 4.17Å; L1043-F1299 HydrophobicContact CD2-CE1 4.3Å; L1273-F1299 HydrophobicContact CD1-CD2 4.05Å; L1273-F1299 HydrophobicContact CD1-CE2 3.84Å; L1273-F1299 HydrophobicContact CG-CD2 4.22Å; I1280-F1299 HydrophobicContact CB-CZ 4.34Å; I1280-F1299 HydrophobicContact CD1-CE2 4.16Å; I1280-F1299 HydrophobicContact CD1-CZ 4.37Å; I1280-F1299 HydrophobicContact CG1-CE2 4.18Å; I1280-F1299 HydrophobicContact CG1-CZ 4.39Å; I1280-F1299 HydrophobicContact CG2-CZ 4.26Å; L1294-F1299 HydrophobicContact CB-CB 4.06Å; L1294-F1299 HydrophobicContact CB-CD1 4.41Å; L1294-F1299 HydrophobicContact CB-CG 4.47Å; L1294-F1299 HydrophobicContact CD2-CB 4.31Å; L1294-F1299 HydrophobicContact CD2-CD1 4.4Å; L1294-F1299 HydrophobicContact CD2-CG 4.17Å; L1294-F1299 WeakPolarHBondContact O-CB 3.41Å; L1294-F1299 PolarHBondContact O-N 2.95Å; F1299-Y1301 AromaticContact CD1-CD1 3.91Å; F1299-Y1301 HydrophobicContact CD1-CD1 3.91Å; F1299-Y1301 AromaticContact CD1-CE1 3.98Å; F1299-Y1301 HydrophobicContact CD1-CE1 3.98Å; F1299-Y1301 AromaticContact CE1-CD1 3.47Å; F1299-Y1301 HydrophobicContact CE1-CD1 3.47Å; F1299-Y1301 VanDerWaalsContact CE1-CD1 3.47Å; F1299-Y1301 AromaticContact CE1-CE1 3.77Å; F1299-Y1301 HydrophobicContact CE1-CE1 3.77Å; F1299-Y1301 HydrophobicContact CZ-CD1 4.07Å; F1299-L1323 HydrophobicContact CD1-CB 4.22Å; F1299-L1323 HydrophobicContact CE1-CD1 4.41Å; F1299-Q1324 WeakPolarHBondContact O-CA 3.5Å; F1299-Q1324 VanDerWaalsContact O-CB 3.24Å; F1299-Q1324 WeakPolarHBondContact O-CB 3.1Å
1300T92.1Very high91.8Very high42 Ų4231 Ų3126%0.25816%0.155SC..  trans-140.7150.7-177.255.60000111.4R1041 G1298 Q1324R1041-T1300 WeakPolarHBondContact CD-O 3.4Å; R1041-T1300 PolarHBondContact NH1-O 2.9Å; G1298-T1300 PolarHBondContact O-N 3.38Å; T1300-Q1324 HydrophobicContact CG2-CB 4.21Å
1301Y94.4Very high92.2Very high0 Ų027.1 Ų27.10%014%0.141CC..  trans-153.6155.7-178.448.5-88.8000112.1L1043 F1299 I1304 P1320 L1323 Q1324 L1334L1043-Y1301 HydrophobicContact CB-CD1 4.34Å; L1043-Y1301 HydrophobicContact CB-CD2 4.21Å; L1043-Y1301 HydrophobicContact CB-CG 3.96Å; L1043-Y1301 HydrophobicContact CD2-CD1 4.03Å; L1043-Y1301 HydrophobicContact CD2-CD2 4.4Å; L1043-Y1301 HydrophobicContact CD2-CE1 3.91Å; L1043-Y1301 HydrophobicContact CD2-CE2 4.28Å; L1043-Y1301 HydrophobicContact CD2-CG 4.3Å; F1299-Y1301 AromaticContact CD1-CD1 3.91Å; F1299-Y1301 HydrophobicContact CD1-CD1 3.91Å; F1299-Y1301 AromaticContact CD1-CE1 3.98Å; F1299-Y1301 HydrophobicContact CD1-CE1 3.98Å; F1299-Y1301 AromaticContact CE1-CD1 3.47Å; F1299-Y1301 HydrophobicContact CE1-CD1 3.47Å; F1299-Y1301 VanDerWaalsContact CE1-CD1 3.47Å; F1299-Y1301 AromaticContact CE1-CE1 3.77Å; F1299-Y1301 HydrophobicContact CE1-CE1 3.77Å; F1299-Y1301 HydrophobicContact CZ-CD1 4.07Å; Y1301-I1304 HydrophobicContact CD2-CD1 4.1Å; Y1301-I1304 HydrophobicContact CD2-CG1 3.66Å; Y1301-I1304 HydrophobicContact CE2-CD1 3.3Å; Y1301-I1304 HydrophobicContact CE2-CG1 3.4Å; Y1301-P1320 PolarHBondContact OH-O 3.32Å; Y1301-L1323 HydrophobicContact CE1-CB 3.9Å; Y1301-Q1324 HydrophobicContact CE1-CB 4.13Å; Y1301-Q1324 HydrophobicContact CE1-CG 4.15Å; Y1301-Q1324 VanDerWaalsContact CE2-NE2 3.3Å; Y1301-Q1324 PolarHBondContact O-NE2 3.29Å; Y1301-Q1324 PolarHBondContact O-OE1 2.83Å; Y1301-L1334 HydrophobicContact CD2-CD1 4.15Å; Y1301-L1334 HydrophobicContact CE2-CD1 4.07Å
1302D95.7Very high92.4Very high0 Ų027 Ų270%014%0.141CC..SBendtrans-100.7-29.6-176.1-64.7-98.3000112.2Q1040 R1041 R1333 K1335 R1336Q1040-D1302 WeakPolarHBondContact CA-OD2 3.36Å; Q1040-D1302 HydrophobicContact CB-CB 3.88Å; Q1040-D1302 HydrophobicContact CG-CB 4.15Å; R1041-D1302 PolarHBondContact N-OD2 2.92Å; R1041-D1302 VanDerWaalsContact N-OD2 3.09Å; R1041-D1302 PolarHBondContact O-N 3.49Å; D1302-R1333 IonicContact OD1-CZ 3.45Å; D1302-R1333 IonicContact OD1-NE 3.83Å; D1302-R1333 PolarHBondContact OD1-NE 3.14Å; D1302-R1333 IonicContact OD1-NH2 2.66Å; D1302-R1333 IonicContact OD2-CZ 3.4Å; D1302-R1333 IonicContact OD2-NE 2.86Å; D1302-R1333 PolarHBondContact OD2-NE 2.94Å; D1302-R1333 IonicContact OD2-NH2 3.81Å; D1302-R1333 PolarHBondContact OD2-NH2 3.23Å; D1302-K1335 HydrophobicContact CB-CD 4.47Å; D1302-K1335 PolarHBondContact O-N 3.37Å; D1302-K1335 IonicContact OD1-NZ 3.79Å; D1302-K1335 PolarHBondContact OD1-NZ 3.5Å; D1302-R1336 PolarHBondContact O-N 3.39Å; D1302-R1336 VanDerWaalsContact O-N 3.14Å
1303T97.6Very high92.8Very high1 Ų122.8 Ų22.81%0.00613%0.126CC..EExtended strand (participates in β ladder)trans-131.1133.6-177.7-58.30000110.5L1033 R1041 I1042 L1043 R1336 I1338L1033-T1303 HydrophobicContact CD1-CG2 3.82Å; R1041-T1303 PolarHBondContact O-N 2.7Å; I1042-T1303 WeakPolarHBondContact CA-O 3.48Å; I1042-T1303 HydrophobicContact CG2-CG2 4.34Å; L1043-T1303 PolarHBondContact N-O 3.46Å; T1303-R1336 WeakPolarHBondContact CA-O 3.16Å; T1303-R1336 HydrophobicContact CG2-CB 3.85Å; T1303-R1336 PolarHBondContact OG1-NE 2.97Å; T1303-R1336 PolarHBondContact OG1-NH2 3.46Å; T1303-R1336 VanDerWaalsContact OG1-NH2 3.11Å; T1303-I1338 HydrophobicContact CG2-CD1 4.01Å
1304I97.3Very high93.1Very high0 Ų019.8 Ų19.80%011%0.11CC..EExtended strand (participates in β ladder)trans-108.5128.6165.5-69.2168000108.7L1043 Y1301 M1306 P1320 L1321 L1334 R1336 I1338L1043-I1304 HydrophobicContact CB-CG1 4.35Å; L1043-I1304 HydrophobicContact CD2-CG1 4.26Å; L1043-I1304 CarbonylContact O-C 3.55Å; L1043-I1304 WeakPolarHBondContact O-CA 3.32Å; Y1301-I1304 HydrophobicContact CD2-CD1 4.1Å; Y1301-I1304 HydrophobicContact CD2-CG1 3.66Å; Y1301-I1304 HydrophobicContact CE2-CD1 3.3Å; Y1301-I1304 HydrophobicContact CE2-CG1 3.4Å; I1304-M1306 HydrophobicContact CG2-CE 3.81Å; I1304-M1306 HydrophobicContact CG2-CG 3.86Å; I1304-M1306 HydrophobicContact CG2-SD 4.25Å; I1304-P1320 WeakPolarHBondContact CD1-O 3Å; I1304-L1321 HydrophobicContact CD1-CD2 3.72Å; I1304-L1321 HydrophobicContact CD1-CG 4.49Å; I1304-L1334 HydrophobicContact CB-CD1 4.38Å; I1304-L1334 HydrophobicContact CD1-CD1 3.91Å; I1304-L1334 HydrophobicContact CD1-CD2 4.07Å; I1304-L1334 HydrophobicContact CG1-CD1 3.89Å; I1304-R1336 PolarHBondContact N-O 2.91Å; I1304-I1338 PolarHBondContact O-N 2.86Å
1305L98Very high93.2Very high1 Ų119.6 Ų19.61%0.00511%0.109CC..EExtended strand (participates in β ladder)trans-114.8123.8167.6-175.3146.6000109.7A1026 I1030 L1043 I1044 V1045 L1055 I1338A1026-L1305 HydrophobicContact CB-CD1 3.95Å; A1026-L1305 HydrophobicContact CB-CD2 4.16Å; I1030-L1305 HydrophobicContact CD1-CD1 4.04Å; I1030-L1305 HydrophobicContact CG1-CD1 4.01Å; L1043-L1305 PolarHBondContact O-N 2.62Å; I1044-L1305 WeakPolarHBondContact CA-O 3.4Å; I1044-L1305 HydrophobicContact CG2-CD2 4.3Å; V1045-L1305 PolarHBondContact N-O 3.46Å; L1055-L1305 HydrophobicContact CD2-CD2 4Å; L1305-I1338 CarbonylContact C-O 3.56Å; L1305-I1338 WeakPolarHBondContact CA-O 3.47Å; L1305-I1338 HydrophobicContact CD1-CG2 4.5Å
1306M96.8Very high93.5Very high0 Ų020.3 Ų20.30%011%0.111CC..EExtended strand (participates in β ladder)trans-115.7112.8177.5-73169.1174.100110.4V1045 I1304 A1309 T1317 P1320 W1337 I1338 M1339 I1340V1045-M1306 HydrophobicContact CB-CG 4.22Å; V1045-M1306 VanDerWaalsContact O-CA 3.28Å; V1045-M1306 WeakPolarHBondContact O-CA 3.48Å; I1304-M1306 HydrophobicContact CG2-CE 3.81Å; I1304-M1306 HydrophobicContact CG2-CG 3.86Å; I1304-M1306 HydrophobicContact CG2-SD 4.25Å; M1306-A1309 HydrophobicContact CB-CB 4.18Å; M1306-T1317 HydrophobicContact CE-CG2 4.05Å; M1306-T1317 WeakPolarHBondContact CE-O 3.37Å; M1306-T1317 HydrophobicContact SD-CG2 3.53Å; M1306-T1317 VanDerWaalsContact SD-CG2 3.53Å; M1306-P1320 HydrophobicContact CE-CB 3.61Å; M1306-P1320 HydrophobicContact CE-CG 3.82Å; M1306-W1337 HydrophobicContact SD-CZ2 4.12Å; M1306-W1337 PolarHBondContact SD-NE1 3.34Å; M1306-I1338 PolarHBondContact N-O 3.35Å; M1306-M1339 HydrophobicContact SD-CG 4.46Å; M1306-I1340 PolarHBondContact O-N 3.28Å
1307E93.6Very high93.7Very high6 Ų612.2 Ų12.23%0.0287%0.073CC..EExtended strand (participates in β ladder)trans-95.8145173.5-160.9-172.1-167.800111T1023 V1045 T1046 L1055 A1309 I1340T1023-E1307 WeakPolarHBondContact CA-OE1 3.44Å; T1023-E1307 WeakPolarHBondContact CB-OE1 3.4Å; T1023-E1307 PolarHBondContact OG1-OE1 2.67Å; V1045-E1307 PolarHBondContact O-N 3.47Å; T1046-E1307 HydrophobicContact CG2-CB 4Å; L1055-E1307 HydrophobicContact CD2-CB 4.3Å; E1307-A1309 PolarHBondContact O-N 3.05Å; E1307-I1340 CarbonylContact C-O 3.45Å
1308E93.2Very high93.7Very high23 Ų2310 Ų1011%0.1076%0.061CC..THydrogen-bonded Turntrans57.336.5-174.1-66.1-65159.100112.3K1022 H1047 A1310 Q1311 I1340K1022-E1308 WeakPolarHBondContact CE-OE1 3.27Å; H1047-E1308 VanDerWaalsContact ND1-CB 3.28Å; H1047-E1308 WeakPolarHBondContact ND1-CB 3.35Å; E1308-A1310 PolarHBondContact O-N 3.17Å; E1308-Q1311 PolarHBondContact O-N 3.18Å; E1308-Q1311 PolarHBondContact OE2-NE2 3.32Å; E1308-I1340 WeakPolarHBondContact CA-O 3.17Å; E1308-I1340 PolarHBondContact N-O 3.31Å
1309A95.5Very high93.8Very high0 Ų08 Ų80%04%0.042CC..G310 helixtrans-60.8-21.2-175.700000113.9M1306 E1307 Q1311 M1339 I1340 F1366M1306-A1309 HydrophobicContact CB-CB 4.18Å; E1307-A1309 PolarHBondContact O-N 3.05Å; A1309-Q1311 PolarHBondContact O-N 2.99Å; A1309-M1339 HydrophobicContact CB-CB 4.11Å; A1309-M1339 HydrophobicContact CB-CE 3.82Å; A1309-I1340 PolarHBondContact N-O 2.91Å; A1309-F1366 HydrophobicContact CB-CB 4.12Å; A1309-F1366 HydrophobicContact CB-CD2 4.09Å; A1309-F1366 HydrophobicContact CB-CG 4.32Å
1310A94.5Very high93.8Very high3 Ų38 Ų83%0.0254%0.041CC..G310 helixtrans-68.3-19.3176.200000113.6E1308 D1342 P1348 S1364 F1366E1308-A1310 PolarHBondContact O-N 3.17Å; A1310-D1342 WeakPolarHBondContact CB-O 3.28Å; A1310-P1348 WeakPolarHBondContact O-CD 3.31Å; A1310-S1364 WeakPolarHBondContact CA-OG 3.26Å; A1310-S1364 VanDerWaalsContact O-CB 3.27Å; A1310-S1364 WeakPolarHBondContact O-CB 3.4Å; A1310-S1364 PolarHBondContact O-OG 3.37Å; A1310-F1366 HydrophobicContact CB-CD1 3.8Å; A1310-F1366 HydrophobicContact CB-CE1 4.35Å; A1310-F1366 HydrophobicContact CB-CG 4.43Å
1311Q92.6Very high93.6Very high28 Ų286 Ų613%0.1313%0.029CC..G310 helixtrans-98.8-0.4-177-61.3-176.646.800113.9H1047 E1308 A1309 P1348 Q1510H1047-Q1311 PolarHBondContact NE2-OE1 2.88Å; E1308-Q1311 PolarHBondContact O-N 3.18Å; E1308-Q1311 PolarHBondContact OE2-NE2 3.32Å; A1309-Q1311 PolarHBondContact O-N 2.99Å; Q1311-P1348 WeakPolarHBondContact O-CA 3.31Å; Q1311-P1348 WeakPolarHBondContact O-CB 3.25Å; Q1311-Q1510 VanDerWaalsContact CD-CD 3.49Å; Q1311-Q1510 VanDerWaalsContact NE2-CD 3.34Å
1312I93.3Very high93.2Very high1 Ų16.2 Ų6.21%0.0053%0.03CC..SBendtrans-98.6137.5-176.9-54.9169.7000109.5H1047 C1284 E1316 T1317 P1348 S1364H1047-I1312 HydrophobicContact CB-CD1 4.12Å; H1047-I1312 HydrophobicContact CB-CG1 3.47Å; H1047-I1312 VanDerWaalsContact CB-CG1 3.47Å; C1284-I1312 HydrophobicContact CB-CG2 4.25Å; I1312-E1316 HydrophobicContact CG2-CB 3.63Å; I1312-T1317 WeakPolarHBondContact CB-OG1 3.36Å; I1312-T1317 VanDerWaalsContact CG2-OG1 3.25Å; I1312-T1317 WeakPolarHBondContact CG2-OG1 3.4Å; I1312-P1348 WeakPolarHBondContact O-CG 3.33Å; I1312-S1364 WeakPolarHBondContact O-CA 3.24Å; I1312-S1364 WeakPolarHBondContact O-CB 3.35Å
1313L93.3Very high92.8Very high17 Ų176.2 Ų6.29%0.0893%0.03CC..  trans-59.5152.9173.4-69170.9000110.6F564 I1315 E1316 T1317 P1348 V1350 M1361F564-L1313 HydrophobicContact CE2-CD1 4.43Å; L1313-I1315 PolarHBondContact O-N 3.25Å; L1313-E1316 HydrophobicContact CB-CB 4.31Å; L1313-E1316 HydrophobicContact CB-CG 4.11Å; L1313-E1316 WeakPolarHBondContact CB-OE2 3.43Å; L1313-E1316 PolarHBondContact O-N 3.35Å; L1313-T1317 PolarHBondContact O-N 3.47Å; L1313-T1317 PolarHBondContact O-OG1 2.89Å; L1313-P1348 HydrophobicContact CD2-CB 3.62Å; L1313-P1348 HydrophobicContact CD2-CG 4.33Å; L1313-P1348 HydrophobicContact CG-CB 3.98Å; L1313-V1350 HydrophobicContact CD2-CG2 4.16Å; L1313-M1361 HydrophobicContact CD1-CE 4.46Å; L1313-M1361 HydrophobicContact CD2-CG 4.46Å; L1313-M1361 VanDerWaalsContact CD2-O 3.31Å; L1313-M1361 WeakPolarHBondContact CD2-O 3.35Å
1314E93.7Very high92.2Very high3 Ų36.2 Ų6.21%0.0143%0.03CC..Hα-helixtrans-57.3-50.1-175.3-152.1-176.6161.100112.2Y556 E1316 T1317 F1318 L1365 R1368Y556-E1314 HydrophobicContact CE2-CG 4.28Å; Y556-E1314 VanDerWaalsContact CE2-OE1 3.24Å; Y556-E1314 WeakPolarHBondContact CE2-OE1 3.42Å; Y556-E1314 VanDerWaalsContact OH-CG 3.28Å; Y556-E1314 WeakPolarHBondContact OH-CG 3.31Å; E1314-E1316 VanDerWaalsContact C-N 3.34Å; E1314-E1316 PolarHBondContact O-N 3.39Å; E1314-T1317 WeakPolarHBondContact O-CB 3.49Å; E1314-T1317 PolarHBondContact O-N 2.99Å; E1314-F1318 WeakPolarHBondContact O-CB 3.49Å; E1314-F1318 PolarHBondContact O-N 2.97Å; E1314-L1365 HydrophobicContact CG-CB 3.66Å; E1314-L1365 HydrophobicContact CG-CD1 3.95Å; E1314-L1365 HydrophobicContact CG-CG 4.25Å; E1314-R1368 WeakPolarHBondContact OE1-CD 3.37Å; E1314-R1368 IonicContact OE1-CZ 3.97Å; E1314-R1368 IonicContact OE1-NE 3.16Å; E1314-R1368 PolarHBondContact OE1-NE 2.94Å; E1314-R1368 IonicContact OE1-NH2 2.76Å; E1314-R1368 IonicContact OE2-NE 2.8Å
1315I92Very high91.4Very high3 Ų39.7 Ų9.72%0.0155%0.049CC..Hα-helixtrans-64.2-36179.4-168.356.6000113.2L557 N560 I810 L1313 T1317 F1318 I1319L557-I1315 HydrophobicContact CD2-CD1 3.98Å; N560-I1315 HydrophobicContact CB-CB 4.07Å; N560-I1315 HydrophobicContact CB-CD1 4.22Å; N560-I1315 HydrophobicContact CB-CG1 4.15Å; I810-I1315 HydrophobicContact CD1-CD1 4.46Å; I810-I1315 HydrophobicContact CD1-CG1 3.68Å; I810-I1315 HydrophobicContact CG1-CD1 4.04Å; I810-I1315 HydrophobicContact CG1-CG1 3.67Å; L1313-I1315 PolarHBondContact O-N 3.25Å; I1315-T1317 VanDerWaalsContact C-N 3.31Å; I1315-T1317 PolarHBondContact O-N 3.37Å; I1315-F1318 HydrophobicContact CD1-CB 4.43Å; I1315-F1318 HydrophobicContact CD1-CD1 4.14Å; I1315-F1318 WeakPolarHBondContact O-CB 3.38Å; I1315-F1318 PolarHBondContact O-N 3.29Å; I1315-F1318 VanDerWaalsContact O-N 3.13Å; I1315-I1319 WeakPolarHBondContact O-CG1 3.37Å; I1315-I1319 PolarHBondContact O-N 2.69Å
1316E92.3Very high90.2Very high37 Ų3712.1 Ų12.117%0.1737%0.065CC..Hα-helixtrans-70.3-29.2177.3-67.6-174.2125.600112.4C1284 I1312 L1313 E1314 F1318 P1320C1284-E1316 HydrophobicContact CB-CB 4.28Å; C1284-E1316 PolarHBondContact SG-O 3.38Å; C1284-E1316 VanDerWaalsContact SG-O 3.4Å; I1312-E1316 HydrophobicContact CG2-CB 3.63Å; L1313-E1316 HydrophobicContact CB-CB 4.31Å; L1313-E1316 HydrophobicContact CB-CG 4.11Å; L1313-E1316 WeakPolarHBondContact CB-OE2 3.43Å; L1313-E1316 PolarHBondContact O-N 3.35Å; E1314-E1316 VanDerWaalsContact C-N 3.34Å; E1314-E1316 PolarHBondContact O-N 3.39Å; E1316-F1318 VanDerWaalsContact C-N 3.33Å; E1316-P1320 WeakPolarHBondContact O-CD 3.44Å
1317T92.4Very high89Confident0 Ų016.2 Ų16.20%09%0.086CC..Hα-helixtrans-73-31.7170.9-50.80000110.9M1306 I1312 L1313 E1314 I1315 P1320 W1337 M1339 L1365M1306-T1317 HydrophobicContact CE-CG2 4.05Å; M1306-T1317 WeakPolarHBondContact CE-O 3.37Å; M1306-T1317 HydrophobicContact SD-CG2 3.53Å; M1306-T1317 VanDerWaalsContact SD-CG2 3.53Å; I1312-T1317 WeakPolarHBondContact CB-OG1 3.36Å; I1312-T1317 VanDerWaalsContact CG2-OG1 3.25Å; I1312-T1317 WeakPolarHBondContact CG2-OG1 3.4Å; L1313-T1317 PolarHBondContact O-N 3.47Å; L1313-T1317 PolarHBondContact O-OG1 2.89Å; E1314-T1317 WeakPolarHBondContact O-CB 3.49Å; E1314-T1317 PolarHBondContact O-N 2.99Å; I1315-T1317 VanDerWaalsContact C-N 3.31Å; I1315-T1317 PolarHBondContact O-N 3.37Å; T1317-P1320 WeakPolarHBondContact O-CD 3.39Å; T1317-W1337 HydrophobicContact CG2-CZ2 4.1Å; T1317-M1339 HydrophobicContact CG2-CE 3.68Å; T1317-L1365 HydrophobicContact CG2-CB 4.04Å; T1317-L1365 HydrophobicContact CG2-CD2 4.02Å
1318F90.4Very high87.9Confident3 Ų324.8 Ų24.81%0.01313%0.131CC..Hα-helixtrans-75.9-38.5-178-168.9-112000112.9L553 Y556 L557 V820 L828 E1314 I1315 E1316 L1321 L1322L553-F1318 HydrophobicContact CD1-CE1 3.95Å; L553-F1318 HydrophobicContact CD1-CE2 4.45Å; L553-F1318 HydrophobicContact CD1-CZ 3.51Å; Y556-F1318 AromaticContact CE1-CD1 3.93Å; Y556-F1318 HydrophobicContact CE1-CD1 3.93Å; Y556-F1318 HydrophobicContact CE1-CD2 4.29Å; Y556-F1318 HydrophobicContact CE1-CE1 4.11Å; Y556-F1318 HydrophobicContact CE1-CG 4.02Å; Y556-F1318 HydrophobicContact CE1-CZ 4.43Å; L557-F1318 HydrophobicContact CD2-CD1 4.22Å; L557-F1318 HydrophobicContact CD2-CE1 3.92Å; V820-F1318 HydrophobicContact CG2-CE2 3.81Å; V820-F1318 HydrophobicContact CG2-CZ 3.5Å; L828-F1318 HydrophobicContact CD1-CD2 4.15Å; L828-F1318 HydrophobicContact CD1-CE2 3.69Å; E1314-F1318 WeakPolarHBondContact O-CB 3.49Å; E1314-F1318 PolarHBondContact O-N 2.97Å; I1315-F1318 HydrophobicContact CD1-CB 4.43Å; I1315-F1318 HydrophobicContact CD1-CD1 4.14Å; I1315-F1318 WeakPolarHBondContact O-CB 3.38Å; I1315-F1318 PolarHBondContact O-N 3.29Å; I1315-F1318 VanDerWaalsContact O-N 3.13Å; E1316-F1318 VanDerWaalsContact C-N 3.33Å; F1318-L1321 HydrophobicContact CD2-CD1 3.94Å; F1318-L1321 HydrophobicContact CE2-CD1 4.34Å; F1318-L1321 VanDerWaalsContact O-CB 3.31Å; F1318-L1321 WeakPolarHBondContact O-CB 3.47Å; F1318-L1321 PolarHBondContact O-N 2.96Å; F1318-L1322 HydrophobicContact CD1-CD1 3.52Å; F1318-L1322 HydrophobicContact CE1-CD1 3.32Å; F1318-L1322 HydrophobicContact CE1-CG 4.41Å; F1318-L1322 HydrophobicContact CG-CD1 4.36Å; F1318-L1322 HydrophobicContact CZ-CD1 3.97Å
1319I90.2Very high86.7Confident0 Ų027.6 Ų27.60%015%0.153CC..G310 helixtrans-53.7-45.9-178.3-72.8166.1000113.6V806 T809 L813 A1287 A1288 I1315 L1321 L1322V806-I1319 HydrophobicContact CG1-CD1 4.41Å; T809-I1319 HydrophobicContact CG2-CD1 3.67Å; T809-I1319 HydrophobicContact CG2-CG1 3.72Å; T809-I1319 HydrophobicContact CG2-CG2 4.14Å; L813-I1319 HydrophobicContact CD1-CG1 4.4Å; A1287-I1319 HydrophobicContact CB-CG2 4.47Å; A1288-I1319 HydrophobicContact CB-CD1 3.8Å; A1288-I1319 HydrophobicContact CB-CG2 4.32Å; I1315-I1319 WeakPolarHBondContact O-CG1 3.37Å; I1315-I1319 PolarHBondContact O-N 2.69Å; I1319-L1321 PolarHBondContact O-N 3.47Å; I1319-L1321 VanDerWaalsContact O-N 3.13Å; I1319-L1322 CarbonylContact O-C 3.54Å; I1319-L1322 WeakPolarHBondContact O-CA 3.18Å; I1319-L1322 PolarHBondContact O-N 3.5Å
1320P90.8Very high85.5Confident0 Ų030.3 Ų30.30%018%0.18CC..G310 helixtrans-57.5-22.4175.8-29.535.8000115.5V1045 A1287 Y1301 I1304 M1306 E1316 T1317 L1322V1045-P1320 HydrophobicContact CG1-CG 4.03Å; V1045-P1320 HydrophobicContact CG2-CB 4.08Å; V1045-P1320 HydrophobicContact CG2-CG 4.28Å; A1287-P1320 HydrophobicContact CB-CG 4.13Å; Y1301-P1320 PolarHBondContact OH-O 3.32Å; I1304-P1320 WeakPolarHBondContact CD1-O 3Å; M1306-P1320 HydrophobicContact CE-CB 3.61Å; M1306-P1320 HydrophobicContact CE-CG 3.82Å; E1316-P1320 WeakPolarHBondContact O-CD 3.44Å; T1317-P1320 WeakPolarHBondContact O-CD 3.39Å; P1320-L1322 PolarHBondContact O-N 3.11Å
1321L88.3Confident84.3Confident0 Ų039 Ų390%021%0.213CC..G310 helixtrans-71.5-14.4174.3-61.9168.2000112.5L824 L828 I1304 F1318 I1319 L1334 W1337L824-L1321 HydrophobicContact CD2-CD1 4.24Å; L824-L1321 HydrophobicContact CD2-CD2 4.41Å; L828-L1321 HydrophobicContact CD1-CD1 4.36Å; I1304-L1321 HydrophobicContact CD1-CD2 3.72Å; I1304-L1321 HydrophobicContact CD1-CG 4.49Å; F1318-L1321 HydrophobicContact CD2-CD1 3.94Å; F1318-L1321 HydrophobicContact CE2-CD1 4.34Å; F1318-L1321 VanDerWaalsContact O-CB 3.31Å; F1318-L1321 WeakPolarHBondContact O-CB 3.47Å; F1318-L1321 PolarHBondContact O-N 2.96Å; I1319-L1321 PolarHBondContact O-N 3.47Å; I1319-L1321 VanDerWaalsContact O-N 3.13Å; L1321-L1334 HydrophobicContact CD2-CD2 3.65Å; L1321-W1337 HydrophobicContact CD1-CE3 4.42Å; L1321-W1337 HydrophobicContact CD1-CH2 3.79Å; L1321-W1337 HydrophobicContact CD1-CZ2 3.99Å; L1321-W1337 HydrophobicContact CD1-CZ3 4.02Å; L1321-W1337 HydrophobicContact CD2-CD2 3.79Å; L1321-W1337 HydrophobicContact CD2-CE3 4.11Å; L1321-W1337 HydrophobicContact CD2-CG 4.13Å; L1321-W1337 HydrophobicContact CD2-CZ2 4.27Å; L1321-W1337 HydrophobicContact CG-CZ2 4.41Å
1322L85.2Confident83.8Confident5 Ų539.2 Ų39.23%0.02622%0.215CC..G310 helixtrans-124.718.7-165.5-46.9167.6000112L813 V819 V820 R1291 F1318 I1319 P1320L813-L1322 HydrophobicContact CD1-CD1 3.5Å; L813-L1322 HydrophobicContact CD2-CB 3.77Å; L813-L1322 HydrophobicContact CD2-CD1 3.47Å; L813-L1322 VanDerWaalsContact CD2-CD1 3.47Å; L813-L1322 HydrophobicContact CD2-CG 4.17Å; L813-L1322 HydrophobicContact CG-CD1 4.08Å; V819-L1322 HydrophobicContact CB-CD2 3.9Å; V819-L1322 HydrophobicContact CG1-CD2 4.36Å; V820-L1322 HydrophobicContact CG2-CD2 3.85Å; R1291-L1322 PolarHBondContact NE-O 3.11Å; R1291-L1322 PolarHBondContact NH2-O 3.08Å; F1318-L1322 HydrophobicContact CD1-CD1 3.52Å; F1318-L1322 HydrophobicContact CE1-CD1 3.32Å; F1318-L1322 HydrophobicContact CE1-CG 4.41Å; F1318-L1322 HydrophobicContact CG-CD1 4.36Å; F1318-L1322 HydrophobicContact CZ-CD1 3.97Å; I1319-L1322 CarbonylContact O-C 3.54Å; I1319-L1322 WeakPolarHBondContact O-CA 3.18Å; I1319-L1322 PolarHBondContact O-N 3.5Å; P1320-L1322 PolarHBondContact O-N 3.11Å
1323L87.9Confident83.6Confident0 Ų044.3 Ų44.30%023%0.234CC..SBendtrans-77.9-8.2171.8-67.5179.7000112.5L1043 M1282 A1287 R1291 L1294 V1295 F1299 Y1301L1043-L1323 HydrophobicContact CD2-CD1 3.88Å; M1282-L1323 HydrophobicContact SD-CD1 4.03Å; A1287-L1323 HydrophobicContact CB-CD1 3.95Å; A1287-L1323 HydrophobicContact CB-CD2 4.32Å; A1287-L1323 WeakPolarHBondContact O-CD2 3.28Å; R1291-L1323 HydrophobicContact CB-CD2 3.98Å; R1291-L1323 HydrophobicContact CG-CD2 3.95Å; L1294-L1323 HydrophobicContact CD1-CD1 4.16Å; L1294-L1323 HydrophobicContact CD1-CD2 4Å; V1295-L1323 WeakPolarHBondContact CG2-O 3.4Å; F1299-L1323 HydrophobicContact CD1-CB 4.22Å; F1299-L1323 HydrophobicContact CE1-CD1 4.41Å; Y1301-L1323 HydrophobicContact CE1-CB 3.9Å
1324Q85.1Confident83.6Confident0 Ų043.7 Ų43.70%023%0.231CC..SBendtrans-122.6141.1175.165.1-173.4-21.800110V819 F1299 T1300 Y1301 N1332V819-Q1324 WeakPolarHBondContact CG1-O 3.39Å; F1299-Q1324 WeakPolarHBondContact O-CA 3.5Å; F1299-Q1324 VanDerWaalsContact O-CB 3.24Å; F1299-Q1324 WeakPolarHBondContact O-CB 3.1Å; T1300-Q1324 HydrophobicContact CG2-CB 4.21Å; Y1301-Q1324 HydrophobicContact CE1-CB 4.13Å; Y1301-Q1324 HydrophobicContact CE1-CG 4.15Å; Y1301-Q1324 VanDerWaalsContact CE2-NE2 3.3Å; Y1301-Q1324 PolarHBondContact O-NE2 3.29Å; Y1301-Q1324 PolarHBondContact O-OE1 2.83Å; Q1324-N1332 PolarHBondContact NE2-OD1 3.01Å; Q1324-N1332 VanDerWaalsContact NE2-OD1 3.07Å
1325N80.5Confident83.6Confident74 Ų7447.1 Ų47.140%0.39625%0.246SC..  trans-83.5156.2170.1-76.2-19.8000110.5V1295V1295-N1325 WeakPolarHBondContact CG1-ND2 3.49Å; V1295-N1325 WeakPolarHBondContact CG1-OD1 3.45Å
1326P73.1Confident83.8Confident52 Ų5247.1 Ų47.134%0.33825%0.245SC..  trans-62.2151.2170.728.8-33.1000110.2
1327D71.8Confident84Confident85 Ų8545.3 Ų45.346%0.45524%0.237SC..  trans-67.5176.6175.168.315.8000112S1329 G1330 R1331D1327-S1329 PolarHBondContact O-N 3.41Å; D1327-S1329 VanDerWaalsContact O-N 3.08Å; D1327-S1329 VanDerWaalsContact OD1-C 3.31Å; D1327-S1329 VanDerWaalsContact OD1-CA 3.25Å; D1327-S1329 WeakPolarHBondContact OD1-CA 3.28Å; D1327-S1329 VanDerWaalsContact OD1-CB 3.31Å; D1327-S1329 WeakPolarHBondContact OD1-CB 3.31Å; D1327-S1329 PolarHBondContact OD1-N 3.48Å; D1327-S1329 PolarHBondContact OD1-OG 2.88Å; D1327-S1329 PolarHBondContact OD2-OG 3.39Å; D1327-S1329 VanDerWaalsContact OD2-OG 3.14Å; D1327-G1330 WeakPolarHBondContact O-CA 3.3Å; D1327-G1330 PolarHBondContact O-N 2.94Å; D1327-G1330 PolarHBondContact OD1-N 3.14Å; D1327-R1331 VanDerWaalsContact CG-O 3.28Å; D1327-R1331 PolarHBondContact N-O 3.46Å; D1327-R1331 PolarHBondContact OD1-N 2.99Å
1328I69.6Low84.3Confident187 Ų18745.4 Ų45.496%0.95924%0.237SC*.THydrogen-bonded Turntrans-57.1-25.9177.4-60.6164.1000111.6G1330I1328-G1330 VanDerWaalsContact C-N 3.28Å
1329S68.3Low84.7Confident82 Ų8245.2 Ų45.257%0.57324%0.237SC*.THydrogen-bonded Turntrans-82.2-2.9176.781.90000113.8D1327 R1331D1327-S1329 PolarHBondContact O-N 3.41Å; D1327-S1329 VanDerWaalsContact O-N 3.08Å; D1327-S1329 VanDerWaalsContact OD1-C 3.31Å; D1327-S1329 VanDerWaalsContact OD1-CA 3.25Å; D1327-S1329 WeakPolarHBondContact OD1-CA 3.28Å; D1327-S1329 VanDerWaalsContact OD1-CB 3.31Å; D1327-S1329 WeakPolarHBondContact OD1-CB 3.31Å; D1327-S1329 PolarHBondContact OD1-N 3.48Å; D1327-S1329 PolarHBondContact OD1-OG 2.88Å; D1327-S1329 PolarHBondContact OD2-OG 3.39Å; D1327-S1329 VanDerWaalsContact OD2-OG 3.14Å; S1329-R1331 VanDerWaalsContact C-N 3.29Å; S1329-R1331 WeakPolarHBondContact OG-CG 3.5Å
1330G69.5Low85Confident56 Ų5645.2 Ų45.258%0.57724%0.237SC*.SBendtrans80.34.1-175.400000114.1D1327 I1328D1327-G1330 WeakPolarHBondContact O-CA 3.3Å; D1327-G1330 PolarHBondContact O-N 2.94Å; D1327-G1330 PolarHBondContact OD1-N 3.14Å; I1328-G1330 VanDerWaalsContact C-N 3.28Å
1331R70.5Confident85.3Confident187 Ų18745.2 Ų45.271%0.70624%0.237SC*.  trans-89.1136.6-177.8-67.4-173.8-177.1-142.10.5111D1327 S1329D1327-R1331 VanDerWaalsContact CG-O 3.28Å; D1327-R1331 PolarHBondContact N-O 3.46Å; D1327-R1331 PolarHBondContact OD1-N 2.99Å; S1329-R1331 VanDerWaalsContact C-N 3.29Å; S1329-R1331 WeakPolarHBondContact OG-CG 3.5Å
1332N81.7Confident85.6Confident32 Ų3245.3 Ų45.317%0.17124%0.237CC..  trans-82.3134.9171.4-169.1-41.1000109.8V819 P821 Q1324 L1334V819-N1332 PolarHBondContact O-ND2 2.9Å; P821-N1332 HydrophobicContact CB-CB 4.42Å; P821-N1332 HydrophobicContact CG-CB 4.06Å; Q1324-N1332 PolarHBondContact NE2-OD1 3.01Å; Q1324-N1332 VanDerWaalsContact NE2-OD1 3.07Å; N1332-L1334 VanDerWaalsContact C-N 3.27Å; N1332-L1334 PolarHBondContact O-N 3.31Å; N1332-L1334 VanDerWaalsContact OD1-CB 3.23Å; N1332-L1334 WeakPolarHBondContact OD1-CB 3.41Å; N1332-L1334 PolarHBondContact OD1-N 2.91Å
1333R88.4Confident86Confident108 Ų10847.3 Ų47.341%0.40825%0.246SC..  trans-69.6-21.2178.6-171.5-179.4177.3106.52.4113.4D1302 K1335D1302-R1333 IonicContact OD1-CZ 3.45Å; D1302-R1333 IonicContact OD1-NE 3.83Å; D1302-R1333 PolarHBondContact OD1-NE 3.14Å; D1302-R1333 IonicContact OD1-NH2 2.66Å; D1302-R1333 IonicContact OD2-CZ 3.4Å; D1302-R1333 IonicContact OD2-NE 2.86Å; D1302-R1333 PolarHBondContact OD2-NE 2.94Å; D1302-R1333 IonicContact OD2-NH2 3.81Å; D1302-R1333 PolarHBondContact OD2-NH2 3.23Å; R1333-K1335 PolarHBondContact O-N 2.78Å
1334L93.2Very high86.1Confident4 Ų449 Ų492%0.02125%0.254CS..  trans-60.9116.2-177.2-174.162.2000112P821 Y1301 I1304 L1321 N1332 R1336P821-L1334 HydrophobicContact CG-CB 4.17Å; P821-L1334 HydrophobicContact CG-CD2 4.1Å; Y1301-L1334 HydrophobicContact CD2-CD1 4.15Å; Y1301-L1334 HydrophobicContact CE2-CD1 4.07Å; I1304-L1334 HydrophobicContact CB-CD1 4.38Å; I1304-L1334 HydrophobicContact CD1-CD1 3.91Å; I1304-L1334 HydrophobicContact CD1-CD2 4.07Å; I1304-L1334 HydrophobicContact CG1-CD1 3.89Å; L1321-L1334 HydrophobicContact CD2-CD2 3.65Å; N1332-L1334 VanDerWaalsContact C-N 3.27Å; N1332-L1334 PolarHBondContact O-N 3.31Å; N1332-L1334 VanDerWaalsContact OD1-CB 3.23Å; N1332-L1334 WeakPolarHBondContact OD1-CB 3.41Å; N1332-L1334 PolarHBondContact OD1-N 2.91Å; L1334-R1336 VanDerWaalsContact CD1-O 3.31Å; L1334-R1336 WeakPolarHBondContact CD1-O 3.42Å
1335K94.3Very high86.5Confident75 Ų7549.4 Ų49.433%0.32626%0.256SS..  trans-102-34.9178.2-66.3170.2-175.2147.50112.6G1010 D1302 R1333G1010-K1335 PolarHBondContact N-O 3.4Å; D1302-K1335 HydrophobicContact CB-CD 4.47Å; D1302-K1335 PolarHBondContact O-N 3.37Å; D1302-K1335 IonicContact OD1-NZ 3.79Å; D1302-K1335 PolarHBondContact OD1-NZ 3.5Å; R1333-K1335 PolarHBondContact O-N 2.78Å
1336R96.4Very high87Confident2 Ų246.4 Ų46.41%0.00824%0.24CC..EExtended strand (participates in β ladder)trans-133.9133-171.6-75-178.1-69.3-91.8-4.8112.4G1006 Q1008 G1010 D1302 T1303 I1304 L1334G1006-R1336 WeakPolarHBondContact O-CD 3.28Å; Q1008-R1336 WeakPolarHBondContact O-CD 3.44Å; Q1008-R1336 WeakPolarHBondContact O-CG 3.46Å; G1010-R1336 WeakPolarHBondContact O-CA 3.48Å; D1302-R1336 PolarHBondContact O-N 3.39Å; D1302-R1336 VanDerWaalsContact O-N 3.14Å; T1303-R1336 WeakPolarHBondContact CA-O 3.16Å; T1303-R1336 HydrophobicContact CG2-CB 3.85Å; T1303-R1336 PolarHBondContact OG1-NE 2.97Å; T1303-R1336 PolarHBondContact OG1-NH2 3.46Å; T1303-R1336 VanDerWaalsContact OG1-NH2 3.11Å; I1304-R1336 PolarHBondContact N-O 2.91Å; L1334-R1336 VanDerWaalsContact CD1-O 3.31Å; L1334-R1336 WeakPolarHBondContact CD1-O 3.42Å
1337W97.1Very high87.9Confident0 Ų045.1 Ų45.10%023%0.231CC..EExtended strand (participates in β ladder)trans-128.9114.8171.8-173.322.9000110.1W823 L824 L828 G1010 L1011 T1012 M1306 T1317 L1321 M1339 L1365 L1369W823-W1337 HydrophobicContact CH2-CB 4.44Å; L824-W1337 HydrophobicContact CD1-CE3 3.87Å; L824-W1337 HydrophobicContact CD1-CZ3 3.84Å; L824-W1337 HydrophobicContact CD2-CE3 3.49Å; L824-W1337 VanDerWaalsContact CD2-CE3 3.49Å; L824-W1337 HydrophobicContact CD2-CZ3 3.62Å; L824-W1337 HydrophobicContact CG-CE3 4.29Å; L824-W1337 HydrophobicContact CG-CZ3 4.2Å; L828-W1337 HydrophobicContact CD2-CH2 4.25Å; L828-W1337 HydrophobicContact CD2-CZ3 4.11Å; G1010-W1337 PolarHBondContact O-N 3.43Å; L1011-W1337 WeakPolarHBondContact CA-O 3.45Å; L1011-W1337 HydrophobicContact CD1-CB 4.34Å; L1011-W1337 HydrophobicContact CD1-CD2 3.98Å; L1011-W1337 HydrophobicContact CD1-CE3 3.7Å; L1011-W1337 HydrophobicContact CD1-CG 4.28Å; L1011-W1337 HydrophobicContact CD1-CZ3 4.28Å; T1012-W1337 PolarHBondContact N-O 3.25Å; M1306-W1337 HydrophobicContact SD-CZ2 4.12Å; M1306-W1337 PolarHBondContact SD-NE1 3.34Å; T1317-W1337 HydrophobicContact CG2-CZ2 4.1Å; L1321-W1337 HydrophobicContact CD1-CE3 4.42Å; L1321-W1337 HydrophobicContact CD1-CH2 3.79Å; L1321-W1337 HydrophobicContact CD1-CZ2 3.99Å; L1321-W1337 HydrophobicContact CD1-CZ3 4.02Å; L1321-W1337 HydrophobicContact CD2-CD2 3.79Å; L1321-W1337 HydrophobicContact CD2-CE3 4.11Å; L1321-W1337 HydrophobicContact CD2-CG 4.13Å; L1321-W1337 HydrophobicContact CD2-CZ2 4.27Å; L1321-W1337 HydrophobicContact CG-CZ2 4.41Å; W1337-M1339 HydrophobicContact CD2-CG 4.41Å; W1337-M1339 HydrophobicContact CD2-SD 4.34Å; W1337-M1339 HydrophobicContact CH2-SD 3.83Å; W1337-M1339 HydrophobicContact CZ2-CE 4Å; W1337-M1339 HydrophobicContact CZ2-CG 4.13Å; W1337-M1339 HydrophobicContact CZ2-SD 3.42Å; W1337-M1339 WeakPolarHBondContact CZ2-SD 3.5Å; W1337-M1339 HydrophobicContact CZ3-SD 4.44Å; W1337-L1365 HydrophobicContact CH2-CD2 3.6Å; W1337-L1365 HydrophobicContact CH2-CG 4.27Å; W1337-L1365 HydrophobicContact CZ2-CD2 4.15Å; W1337-L1369 HydrophobicContact CH2-CD1 4.5Å
1338I98.2Very high88.8Confident1 Ų141.3 Ų41.31%0.00521%0.211CC..EExtended strand (participates in β ladder)trans-117.5115.8-171-50.8174.7000107.3G1006 T1012 I1029 L1033 T1303 I1304 L1305 M1306 I1340G1006-I1338 WeakPolarHBondContact O-CD1 3.23Å; T1012-I1338 HydrophobicContact CG2-CG2 4.4Å; T1012-I1338 WeakPolarHBondContact O-CA 3.47Å; I1029-I1338 HydrophobicContact CD1-CG2 4.31Å; I1029-I1338 HydrophobicContact CG2-CD1 3.57Å; L1033-I1338 HydrophobicContact CD1-CD1 4.38Å; T1303-I1338 HydrophobicContact CG2-CD1 4.01Å; I1304-I1338 PolarHBondContact O-N 2.86Å; L1305-I1338 CarbonylContact C-O 3.56Å; L1305-I1338 WeakPolarHBondContact CA-O 3.47Å; L1305-I1338 HydrophobicContact CD1-CG2 4.5Å; M1306-I1338 PolarHBondContact N-O 3.35Å; I1338-I1340 HydrophobicContact CG2-CD1 4.46Å; I1338-I1340 HydrophobicContact CG2-CG1 4.26Å
1339M98.3Very high89.6Confident0 Ų037.8 Ų37.80%020%0.198CC..EExtended strand (participates in β ladder)trans-115122.7178.9-57.4179.174.800109.3L1011 T1012 L1013 V1014 M1306 A1309 T1317 W1337 F1366 L1369L1011-M1339 HydrophobicContact CD1-SD 4.35Å; T1012-M1339 PolarHBondContact O-N 3.22Å; L1013-M1339 WeakPolarHBondContact CA-O 3.26Å; V1014-M1339 PolarHBondContact N-O 3.18Å; M1306-M1339 HydrophobicContact SD-CG 4.46Å; A1309-M1339 HydrophobicContact CB-CB 4.11Å; A1309-M1339 HydrophobicContact CB-CE 3.82Å; T1317-M1339 HydrophobicContact CG2-CE 3.68Å; W1337-M1339 HydrophobicContact CD2-CG 4.41Å; W1337-M1339 HydrophobicContact CD2-SD 4.34Å; W1337-M1339 HydrophobicContact CH2-SD 3.83Å; W1337-M1339 HydrophobicContact CZ2-CE 4Å; W1337-M1339 HydrophobicContact CZ2-CG 4.13Å; W1337-M1339 HydrophobicContact CZ2-SD 3.42Å; W1337-M1339 WeakPolarHBondContact CZ2-SD 3.5Å; W1337-M1339 HydrophobicContact CZ3-SD 4.44Å; M1339-F1366 HydrophobicContact CB-CD2 3.85Å; M1339-F1366 HydrophobicContact CB-CE2 4.23Å; M1339-F1366 HydrophobicContact CE-CB 3.88Å; M1339-F1366 HydrophobicContact CE-CD2 4.26Å; M1339-L1369 HydrophobicContact SD-CD1 3.88Å
1340I97.7Very high90.6Very high0 Ų034 Ų340%017%0.172CC..EExtended strand (participates in β ladder)trans-118.5124.1178.7-52.9177000107.5V1014 K1022 A1026 M1306 E1307 E1308 A1309 I1338V1014-I1340 HydrophobicContact CB-CB 4.41Å; V1014-I1340 HydrophobicContact CB-CG1 4.05Å; V1014-I1340 HydrophobicContact CB-CG2 4.22Å; V1014-I1340 HydrophobicContact CG1-CG2 4.37Å; V1014-I1340 HydrophobicContact CG2-CG1 4.21Å; V1014-I1340 WeakPolarHBondContact O-CA 3.49Å; K1022-I1340 HydrophobicContact CB-CG2 3.88Å; K1022-I1340 HydrophobicContact CD-CG2 3.88Å; K1022-I1340 HydrophobicContact CG-CG2 3.75Å; A1026-I1340 HydrophobicContact CB-CD1 3.66Å; M1306-I1340 PolarHBondContact O-N 3.28Å; E1307-I1340 CarbonylContact C-O 3.45Å; E1308-I1340 WeakPolarHBondContact CA-O 3.17Å; E1308-I1340 PolarHBondContact N-O 3.31Å; A1309-I1340 PolarHBondContact N-O 2.91Å; I1338-I1340 HydrophobicContact CG2-CD1 4.46Å; I1338-I1340 HydrophobicContact CG2-CG1 4.26Å
1341G95.7Very high91.4Very high0 Ų035.1 Ų35.10%016%0.161CC..EExtended strand (participates in β ladder)trans-167.9-178-17700000113.3V1014 V1015 G1016V1014-G1341 PolarHBondContact O-N 2.94Å; V1015-G1341 CarbonylContact C-O 3.59Å; V1015-G1341 VanDerWaalsContact CA-O 3.32Å; V1015-G1341 WeakPolarHBondContact CA-O 3.14Å; G1016-G1341 PolarHBondContact N-O 3.27Å
1342D95Very high92.3Very high2 Ų226.2 Ų26.21%0.01113%0.127CC..  trans-138.9104.5175.1-174.3-3.4000110.4A1310 H1344 Q1345 Y1397A1310-D1342 WeakPolarHBondContact CB-O 3.28Å; D1342-H1344 PolarHBondContact O-N 2.92Å; D1342-H1344 WeakPolarHBondContact OD1-CA 3.34Å; D1342-H1344 WeakPolarHBondContact OD1-CB 3.39Å; D1342-H1344 PolarHBondContact OD1-N 3.36Å; D1342-Q1345 HydrophobicContact CB-CB 4.31Å; D1342-Q1345 HydrophobicContact CB-CG 4.35Å; D1342-Q1345 PolarHBondContact O-N 2.93Å; D1342-Q1345 WeakPolarHBondContact OD2-CG 3.43Å; D1342-Q1345 PolarHBondContact OD2-NE2 3Å; D1342-Y1397 PolarHBondContact OD2-OH 3.29Å
1343H93Very high92.4Very high47 Ų4728.8 Ų28.822%0.21814%0.138CC..THydrogen-bonded Turntrans-75.5-7.5-179.665-80.7000113.2F1366 A1367H1343-F1366 HydrophobicContact CB-CD1 4.19Å; H1343-F1366 HydrophobicContact CB-CE1 4.17Å; H1343-F1366 AromaticContact ND1-CE1 3.99Å; H1343-A1367 HydrophobicContact CB-CB 4.2Å
1344H91.9Very high92.3Very high36 Ų3623.8 Ų23.817%0.16712%0.12CC..THydrogen-bonded Turntrans-90.3-2.2171-61.9125.7000113.3D1342 Y1397 R1534D1342-H1344 PolarHBondContact O-N 2.92Å; D1342-H1344 WeakPolarHBondContact OD1-CA 3.34Å; D1342-H1344 WeakPolarHBondContact OD1-CB 3.39Å; D1342-H1344 PolarHBondContact OD1-N 3.36Å; H1344-Y1397 HydrophobicContact CB-CE1 3.89Å; H1344-Y1397 AromaticContact ND1-CD1 3.79Å; H1344-Y1397 AromaticContact ND1-CE1 3.71Å; H1344-R1534 WeakPolarHBondContact O-CG 3.35Å
1345Q91.5Very high92.2Very high7 Ų723.6 Ų23.63%0.03312%0.119CC..SBendtrans-101.8-168.4168.9-76.7-177.867.700110.9D1342 R1534 I1537 V1538D1342-Q1345 HydrophobicContact CB-CB 4.31Å; D1342-Q1345 HydrophobicContact CB-CG 4.35Å; D1342-Q1345 PolarHBondContact O-N 2.93Å; D1342-Q1345 WeakPolarHBondContact OD2-CG 3.43Å; D1342-Q1345 PolarHBondContact OD2-NE2 3Å; Q1345-R1534 WeakPolarHBondContact O-CB 3.42Å; Q1345-R1534 VanDerWaalsContact O-CD 3.29Å; Q1345-R1534 WeakPolarHBondContact O-CD 3.37Å; Q1345-I1537 HydrophobicContact CG-CG2 4.46Å; Q1345-V1538 HydrophobicContact CB-CG2 4.1Å; Q1345-V1538 HydrophobicContact CG-CG2 4.02Å
1346L91.3Very high91.8Very high11 Ų1120.8 Ų20.86%0.05811%0.107CC..  trans-61.2134.9-173.1-78.2167.7000112.4D1507 Q1510 R1535 V1538L1346-D1507 HydrophobicContact CD1-CB 3.97Å; L1346-Q1510 VanDerWaalsContact CB-OE1 3.28Å; L1346-R1535 HydrophobicContact CD2-CG 3.45Å; L1346-R1535 VanDerWaalsContact CD2-CG 3.45Å; L1346-V1538 HydrophobicContact CD1-CG1 4.47Å; L1346-V1538 HydrophobicContact CD1-CG2 4.12Å; L1346-V1538 HydrophobicContact CG-CG2 3.96Å
1347P92.3Very high91.2Very high25 Ų2523.2 Ų23.216%0.16212%0.121CC..  trans-75.3176.4170.534-36.8000111.9G1362P1347-G1362 VanDerWaalsContact CB-O 3.31Å; P1347-G1362 WeakPolarHBondContact CB-O 3.31Å
1348P91.6Very high90.7Very high6 Ų626.1 Ų26.14%0.03913%0.132CC..  trans-54.1145.7169.7-20.431.7000112.2A1310 Q1311 I1312 L1313 V1350 G1362A1310-P1348 WeakPolarHBondContact O-CD 3.31Å; Q1311-P1348 WeakPolarHBondContact O-CA 3.31Å; Q1311-P1348 WeakPolarHBondContact O-CB 3.25Å; I1312-P1348 WeakPolarHBondContact O-CG 3.33Å; L1313-P1348 HydrophobicContact CD2-CB 3.62Å; L1313-P1348 HydrophobicContact CD2-CG 4.33Å; L1313-P1348 HydrophobicContact CG-CB 3.98Å; P1348-V1350 PolarHBondContact O-N 3.02Å; P1348-G1362 WeakPolarHBondContact CD-O 3.43Å
1349V86Confident90.3Very high112 Ų11226 Ų2668%0.67913%0.132SC*.  trans-85.3112.2-178.4-179.40000109.8
1350V88.5Confident89.9Confident4 Ų428.9 Ų28.92%0.02415%0.147CC..  trans-104.3124.1168.9-178.10000108.2E567 L1313 P1348 N1352 Q1353 F1355 N1356 M1361E567-V1350 HydrophobicContact CG-CG1 4.14Å; L1313-V1350 HydrophobicContact CD2-CG2 4.16Å; P1348-V1350 PolarHBondContact O-N 3.02Å; V1350-N1352 WeakPolarHBondContact CG1-O 3.11Å; V1350-Q1353 PolarHBondContact O-NE2 3.15Å; V1350-F1355 HydrophobicContact CG1-CB 4.27Å; V1350-N1356 HydrophobicContact CB-CB 4.07Å; V1350-N1356 HydrophobicContact CG1-CB 4.15Å; V1350-M1361 HydrophobicContact CG1-SD 4.16Å; V1350-M1361 HydrophobicContact CG2-CB 4.14Å; V1350-M1361 HydrophobicContact CG2-CG 3.98Å
1351K87.1Confident89.7Confident79 Ų7929.4 Ų29.434%0.34315%0.149SC..SBendtrans-65.4-48.5-176.4-56.8-62.9-175.1166.10111.9Y570 E571 E800 Q1353Y570-K1351 HydrophobicContact CD1-CB 4.16Å; Y570-K1351 HydrophobicContact CE1-CB 4.03Å; E571-K1351 HydrophobicContact CG-CG 3.95Å; E571-K1351 WeakPolarHBondContact OE1-CE 3.17Å; E571-K1351 WeakPolarHBondContact OE1-CG 3.38Å; E800-K1351 IonicContact OE1-NZ 2.73Å; K1351-Q1353 PolarHBondContact O-N 2.79Å
1352N89.3Confident89.4Confident0 Ų029.7 Ų29.70%015%0.152CC..  trans-83114.2179.2-167.2-35.1000110.7P531 Y570 V1350 A1354 F1355 N1356P531-N1352 PolarHBondContact O-ND2 3.32Å; Y570-N1352 HydrophobicContact CD1-CB 3.73Å; Y570-N1352 HydrophobicContact CD2-CB 4.2Å; Y570-N1352 WeakPolarHBondContact CD2-ND2 3.49Å; Y570-N1352 HydrophobicContact CE1-CB 3.94Å; Y570-N1352 HydrophobicContact CE2-CB 4.37Å; Y570-N1352 WeakPolarHBondContact CE2-ND2 3.41Å; Y570-N1352 HydrophobicContact CG-CB 3.86Å; V1350-N1352 WeakPolarHBondContact CG1-O 3.11Å; N1352-A1354 PolarHBondContact O-N 3.14Å; N1352-A1354 WeakPolarHBondContact OD1-CA 3.43Å; N1352-A1354 WeakPolarHBondContact OD1-CB 3.38Å; N1352-A1354 PolarHBondContact OD1-N 3.03Å; N1352-F1355 HydrophobicContact CB-CD2 3.47Å; N1352-F1355 VanDerWaalsContact CB-CD2 3.47Å; N1352-F1355 HydrophobicContact CB-CE2 3.84Å; N1352-F1355 HydrophobicContact CB-CG 4.13Å; N1352-F1355 PolarHBondContact O-N 3.25Å; N1352-N1356 PolarHBondContact O-N 3.03Å; N1352-N1356 VanDerWaalsContact O-N 3.14Å
1353Q83.4Confident89.2Confident85 Ų8530.7 Ų30.740%0.39716%0.157SC..Hα-helixtrans-67-22.7179.4-62.8-53-39.400113.1V1350 K1351 N1356 N1357V1350-Q1353 PolarHBondContact O-NE2 3.15Å; K1351-Q1353 PolarHBondContact O-N 2.79Å; Q1353-N1356 WeakPolarHBondContact O-CB 3.49Å; Q1353-N1356 PolarHBondContact O-N 3.43Å; Q1353-N1356 PolarHBondContact OE1-ND2 3.49Å; Q1353-N1356 VanDerWaalsContact OE1-ND2 3.15Å; Q1353-N1357 VanDerWaalsContact O-CB 3.23Å; Q1353-N1357 WeakPolarHBondContact O-CB 3.43Å; Q1353-N1357 PolarHBondContact O-N 2.95Å; Q1353-N1357 PolarHBondContact O-ND2 2.87Å
1354A86.4Confident89.4Confident4 Ų428.6 Ų28.63%0.03315%0.148CC..Hα-helixtrans-66.7-48.517500000111.3P531 Y535 L541 N1352 N1356 N1357 Y1358P531-A1354 HydrophobicContact CB-CB 3.84Å; P531-A1354 HydrophobicContact CG-CB 3.87Å; Y535-A1354 HydrophobicContact CD1-CB 3.83Å; Y535-A1354 HydrophobicContact CG-CB 4.14Å; L541-A1354 HydrophobicContact CD1-CB 4.05Å; N1352-A1354 PolarHBondContact O-N 3.14Å; N1352-A1354 WeakPolarHBondContact OD1-CA 3.43Å; N1352-A1354 WeakPolarHBondContact OD1-CB 3.38Å; N1352-A1354 PolarHBondContact OD1-N 3.03Å; A1354-N1356 VanDerWaalsContact C-N 3.27Å; A1354-N1356 PolarHBondContact O-N 3.09Å; A1354-N1357 PolarHBondContact O-N 2.81Å; A1354-Y1358 HydrophobicContact CB-CD2 4.32Å; A1354-Y1358 WeakPolarHBondContact O-CB 3.35Å; A1354-Y1358 VanDerWaalsContact O-CD2 3.31Å; A1354-Y1358 WeakPolarHBondContact O-CD2 3.47Å; A1354-Y1358 PolarHBondContact O-N 3.33Å
1355F91.1Very high89.5Confident0 Ų026.9 Ų26.90%014%0.14CC..Hα-helixtrans-60.9-41.4174-57.5-33.2000110.8R529 V530 P531 L543 L566 E567 V1350 N1352 S1359 M1361R529-F1355 WeakPolarHBondContact O-CE1 3.27Å; V530-F1355 HydrophobicContact CG1-CZ 4.5Å; P531-F1355 HydrophobicContact CG-CE1 4.39Å; L543-F1355 HydrophobicContact CD1-CD1 3.71Å; L543-F1355 HydrophobicContact CD1-CE1 4.06Å; L543-F1355 HydrophobicContact CD2-CD1 4.16Å; L543-F1355 HydrophobicContact CD2-CE1 3.93Å; L566-F1355 VanDerWaalsContact C-CE2 3.46Å; L566-F1355 HydrophobicContact CB-CE1 4.05Å; L566-F1355 HydrophobicContact CB-CE2 4.03Å; L566-F1355 HydrophobicContact CB-CZ 3.62Å; L566-F1355 HydrophobicContact CD1-CE1 4.45Å; L566-F1355 WeakPolarHBondContact O-CE2 3.37Å; E567-F1355 HydrophobicContact CB-CD2 3.95Å; E567-F1355 HydrophobicContact CB-CE2 4.34Å; E567-F1355 HydrophobicContact CG-CD2 4.31Å; V1350-F1355 HydrophobicContact CG1-CB 4.27Å; N1352-F1355 HydrophobicContact CB-CD2 3.47Å; N1352-F1355 VanDerWaalsContact CB-CD2 3.47Å; N1352-F1355 HydrophobicContact CB-CE2 3.84Å; N1352-F1355 HydrophobicContact CB-CG 4.13Å; N1352-F1355 PolarHBondContact O-N 3.25Å; F1355-S1359 PolarHBondContact O-N 2.68Å; F1355-S1359 VanDerWaalsContact O-N 3.14Å; F1355-S1359 PolarHBondContact O-OG 3.33Å; F1355-M1361 HydrophobicContact CB-SD 4.29Å
1356N87Confident89.8Confident15 Ų1526.6 Ų26.68%0.0814%0.138CC..Hα-helixtrans-55.8-61.3173.8-157.38.6000110.6R110 V1350 N1352 Q1353 A1354 N1360 G1362R110-N1356 PolarHBondContact NH1-ND2 2.91Å; R110-N1356 PolarHBondContact NH1-OD1 3.29Å; R110-N1356 VanDerWaalsContact NH1-OD1 3.1Å; R110-N1356 PolarHBondContact NH2-O 2.95Å; R110-N1356 PolarHBondContact NH2-OD1 3.31Å; V1350-N1356 HydrophobicContact CB-CB 4.07Å; V1350-N1356 HydrophobicContact CG1-CB 4.15Å; N1352-N1356 PolarHBondContact O-N 3.03Å; N1352-N1356 VanDerWaalsContact O-N 3.14Å; Q1353-N1356 WeakPolarHBondContact O-CB 3.49Å; Q1353-N1356 PolarHBondContact O-N 3.43Å; Q1353-N1356 PolarHBondContact OE1-ND2 3.49Å; Q1353-N1356 VanDerWaalsContact OE1-ND2 3.15Å; A1354-N1356 VanDerWaalsContact C-N 3.27Å; A1354-N1356 PolarHBondContact O-N 3.09Å; N1356-N1360 WeakPolarHBondContact O-CA 3.24Å; N1356-N1360 PolarHBondContact O-N 3.2Å; N1356-N1360 VanDerWaalsContact O-N 3.11Å; N1356-G1362 VanDerWaalsContact OD1-CA 3.26Å; N1356-G1362 WeakPolarHBondContact OD1-CA 3.29Å; N1356-G1362 PolarHBondContact OD1-N 3.49Å
1357N83.1Confident89.9Confident54 Ų5427 Ų2729%0.28914%0.143SC..Hα-helixtrans-70.4-34.7-169.4-64.7-17.4000114.6R110 Q1353 A1354R110-N1357 PolarHBondContact NE-OD1 2.89Å; R110-N1357 PolarHBondContact NH1-OD1 3.04Å; Q1353-N1357 VanDerWaalsContact O-CB 3.23Å; Q1353-N1357 WeakPolarHBondContact O-CB 3.43Å; Q1353-N1357 PolarHBondContact O-N 2.95Å; Q1353-N1357 PolarHBondContact O-ND2 2.87Å; A1354-N1357 PolarHBondContact O-N 2.81Å
1358Y86Confident90Very high60 Ų6025.8 Ų25.824%0.23514%0.136CC..Hα-helixtrans-104-16.6-171.8-63.3-76000114.2Y535 G537 L541 A1354Y535-Y1358 HydrophobicContact CD1-CD2 4.23Å; Y535-Y1358 AromaticContact CD1-CE2 3.74Å; Y535-Y1358 HydrophobicContact CD1-CE2 3.74Å; Y535-Y1358 HydrophobicContact CE1-CD2 4Å; Y535-Y1358 AromaticContact CE1-CE2 3.58Å; Y535-Y1358 HydrophobicContact CE1-CE2 3.58Å; G537-Y1358 WeakPolarHBondContact CA-OH 3.49Å; G537-Y1358 PolarHBondContact O-OH 3.47Å; L541-Y1358 HydrophobicContact CD1-CD2 3.96Å; L541-Y1358 HydrophobicContact CD1-CG 4.25Å; A1354-Y1358 HydrophobicContact CB-CD2 4.32Å; A1354-Y1358 WeakPolarHBondContact O-CB 3.35Å; A1354-Y1358 VanDerWaalsContact O-CD2 3.31Å; A1354-Y1358 WeakPolarHBondContact O-CD2 3.47Å; A1354-Y1358 PolarHBondContact O-N 3.33Å
1359S90.3Very high90.1Very high0 Ų025.5 Ų25.50%013%0.134CC..Hα-helixtrans-116.9-0.8174.776.10000115.2P544 L546 L563 F1355 M1361P544-S1359 WeakPolarHBondContact O-CB 3.14Å; L546-S1359 PolarHBondContact N-O 3.27Å; L563-S1359 VanDerWaalsContact CD2-OG 3.31Å; L563-S1359 WeakPolarHBondContact CD2-OG 3.44Å; F1355-S1359 PolarHBondContact O-N 2.68Å; F1355-S1359 VanDerWaalsContact O-N 3.14Å; F1355-S1359 PolarHBondContact O-OG 3.33Å; S1359-M1361 PolarHBondContact O-N 3.35Å
1360N90.3Very high90.5Very high60 Ų6021.7 Ų21.732%0.32111%0.111SC..  trans60.524.6-174.4-62.4-33000114.6L546 N1356 G1362 Q1363L546-N1360 HydrophobicContact CB-CB 4.41Å; L546-N1360 VanDerWaalsContact O-CB 3.28Å; L546-N1360 WeakPolarHBondContact O-CB 3.3Å; L546-N1360 PolarHBondContact O-ND2 3.5Å; L546-N1360 VanDerWaalsContact O-ND2 3.1Å; N1356-N1360 WeakPolarHBondContact O-CA 3.24Å; N1356-N1360 PolarHBondContact O-N 3.2Å; N1356-N1360 VanDerWaalsContact O-N 3.11Å; N1360-G1362 PolarHBondContact O-N 3.39Å; N1360-G1362 VanDerWaalsContact O-N 3.1Å; N1360-Q1363 VanDerWaalsContact O-CB 3.28Å; N1360-Q1363 WeakPolarHBondContact O-CB 3.44Å; N1360-Q1363 PolarHBondContact O-N 2.86Å
1361M92.3Very high90.5Very high10 Ų1025.3 Ų25.35%0.04913%0.126CC..THydrogen-bonded Turntrans-58.3-28-178-170.3174.4177.900114.2L563 F564 E567 L1313 V1350 F1355 S1359 Q1363L563-M1361 HydrophobicContact CB-SD 4.14Å; F564-M1361 HydrophobicContact CB-CE 4.49Å; F564-M1361 HydrophobicContact CD2-CE 4.26Å; E567-M1361 HydrophobicContact CB-CE 3.61Å; E567-M1361 HydrophobicContact CB-SD 3.81Å; E567-M1361 HydrophobicContact CG-CE 3.71Å; E567-M1361 HydrophobicContact CG-SD 3.92Å; L1313-M1361 HydrophobicContact CD1-CE 4.46Å; L1313-M1361 HydrophobicContact CD2-CG 4.46Å; L1313-M1361 VanDerWaalsContact CD2-O 3.31Å; L1313-M1361 WeakPolarHBondContact CD2-O 3.35Å; V1350-M1361 HydrophobicContact CG1-SD 4.16Å; V1350-M1361 HydrophobicContact CG2-CB 4.14Å; V1350-M1361 HydrophobicContact CG2-CG 3.98Å; F1355-M1361 HydrophobicContact CB-SD 4.29Å; S1359-M1361 PolarHBondContact O-N 3.35Å; M1361-Q1363 PolarHBondContact O-N 3.21Å
1362G89.7Confident90.5Very high6 Ų622.7 Ų22.76%0.06212%0.116CC..THydrogen-bonded Turntrans-81.213.3174.600000114.7P1347 P1348 N1356 N1360P1347-G1362 VanDerWaalsContact CB-O 3.31Å; P1347-G1362 WeakPolarHBondContact CB-O 3.31Å; P1348-G1362 WeakPolarHBondContact CD-O 3.43Å; N1356-G1362 VanDerWaalsContact OD1-CA 3.26Å; N1356-G1362 WeakPolarHBondContact OD1-CA 3.29Å; N1356-G1362 PolarHBondContact OD1-N 3.49Å; N1360-G1362 PolarHBondContact O-N 3.39Å; N1360-G1362 VanDerWaalsContact O-N 3.1Å
1363Q92.2Very high90.4Very high24 Ų2422.8 Ų22.811%0.11212%0.116CC..  trans-87.1125.3169.3-177.8178.998.600109.2N1360 M1361 A1367 R1368N1360-Q1363 VanDerWaalsContact O-CB 3.28Å; N1360-Q1363 WeakPolarHBondContact O-CB 3.44Å; N1360-Q1363 PolarHBondContact O-N 2.86Å; M1361-Q1363 PolarHBondContact O-N 3.21Å; Q1363-A1367 HydrophobicContact CG-CB 4.47Å; Q1363-R1368 HydrophobicContact CG-CB 4.27Å
1364S95.8Very high90.8Very high3 Ų318.9 Ų18.92%0.02110%0.098CC..  trans-81.6155.5171.554.80000111.4A1310 I1312 F1366 A1367 R1368A1310-S1364 WeakPolarHBondContact CA-OG 3.26Å; A1310-S1364 VanDerWaalsContact O-CB 3.27Å; A1310-S1364 WeakPolarHBondContact O-CB 3.4Å; A1310-S1364 PolarHBondContact O-OG 3.37Å; I1312-S1364 WeakPolarHBondContact O-CA 3.24Å; I1312-S1364 WeakPolarHBondContact O-CB 3.35Å; S1364-F1366 PolarHBondContact O-N 3.42Å; S1364-A1367 PolarHBondContact O-N 3.33Å; S1364-A1367 VanDerWaalsContact O-N 3.09Å; S1364-A1367 WeakPolarHBondContact OG-CB 3.49Å; S1364-A1367 PolarHBondContact OG-N 2.81Å; S1364-R1368 PolarHBondContact O-N 2.96Å
1365L95.5Very high91.1Very high0 Ų019.1 Ų19.10%010%0.099CC..Hα-helixtrans-58.5-36.2174.8-172.548.1000111.4L828 E1314 T1317 W1337 R1368 L1369L828-L1365 HydrophobicContact CD2-CD1 3.86Å; L828-L1365 HydrophobicContact CD2-CD2 4.07Å; L828-L1365 HydrophobicContact CD2-CG 4.4Å; E1314-L1365 HydrophobicContact CG-CB 3.66Å; E1314-L1365 HydrophobicContact CG-CD1 3.95Å; E1314-L1365 HydrophobicContact CG-CG 4.25Å; T1317-L1365 HydrophobicContact CG2-CB 4.04Å; T1317-L1365 HydrophobicContact CG2-CD2 4.02Å; W1337-L1365 HydrophobicContact CH2-CD2 3.6Å; W1337-L1365 HydrophobicContact CH2-CG 4.27Å; W1337-L1365 HydrophobicContact CZ2-CD2 4.15Å; L1365-R1368 PolarHBondContact O-N 2.89Å; L1365-L1369 HydrophobicContact CD1-CD1 4.44Å; L1365-L1369 HydrophobicContact CD1-CG 4.26Å; L1365-L1369 HydrophobicContact CG-CD1 4.23Å; L1365-L1369 VanDerWaalsContact O-CG 3.28Å; L1365-L1369 WeakPolarHBondContact O-CG 2.98Å; L1365-L1369 PolarHBondContact O-N 3.32Å
1366F97.1Very high91.2Very high0 Ų020.3 Ų20.30%011%0.107CC..Hα-helixtrans-56.6-54.2172.6-175.2-95.5000111.6L1013 V1014 V1015 A1309 A1310 M1339 H1343 S1364 R1368 L1369 V1370L1013-F1366 HydrophobicContact CB-CE2 4.26Å; L1013-F1366 HydrophobicContact CD2-CD2 3.98Å; L1013-F1366 HydrophobicContact CD2-CE2 4.06Å; L1013-F1366 HydrophobicContact CG-CE2 4.36Å; V1014-F1366 WeakPolarHBondContact O-CZ 3.49Å; V1015-F1366 HydrophobicContact CG2-CE1 4.32Å; V1015-F1366 HydrophobicContact CG2-CZ 3.95Å; A1309-F1366 HydrophobicContact CB-CB 4.12Å; A1309-F1366 HydrophobicContact CB-CD2 4.09Å; A1309-F1366 HydrophobicContact CB-CG 4.32Å; A1310-F1366 HydrophobicContact CB-CD1 3.8Å; A1310-F1366 HydrophobicContact CB-CE1 4.35Å; A1310-F1366 HydrophobicContact CB-CG 4.43Å; M1339-F1366 HydrophobicContact CB-CD2 3.85Å; M1339-F1366 HydrophobicContact CB-CE2 4.23Å; M1339-F1366 HydrophobicContact CE-CB 3.88Å; M1339-F1366 HydrophobicContact CE-CD2 4.26Å; H1343-F1366 HydrophobicContact CB-CD1 4.19Å; H1343-F1366 HydrophobicContact CB-CE1 4.17Å; H1343-F1366 AromaticContact ND1-CE1 3.99Å; S1364-F1366 PolarHBondContact O-N 3.42Å; F1366-R1368 VanDerWaalsContact C-N 3.27Å; F1366-R1368 PolarHBondContact O-N 3.46Å; F1366-L1369 PolarHBondContact O-N 3.43Å; F1366-V1370 HydrophobicContact CD1-CG2 4.35Å; F1366-V1370 HydrophobicContact CE1-CG2 4.14Å; F1366-V1370 VanDerWaalsContact O-CG2 3.31Å; F1366-V1370 WeakPolarHBondContact O-CG2 3.27Å; F1366-V1370 PolarHBondContact O-N 3.32Å
1367A94.1Very high91.6Very high19 Ų1920.7 Ų20.716%0.15711%0.109CC..Hα-helixtrans-63.5-33.8179.300000112.4H1343 Q1363 S1364 V1370 K1371H1343-A1367 HydrophobicContact CB-CB 4.2Å; Q1363-A1367 HydrophobicContact CG-CB 4.47Å; S1364-A1367 PolarHBondContact O-N 3.33Å; S1364-A1367 VanDerWaalsContact O-N 3.09Å; S1364-A1367 WeakPolarHBondContact OG-CB 3.49Å; S1364-A1367 PolarHBondContact OG-N 2.81Å; A1367-V1370 PolarHBondContact O-N 3.31Å; A1367-K1371 WeakPolarHBondContact O-CB 3.45Å; A1367-K1371 WeakPolarHBondContact O-CG 3.43Å; A1367-K1371 PolarHBondContact O-N 2.89Å
1368R93.9Very high92.2Very high1 Ų119.9 Ų19.90%0.00410%0.104CC..Hα-helixtrans-65.6-45.5176.4-163168.985.38822112.3G547 L548 F550 L828 E1314 Q1363 S1364 L1365 F1366 V1370 K1371 L1372G547-R1368 WeakPolarHBondContact O-CD 3.23Å; G547-R1368 PolarHBondContact O-NH1 3.07Å; L548-R1368 HydrophobicContact CD2-CG 3.66Å; L548-R1368 PolarHBondContact O-NH1 3.46Å; F550-R1368 VanDerWaalsContact CE2-CZ 3.49Å; L828-R1368 PolarHBondContact O-NH2 3.1Å; E1314-R1368 WeakPolarHBondContact OE1-CD 3.37Å; E1314-R1368 IonicContact OE1-CZ 3.97Å; E1314-R1368 IonicContact OE1-NE 3.16Å; E1314-R1368 PolarHBondContact OE1-NE 2.94Å; E1314-R1368 IonicContact OE1-NH2 2.76Å; E1314-R1368 IonicContact OE2-NE 2.8Å; Q1363-R1368 HydrophobicContact CG-CB 4.27Å; S1364-R1368 PolarHBondContact O-N 2.96Å; L1365-R1368 PolarHBondContact O-N 2.89Å; F1366-R1368 VanDerWaalsContact C-N 3.27Å; F1366-R1368 PolarHBondContact O-N 3.46Å; R1368-V1370 VanDerWaalsContact C-N 3.35Å; R1368-K1371 WeakPolarHBondContact O-CB 3.33Å; R1368-K1371 PolarHBondContact O-N 2.74Å; R1368-L1372 WeakPolarHBondContact O-CG 3.38Å; R1368-L1372 PolarHBondContact O-N 2.96Å
1369L94.2Very high92.8Very high0 Ų017 Ų170%09%0.093CC..Hα-helixtrans-63.7-39.9176-68.6170000111.5L827 L828 L1011 L1013 W1337 M1339 L1365 F1366 K1371 L1372 G1373 V1374L827-L1369 HydrophobicContact CD2-CD2 4.32Å; L827-L1369 HydrophobicContact CG-CD2 4.12Å; L828-L1369 HydrophobicContact CD2-CD2 4.48Å; L1011-L1369 HydrophobicContact CD2-CD1 4.29Å; L1013-L1369 HydrophobicContact CD2-CB 3.74Å; L1013-L1369 HydrophobicContact CD2-CD1 4.25Å; W1337-L1369 HydrophobicContact CH2-CD1 4.5Å; M1339-L1369 HydrophobicContact SD-CD1 3.88Å; L1365-L1369 HydrophobicContact CD1-CD1 4.44Å; L1365-L1369 HydrophobicContact CD1-CG 4.26Å; L1365-L1369 HydrophobicContact CG-CD1 4.23Å; L1365-L1369 VanDerWaalsContact O-CG 3.28Å; L1365-L1369 WeakPolarHBondContact O-CG 2.98Å; L1365-L1369 PolarHBondContact O-N 3.32Å; F1366-L1369 PolarHBondContact O-N 3.43Å; L1369-K1371 PolarHBondContact O-N 3.43Å; L1369-L1372 HydrophobicContact CD2-CD1 4.46Å; L1369-L1372 PolarHBondContact O-N 3.09Å; L1369-G1373 PolarHBondContact O-N 3.17Å; L1369-V1374 HydrophobicContact CB-CB 4.26Å; L1369-V1374 HydrophobicContact CB-CG2 3.93Å; L1369-V1374 HydrophobicContact CD2-CG2 3.9Å; L1369-V1374 WeakPolarHBondContact O-CB 3.37Å; L1369-V1374 VanDerWaalsContact O-CG2 3.27Å; L1369-V1374 WeakPolarHBondContact O-CG2 3.39Å; L1369-V1374 PolarHBondContact O-N 2.98Å
1370V92.6Very high93Very high32 Ų3219.3 Ų19.319%0.19411%0.105CC..Hα-helixtrans-59.3-46.3171.9176.40000110.9L1013 F1366 A1367 R1368 L1372 G1373 T1376L1013-V1370 HydrophobicContact CD2-CG2 4.28Å; F1366-V1370 HydrophobicContact CD1-CG2 4.35Å; F1366-V1370 HydrophobicContact CE1-CG2 4.14Å; F1366-V1370 VanDerWaalsContact O-CG2 3.31Å; F1366-V1370 WeakPolarHBondContact O-CG2 3.27Å; F1366-V1370 PolarHBondContact O-N 3.32Å; A1367-V1370 PolarHBondContact O-N 3.31Å; R1368-V1370 VanDerWaalsContact C-N 3.35Å; V1370-L1372 VanDerWaalsContact C-N 3.35Å; V1370-L1372 PolarHBondContact O-N 3.4Å; V1370-G1373 WeakPolarHBondContact O-CA 3.43Å; V1370-G1373 PolarHBondContact O-N 3.43Å; V1370-T1376 HydrophobicContact CG2-CG2 4.01Å
1371K88.8Confident93.2Very high79 Ų7916.8 Ų16.834%0.3439%0.092SC..Hα-helixtrans-65.4-33.2178-78174.4161.5-117.20114.1E202 L548 A1367 R1368 L1369 G1373E202-K1371 VanDerWaalsContact CD-NZ 3.35Å; E202-K1371 IonicContact OE1-NZ 3.5Å; E202-K1371 PolarHBondContact OE1-NZ 2.99Å; E202-K1371 VanDerWaalsContact OE1-NZ 3.12Å; E202-K1371 IonicContact OE2-NZ 3.65Å; E202-K1371 PolarHBondContact OE2-NZ 3.08Å; L548-K1371 HydrophobicContact CD1-CB 4.28Å; L548-K1371 HydrophobicContact CD2-CB 3.9Å; L548-K1371 HydrophobicContact CD2-CD 4.22Å; A1367-K1371 WeakPolarHBondContact O-CB 3.45Å; A1367-K1371 WeakPolarHBondContact O-CG 3.43Å; A1367-K1371 PolarHBondContact O-N 2.89Å; R1368-K1371 WeakPolarHBondContact O-CB 3.33Å; R1368-K1371 PolarHBondContact O-N 2.74Å; L1369-K1371 PolarHBondContact O-N 3.43Å; K1371-G1373 PolarHBondContact O-N 2.83Å
1372L87.3Confident93.4Very high25 Ų2516.3 Ų16.313%0.1319%0.09CC..Hα-helixtrans-67-16172.3-78.2169.7000112.1L548 P834 R1368 L1369 V1370 V1374L548-L1372 HydrophobicContact CB-CD2 3.94Å; L548-L1372 HydrophobicContact CB-CG 4.47Å; P834-L1372 WeakPolarHBondContact CB-O 3.3Å; P834-L1372 WeakPolarHBondContact CG-O 3.33Å; R1368-L1372 WeakPolarHBondContact O-CG 3.38Å; R1368-L1372 PolarHBondContact O-N 2.96Å; L1369-L1372 HydrophobicContact CD2-CD1 4.46Å; L1369-L1372 PolarHBondContact O-N 3.09Å; V1370-L1372 VanDerWaalsContact C-N 3.35Å; V1370-L1372 PolarHBondContact O-N 3.4Å; L1372-V1374 HydrophobicContact CB-CG2 4.48Å
1373G87Confident93.5Very high1 Ų116.7 Ų16.71%0.019%0.094CC..THydrogen-bonded Turntrans87.126.1-177.800000113.1P834 A922 M923 L1369 V1370 K1371P834-G1373 VanDerWaalsContact CB-C 3.43Å; P834-G1373 VanDerWaalsContact CB-O 3.31Å; P834-G1373 WeakPolarHBondContact CB-O 3.24Å; A922-G1373 CarbonylContact C-O 3.55Å; A922-G1373 WeakPolarHBondContact CA-O 3.33Å; M923-G1373 PolarHBondContact N-O 3.06Å; M923-G1373 WeakPolarHBondContact O-CA 3.34Å; L1369-G1373 PolarHBondContact O-N 3.17Å; V1370-G1373 WeakPolarHBondContact O-CA 3.43Å; V1370-G1373 PolarHBondContact O-N 3.43Å; K1371-G1373 PolarHBondContact O-N 2.83Å
1374V92.3Very high93.5Very high4 Ų416.8 Ų16.82%0.0249%0.093CC..  trans-62.7136.7172.2-177.70000108.7L827 P834 L1011 L1013 L1369 L1372 T1376L827-V1374 HydrophobicContact CD1-CG2 3.8Å; L827-V1374 HydrophobicContact CD2-CG2 4.21Å; L827-V1374 HydrophobicContact CG-CG2 4.45Å; P834-V1374 HydrophobicContact CB-CG2 4.08Å; L1011-V1374 HydrophobicContact CD2-CG1 4.05Å; L1013-V1374 HydrophobicContact CD1-CB 4.28Å; L1013-V1374 HydrophobicContact CD1-CG1 3.46Å; L1013-V1374 VanDerWaalsContact CD1-CG1 3.46Å; L1369-V1374 HydrophobicContact CB-CB 4.26Å; L1369-V1374 HydrophobicContact CB-CG2 3.93Å; L1369-V1374 HydrophobicContact CD2-CG2 3.9Å; L1369-V1374 WeakPolarHBondContact O-CB 3.37Å; L1369-V1374 VanDerWaalsContact O-CG2 3.27Å; L1369-V1374 WeakPolarHBondContact O-CG2 3.39Å; L1369-V1374 PolarHBondContact O-N 2.98Å; L1372-V1374 HydrophobicContact CB-CG2 4.48Å; V1374-T1376 WeakPolarHBondContact O-CG2 3.39Å; V1374-T1376 PolarHBondContact O-N 2.92Å
1375P92.5Very high93.4Very high8 Ų816.6 Ų16.65%0.0529%0.092CC..  trans-54.5133.4178-26.734.7000113P834 A835 H838 V920P834-P1375 WeakPolarHBondContact O-CD 3.42Å; A835-P1375 HydrophobicContact CB-CG 3.73Å; H838-P1375 HydrophobicContact CB-CG 4.37Å; V920-P1375 HydrophobicContact CG1-CB 3.31Å; V920-P1375 HydrophobicContact CG1-CG 3.41Å; V920-P1375 VanDerWaalsContact CG1-CG 3.41Å
1376T94.5Very high93.3Very high26 Ų2617.1 Ų17.116%0.169%0.094CC..EExtended strand (participates in β ladder)trans-127147.2178.568.40000111.4M923 L1013 V1015 V1370 V1374M923-T1376 VanDerWaalsContact CE-O 3.27Å; M923-T1376 WeakPolarHBondContact CE-O 3.33Å; M923-T1376 HydrophobicContact SD-CG2 4.47Å; M923-T1376 PolarHBondContact SD-N 3.04Å; M923-T1376 PolarHBondContact SD-OG1 3.38Å; L1013-T1376 HydrophobicContact CB-CG2 3.93Å; L1013-T1376 HydrophobicContact CD2-CG2 4.49Å; L1013-T1376 WeakPolarHBondContact O-CA 3.32Å; V1015-T1376 HydrophobicContact CG2-CG2 4.26Å; V1370-T1376 HydrophobicContact CG2-CG2 4.01Å; V1374-T1376 WeakPolarHBondContact O-CG2 3.39Å; V1374-T1376 PolarHBondContact O-N 2.92Å
1377V94.8Very high93.1Very high22 Ų2219 Ų1913%0.13311%0.106CC..EExtended strand (participates in β ladder)trans-101.7110.4168.1-175.40000108.1A998 E1001 A1002 L1013 V1014 V1015A998-V1377 VanDerWaalsContact O-CG1 3.26Å; A998-V1377 WeakPolarHBondContact O-CG1 3.48Å; E1001-V1377 HydrophobicContact CB-CG1 4.38Å; E1001-V1377 HydrophobicContact CG-CG1 4.46Å; E1001-V1377 HydrophobicContact CG-CG2 4.16Å; A1002-V1377 HydrophobicContact CB-CB 4.27Å; A1002-V1377 HydrophobicContact CB-CG1 3.9Å; L1013-V1377 PolarHBondContact O-N 2.94Å; V1014-V1377 CarbonylContact C-O 3.45Å; V1014-V1377 WeakPolarHBondContact CA-O 3.47Å; V1015-V1377 PolarHBondContact N-O 3.11Å
1378Q96.1Very high93Very high37 Ų3720.2 Ų20.217%0.17311%0.114CC..EExtended strand (participates in β ladder)trans-89.6122.2174.7-170.6177.9-83.900110.6V1015 P1017 D1398V1015-Q1378 HydrophobicContact CB-CB 4.23Å; V1015-Q1378 HydrophobicContact CB-CG 4.12Å; V1015-Q1378 HydrophobicContact CG1-CG 4.07Å; V1015-Q1378 CarbonylContact O-C 3.41Å; V1015-Q1378 WeakPolarHBondContact O-CA 3.44Å; P1017-Q1378 HydrophobicContact CG-CG 4.26Å; Q1378-D1398 PolarHBondContact NE2-O 3.3Å
1379L96.8Very high93.1Very high0 Ų020.2 Ų20.20%011%0.114CC..  trans-70.3135.1174.9-51.8-176.4000110.2Q999 A1002 V1014 V1015 P1017 T1020 K1022 V1025Q999-L1379 HydrophobicContact CB-CD2 4.46Å; Q999-L1379 HydrophobicContact CG-CD2 3.83Å; A1002-L1379 HydrophobicContact CB-CD2 4.12Å; V1014-L1379 HydrophobicContact CG1-CD1 4.05Å; V1014-L1379 HydrophobicContact CG1-CD2 3.8Å; V1014-L1379 HydrophobicContact CG1-CG 3.77Å; V1015-L1379 PolarHBondContact O-N 2.94Å; P1017-L1379 VanDerWaalsContact CD-O 3.31Å; P1017-L1379 WeakPolarHBondContact CD-O 3.28Å; P1017-L1379 WeakPolarHBondContact CG-O 3.25Å; T1020-L1379 HydrophobicContact CG2-CB 4.25Å; K1022-L1379 HydrophobicContact CG-CD1 4.46Å; V1025-L1379 HydrophobicContact CG2-CD1 4.18Å; V1025-L1379 HydrophobicContact CG2-CD2 4.45Å
1380D95.1Very high93.1Very high49 Ų4920.4 Ų20.426%0.26212%0.115SC..  trans-115.1-8.6-156.562-17.3000115.3T996 A998 T1401T996-D1380 WeakPolarHBondContact CB-OD1 3.38Å; T996-D1380 PolarHBondContact OG1-OD1 3.42Å; A998-D1380 HydrophobicContact CB-CB 4.21Å; A998-D1380 WeakPolarHBondContact CB-OD1 3.39Å; D1380-T1401 PolarHBondContact O-N 3.11Å; D1380-T1401 PolarHBondContact O-OG1 3.24Å
1381A95.6Very high93.1Very high6 Ų625.4 Ų25.45%0.0513%0.13CC..EExtended strand (participates in β ladder)trans-133.8129.4178.300000112.5T996 T1020 T1401 L1403T996-A1381 HydrophobicContact CG2-CB 3.84Å; T1020-A1381 WeakPolarHBondContact CA-O 3.46Å; T1020-A1381 WeakPolarHBondContact CG2-O 3.35Å; A1381-T1401 CarbonylContact C-O 3.58Å; A1381-T1401 WeakPolarHBondContact CA-O 3.35Å; A1381-L1403 HydrophobicContact CB-CD2 3.64Å; A1381-L1403 HydrophobicContact CB-CG 3.84Å
1382Q95.1Very high93.4Very high0 Ų022 Ų220%012%0.116CC..EExtended strand (participates in β ladder)trans-98.9136.3178.280.482.422.800111.7G1019 T1020 A1385 L1400 T1401 D1402 L1403G1019-Q1382 WeakPolarHBondContact O-CA 3.28Å; T1020-Q1382 HydrophobicContact CG2-CB 4.2Å; Q1382-A1385 PolarHBondContact NE2-O 3.46Å; Q1382-L1400 HydrophobicContact CB-CD1 4.3Å; Q1382-T1401 PolarHBondContact N-O 3.11Å; Q1382-D1402 WeakPolarHBondContact CG-OD1 3.5Å; Q1382-D1402 PolarHBondContact NE2-OD1 3.39Å; Q1382-L1403 PolarHBondContact O-N 3.11Å
1383G92.9Very high93.7Very high14 Ų1420.9 Ų20.914%0.14411%0.11CC..  trans-114.19.7-178.900000115.1G1019 H1405G1019-G1383 PolarHBondContact O-N 3.01Å; G1383-H1405 PolarHBondContact O-NE2 2.93Å
1384R91.4Very high94Very high26 Ų2622.1 Ų22.110%0.09812%0.119CC..SBendtrans-98.8-48.5-166.3174.1174.862.3171.214.6113.5Y1412 Q1513 S1541 R1544R1384-Y1412 WeakPolarHBondContact O-CE1 3.1Å; R1384-Y1412 PolarHBondContact O-OH 3.36Å; R1384-Q1513 VanDerWaalsContact CD-CD 3.44Å; R1384-S1541 VanDerWaalsContact CZ-O 3.31Å; R1384-S1541 PolarHBondContact NH2-O 3.02Å; R1384-R1544 HydrophobicContact CG-CG 4.09Å
1385A94.3Very high93.9Very high0 Ų025.7 Ų25.70%013%0.132CC..SBendtrans-111.2166.7-170.900000111.2Q1382 L1389 R1544Q1382-A1385 PolarHBondContact NE2-O 3.46Å; A1385-L1389 HydrophobicContact CB-CB 4.18Å; A1385-R1544 WeakPolarHBondContact CA-O 3.46Å
1386R93.4Very high93.9Very high11 Ų1129.4 Ų29.44%0.04215%0.145CC..  trans-65.2150.8169.3-64176.3174.5173.6-1.9110.8S1388 L1389 S1390 Q1411 Y1412 L1414 N1416 R1544 L1545R1386-S1388 PolarHBondContact O-N 2.97Å; R1386-L1389 HydrophobicContact CB-CD1 3.8Å; R1386-L1389 HydrophobicContact CG-CD1 4.33Å; R1386-L1389 PolarHBondContact O-N 3.14Å; R1386-S1390 PolarHBondContact O-N 3.32Å; R1386-Q1411 PolarHBondContact NH2-O 3.07Å; R1386-Y1412 HydrophobicContact CG-CD1 3.83Å; R1386-Y1412 PolarHBondContact NE-O 2.8Å; R1386-L1414 PolarHBondContact NH1-O 3.23Å; R1386-L1414 PolarHBondContact NH2-O 3.16Å; R1386-N1416 PolarHBondContact NH1-OD1 3.05Å; R1386-R1544 PolarHBondContact N-O 2.67Å; R1386-L1545 HydrophobicContact CG-CD2 4.33Å; R1386-L1545 PolarHBondContact NH1-O 3.14Å; R1386-L1545 VanDerWaalsContact NH1-O 3.14Å
1387P93.3Very high93.8Very high38 Ų3828.6 Ų28.625%0.24714%0.139CC..Hα-helixtrans-52.7-36173-27.833.4000114.5L1389 S1390 R1391 D1402 L1407P1387-L1389 VanDerWaalsContact C-N 3.29Å; P1387-L1389 PolarHBondContact O-N 2.62Å; P1387-S1390 VanDerWaalsContact CA-OG 3.32Å; P1387-S1390 WeakPolarHBondContact CA-OG 3.42Å; P1387-S1390 PolarHBondContact O-OG 3.33Å; P1387-S1390 VanDerWaalsContact O-OG 3.13Å; P1387-R1391 VanDerWaalsContact O-CB 3.25Å; P1387-R1391 WeakPolarHBondContact O-CB 3.44Å; P1387-R1391 PolarHBondContact O-N 3.36Å; P1387-D1402 WeakPolarHBondContact CB-OD2 3.48Å; P1387-D1402 HydrophobicContact CG-CB 4.24Å; P1387-L1407 HydrophobicContact CG-CD2 3.49Å; P1387-L1407 VanDerWaalsContact CG-CD2 3.49Å; P1387-L1407 HydrophobicContact CG-CG 4.39Å
1388S91.7Very high93.3Very high46 Ų4633.7 Ų33.732%0.32217%0.165SC..Hα-helixtrans-64.3-31.8176.649.40000113.2R1386 D1422R1386-S1388 PolarHBondContact O-N 2.97Å; S1388-D1422 WeakPolarHBondContact CB-OD2 3.48Å; S1388-D1422 PolarHBondContact OG-OD2 2.87Å
1389L94.8Very high92.8Very high0 Ų042.5 Ų42.50%020%0.197CC..Hα-helixtrans-83.7-44.8175.3-78.488.5000111.4A1385 R1386 P1387 R1391 L1392 V1423 A1543 L1547A1385-L1389 HydrophobicContact CB-CB 4.18Å; R1386-L1389 HydrophobicContact CB-CD1 3.8Å; R1386-L1389 HydrophobicContact CG-CD1 4.33Å; R1386-L1389 PolarHBondContact O-N 3.14Å; P1387-L1389 VanDerWaalsContact C-N 3.29Å; P1387-L1389 PolarHBondContact O-N 2.62Å; L1389-R1391 PolarHBondContact O-N 2.87Å; L1389-L1392 VanDerWaalsContact O-CB 3.3Å; L1389-L1392 WeakPolarHBondContact O-CB 3.36Å; L1389-L1392 WeakPolarHBondContact O-CG 3.44Å; L1389-L1392 PolarHBondContact O-N 3.07Å; L1389-L1392 VanDerWaalsContact O-N 3.09Å; L1389-V1423 HydrophobicContact CD1-CG2 3.8Å; L1389-V1423 HydrophobicContact CG-CG2 3.67Å; L1389-A1543 HydrophobicContact CD2-CB 3.47Å; L1389-A1543 VanDerWaalsContact CD2-CB 3.47Å; L1389-L1547 HydrophobicContact CD2-CB 4.05Å
1390S94.7Very high92.6Very high4 Ų443.5 Ų43.53%0.02820%0.202CC..Hα-helixtrans-61.8-34.5-179.265.90000112.4R1386 P1387 L1392 Y1393 S1394 D1402R1386-S1390 PolarHBondContact O-N 3.32Å; P1387-S1390 VanDerWaalsContact CA-OG 3.32Å; P1387-S1390 WeakPolarHBondContact CA-OG 3.42Å; P1387-S1390 PolarHBondContact O-OG 3.33Å; P1387-S1390 VanDerWaalsContact O-OG 3.13Å; S1390-L1392 PolarHBondContact O-N 2.83Å; S1390-L1392 VanDerWaalsContact O-N 3.13Å; S1390-Y1393 PolarHBondContact O-N 2.92Å; S1390-Y1393 VanDerWaalsContact O-N 3.12Å; S1390-S1394 WeakPolarHBondContact O-CB 3.29Å; S1390-S1394 PolarHBondContact O-N 3.29Å; S1390-D1402 WeakPolarHBondContact CB-OD1 3.26Å; S1390-D1402 PolarHBondContact OG-OD1 3Å
1391R92.9Very high92.6Very high137 Ų13744.8 Ų44.852%0.51721%0.212SC..Hα-helixtrans-55.3-28.8174.4-173.2171.8-177.1158.51.8113.7P1387 L1389 Y1393 S1394 L1568P1387-R1391 VanDerWaalsContact O-CB 3.25Å; P1387-R1391 WeakPolarHBondContact O-CB 3.44Å; P1387-R1391 PolarHBondContact O-N 3.36Å; L1389-R1391 PolarHBondContact O-N 2.87Å; R1391-Y1393 PolarHBondContact O-N 2.85Å; R1391-S1394 PolarHBondContact O-OG 3.47Å; R1391-L1568 HydrophobicContact CG-CD2 4.33Å; R1391-L1568 WeakPolarHBondContact O-CD1 3.35Å
1392L94.1Very high92.6Very high8 Ų846.8 Ų46.84%0.04222%0.222CC..Hα-helixtrans-65.9-22.1-179-57.6174.4000113.3L1389 S1390 W1395 V1423 L1540 L1547 L1568 L1569L1389-L1392 VanDerWaalsContact O-CB 3.3Å; L1389-L1392 WeakPolarHBondContact O-CB 3.36Å; L1389-L1392 WeakPolarHBondContact O-CG 3.44Å; L1389-L1392 PolarHBondContact O-N 3.07Å; L1389-L1392 VanDerWaalsContact O-N 3.09Å; S1390-L1392 PolarHBondContact O-N 2.83Å; S1390-L1392 VanDerWaalsContact O-N 3.13Å; L1392-W1395 PolarHBondContact O-NE1 2.96Å; L1392-V1423 HydrophobicContact CD1-CG1 3.74Å; L1392-V1423 HydrophobicContact CD1-CG2 4.3Å; L1392-V1423 HydrophobicContact CD2-CG1 4.46Å; L1392-L1540 HydrophobicContact CB-CB 4.47Å; L1392-L1540 HydrophobicContact CB-CD1 4.18Å; L1392-L1540 HydrophobicContact CD1-CD2 4.27Å; L1392-L1547 HydrophobicContact CD1-CD2 3.79Å; L1392-L1568 HydrophobicContact CD2-CB 4.28Å; L1392-L1569 HydrophobicContact CD1-CD2 4.07Å; L1392-L1569 HydrophobicContact CD2-CD2 3.77Å; L1392-L1569 HydrophobicContact CD2-CG 4.11Å
1393Y94.3Very high92.5Very high1 Ų147.9 Ų47.90%0.00423%0.227CC..Hα-helixtrans-127.1-9.2-178.957.3-101.3000114.2P1018 S1390 R1391 W1395 R1396 Y1397 L1400 L1540P1018-Y1393 HydrophobicContact CB-CE2 4.28Å; P1018-Y1393 HydrophobicContact CG-CD2 4.3Å; P1018-Y1393 HydrophobicContact CG-CE2 4.07Å; S1390-Y1393 PolarHBondContact O-N 2.92Å; S1390-Y1393 VanDerWaalsContact O-N 3.12Å; R1391-Y1393 PolarHBondContact O-N 2.85Å; Y1393-W1395 PolarHBondContact O-N 2.95Å; Y1393-R1396 PolarHBondContact O-N 3.27Å; Y1393-Y1397 HydrophobicContact CD2-CE2 4.19Å; Y1393-Y1397 WeakPolarHBondContact O-CD2 3.46Å; Y1393-L1400 HydrophobicContact CD2-CD2 4.22Å; Y1393-L1400 HydrophobicContact CE2-CD2 4Å; Y1393-L1540 HydrophobicContact CD1-CB 4.33Å
1394S93.9Very high92.4Very high28 Ų2851.1 Ų51.120%0.19625%0.246CC..Hα-helixtrans-60.5-29-178.764.40000113.9S1390 R1391 R1396 Y1397S1390-S1394 WeakPolarHBondContact O-CB 3.29Å; S1390-S1394 PolarHBondContact O-N 3.29Å; R1391-S1394 PolarHBondContact O-OG 3.47Å; S1394-R1396 PolarHBondContact O-N 3Å; S1394-R1396 VanDerWaalsContact O-N 3.07Å; S1394-Y1397 PolarHBondContact O-N 2.83Å; S1394-Y1397 VanDerWaalsContact O-O 3.11Å
1395W90.8Very high92.3Very high79 Ų7952.2 Ų52.230%0.29925%0.252SS..THydrogen-bonded Turntrans-60.6-15.5177.165.2-90.2000114.7L1392 Y1393 Y1397 V1533 I1537 P1564 A1565 L1568L1392-W1395 PolarHBondContact O-NE1 2.96Å; Y1393-W1395 PolarHBondContact O-N 2.95Å; W1395-Y1397 VanDerWaalsContact C-N 3.34Å; W1395-V1533 HydrophobicContact CH2-CG1 3.83Å; W1395-V1533 HydrophobicContact CZ2-CG1 4.05Å; W1395-I1537 HydrophobicContact CZ2-CD1 4.25Å; W1395-P1564 HydrophobicContact CD2-CB 3.78Å; W1395-P1564 HydrophobicContact CE3-CB 3.72Å; W1395-P1564 HydrophobicContact CE3-CG 4.22Å; W1395-P1564 HydrophobicContact CH2-CB 3.71Å; W1395-P1564 HydrophobicContact CH2-CG 3.83Å; W1395-P1564 HydrophobicContact CZ2-CB 3.83Å; W1395-P1564 HydrophobicContact CZ2-CG 4.42Å; W1395-P1564 HydrophobicContact CZ3-CB 3.66Å; W1395-P1564 HydrophobicContact CZ3-CG 3.72Å; W1395-A1565 HydrophobicContact CZ2-CB 4.15Å; W1395-L1568 HydrophobicContact CG-CD1 4.4Å
1396R90.6Very high92.1Very high86 Ų8652.3 Ų52.333%0.32525%0.253SS..THydrogen-bonded Turntrans-81.3-12.8174.8-71.6-57-57.8-173.40.8114.2Y1393 S1394 I1537Y1393-R1396 PolarHBondContact O-N 3.27Å; S1394-R1396 PolarHBondContact O-N 3Å; S1394-R1396 VanDerWaalsContact O-N 3.07Å; R1396-I1537 HydrophobicContact CB-CD1 4.44Å; R1396-I1537 HydrophobicContact CG-CD1 3.44Å; R1396-I1537 VanDerWaalsContact CG-CD1 3.44Å; R1396-I1537 HydrophobicContact CG-CG1 3.91Å
1397Y93Very high91.9Very high9 Ų956.2 Ų56.24%0.03527%0.274CS..SBendtrans-122.2141.7-170.8-57.2-80.7000109.8P1017 P1018 D1342 H1344 Y1393 S1394 W1395 R1399 L1400P1017-Y1397 HydrophobicContact CB-CD1 3.84Å; P1017-Y1397 HydrophobicContact CB-CD2 4.23Å; P1017-Y1397 HydrophobicContact CB-CE1 3.71Å; P1017-Y1397 HydrophobicContact CB-CE2 4.15Å; P1017-Y1397 HydrophobicContact CB-CG 4.09Å; P1017-Y1397 HydrophobicContact CG-CD1 3.48Å; P1017-Y1397 VanDerWaalsContact CG-CD1 3.48Å; P1017-Y1397 HydrophobicContact CG-CE1 3.74Å; P1017-Y1397 HydrophobicContact CG-CG 3.91Å; P1018-Y1397 VanDerWaalsContact CD-OH 3.26Å; P1018-Y1397 WeakPolarHBondContact CD-OH 3.49Å; D1342-Y1397 PolarHBondContact OD2-OH 3.29Å; H1344-Y1397 HydrophobicContact CB-CE1 3.89Å; H1344-Y1397 AromaticContact ND1-CD1 3.79Å; H1344-Y1397 AromaticContact ND1-CE1 3.71Å; Y1393-Y1397 HydrophobicContact CD2-CE2 4.19Å; Y1393-Y1397 WeakPolarHBondContact O-CD2 3.46Å; S1394-Y1397 PolarHBondContact O-N 2.83Å; S1394-Y1397 VanDerWaalsContact O-O 3.11Å; W1395-Y1397 VanDerWaalsContact C-N 3.34Å; Y1397-R1399 PolarHBondContact O-N 3.39Å; Y1397-L1400 HydrophobicContact CD2-CD2 3.82Å; Y1397-L1400 HydrophobicContact CE2-CD2 4.39Å; Y1397-L1400 HydrophobicContact CG-CD2 4.39Å
1398D85.2Confident91.6Very high128 Ų12859.9 Ų59.968%0.68429%0.291SS*.THydrogen-bonded Turntrans-63.5105.1172.9-61.2-31.1000111.3Q1378Q1378-D1398 PolarHBondContact NE2-O 3.3Å
1399R84.2Confident91.4Very high223 Ų22361.6 Ų61.684%0.84229%0.294SS*.THydrogen-bonded Turntrans58.149.5173.2-60.9178.6-78-174-4.9114.7Y1397 T1401Y1397-R1399 PolarHBondContact O-N 3.39Å; R1399-T1401 PolarHBondContact O-N 3.04Å
1400L93.7Very high90.9Very high20 Ų2065.2 Ų65.211%0.10532%0.316CS..  trans-75.5114.4171.1-17664.9000111.7P1017 T1020 Q1382 Y1393 Y1397P1017-L1400 HydrophobicContact CB-CD1 4.03Å; P1017-L1400 HydrophobicContact CB-CD2 4.04Å; P1017-L1400 HydrophobicContact CG-CD1 4.22Å; T1020-L1400 HydrophobicContact CG2-CD1 3.72Å; Q1382-L1400 HydrophobicContact CB-CD1 4.3Å; Y1393-L1400 HydrophobicContact CD2-CD2 4.22Å; Y1393-L1400 HydrophobicContact CE2-CD2 4Å; Y1397-L1400 HydrophobicContact CD2-CD2 3.82Å; Y1397-L1400 HydrophobicContact CE2-CD2 4.39Å; Y1397-L1400 HydrophobicContact CG-CD2 4.39Å
1401T94.8Very high90.4Very high76 Ų7668.2 Ų68.247%0.46633%0.33SS..EExtended strand (participates in β ladder)trans-106.9179.1179.763.80000112.1D1380 A1381 Q1382 R1399D1380-T1401 PolarHBondContact O-N 3.11Å; D1380-T1401 PolarHBondContact O-OG1 3.24Å; A1381-T1401 CarbonylContact C-O 3.58Å; A1381-T1401 WeakPolarHBondContact CA-O 3.35Å; Q1382-T1401 PolarHBondContact N-O 3.11Å; R1399-T1401 PolarHBondContact O-N 3.04Å
1402D94.6Very high90.2Very high48 Ų4862.5 Ų62.526%0.25731%0.308SS..EExtended strand (participates in β ladder)trans-112.3139.2179.3-58.5-68.6000111.3Q1382 P1387 S1390Q1382-D1402 WeakPolarHBondContact CG-OD1 3.5Å; Q1382-D1402 PolarHBondContact NE2-OD1 3.39Å; P1387-D1402 WeakPolarHBondContact CB-OD2 3.48Å; P1387-D1402 HydrophobicContact CG-CB 4.24Å; S1390-D1402 WeakPolarHBondContact CB-OD1 3.26Å; S1390-D1402 PolarHBondContact OG-OD1 3Å
1403L93.4Very high89.7Confident24 Ų2469.4 Ų69.413%0.12633%0.334CS..  trans-72147.6177.4-75.3175.1000111.9T996 A1381 Q1382 H1405 T1406T996-L1403 HydrophobicContact CG2-CD2 3.94Å; A1381-L1403 HydrophobicContact CB-CD2 3.64Å; A1381-L1403 HydrophobicContact CB-CG 3.84Å; Q1382-L1403 PolarHBondContact O-N 3.11Å; L1403-H1405 VanDerWaalsContact C-N 3.29Å; L1403-H1405 PolarHBondContact O-N 3.32Å; L1403-H1405 VanDerWaalsContact O-N 3.11Å; L1403-T1406 WeakPolarHBondContact O-CB 3.27Å; L1403-T1406 PolarHBondContact O-N 3.31Å; L1403-T1406 PolarHBondContact O-OG1 3.45Å
1404P91Very high89.2Confident81 Ų8171.4 Ų71.453%0.52634%0.344SS..THydrogen-bonded Turntrans-56.4-33.3-172.7-27.935000115.6T1406 L1407 N1408P1404-T1406 VanDerWaalsContact C-N 3.26Å; P1404-T1406 PolarHBondContact O-N 2.95Å; P1404-L1407 WeakPolarHBondContact O-CB 3.42Å; P1404-L1407 PolarHBondContact O-N 3.1Å; P1404-L1407 VanDerWaalsContact O-N 3.11Å; P1404-N1408 PolarHBondContact O-N 3.01Å; P1404-N1408 VanDerWaalsContact O-N 3.11Å; P1404-N1408 PolarHBondContact O-ND2 3.32Å
1405H90Very high88.7Confident50 Ų5073.5 Ų73.523%0.23136%0.363CS..Hα-helixtrans-67.1-28-179.768.3-78.1000112.6G1383 L1403 L1407 N1408 E1409G1383-H1405 PolarHBondContact O-NE2 2.93Å; L1403-H1405 VanDerWaalsContact C-N 3.29Å; L1403-H1405 PolarHBondContact O-N 3.32Å; L1403-H1405 VanDerWaalsContact O-N 3.11Å; H1405-L1407 PolarHBondContact O-N 3.47Å; H1405-N1408 PolarHBondContact O-N 3.05Å; H1405-E1409 HydrophobicContact CB-CG 4.15Å; H1405-E1409 WeakPolarHBondContact O-CB 3.33Å; H1405-E1409 WeakPolarHBondContact O-CG 3.02Å; H1405-E1409 PolarHBondContact O-N 3.17Å
1406T90.6Very high88.8Confident2 Ų269.9 Ų69.91%0.01235%0.35CS..Hα-helixtrans-69.3-14.7174.668.80000113.4L1403 P1404 Y1412L1403-T1406 WeakPolarHBondContact O-CB 3.27Å; L1403-T1406 PolarHBondContact O-N 3.31Å; L1403-T1406 PolarHBondContact O-OG1 3.45Å; P1404-T1406 VanDerWaalsContact C-N 3.26Å; P1404-T1406 PolarHBondContact O-N 2.95Å; T1406-Y1412 HydrophobicContact CG2-CE1 4.4Å; T1406-Y1412 WeakPolarHBondContact O-CB 3.47Å
1407L88.7Confident88.7Confident92 Ų9267 Ų6748%0.48234%0.342SS..Hα-helixtrans-96.7-36.1174.9-64167.6000111.8P1387 P1404 H1405 R1413P1387-L1407 HydrophobicContact CG-CD2 3.49Å; P1387-L1407 VanDerWaalsContact CG-CD2 3.49Å; P1387-L1407 HydrophobicContact CG-CG 4.39Å; P1404-L1407 WeakPolarHBondContact O-CB 3.42Å; P1404-L1407 PolarHBondContact O-N 3.1Å; P1404-L1407 VanDerWaalsContact O-N 3.11Å; H1405-L1407 PolarHBondContact O-N 3.47Å; L1407-R1413 WeakPolarHBondContact O-CD 3.18Å; L1407-R1413 WeakPolarHBondContact O-CG 3.2Å
1408N87.2Confident88.6Confident116 Ų11666.5 Ų66.562%0.6234%0.34SS*.Hα-helixtrans-96-35.6-167.5-64.6-22.9000113.8P1404 H1405P1404-N1408 PolarHBondContact O-N 3.01Å; P1404-N1408 VanDerWaalsContact O-N 3.11Å; P1404-N1408 PolarHBondContact O-ND2 3.32Å; H1405-N1408 PolarHBondContact O-N 3.05Å
1409E86.1Confident89.1Confident82 Ų8260.7 Ų60.738%0.38331%0.309SS..SBendtrans-70.6141.1-175.8-70.3-179.5-178.800112.3H1405 Q1411 Y1412 R1413H1405-E1409 HydrophobicContact CB-CG 4.15Å; H1405-E1409 WeakPolarHBondContact O-CB 3.33Å; H1405-E1409 WeakPolarHBondContact O-CG 3.02Å; H1405-E1409 PolarHBondContact O-N 3.17Å; E1409-Q1411 VanDerWaalsContact C-N 3.28Å; E1409-Q1411 HydrophobicContact CB-CG 4.33Å; E1409-Q1411 PolarHBondContact O-N 3.01Å; E1409-Q1411 PolarHBondContact OE2-NE2 3.39Å; E1409-Y1412 HydrophobicContact CB-CD2 4.05Å; E1409-Y1412 PolarHBondContact O-N 2.88Å; E1409-R1413 PolarHBondContact O-N 3.22Å
1410V84.2Confident89.4Confident76 Ų7655 Ų5546%0.46129%0.288SS..Hα-helixtrans-54.7-41.8-173.91780000112.4Y1412 R1413 L1414V1410-Y1412 PolarHBondContact O-N 3.41Å; V1410-R1413 PolarHBondContact O-N 3.44Å; V1410-L1414 HydrophobicContact CG1-CD1 3.9Å; V1410-L1414 HydrophobicContact CG1-CD2 4.44Å; V1410-L1414 HydrophobicContact CG1-CG 3.98Å; V1410-L1414 WeakPolarHBondContact O-CG 3.07Å; V1410-L1414 PolarHBondContact O-N 3.16Å; V1410-L1414 VanDerWaalsContact O-N 3.12Å
1411Q84.8Confident89.3Confident67 Ų6757.2 Ų57.231%0.31330%0.295SS..Hα-helixtrans-59.2-30-178.662.9-173.5-300113.9R1386 E1409 L1545R1386-Q1411 PolarHBondContact NH2-O 3.07Å; E1409-Q1411 VanDerWaalsContact C-N 3.28Å; E1409-Q1411 HydrophobicContact CB-CG 4.33Å; E1409-Q1411 PolarHBondContact O-N 3.01Å; E1409-Q1411 PolarHBondContact OE2-NE2 3.39Å; Q1411-L1545 WeakPolarHBondContact O-CD2 3.39Å
1412Y88.7Confident89.2Confident17 Ų1755.5 Ų55.57%0.06728%0.283CS..Hα-helixtrans-87.3-20.8178-64.6-82.1000113.1R1384 R1386 T1406 E1409 V1410 R1544 L1545R1384-Y1412 WeakPolarHBondContact O-CE1 3.1Å; R1384-Y1412 PolarHBondContact O-OH 3.36Å; R1386-Y1412 HydrophobicContact CG-CD1 3.83Å; R1386-Y1412 PolarHBondContact NE-O 2.8Å; T1406-Y1412 HydrophobicContact CG2-CE1 4.4Å; T1406-Y1412 WeakPolarHBondContact O-CB 3.47Å; E1409-Y1412 HydrophobicContact CB-CD2 4.05Å; E1409-Y1412 PolarHBondContact O-N 2.88Å; V1410-Y1412 PolarHBondContact O-N 3.41Å; Y1412-R1544 PolarHBondContact OH-NH2 2.77Å; Y1412-L1545 HydrophobicContact CD1-CD2 3.97Å; Y1412-L1545 HydrophobicContact CE1-CD2 4.22Å
1413R84.4Confident89.2Confident152 Ų15253.3 Ų53.357%0.57427%0.271SS*.Hα-helixtrans-88.8-26.4-179.5-66.5-176.464.4-170-0.8114.5L1407 E1409 V1410L1407-R1413 WeakPolarHBondContact O-CD 3.18Å; L1407-R1413 WeakPolarHBondContact O-CG 3.2Å; E1409-R1413 PolarHBondContact O-N 3.22Å; V1410-R1413 PolarHBondContact O-N 3.44Å
1414L83.9Confident89.3Confident44 Ų4452.2 Ų52.223%0.2327%0.265CS..SBendtrans-64.2132.9-179.1-72.3171.2000111.5R1386 V1410 P1596 V1601R1386-L1414 PolarHBondContact NH1-O 3.23Å; R1386-L1414 PolarHBondContact NH2-O 3.16Å; V1410-L1414 HydrophobicContact CG1-CD1 3.9Å; V1410-L1414 HydrophobicContact CG1-CD2 4.44Å; V1410-L1414 HydrophobicContact CG1-CG 3.98Å; V1410-L1414 WeakPolarHBondContact O-CG 3.07Å; V1410-L1414 PolarHBondContact O-N 3.16Å; V1410-L1414 VanDerWaalsContact O-N 3.12Å; L1414-P1596 HydrophobicContact CD1-CB 4.01Å; L1414-P1596 HydrophobicContact CD1-CG 4.02Å; L1414-V1601 HydrophobicContact CD1-CG1 4.5Å
1415A83.6Confident89.5Confident72 Ų7248.6 Ų48.660%0.59524%0.242SC*.  trans-62155.3169.500000110.9P1417A1415-P1417 WeakPolarHBondContact O-CD 3.44Å
1416N91.8Very high89.9Confident3 Ų346.3 Ų46.32%0.01623%0.231CC..  trans-78.3109.4176.2-68.1-3.9000109R1386 G1418 F1419 D1422 L1545 G1546 Y1548R1386-N1416 PolarHBondContact NH1-OD1 3.05Å; N1416-G1418 PolarHBondContact O-N 2.97Å; N1416-F1419 HydrophobicContact CB-CB 4.37Å; N1416-F1419 HydrophobicContact CB-CD2 4.47Å; N1416-F1419 PolarHBondContact O-N 3.22Å; N1416-F1419 VanDerWaalsContact O-N 3.07Å; N1416-D1422 WeakPolarHBondContact ND2-CA 3.42Å; N1416-L1545 PolarHBondContact ND2-O 3.45Å; N1416-L1545 PolarHBondContact OD1-O 3.42Å; N1416-G1546 WeakPolarHBondContact ND2-CA 3.46Å; N1416-Y1548 PolarHBondContact ND2-OH 3.18Å; N1416-Y1548 VanDerWaalsContact ND2-OH 3.1Å
1417P89Confident90.2Very high24 Ų2447.9 Ų47.916%0.15624%0.239CC..THydrogen-bonded Turntrans-57.1130.3-173.8-27.638.4000112.8A1415 F1419 Y1465 E1591 V1592A1415-P1417 WeakPolarHBondContact O-CD 3.44Å; P1417-F1419 VanDerWaalsContact C-N 3.33Å; P1417-Y1465 HydrophobicContact CB-CE2 4.4Å; P1417-Y1465 WeakPolarHBondContact CD-OH 3.38Å; P1417-Y1465 VanDerWaalsContact N-OH 3.1Å; P1417-Y1465 VanDerWaalsContact O-CE2 3.26Å; P1417-Y1465 WeakPolarHBondContact O-CE2 3.34Å; P1417-Y1465 PolarHBondContact O-OH 3.21Å; P1417-E1591 CarbonylContact C-O 3.43Å; P1417-E1591 HydrophobicContact CB-CB 4.23Å; P1417-V1592 WeakPolarHBondContact CB-O 3.06Å
1418G91.7Very high90.6Very high0 Ų043.7 Ų43.70%022%0.217CC..THydrogen-bonded Turntrans89.2-4.5-179.900000114.5N1416 Y1459 L1587 T1588 E1591N1416-G1418 PolarHBondContact O-N 2.97Å; G1418-Y1459 WeakPolarHBondContact CA-OH 3.37Å; G1418-Y1459 PolarHBondContact O-OH 3.21Å; G1418-L1587 WeakPolarHBondContact O-CA 3.05Å; G1418-T1588 WeakPolarHBondContact CA-O 3.31Å; G1418-T1588 WeakPolarHBondContact CA-OG1 3.35Å; G1418-T1588 PolarHBondContact O-N 2.9Å; G1418-E1591 PolarHBondContact N-O 3.04Å
1419F93.8Very high90.9Very high5 Ų543.7 Ų43.72%0.02221%0.214CC..BIsolated β-bridgetrans-125.6133.6178.3-62.2-91.1000111.2N1416 P1417 Y1421 V1456 Y1459 M1460 Y1548 L1585 L1587 T1588N1416-F1419 HydrophobicContact CB-CB 4.37Å; N1416-F1419 HydrophobicContact CB-CD2 4.47Å; N1416-F1419 PolarHBondContact O-N 3.22Å; N1416-F1419 VanDerWaalsContact O-N 3.07Å; P1417-F1419 VanDerWaalsContact C-N 3.33Å; F1419-Y1421 VanDerWaalsContact C-N 3.27Å; F1419-Y1421 PolarHBondContact O-N 3.29Å; F1419-V1456 HydrophobicContact CE1-CG1 3.99Å; F1419-V1456 HydrophobicContact CZ-CG1 3.93Å; F1419-Y1459 HydrophobicContact CE1-CD1 4.38Å; F1419-Y1459 HydrophobicContact CE1-CE1 4.27Å; F1419-Y1459 HydrophobicContact CE2-CD1 4.3Å; F1419-Y1459 HydrophobicContact CE2-CE1 4.05Å; F1419-Y1459 AromaticContact CZ-CD1 3.86Å; F1419-Y1459 HydrophobicContact CZ-CD1 3.86Å; F1419-Y1459 AromaticContact CZ-CE1 3.9Å; F1419-Y1459 HydrophobicContact CZ-CE1 3.9Å; F1419-M1460 HydrophobicContact CE2-CE 4.4Å; F1419-M1460 HydrophobicContact CE2-CG 3.73Å; F1419-M1460 HydrophobicContact CE2-SD 4.29Å; F1419-M1460 HydrophobicContact CZ-CG 3.63Å; F1419-M1460 HydrophobicContact CZ-SD 4.08Å; F1419-Y1548 HydrophobicContact CB-CE1 4.03Å; F1419-Y1548 WeakPolarHBondContact CB-OH 3.46Å; F1419-Y1548 HydrophobicContact CD1-CD1 4.02Å; F1419-Y1548 AromaticContact CD1-CE1 3.34Å; F1419-Y1548 HydrophobicContact CD1-CE1 3.34Å; F1419-Y1548 HydrophobicContact CD1-CE2 4.28Å; F1419-Y1548 AromaticContact CD1-CZ 3.52Å; F1419-Y1548 HydrophobicContact CD2-CE2 4.41Å; F1419-Y1548 AromaticContact CD2-CZ 3.92Å; F1419-Y1548 HydrophobicContact CE1-CD1 4.17Å; F1419-Y1548 AromaticContact CE1-CE1 3.87Å; F1419-Y1548 HydrophobicContact CE1-CE1 3.87Å; F1419-Y1548 HydrophobicContact CE1-CE2 4.25Å; F1419-Y1548 AromaticContact CE1-CZ 3.93Å; F1419-Y1548 HydrophobicContact CE2-CE2 4.39Å; F1419-Y1548 AromaticContact CG-CE1 3.75Å; F1419-Y1548 HydrophobicContact CG-CE1 3.75Å; F1419-Y1548 HydrophobicContact CG-CE2 4.35Å; F1419-Y1548 AromaticContact CG-CZ 3.5Å; F1419-Y1548 VanDerWaalsContact CG-CZ 3.5Å; F1419-Y1548 WeakPolarHBondContact CG-OH 3.34Å; F1419-Y1548 HydrophobicContact CZ-CE2 4.3Å; F1419-L1585 HydrophobicContact CD1-CD1 4.37Å; F1419-L1585 HydrophobicContact CE1-CD1 4.35Å; F1419-L1587 HydrophobicContact CD1-CD2 3.74Å; F1419-L1587 HydrophobicContact CE1-CD2 3.82Å; F1419-T1588 PolarHBondContact N-OG1 3.34Å; F1419-T1588 VanDerWaalsContact N-OG1 3.16Å
1420R90.7Very high91.2Very high105 Ų10543.4 Ų43.440%0.39622%0.215SC..SBendtrans-68.7-28.4176.3-174.660.3178.2-156.31112.9H1586 T1588 L1614 P1618R1420-H1586 HydrophobicContact CB-CB 3.84Å; R1420-H1586 PolarHBondContact N-O 3.06Å; R1420-T1588 HydrophobicContact CB-CG2 4.39Å; R1420-L1614 PolarHBondContact NH1-O 3.14Å; R1420-P1618 HydrophobicContact CB-CB 4.47Å
1421Y92.1Very high91.5Very high66 Ų6643.4 Ų43.426%0.25921%0.207SC..  trans-124.2145.2-178.3-56.1-75.8000110.5F1419 Y1548 P1582 H1586F1419-Y1421 VanDerWaalsContact C-N 3.27Å; F1419-Y1421 PolarHBondContact O-N 3.29Å; Y1421-Y1548 WeakPolarHBondContact O-CE1 3.31Å; Y1421-Y1548 PolarHBondContact O-OH 3.16Å; Y1421-P1582 HydrophobicContact CE2-CG 3.6Å; Y1421-P1582 WeakPolarHBondContact OH-CD 3.43Å; Y1421-H1586 HydrophobicContact CD2-CB 4.27Å; Y1421-H1586 HydrophobicContact CE2-CB 4.04Å
1422D91.8Very high91.6Very high39 Ų3948.3 Ų48.321%0.20923%0.227CC..SBendtrans-77.9-30.6172.960.3-18.2000112.7S1388 N1416 G1546 L1547S1388-D1422 WeakPolarHBondContact CB-OD2 3.48Å; S1388-D1422 PolarHBondContact OG-OD2 2.87Å; N1416-D1422 WeakPolarHBondContact ND2-CA 3.42Å; D1422-G1546 WeakPolarHBondContact O-CA 3.49Å; D1422-L1547 PolarHBondContact O-N 2.77Å
1423V94.6Very high91.5Very high2 Ų250.6 Ų50.61%0.01226%0.256CS..EExtended strand (participates in β ladder)trans-127.6122.9171.8-1770000109.9L1389 L1392 L1547 L1569 K1581L1389-V1423 HydrophobicContact CD1-CG2 3.8Å; L1389-V1423 HydrophobicContact CG-CG2 3.67Å; L1392-V1423 HydrophobicContact CD1-CG1 3.74Å; L1392-V1423 HydrophobicContact CD1-CG2 4.3Å; L1392-V1423 HydrophobicContact CD2-CG1 4.46Å; V1423-L1547 VanDerWaalsContact CA-O 3.31Å; V1423-L1547 WeakPolarHBondContact CA-O 3.38Å; V1423-L1547 HydrophobicContact CG2-CB 4.37Å; V1423-L1569 HydrophobicContact CG1-CD2 3.71Å; V1423-K1581 PolarHBondContact O-NZ 2.68Å
1424Q95.6Very high91.6Very high2 Ų248.4 Ų48.41%0.00926%0.255CS..EExtended strand (participates in β ladder)trans-138.2139.8174.6-164167.925.800112.1I1426 L1547 Y1548 I1549 P1582 E1584Q1424-I1426 HydrophobicContact CB-CD1 4.23Å; Q1424-I1426 HydrophobicContact CG-CD1 4.33Å; Q1424-I1426 HydrophobicContact CG-CG1 4.41Å; Q1424-I1426 WeakPolarHBondContact O-CD1 3.24Å; Q1424-L1547 PolarHBondContact N-O 2.92Å; Q1424-Y1548 HydrophobicContact CB-CD1 4.19Å; Q1424-I1549 PolarHBondContact O-N 3Å; Q1424-P1582 PolarHBondContact NE2-O 3.33Å; Q1424-E1584 PolarHBondContact NE2-O 3.24Å
1425L96.8Very high91.9Very high5 Ų546.7 Ų46.73%0.02625%0.247CC..EExtended strand (participates in β ladder)trans-102117168.6177.267.4000108.4I1549 A1551 I1553 F1566 L1569 L1570L1425-I1549 HydrophobicContact CD1-CB 3.84Å; L1425-I1549 HydrophobicContact CD1-CG2 3.7Å; L1425-A1551 HydrophobicContact CD1-CB 4.15Å; L1425-I1553 HydrophobicContact CD1-CG1 4.44Å; L1425-I1553 HydrophobicContact CD2-CD1 3.8Å; L1425-I1553 HydrophobicContact CD2-CG1 3.85Å; L1425-I1553 HydrophobicContact CD2-CG2 4.21Å; L1425-I1553 HydrophobicContact CG-CD1 3.71Å; L1425-I1553 HydrophobicContact CG-CG1 3.89Å; L1425-F1566 HydrophobicContact CD1-CE1 4.05Å; L1425-F1566 HydrophobicContact CD2-CD1 3.58Å; L1425-F1566 HydrophobicContact CD2-CE1 3.71Å; L1425-L1569 HydrophobicContact CB-CB 4.25Å; L1425-L1569 HydrophobicContact CD2-CB 4.27Å; L1425-L1569 HydrophobicContact CD2-CD1 4.4Å; L1425-L1570 HydrophobicContact CD2-CD2 4.21Å; L1425-L1570 HydrophobicContact CD2-CG 4.37Å
1426I97.6Very high92.2Very high1 Ų143.5 Ų43.51%0.00522%0.22CC..EExtended strand (participates in β ladder)trans-102.4122.5-175.6-5888.7000108.7Q1424 Y1452 I1549 F1550 A1551 T1583 L1585Q1424-I1426 HydrophobicContact CB-CD1 4.23Å; Q1424-I1426 HydrophobicContact CG-CD1 4.33Å; Q1424-I1426 HydrophobicContact CG-CG1 4.41Å; Q1424-I1426 WeakPolarHBondContact O-CD1 3.24Å; I1426-Y1452 HydrophobicContact CG2-CE1 3.83Å; I1426-I1549 WeakPolarHBondContact CD1-O 3.4Å; I1426-I1549 PolarHBondContact N-O 3.01Å; I1426-F1550 HydrophobicContact CB-CD1 4.07Å; I1426-F1550 HydrophobicContact CB-CE1 4.28Å; I1426-F1550 HydrophobicContact CD1-CE1 4.42Å; I1426-F1550 HydrophobicContact CD1-CE2 4.42Å; I1426-F1550 HydrophobicContact CD1-CZ 4.29Å; I1426-F1550 HydrophobicContact CG1-CE1 4.36Å; I1426-F1550 HydrophobicContact CG2-CD1 4.11Å; I1426-F1550 HydrophobicContact CG2-CE1 4.24Å; I1426-A1551 PolarHBondContact O-N 2.89Å; I1426-A1551 VanDerWaalsContact O-N 3.09Å; I1426-T1583 WeakPolarHBondContact CA-O 3.45Å; I1426-L1585 HydrophobicContact CD1-CD1 4.3Å; I1426-L1585 HydrophobicContact CG1-CB 4.14Å; I1426-L1585 HydrophobicContact CG1-CD1 4.03Å; I1426-L1585 HydrophobicContact CG2-CB 4.42Å
1427N97.1Very high92.2Very high35 Ų3545.4 Ų45.419%0.18723%0.234CC..EExtended strand (participates in β ladder)trans-76.1130.5173.6-171.655.7000110.1E1429 A1551 I1553 T1583N1427-E1429 PolarHBondContact ND2-OE1 3.03Å; N1427-A1551 WeakPolarHBondContact CA-O 3.33Å; N1427-I1553 HydrophobicContact CB-CD1 3.63Å; N1427-I1553 HydrophobicContact CB-CG1 3.87Å; N1427-I1553 PolarHBondContact OD1-N 2.88Å; N1427-I1553 VanDerWaalsContact OD1-N 3.14Å; N1427-T1583 PolarHBondContact N-O 3.16Å
1428V96.3Very high92Very high4 Ų448.1 Ų48.12%0.02425%0.245CC..  trans-115.7112.3175.6-174.20000109.3A1448 E1449 Y1452 F1550 A1551 R1552V1428-A1448 HydrophobicContact CG1-CB 3.56Å; V1428-E1449 HydrophobicContact CB-CG 3.89Å; V1428-E1449 HydrophobicContact CG1-CG 3.93Å; V1428-E1449 HydrophobicContact CG2-CG 3.96Å; V1428-Y1452 HydrophobicContact CG1-CD1 4.46Å; V1428-Y1452 HydrophobicContact CG2-CD1 3.84Å; V1428-Y1452 HydrophobicContact CG2-CE1 4.38Å; V1428-F1550 HydrophobicContact CG2-CB 3.99Å; V1428-F1550 HydrophobicContact CG2-CD1 4.08Å; V1428-A1551 PolarHBondContact N-O 3.18Å; V1428-R1552 VanDerWaalsContact O-CZ 3.25Å; V1428-R1552 PolarHBondContact O-NE 3.13Å; V1428-R1552 PolarHBondContact O-NH2 3.49Å
1429E93.6Very high91.5Very high116 Ų11652.3 Ų52.354%0.54227%0.272SS..PPolyproline II helixtrans-76.7167.8176.6-71.6-60.2144.200112.6N1427 Y1431 R1552N1427-E1429 PolarHBondContact ND2-OE1 3.03Å; E1429-Y1431 PolarHBondContact O-N 2.76Å; E1429-R1552 IonicContact OE1-NH1 2.71Å; E1429-R1552 PolarHBondContact OE1-NH1 2.76Å; E1429-R1552 VanDerWaalsContact OE1-NH1 3.12Å; E1429-R1552 IonicContact OE2-CZ 2.73Å; E1429-R1552 IonicContact OE2-NH1 3.71Å; E1429-R1552 PolarHBondContact OE2-NH1 3.35Å; E1429-R1552 IonicContact OE2-NH2 3.43Å
1430D92.4Very high90.6Very high76 Ų7654.7 Ų54.741%0.40629%0.289SS..PPolyproline II helixtrans-70128.4-176.1-78.2-11.2000109.5G1435 R1552D1430-G1435 WeakPolarHBondContact OD1-CA 3.24Å; D1430-G1435 PolarHBondContact OD1-N 3.43Å; D1430-R1552 VanDerWaalsContact CG-NH2 3.27Å; D1430-R1552 IonicContact OD1-CZ 3.56Å; D1430-R1552 IonicContact OD1-NH2 2.94Å; D1430-R1552 PolarHBondContact OD1-NH2 2.61Å
1431Y90.6Very high89.5Confident77 Ų7753 Ų5330%0.30229%0.291SS..BIsolated β-bridgetrans-92.5121.7178.2-179.9-113.5000109.8E1429 G1433 I1434 L1447 M1624 P1625E1429-Y1431 PolarHBondContact O-N 2.76Å; Y1431-G1433 PolarHBondContact O-N 3.49Å; Y1431-I1434 PolarHBondContact N-O 2.99Å; Y1431-I1434 PolarHBondContact O-N 2.89Å; Y1431-L1447 HydrophobicContact CD1-CD2 4.31Å; Y1431-L1447 HydrophobicContact CE1-CD2 4.38Å; Y1431-M1624 HydrophobicContact CD1-CE 4.02Å; Y1431-M1624 HydrophobicContact CD2-CE 3.55Å; Y1431-M1624 HydrophobicContact CE1-CE 4.16Å; Y1431-M1624 HydrophobicContact CE2-CE 3.72Å; Y1431-M1624 HydrophobicContact CG-CE 3.7Å; Y1431-P1625 HydrophobicContact CD2-CG 4.08Å; Y1431-P1625 HydrophobicContact CE2-CG 3.88Å
1432K88.5Confident88.5Confident170 Ų17054.6 Ų54.674%0.73930%0.3SS*.THydrogen-bonded Turntrans54.832.9-173-57.9177.3176.81730113I1434K1432-I1434 PolarHBondContact O-N 2.97Å
1433G85.5Confident88.1Confident65 Ų6555.5 Ų55.567%0.6730%0.302SS*.THydrogen-bonded Turntrans73.611.7-177.600000114.6Y1431Y1431-G1433 PolarHBondContact O-N 3.49Å
1434I86.8Confident88Confident105 Ų10556.7 Ų56.754%0.53831%0.307SS..BIsolated β-bridgetrans-117.1119.2177.8-55.7172.6000108.4Y1431 K1432Y1431-I1434 PolarHBondContact N-O 2.99Å; Y1431-I1434 PolarHBondContact O-N 2.89Å; K1432-I1434 PolarHBondContact O-N 2.97Å
1435G89.1Confident88Confident8 Ų858 Ų588%0.08231%0.312CS..  trans-87.8-105.3169.400000111.1D1430D1430-G1435 WeakPolarHBondContact OD1-CA 3.24Å; D1430-G1435 PolarHBondContact OD1-N 3.43Å
1436E90.6Very high88Confident6 Ų657.8 Ų57.83%0.02831%0.312CS..  trans-75.7137.9170.874.5-171.8-143.500112.1Q1445 R1523 T1524 R1525E1436-Q1445 CarbonylContact C-O 3.51Å; E1436-Q1445 WeakPolarHBondContact CA-O 3.47Å; E1436-R1523 IonicContact OE1-CZ 2.72Å; E1436-R1523 IonicContact OE1-NE 3.38Å; E1436-R1523 PolarHBondContact OE1-NE 2.67Å; E1436-R1523 IonicContact OE1-NH2 2.62Å; E1436-R1523 PolarHBondContact OE1-NH2 2.85Å; E1436-R1523 WeakPolarHBondContact OE2-CA 3.42Å; E1436-R1523 WeakPolarHBondContact OE2-CB 3.03Å; E1436-R1523 IonicContact OE2-CZ 3.47Å; E1436-R1523 IonicContact OE2-NE 3.48Å; E1436-R1523 PolarHBondContact OE2-NE 3.31Å; E1436-R1523 IonicContact OE2-NH2 3.45Å; E1436-T1524 HydrophobicContact CB-CG2 4.45Å; E1436-T1524 PolarHBondContact N-OG1 3.22Å; E1436-T1524 VanDerWaalsContact N-OG1 3.15Å; E1436-T1524 PolarHBondContact OE2-N 3.11Å; E1436-R1525 HydrophobicContact CG-CG 4.07Å; E1436-R1525 PolarHBondContact OE2-N 3.39Å
1437S91.5Very high88Confident42 Ų4261.3 Ų61.329%0.29433%0.33SS..BIsolated β-bridgetrans-118.4150.7169.661.20000110.4Q1445S1437-Q1445 PolarHBondContact N-O 3.07Å; S1437-Q1445 PolarHBondContact O-N 3.09Å; S1437-Q1445 PolarHBondContact OG-O 3.31Å
1438E85.5Confident88Confident82 Ų8259.7 Ų59.738%0.38332%0.322SS..  trans-131.382.8-179.4-176177.5-176.900108.4S1440 P1441 F1442 Y1444E1438-S1440 VanDerWaalsContact C-N 3.27Å; E1438-S1440 WeakPolarHBondContact CG-O 3.26Å; E1438-S1440 PolarHBondContact O-N 2.83Å; E1438-P1441 WeakPolarHBondContact OE1-CA 3.47Å; E1438-F1442 PolarHBondContact OE1-N 3.1Å; E1438-Y1444 HydrophobicContact CB-CD1 4.38Å; E1438-Y1444 HydrophobicContact CG-CD1 4.38Å; E1438-Y1444 HydrophobicContact CG-CE1 4.26Å
1439P82Confident88.1Confident88 Ų8859.5 Ų59.557%0.57132%0.321SS*.SBendtrans-63.3-31.9-176.5-2333.7000113.7F1443 Q1445P1439-F1443 VanDerWaalsContact CD-O 3.22Å; P1439-F1443 WeakPolarHBondContact CD-O 3.33Å; P1439-Q1445 VanDerWaalsContact CG-OE1 3.31Å
1440S73.2Confident88.3Confident55 Ų5554 Ų5439%0.38530%0.295SS..SBendtrans-132.6155.1167.1650000108.7E1438 F1442 F1443E1438-S1440 VanDerWaalsContact C-N 3.27Å; E1438-S1440 WeakPolarHBondContact CG-O 3.26Å; E1438-S1440 PolarHBondContact O-N 2.83Å; S1440-F1442 PolarHBondContact O-N 3.21Å; S1440-F1443 VanDerWaalsContact O-CB 3.23Å; S1440-F1443 WeakPolarHBondContact O-CB 3.5Å; S1440-F1443 PolarHBondContact O-N 2.92Å; S1440-F1443 WeakPolarHBondContact OG-CB 3.47Å
1441P68.5Low88.5Confident68 Ų6851.9 Ų51.944%0.44228%0.282SS..THydrogen-bonded Turntrans-47.2132.7179.2-28.435.2000112E1438 F1443E1438-P1441 WeakPolarHBondContact OE1-CA 3.47Å; P1441-F1443 PolarHBondContact O-N 3.07Å
1442F70.4Confident88.9Confident101 Ų10148.2 Ų48.244%0.44327%0.268SS..THydrogen-bonded Turntrans63.13.6179.3-51.3-90.9000115.8Y534 E1438 S1440 Y1444Y534-F1442 AromaticContact CD1-CD2 3.97Å; Y534-F1442 HydrophobicContact CD1-CD2 3.97Å; Y534-F1442 HydrophobicContact CD1-CE1 4.21Å; Y534-F1442 AromaticContact CD1-CE2 3.15Å; Y534-F1442 HydrophobicContact CD1-CE2 3.15Å; Y534-F1442 AromaticContact CD1-CZ 3.26Å; Y534-F1442 HydrophobicContact CD1-CZ 3.26Å; Y534-F1442 AromaticContact CE1-CD2 3.22Å; Y534-F1442 HydrophobicContact CE1-CD2 3.22Å; Y534-F1442 HydrophobicContact CE1-CE1 4.34Å; Y534-F1442 AromaticContact CE1-CE2 2.83Å; Y534-F1442 HydrophobicContact CE1-CE2 2.83Å; Y534-F1442 HydrophobicContact CE1-CG 4.19Å; Y534-F1442 AromaticContact CE1-CZ 3.47Å; Y534-F1442 HydrophobicContact CE1-CZ 3.47Å; Y534-F1442 VanDerWaalsContact CE1-CZ 3.47Å; Y534-F1442 HydrophobicContact CE2-CE2 4.39Å; Y534-F1442 HydrophobicContact CG-CE2 4.11Å; Y534-F1442 HydrophobicContact CG-CZ 4.22Å; Y534-F1442 AromaticContact CZ-CD2 3.8Å; Y534-F1442 AromaticContact CZ-CE2 3.51Å; E1438-F1442 PolarHBondContact OE1-N 3.1Å; S1440-F1442 PolarHBondContact O-N 3.21Å; F1442-Y1444 VanDerWaalsContact CA-CE2 3.47Å; F1442-Y1444 HydrophobicContact CB-CE2 4.18Å; F1442-Y1444 HydrophobicContact CD1-CE2 4.38Å; F1442-Y1444 WeakPolarHBondContact O-CD2 3.25Å; F1442-Y1444 PolarHBondContact O-N 3.27Å
1443F83.8Confident89.3Confident57 Ų5740.1 Ų40.125%0.2523%0.233CC..  trans-94.671.1177.5-162.9-98.1000110.2P1439 S1440 P1441 Q1445 G1478 H1481P1439-F1443 VanDerWaalsContact CD-O 3.22Å; P1439-F1443 WeakPolarHBondContact CD-O 3.33Å; S1440-F1443 VanDerWaalsContact O-CB 3.23Å; S1440-F1443 WeakPolarHBondContact O-CB 3.5Å; S1440-F1443 PolarHBondContact O-N 2.92Å; S1440-F1443 WeakPolarHBondContact OG-CB 3.47Å; P1441-F1443 PolarHBondContact O-N 3.07Å; F1443-Q1445 HydrophobicContact CD1-CG 4.38Å; F1443-Q1445 HydrophobicContact CE1-CG 4.43Å; F1443-Q1445 VanDerWaalsContact CE1-NE2 3.34Å; F1443-G1478 VanDerWaalsContact CZ-CA 3.47Å; F1443-H1481 AromaticContact CE2-CD2 3.69Å; F1443-H1481 HydrophobicContact CZ-CB 4.34Å; F1443-H1481 AromaticContact CZ-CD2 3.59Å
1444Y92.3Very high89.9Confident28 Ų2837 Ų3711%0.1120%0.201CC..  trans-74.3137.7-175.1-56.2-83000112.5E1438 F1442 Y1476 G1478 Q1479E1438-Y1444 HydrophobicContact CB-CD1 4.38Å; E1438-Y1444 HydrophobicContact CG-CD1 4.38Å; E1438-Y1444 HydrophobicContact CG-CE1 4.26Å; F1442-Y1444 VanDerWaalsContact CA-CE2 3.47Å; F1442-Y1444 HydrophobicContact CB-CE2 4.18Å; F1442-Y1444 HydrophobicContact CD1-CE2 4.38Å; F1442-Y1444 WeakPolarHBondContact O-CD2 3.25Å; F1442-Y1444 PolarHBondContact O-N 3.27Å; Y1444-Y1476 AromaticContact CD2-CD1 3.43Å; Y1444-Y1476 HydrophobicContact CD2-CD1 3.43Å; Y1444-Y1476 VanDerWaalsContact CD2-CD1 3.43Å; Y1444-Y1476 AromaticContact CD2-CE1 3.28Å; Y1444-Y1476 HydrophobicContact CD2-CE1 3.28Å; Y1444-Y1476 HydrophobicContact CD2-CG 4.27Å; Y1444-Y1476 HydrophobicContact CE2-CD1 4.35Å; Y1444-Y1476 AromaticContact CE2-CE1 3.84Å; Y1444-Y1476 HydrophobicContact CE2-CE1 3.84Å; Y1444-Y1476 HydrophobicContact CG-CD1 4.11Å; Y1444-Y1476 HydrophobicContact CG-CE1 4.08Å; Y1444-G1478 CarbonylContact O-C 3.5Å; Y1444-Q1479 PolarHBondContact O-N 3.49Å
1445Q96.1Very high90.5Very high28 Ų2832.2 Ų32.213%0.13118%0.177CC..BIsolated β-bridgetrans-139.7152180-73.9-175.5-21.100110.5E1436 S1437 P1439 F1443 G1478 L1482E1436-Q1445 CarbonylContact C-O 3.51Å; E1436-Q1445 WeakPolarHBondContact CA-O 3.47Å; S1437-Q1445 PolarHBondContact N-O 3.07Å; S1437-Q1445 PolarHBondContact O-N 3.09Å; S1437-Q1445 PolarHBondContact OG-O 3.31Å; P1439-Q1445 VanDerWaalsContact CG-OE1 3.31Å; F1443-Q1445 HydrophobicContact CD1-CG 4.38Å; F1443-Q1445 HydrophobicContact CE1-CG 4.43Å; F1443-Q1445 VanDerWaalsContact CE1-NE2 3.34Å; Q1445-G1478 WeakPolarHBondContact CG-O 3.34Å; Q1445-G1478 PolarHBondContact NE2-O 3.08Å; Q1445-G1478 VanDerWaalsContact NE2-O 3.12Å; Q1445-L1482 HydrophobicContact CB-CD2 3.99Å; Q1445-L1482 HydrophobicContact CG-CB 4.3Å; Q1445-L1482 HydrophobicContact CG-CD2 4.26Å
1446N97Very high90.9Very high2 Ų231.8 Ų31.81%0.01117%0.173CC..  trans-143.5103.3173-177.9-31.3000108.1A1448 E1449 A1450 Q1479 V1522N1446-A1448 VanDerWaalsContact C-N 3.32Å; N1446-A1448 PolarHBondContact O-N 3.04Å; N1446-A1448 WeakPolarHBondContact OD1-CB 3.37Å; N1446-A1448 PolarHBondContact OD1-N 3.35Å; N1446-A1448 VanDerWaalsContact OD1-N 3.14Å; N1446-E1449 HydrophobicContact CB-CB 4.23Å; N1446-E1449 HydrophobicContact CB-CG 4.39Å; N1446-E1449 PolarHBondContact ND2-OE1 3.1Å; N1446-E1449 PolarHBondContact O-N 3.05Å; N1446-E1449 PolarHBondContact OD1-N 3.37Å; N1446-A1450 WeakPolarHBondContact O-CB 3.34Å; N1446-A1450 PolarHBondContact O-N 3.04Å; N1446-Q1479 PolarHBondContact O-NE2 3.5Å; N1446-Q1479 PolarHBondContact O-OE1 2.9Å; N1446-V1522 HydrophobicContact CB-CG1 3.93Å; N1446-V1522 WeakPolarHBondContact CB-O 3.08Å; N1446-V1522 PolarHBondContact ND2-O 3.28Å; N1446-V1522 VanDerWaalsContact ND2-O 3.14Å
1447L96.8Very high91.2Very high74 Ų7431.5 Ų31.539%0.38717%0.171SC..Hα-helixtrans-64.1-37.2-176.2-178.963.9000112.2Y1431 A1450 E1451 L1482Y1431-L1447 HydrophobicContact CD1-CD2 4.31Å; Y1431-L1447 HydrophobicContact CE1-CD2 4.38Å; L1447-A1450 PolarHBondContact O-N 3.25Å; L1447-E1451 HydrophobicContact CD1-CG 3.95Å; L1447-E1451 HydrophobicContact CG-CG 4.3Å; L1447-E1451 WeakPolarHBondContact O-CB 3.32Å; L1447-E1451 WeakPolarHBondContact O-CG 3.4Å; L1447-E1451 PolarHBondContact O-N 3.35Å; L1447-L1482 HydrophobicContact CB-CD2 4.44Å; L1447-L1482 HydrophobicContact CD1-CD1 4.29Å; L1447-L1482 HydrophobicContact CD1-CD2 4.36Å
1448A97.2Very high91.5Very high2 Ų230.6 Ų30.62%0.01716%0.163CC..Hα-helixtrans-61.8-49.2178.900000110.7V1428 N1446 Y1452 M1624V1428-A1448 HydrophobicContact CG1-CB 3.56Å; N1446-A1448 VanDerWaalsContact C-N 3.32Å; N1446-A1448 PolarHBondContact O-N 3.04Å; N1446-A1448 WeakPolarHBondContact OD1-CB 3.37Å; N1446-A1448 PolarHBondContact OD1-N 3.35Å; N1446-A1448 VanDerWaalsContact OD1-N 3.14Å; A1448-Y1452 VanDerWaalsContact O-CB 3.26Å; A1448-Y1452 WeakPolarHBondContact O-CB 3.37Å; A1448-Y1452 PolarHBondContact O-N 2.86Å; A1448-M1624 WeakPolarHBondContact O-CG 3.17Å
1449E97.9Very high92.1Very high0 Ų026.7 Ų26.70%014%0.144CC..Hα-helixtrans-64.5-40.9176.5-73.1-174.4-153.100112.3V1428 N1446 Y1452 V1453 S1520 L1521 V1522 F1550V1428-E1449 HydrophobicContact CB-CG 3.89Å; V1428-E1449 HydrophobicContact CG1-CG 3.93Å; V1428-E1449 HydrophobicContact CG2-CG 3.96Å; N1446-E1449 HydrophobicContact CB-CB 4.23Å; N1446-E1449 HydrophobicContact CB-CG 4.39Å; N1446-E1449 PolarHBondContact ND2-OE1 3.1Å; N1446-E1449 PolarHBondContact O-N 3.05Å; N1446-E1449 PolarHBondContact OD1-N 3.37Å; E1449-Y1452 PolarHBondContact O-N 3.07Å; E1449-V1453 WeakPolarHBondContact O-CB 3.38Å; E1449-V1453 WeakPolarHBondContact O-CG2 3.29Å; E1449-V1453 PolarHBondContact O-N 3.14Å; E1449-S1520 WeakPolarHBondContact OE2-CB 3.5Å; E1449-S1520 PolarHBondContact OE2-OG 3.28Å; E1449-L1521 PolarHBondContact OE2-N 3.21Å; E1449-L1521 VanDerWaalsContact OE2-N 3.07Å; E1449-V1522 PolarHBondContact OE1-N 2.96Å; E1449-V1522 WeakPolarHBondContact OE2-CA 3.45Å; E1449-V1522 PolarHBondContact OE2-N 2.95Å; E1449-F1550 HydrophobicContact CG-CB 4.32Å
1450A97.8Very high92.8Very high0 Ų022.5 Ų22.50%012%0.117CC..Hα-helixtrans-62.1-49.2-179.400000111.8N1446 L1447 V1454 L1482 I1483N1446-A1450 WeakPolarHBondContact O-CB 3.34Å; N1446-A1450 PolarHBondContact O-N 3.04Å; L1447-A1450 PolarHBondContact O-N 3.25Å; A1450-V1454 WeakPolarHBondContact O-CG2 3.45Å; A1450-V1454 PolarHBondContact O-N 3.16Å; A1450-V1454 VanDerWaalsContact O-N 3.11Å; A1450-L1482 HydrophobicContact CB-CD2 3.9Å; A1450-L1482 HydrophobicContact CB-CG 3.91Å; A1450-I1483 HydrophobicContact CB-CG1 3.87Å
1451E97.6Very high93.8Very high31 Ų3122.2 Ų22.215%0.14511%0.108CC..Hα-helixtrans-63.8-40.7176.7-71.7-79.4-155.700111.6L1447 V1454 A1455 V1486 R1490 M1624L1447-E1451 HydrophobicContact CD1-CG 3.95Å; L1447-E1451 HydrophobicContact CG-CG 4.3Å; L1447-E1451 WeakPolarHBondContact O-CB 3.32Å; L1447-E1451 WeakPolarHBondContact O-CG 3.4Å; L1447-E1451 PolarHBondContact O-N 3.35Å; E1451-V1454 PolarHBondContact O-N 3.36Å; E1451-A1455 VanDerWaalsContact O-CB 3.3Å; E1451-A1455 WeakPolarHBondContact O-CB 3.49Å; E1451-A1455 PolarHBondContact O-N 3.05Å; E1451-V1486 WeakPolarHBondContact OE2-CG1 3.4Å; E1451-R1490 IonicContact OE1-CZ 3.71Å; E1451-R1490 IonicContact OE1-NE 3.65Å; E1451-R1490 IonicContact OE1-NH2 3.5Å; E1451-R1490 PolarHBondContact OE1-NH2 2.92Å; E1451-R1490 IonicContact OE2-CZ 3.91Å; E1451-R1490 IonicContact OE2-NE 3.29Å; E1451-R1490 PolarHBondContact OE2-NE 3.11Å; E1451-R1490 IonicContact OE2-NH2 2.83Å; E1451-R1490 PolarHBondContact OE2-NH2 3.04Å; E1451-M1624 HydrophobicContact CB-CE 4.07Å; E1451-M1624 HydrophobicContact CB-CG 3.82Å; E1451-M1624 HydrophobicContact CB-SD 3.72Å; E1451-M1624 HydrophobicContact CG-CE 4.49Å
1452Y98.1Very high95.1Very high1 Ų119.3 Ų19.30%0.0049%0.088CC..Hα-helixtrans-65.8-46.4-179.7-151.4160.6000111.6I1426 V1428 A1448 E1449 V1454 A1455 V1456 F1550 L1585 I1621 M1624 M1627I1426-Y1452 HydrophobicContact CG2-CE1 3.83Å; V1428-Y1452 HydrophobicContact CG1-CD1 4.46Å; V1428-Y1452 HydrophobicContact CG2-CD1 3.84Å; V1428-Y1452 HydrophobicContact CG2-CE1 4.38Å; A1448-Y1452 VanDerWaalsContact O-CB 3.26Å; A1448-Y1452 WeakPolarHBondContact O-CB 3.37Å; A1448-Y1452 PolarHBondContact O-N 2.86Å; E1449-Y1452 PolarHBondContact O-N 3.07Å; Y1452-V1454 VanDerWaalsContact C-N 3.34Å; Y1452-V1454 PolarHBondContact O-N 3.39Å; Y1452-A1455 PolarHBondContact O-N 3.18Å; Y1452-V1456 HydrophobicContact CD2-CG2 4.12Å; Y1452-V1456 HydrophobicContact CE2-CG2 4.25Å; Y1452-V1456 WeakPolarHBondContact O-CG2 3.43Å; Y1452-V1456 PolarHBondContact O-N 3.41Å; Y1452-F1550 HydrophobicContact CD1-CD1 4.02Å; Y1452-F1550 HydrophobicContact CD1-CE1 4.15Å; Y1452-F1550 HydrophobicContact CD2-CD1 4.26Å; Y1452-F1550 AromaticContact CD2-CE1 3.61Å; Y1452-F1550 HydrophobicContact CD2-CE1 3.61Å; Y1452-F1550 HydrophobicContact CE2-CE1 4.03Å; Y1452-F1550 AromaticContact CG-CD1 3.83Å; Y1452-F1550 HydrophobicContact CG-CD1 3.83Å; Y1452-F1550 AromaticContact CG-CE1 3.67Å; Y1452-F1550 HydrophobicContact CG-CE1 3.67Å; Y1452-L1585 HydrophobicContact CE2-CD2 3.95Å; Y1452-I1621 HydrophobicContact CE2-CG2 4.32Å; Y1452-I1621 WeakPolarHBondContact OH-CG2 3.39Å; Y1452-I1621 PolarHBondContact OH-O 2.85Å; Y1452-M1624 HydrophobicContact CD1-CB 3.67Å; Y1452-M1624 HydrophobicContact CD1-CG 4.47Å; Y1452-M1624 HydrophobicContact CE1-CB 4.36Å; Y1452-M1624 HydrophobicContact CG-CB 3.84Å; Y1452-M1624 HydrophobicContact CG-CG 4.17Å; Y1452-M1627 HydrophobicContact CD2-CB 3.73Å; Y1452-M1627 HydrophobicContact CD2-CG 3.75Å; Y1452-M1627 HydrophobicContact CE2-CB 3.43Å; Y1452-M1627 VanDerWaalsContact CE2-CB 3.43Å; Y1452-M1627 HydrophobicContact CE2-CG 3.55Å; Y1452-M1627 HydrophobicContact CE2-SD 4.28Å
1453V98.2Very high96.1Very high0 Ų015 Ų150%07%0.07CC..Hα-helixtrans-59.9-44.7177.3168.40000111.2E1449 V1456 Y1457 I1472 L1518 F1550E1449-V1453 WeakPolarHBondContact O-CB 3.38Å; E1449-V1453 WeakPolarHBondContact O-CG2 3.29Å; E1449-V1453 PolarHBondContact O-N 3.14Å; V1453-V1456 PolarHBondContact O-N 2.83Å; V1453-Y1457 PolarHBondContact O-N 3.09Å; V1453-I1472 HydrophobicContact CG1-CB 4.45Å; V1453-I1472 HydrophobicContact CG1-CD1 4.03Å; V1453-I1472 HydrophobicContact CG1-CG1 4.11Å; V1453-I1472 HydrophobicContact CG1-CG2 3.53Å; V1453-L1518 HydrophobicContact CG1-CB 3.97Å; V1453-L1518 HydrophobicContact CG1-CD1 4.22Å; V1453-F1550 HydrophobicContact CG2-CB 4.03Å; V1453-F1550 HydrophobicContact CG2-CD1 4.21Å; V1453-F1550 HydrophobicContact CG2-CD2 3.3Å; V1453-F1550 HydrophobicContact CG2-CE2 3.71Å; V1453-F1550 HydrophobicContact CG2-CG 3.58Å; V1453-F1550 HydrophobicContact CG2-CZ 4.31Å
1454V98Very high96.5Very high0 Ų014 Ų140%08%0.076CC..Hα-helixtrans-67.4-39.1178.3176.80000111.1A1450 E1451 Y1452 V1456 Y1457 M1458 I1483 V1486 I1487A1450-V1454 WeakPolarHBondContact O-CG2 3.45Å; A1450-V1454 PolarHBondContact O-N 3.16Å; A1450-V1454 VanDerWaalsContact O-N 3.11Å; E1451-V1454 PolarHBondContact O-N 3.36Å; Y1452-V1454 VanDerWaalsContact C-N 3.34Å; Y1452-V1454 PolarHBondContact O-N 3.39Å; V1454-V1456 VanDerWaalsContact C-N 3.32Å; V1454-V1456 PolarHBondContact O-N 3.42Å; V1454-Y1457 WeakPolarHBondContact O-CB 3.45Å; V1454-Y1457 PolarHBondContact O-N 3.26Å; V1454-M1458 HydrophobicContact CG1-CG 4.37Å; V1454-M1458 HydrophobicContact CG1-SD 4.24Å; V1454-M1458 VanDerWaalsContact O-CG 3.26Å; V1454-M1458 WeakPolarHBondContact O-CG 3.16Å; V1454-M1458 PolarHBondContact O-N 3.11Å; V1454-I1483 HydrophobicContact CG2-CG2 4.13Å; V1454-V1486 HydrophobicContact CB-CG1 3.85Å; V1454-V1486 HydrophobicContact CG1-CG1 3.93Å; V1454-V1486 HydrophobicContact CG2-CB 4.15Å; V1454-V1486 HydrophobicContact CG2-CG1 3.8Å; V1454-I1487 HydrophobicContact CG1-CG1 4.14Å; V1454-I1487 HydrophobicContact CG2-CD1 4.32Å; V1454-I1487 HydrophobicContact CG2-CG1 3.7Å
1455A97.9Very high96.7Very high3 Ų312.7 Ų12.73%0.0257%0.071CC..Hα-helixtrans-61-40174.300000111.9E1451 Y1452 M1458 Y1459 M1627 V1631E1451-A1455 VanDerWaalsContact O-CB 3.3Å; E1451-A1455 WeakPolarHBondContact O-CB 3.49Å; E1451-A1455 PolarHBondContact O-N 3.05Å; Y1452-A1455 PolarHBondContact O-N 3.18Å; A1455-M1458 WeakPolarHBondContact O-CB 3.4Å; A1455-M1458 PolarHBondContact O-N 2.89Å; A1455-Y1459 PolarHBondContact O-N 3.47Å; A1455-M1627 HydrophobicContact CB-CB 4.41Å; A1455-M1627 HydrophobicContact CB-CG 3.72Å; A1455-V1631 HydrophobicContact CB-CG2 4.37Å; A1455-V1631 WeakPolarHBondContact O-CG2 3.22Å
1456V97.9Very high96.6Very high0 Ų012.1 Ų12.10%07%0.069CC..Hα-helixtrans-67.9-38.7174.4174.30000112F1419 Y1452 V1453 V1454 M1458 Y1459 M1460 L1518 F1550 L1585 M1627F1419-V1456 HydrophobicContact CE1-CG1 3.99Å; F1419-V1456 HydrophobicContact CZ-CG1 3.93Å; Y1452-V1456 HydrophobicContact CD2-CG2 4.12Å; Y1452-V1456 HydrophobicContact CE2-CG2 4.25Å; Y1452-V1456 WeakPolarHBondContact O-CG2 3.43Å; Y1452-V1456 PolarHBondContact O-N 3.41Å; V1453-V1456 PolarHBondContact O-N 2.83Å; V1454-V1456 VanDerWaalsContact C-N 3.32Å; V1454-V1456 PolarHBondContact O-N 3.42Å; V1456-M1458 VanDerWaalsContact C-N 3.34Å; V1456-M1458 PolarHBondContact O-N 3.28Å; V1456-Y1459 WeakPolarHBondContact O-CB 3.17Å; V1456-Y1459 PolarHBondContact O-N 2.65Å; V1456-M1460 WeakPolarHBondContact O-CG 3.01Å; V1456-M1460 PolarHBondContact O-N 3.35Å; V1456-L1518 HydrophobicContact CG1-CD1 4.32Å; V1456-L1518 HydrophobicContact CG1-CD2 4.12Å; V1456-F1550 HydrophobicContact CB-CZ 4.01Å; V1456-F1550 HydrophobicContact CG1-CZ 4.38Å; V1456-F1550 HydrophobicContact CG2-CE1 4.08Å; V1456-F1550 HydrophobicContact CG2-CZ 3.66Å; V1456-L1585 HydrophobicContact CG2-CD2 3.57Å; V1456-M1627 HydrophobicContact CB-CE 4.46Å; V1456-M1627 HydrophobicContact CG2-CE 3.74Å; V1456-M1627 HydrophobicContact CG2-CG 4.31Å; V1456-M1627 HydrophobicContact CG2-SD 4.36Å
1457Y98Very high96.5Very high0 Ų012.8 Ų12.80%08%0.075CC..Hα-helixtrans-58.4-46.1170.8168.1-102.9000111.9V1453 V1454 Y1459 M1460 R1461 I1470 I1472 C1491 L1497 G1498 N1499 P1500V1453-Y1457 PolarHBondContact O-N 3.09Å; V1454-Y1457 WeakPolarHBondContact O-CB 3.45Å; V1454-Y1457 PolarHBondContact O-N 3.26Å; Y1457-Y1459 VanDerWaalsContact C-N 3.34Å; Y1457-Y1459 PolarHBondContact O-N 3.17Å; Y1457-M1460 WeakPolarHBondContact O-CB 3.22Å; Y1457-M1460 PolarHBondContact O-N 2.87Å; Y1457-R1461 HydrophobicContact CD1-CG 4.46Å; Y1457-R1461 HydrophobicContact CD2-CG 4.27Å; Y1457-R1461 HydrophobicContact CE1-CG 3.94Å; Y1457-R1461 HydrophobicContact CE2-CG 3.72Å; Y1457-R1461 WeakPolarHBondContact O-CG 3.48Å; Y1457-R1461 PolarHBondContact O-N 2.97Å; Y1457-I1470 HydrophobicContact CD2-CB 4.29Å; Y1457-I1470 HydrophobicContact CD2-CD1 4.01Å; Y1457-I1470 HydrophobicContact CD2-CG2 3.87Å; Y1457-I1470 HydrophobicContact CE2-CB 4.3Å; Y1457-I1470 HydrophobicContact CE2-CD1 3.98Å; Y1457-I1470 HydrophobicContact CE2-CG2 4.37Å; Y1457-I1472 HydrophobicContact CG-CD1 4.41Å; Y1457-C1491 HydrophobicContact CE1-CB 4.31Å; Y1457-L1497 PolarHBondContact OH-O 2.84Å; Y1457-G1498 PolarHBondContact OH-O 3.16Å; Y1457-G1498 VanDerWaalsContact OH-O 3.11Å; Y1457-N1499 PolarHBondContact OH-O 2.86Å; Y1457-P1500 HydrophobicContact CD2-CB 4.05Å; Y1457-P1500 HydrophobicContact CE2-CB 3.59Å; Y1457-P1500 HydrophobicContact CE2-CG 4.39Å; Y1457-P1500 VanDerWaalsContact OH-N 3.12Å
1458M97Very high96.4Very high23 Ų2315.1 Ų15.111%0.1138%0.084CC..Hα-helixtrans-59.8-44.7176.2-69.117170.500111.4V1454 A1455 V1456 M1460 R1461 I1462 R1490 C1491 L1497 V1631V1454-M1458 HydrophobicContact CG1-CG 4.37Å; V1454-M1458 HydrophobicContact CG1-SD 4.24Å; V1454-M1458 VanDerWaalsContact O-CG 3.26Å; V1454-M1458 WeakPolarHBondContact O-CG 3.16Å; V1454-M1458 PolarHBondContact O-N 3.11Å; A1455-M1458 WeakPolarHBondContact O-CB 3.4Å; A1455-M1458 PolarHBondContact O-N 2.89Å; V1456-M1458 VanDerWaalsContact C-N 3.34Å; V1456-M1458 PolarHBondContact O-N 3.28Å; M1458-M1460 PolarHBondContact O-N 2.92Å; M1458-R1461 PolarHBondContact O-N 3.22Å; M1458-I1462 WeakPolarHBondContact O-CD1 3.46Å; M1458-I1462 VanDerWaalsContact O-CG1 3.23Å; M1458-I1462 WeakPolarHBondContact O-CG1 3.36Å; M1458-I1462 PolarHBondContact O-N 3.19Å; M1458-R1490 HydrophobicContact SD-CB 4.27Å; M1458-C1491 VanDerWaalsContact CG-SG 3.53Å; M1458-L1497 HydrophobicContact CB-CD2 4.32Å; M1458-L1497 HydrophobicContact CE-CD1 3.87Å; M1458-L1497 HydrophobicContact CG-CD1 4.05Å; M1458-L1497 HydrophobicContact CG-CD2 4.49Å; M1458-V1631 HydrophobicContact CB-CG1 3.52Å; M1458-V1631 HydrophobicContact CE-CG1 3.95Å; M1458-V1631 HydrophobicContact SD-CG1 4.3Å
1459Y97.3Very high96.3Very high0 Ų017.3 Ų17.30%09%0.093CC..Hα-helixtrans-54.8-49.2174172-107.5000112.2G1418 F1419 A1455 V1456 Y1457 R1461 I1462 L1463 L1587 P1589 M1627 Y1630 L1634G1418-Y1459 WeakPolarHBondContact CA-OH 3.37Å; G1418-Y1459 PolarHBondContact O-OH 3.21Å; F1419-Y1459 HydrophobicContact CE1-CD1 4.38Å; F1419-Y1459 HydrophobicContact CE1-CE1 4.27Å; F1419-Y1459 HydrophobicContact CE2-CD1 4.3Å; F1419-Y1459 HydrophobicContact CE2-CE1 4.05Å; F1419-Y1459 AromaticContact CZ-CD1 3.86Å; F1419-Y1459 HydrophobicContact CZ-CD1 3.86Å; F1419-Y1459 AromaticContact CZ-CE1 3.9Å; F1419-Y1459 HydrophobicContact CZ-CE1 3.9Å; A1455-Y1459 PolarHBondContact O-N 3.47Å; V1456-Y1459 WeakPolarHBondContact O-CB 3.17Å; V1456-Y1459 PolarHBondContact O-N 2.65Å; Y1457-Y1459 VanDerWaalsContact C-N 3.34Å; Y1457-Y1459 PolarHBondContact O-N 3.17Å; Y1459-R1461 VanDerWaalsContact C-N 3.33Å; Y1459-R1461 PolarHBondContact O-N 3.29Å; Y1459-I1462 PolarHBondContact O-N 2.74Å; Y1459-L1463 HydrophobicContact CD1-CD1 4.21Å; Y1459-L1463 HydrophobicContact CD2-CD1 4.48Å; Y1459-L1463 HydrophobicContact CE1-CD1 3.56Å; Y1459-L1463 HydrophobicContact CE2-CD1 3.88Å; Y1459-L1463 HydrophobicContact CE2-CG 4.17Å; Y1459-L1463 WeakPolarHBondContact O-CG 3.31Å; Y1459-L1463 PolarHBondContact O-N 3.08Å; Y1459-L1587 HydrophobicContact CD1-CD2 4.31Å; Y1459-L1587 HydrophobicContact CD2-CD1 4.5Å; Y1459-L1587 HydrophobicContact CE1-CD1 4.23Å; Y1459-L1587 HydrophobicContact CE1-CD2 3.71Å; Y1459-L1587 HydrophobicContact CE1-CG 4.42Å; Y1459-L1587 HydrophobicContact CE2-CD1 4.17Å; Y1459-P1589 HydrophobicContact CE2-CB 4.28Å; Y1459-P1589 HydrophobicContact CE2-CG 4.48Å; Y1459-P1589 WeakPolarHBondContact OH-CA 3.24Å; Y1459-M1627 HydrophobicContact CD1-CE 4.45Å; Y1459-M1627 HydrophobicContact CD2-CE 4.47Å; Y1459-M1627 HydrophobicContact CG-CE 3.95Å; Y1459-Y1630 HydrophobicContact CD2-CE1 4.24Å; Y1459-Y1630 HydrophobicContact CE2-CE1 4.13Å; Y1459-L1634 HydrophobicContact CD2-CD1 4.37Å; Y1459-L1634 HydrophobicContact CE2-CD1 4.3Å
1460M97Very high96.3Very high0 Ų017.3 Ų17.30%09%0.093CC..Hα-helixtrans-59-44.3177.2-67.3178.376.900111.8F1419 V1456 Y1457 M1458 I1462 L1463 G1464 Y1465 I1470 Y1516 L1518F1419-M1460 HydrophobicContact CE2-CE 4.4Å; F1419-M1460 HydrophobicContact CE2-CG 3.73Å; F1419-M1460 HydrophobicContact CE2-SD 4.29Å; F1419-M1460 HydrophobicContact CZ-CG 3.63Å; F1419-M1460 HydrophobicContact CZ-SD 4.08Å; V1456-M1460 WeakPolarHBondContact O-CG 3.01Å; V1456-M1460 PolarHBondContact O-N 3.35Å; Y1457-M1460 WeakPolarHBondContact O-CB 3.22Å; Y1457-M1460 PolarHBondContact O-N 2.87Å; M1458-M1460 PolarHBondContact O-N 2.92Å; M1460-I1462 PolarHBondContact O-N 3.42Å; M1460-L1463 PolarHBondContact O-N 3.34Å; M1460-G1464 PolarHBondContact O-N 3.38Å; M1460-Y1465 HydrophobicContact CB-CD2 4.01Å; M1460-Y1465 HydrophobicContact CB-CG 4.06Å; M1460-Y1465 HydrophobicContact CE-CD1 3.53Å; M1460-Y1465 HydrophobicContact CE-CE1 3.59Å; M1460-Y1465 HydrophobicContact CE-CG 4Å; M1460-Y1465 WeakPolarHBondContact O-CB 3.01Å; M1460-Y1465 VanDerWaalsContact O-CD2 3.27Å; M1460-Y1465 WeakPolarHBondContact O-CD2 2.87Å; M1460-Y1465 PolarHBondContact O-N 2.94Å; M1460-I1470 HydrophobicContact CB-CD1 3.85Å; M1460-I1470 HydrophobicContact CE-CD1 3.98Å; M1460-I1470 HydrophobicContact CE-CG1 3.91Å; M1460-I1470 HydrophobicContact SD-CD1 4.22Å; M1460-I1470 HydrophobicContact SD-CG1 4.5Å; M1460-I1470 HydrophobicContact SD-CG2 4.38Å; M1460-Y1516 HydrophobicContact CE-CD1 4.25Å; M1460-Y1516 HydrophobicContact CE-CD2 4.39Å; M1460-Y1516 HydrophobicContact CE-CG 3.87Å; M1460-L1518 HydrophobicContact SD-CD1 4.42Å; M1460-L1518 HydrophobicContact SD-CD2 4.11Å
1461R95.7Very high96.3Very high48 Ų4817.3 Ų17.318%0.1819%0.093CC..Hα-helixtrans-63-40.8177.7-71.5-62.4-61.2145.33.1112.4Y1457 M1458 Y1459 L1463 G1464 Y1465 L1496 L1497Y1457-R1461 HydrophobicContact CD1-CG 4.46Å; Y1457-R1461 HydrophobicContact CD2-CG 4.27Å; Y1457-R1461 HydrophobicContact CE1-CG 3.94Å; Y1457-R1461 HydrophobicContact CE2-CG 3.72Å; Y1457-R1461 WeakPolarHBondContact O-CG 3.48Å; Y1457-R1461 PolarHBondContact O-N 2.97Å; M1458-R1461 PolarHBondContact O-N 3.22Å; Y1459-R1461 VanDerWaalsContact C-N 3.33Å; Y1459-R1461 PolarHBondContact O-N 3.29Å; R1461-L1463 VanDerWaalsContact C-N 3.3Å; R1461-L1463 PolarHBondContact O-N 3.49Å; R1461-G1464 PolarHBondContact O-N 2.92Å; R1461-Y1465 WeakPolarHBondContact CD-O 3.27Å; R1461-Y1465 PolarHBondContact NH1-O 3.18Å; R1461-L1496 PolarHBondContact NH2-O 3.49Å; R1461-L1497 HydrophobicContact CB-CD2 3.69Å; R1461-L1497 PolarHBondContact NE-O 3.3Å
1462I94.3Very high96.4Very high7 Ų715.9 Ų15.94%0.0369%0.086CC..Hα-helixtrans-68.3-31.6178.8-57.4157.5000111.9M1458 Y1459 M1460 G1464 L1497 V1631 L1634 Y1635 K1638M1458-I1462 WeakPolarHBondContact O-CD1 3.46Å; M1458-I1462 VanDerWaalsContact O-CG1 3.23Å; M1458-I1462 WeakPolarHBondContact O-CG1 3.36Å; M1458-I1462 PolarHBondContact O-N 3.19Å; Y1459-I1462 PolarHBondContact O-N 2.74Å; M1460-I1462 PolarHBondContact O-N 3.42Å; I1462-G1464 PolarHBondContact O-N 2.91Å; I1462-L1497 HydrophobicContact CG1-CD2 3.98Å; I1462-V1631 HydrophobicContact CD1-CG1 4.07Å; I1462-L1634 HydrophobicContact CB-CD2 3.57Å; I1462-L1634 HydrophobicContact CD1-CD2 3.63Å; I1462-L1634 HydrophobicContact CG1-CD2 4.17Å; I1462-L1634 HydrophobicContact CG2-CD2 3.21Å; I1462-L1634 HydrophobicContact CG2-CG 4.5Å; I1462-Y1635 HydrophobicContact CD1-CD2 4.28Å; I1462-Y1635 HydrophobicContact CG1-CD2 4.42Å; I1462-K1638 HydrophobicContact CG2-CB 3.74Å; I1462-K1638 HydrophobicContact CG2-CD 4.11Å; I1462-K1638 HydrophobicContact CG2-CG 3.77Å
1463L93Very high96.4Very high12 Ų1215.8 Ų15.86%0.0639%0.086CC..Hα-helixtrans-72.7-10.9171.5-69.4-175.7000114.2Y1459 M1460 R1461 Y1465 V1592 W1593Y1459-L1463 HydrophobicContact CD1-CD1 4.21Å; Y1459-L1463 HydrophobicContact CD2-CD1 4.48Å; Y1459-L1463 HydrophobicContact CE1-CD1 3.56Å; Y1459-L1463 HydrophobicContact CE2-CD1 3.88Å; Y1459-L1463 HydrophobicContact CE2-CG 4.17Å; Y1459-L1463 WeakPolarHBondContact O-CG 3.31Å; Y1459-L1463 PolarHBondContact O-N 3.08Å; M1460-L1463 PolarHBondContact O-N 3.34Å; R1461-L1463 VanDerWaalsContact C-N 3.3Å; R1461-L1463 PolarHBondContact O-N 3.49Å; L1463-Y1465 HydrophobicContact CB-CD2 4.25Å; L1463-Y1465 HydrophobicContact CB-CE2 4.46Å; L1463-V1592 HydrophobicContact CD2-CG1 4.44Å; L1463-W1593 PolarHBondContact O-N 2.66Å
1464G92.2Very high96.4Very high36 Ų3615.8 Ų15.837%0.3719%0.086SC..THydrogen-bonded Turntrans102.88.5174.700000115.6M1460 R1461 I1462 W1593M1460-G1464 PolarHBondContact O-N 3.38Å; R1461-G1464 PolarHBondContact O-N 2.92Å; I1462-G1464 PolarHBondContact O-N 2.91Å; G1464-W1593 VanDerWaalsContact O-CE3 3.23Å
1465Y94.9Very high96.2Very high0 Ų016.2 Ų16.20%09%0.089CC..  trans-62.2131.4175.6-80.2-107.5000111.1P1417 M1460 R1461 L1463 Y1516 W1593P1417-Y1465 HydrophobicContact CB-CE2 4.4Å; P1417-Y1465 WeakPolarHBondContact CD-OH 3.38Å; P1417-Y1465 VanDerWaalsContact N-OH 3.1Å; P1417-Y1465 VanDerWaalsContact O-CE2 3.26Å; P1417-Y1465 WeakPolarHBondContact O-CE2 3.34Å; P1417-Y1465 PolarHBondContact O-OH 3.21Å; M1460-Y1465 HydrophobicContact CB-CD2 4.01Å; M1460-Y1465 HydrophobicContact CB-CG 4.06Å; M1460-Y1465 HydrophobicContact CE-CD1 3.53Å; M1460-Y1465 HydrophobicContact CE-CE1 3.59Å; M1460-Y1465 HydrophobicContact CE-CG 4Å; M1460-Y1465 WeakPolarHBondContact O-CB 3.01Å; M1460-Y1465 VanDerWaalsContact O-CD2 3.27Å; M1460-Y1465 WeakPolarHBondContact O-CD2 2.87Å; M1460-Y1465 PolarHBondContact O-N 2.94Å; R1461-Y1465 WeakPolarHBondContact CD-O 3.27Å; R1461-Y1465 PolarHBondContact NH1-O 3.18Å; L1463-Y1465 HydrophobicContact CB-CD2 4.25Å; L1463-Y1465 HydrophobicContact CB-CE2 4.46Å; Y1465-Y1516 AromaticContact CD1-CD2 3.81Å; Y1465-Y1516 HydrophobicContact CD1-CD2 3.81Å; Y1465-Y1516 AromaticContact CD1-CE2 3.66Å; Y1465-Y1516 HydrophobicContact CD1-CE2 3.66Å; Y1465-Y1516 HydrophobicContact CD1-CG 4.33Å; Y1465-Y1516 AromaticContact CE1-CD1 3.99Å; Y1465-Y1516 HydrophobicContact CE1-CD1 3.99Å; Y1465-Y1516 AromaticContact CE1-CD2 3.9Å; Y1465-Y1516 HydrophobicContact CE1-CD2 3.9Å; Y1465-Y1516 AromaticContact CE1-CE1 3.67Å; Y1465-Y1516 HydrophobicContact CE1-CE1 3.67Å; Y1465-Y1516 AromaticContact CE1-CE2 3.58Å; Y1465-Y1516 HydrophobicContact CE1-CE2 3.58Å; Y1465-Y1516 HydrophobicContact CE1-CG 4.11Å; Y1465-Y1516 AromaticContact CE1-CZ 3.46Å; Y1465-Y1516 VanDerWaalsContact CE1-CZ 3.46Å; Y1465-W1593 AromaticContact CD1-CD1 3.49Å; Y1465-W1593 VanDerWaalsContact CD1-CD1 3.49Å; Y1465-W1593 HydrophobicContact CD1-CG 4.19Å; Y1465-W1593 AromaticContact CD1-NE1 3.91Å; Y1465-W1593 HydrophobicContact CD2-CB 3.63Å; Y1465-W1593 AromaticContact CD2-CD1 3.86Å; Y1465-W1593 AromaticContact CD2-CG 3.94Å; Y1465-W1593 HydrophobicContact CD2-CG 3.94Å; Y1465-W1593 AromaticContact CE1-CD1 3.53Å; Y1465-W1593 HydrophobicContact CE1-CG 4.48Å; Y1465-W1593 HydrophobicContact CE2-CB 3.9Å; Y1465-W1593 AromaticContact CE2-CD1 3.87Å; Y1465-W1593 HydrophobicContact CE2-CG 4.23Å; Y1465-W1593 HydrophobicContact CG-CB 4.11Å; Y1465-W1593 AromaticContact CG-CD1 3.68Å; Y1465-W1593 AromaticContact CG-CG 3.93Å; Y1465-W1593 HydrophobicContact CG-CG 3.93Å; Y1465-W1593 AromaticContact CZ-CD1 3.73Å
1466P94.2Very high96Very high16 Ų1617 Ų1710%0.1049%0.091CC..  trans-63.9140.8176.6-1829.7000112.5E1468 K1469 W1593P1466-E1468 VanDerWaalsContact C-N 3.35Å; P1466-E1468 HydrophobicContact CB-CG 4.39Å; P1466-E1468 WeakPolarHBondContact CB-OE1 3.32Å; P1466-E1468 WeakPolarHBondContact CB-OE2 3.23Å; P1466-E1468 PolarHBondContact O-N 2.96Å; P1466-K1469 HydrophobicContact CB-CD 4.46Å; P1466-K1469 HydrophobicContact CB-CG 4.24Å; P1466-K1469 HydrophobicContact CG-CD 4.14Å; P1466-K1469 HydrophobicContact CG-CG 4.46Å; P1466-K1469 PolarHBondContact O-N 3.42Å; P1466-W1593 HydrophobicContact CG-CE3 4.29Å; P1466-W1593 HydrophobicContact CG-CH2 3.4Å; P1466-W1593 VanDerWaalsContact CG-CH2 3.4Å; P1466-W1593 HydrophobicContact CG-CZ2 3.77Å; P1466-W1593 HydrophobicContact CG-CZ3 3.69Å
1467A95Very high95.7Very high16 Ų1620.2 Ų20.213%0.13211%0.108CC..G310 helixtrans-68.6-35.5-173.800000112.3K1469 I1470 N1499 S1501A1467-K1469 PolarHBondContact O-N 2.85Å; A1467-I1470 PolarHBondContact O-N 3.27Å; A1467-I1470 VanDerWaalsContact O-N 3.16Å; A1467-N1499 WeakPolarHBondContact CB-O 3.27Å; A1467-S1501 PolarHBondContact O-N 3.29Å
1468E95.3Very high95.5Very high123 Ų12320.2 Ų20.258%0.57511%0.109SC*.G310 helixtrans-62.8-21.4176.769.3-81.8-167.100113.2P1466 S1501 N1514P1466-E1468 VanDerWaalsContact C-N 3.35Å; P1466-E1468 HydrophobicContact CB-CG 4.39Å; P1466-E1468 WeakPolarHBondContact CB-OE1 3.32Å; P1466-E1468 WeakPolarHBondContact CB-OE2 3.23Å; P1466-E1468 PolarHBondContact O-N 2.96Å; E1468-S1501 WeakPolarHBondContact O-CB 3.47Å; E1468-S1501 PolarHBondContact O-OG 3.02Å; E1468-N1514 PolarHBondContact O-ND2 3.36Å
1469K95.1Very high95.5Very high48 Ų4819.1 Ų19.121%0.20910%0.103CC..G310 helixtrans-90-4.9178.3-67.4-165.7171.3-150.10114.7P1466 A1467 N1514 D1515 Y1516 W1593P1466-K1469 HydrophobicContact CB-CD 4.46Å; P1466-K1469 HydrophobicContact CB-CG 4.24Å; P1466-K1469 HydrophobicContact CG-CD 4.14Å; P1466-K1469 HydrophobicContact CG-CG 4.46Å; P1466-K1469 PolarHBondContact O-N 3.42Å; A1467-K1469 PolarHBondContact O-N 2.85Å; K1469-N1514 VanDerWaalsContact C-CG 3.48Å; K1469-N1514 WeakPolarHBondContact CA-OD1 3.35Å; K1469-N1514 VanDerWaalsContact O-CG 3.3Å; K1469-N1514 PolarHBondContact O-ND2 2.78Å; K1469-N1514 PolarHBondContact O-OD1 2.84Å; K1469-D1515 HydrophobicContact CB-CB 4.35Å; K1469-D1515 WeakPolarHBondContact CD-OD2 3.5Å; K1469-D1515 IonicContact NZ-OD2 2.77Å; K1469-D1515 PolarHBondContact NZ-OD2 3.44Å; K1469-D1515 VanDerWaalsContact NZ-OD2 3.16Å; K1469-Y1516 HydrophobicContact CB-CD2 4.24Å; K1469-Y1516 PolarHBondContact O-N 2.85Å; K1469-W1593 HydrophobicContact CD-CZ2 4.38Å
1470I97.9Very high95.5Very high0 Ų019.6 Ų19.60%011%0.105CC..EExtended strand (participates in β ladder)trans-115126.4-177.3-52.1163.8000110.1Y1457 M1460 A1467 S1501 N1514 Y1516 L1518Y1457-I1470 HydrophobicContact CD2-CB 4.29Å; Y1457-I1470 HydrophobicContact CD2-CD1 4.01Å; Y1457-I1470 HydrophobicContact CD2-CG2 3.87Å; Y1457-I1470 HydrophobicContact CE2-CB 4.3Å; Y1457-I1470 HydrophobicContact CE2-CD1 3.98Å; Y1457-I1470 HydrophobicContact CE2-CG2 4.37Å; M1460-I1470 HydrophobicContact CB-CD1 3.85Å; M1460-I1470 HydrophobicContact CE-CD1 3.98Å; M1460-I1470 HydrophobicContact CE-CG1 3.91Å; M1460-I1470 HydrophobicContact SD-CD1 4.22Å; M1460-I1470 HydrophobicContact SD-CG1 4.5Å; M1460-I1470 HydrophobicContact SD-CG2 4.38Å; A1467-I1470 PolarHBondContact O-N 3.27Å; A1467-I1470 VanDerWaalsContact O-N 3.16Å; I1470-S1501 WeakPolarHBondContact O-CB 3.41Å; I1470-S1501 PolarHBondContact O-N 3.24Å; I1470-N1514 PolarHBondContact N-ND2 3.43Å; I1470-Y1516 WeakPolarHBondContact CA-O 3.31Å; I1470-L1518 HydrophobicContact CG2-CD1 4.41Å; I1470-L1518 HydrophobicContact CG2-CG 4.43Å
1471T98.4Very high95.4Very high0 Ų022.7 Ų22.70%012%0.119CC..EExtended strand (participates in β ladder)trans-119.7138.1174.2-66.60000110.5L1473 K1502 F1509 N1514 Y1516 V1517 L1518T1471-L1473 HydrophobicContact CG2-CD2 3.63Å; T1471-L1473 HydrophobicContact CG2-CG 4Å; T1471-K1502 HydrophobicContact CG2-CB 4.2Å; T1471-F1509 HydrophobicContact CG2-CD2 4.45Å; T1471-F1509 HydrophobicContact CG2-CE1 4.12Å; T1471-F1509 HydrophobicContact CG2-CE2 4.02Å; T1471-F1509 HydrophobicContact CG2-CZ 3.84Å; T1471-N1514 WeakPolarHBondContact OG1-CB 3.49Å; T1471-N1514 PolarHBondContact OG1-ND2 3.1Å; T1471-Y1516 PolarHBondContact N-O 2.88Å; T1471-V1517 WeakPolarHBondContact O-CA 3.49Å; T1471-L1518 PolarHBondContact O-N 3.49Å
1472I98.6Very high95.5Very high0 Ų021.5 Ų21.50%012%0.117CC..EExtended strand (participates in β ladder)trans-105.3121.5171.4-58.9171.6000109.1V1453 Y1457 I1483 I1487 P1500 K1502 V1503 T1504 L1518V1453-I1472 HydrophobicContact CG1-CB 4.45Å; V1453-I1472 HydrophobicContact CG1-CD1 4.03Å; V1453-I1472 HydrophobicContact CG1-CG1 4.11Å; V1453-I1472 HydrophobicContact CG1-CG2 3.53Å; Y1457-I1472 HydrophobicContact CG-CD1 4.41Å; I1472-I1483 HydrophobicContact CD1-CG2 4.35Å; I1472-I1483 HydrophobicContact CG2-CD1 4.04Å; I1472-I1483 HydrophobicContact CG2-CG2 4.02Å; I1472-I1487 HydrophobicContact CD1-CD1 3.92Å; I1472-P1500 HydrophobicContact CD1-CB 4.47Å; I1472-P1500 HydrophobicContact CD1-CG 4.07Å; I1472-K1502 PolarHBondContact N-O 3.26Å; I1472-V1503 HydrophobicContact CB-CG1 4.47Å; I1472-V1503 HydrophobicContact CB-CG2 4.36Å; I1472-V1503 WeakPolarHBondContact O-CA 3.49Å; I1472-T1504 PolarHBondContact O-N 3.43Å; I1472-L1518 CarbonylContact C-O 3.57Å; I1472-L1518 WeakPolarHBondContact CA-O 3.5Å; I1472-L1518 HydrophobicContact CG1-CB 4.27Å; I1472-L1518 HydrophobicContact CG1-CD1 4.21Å
1473L98.1Very high95.7Very high0 Ų021.1 Ų21.10%012%0.115CC..EExtended strand (participates in β ladder)trans-111.3150.1176.2-59.6-177.3000111.1T1471 T1504 V1506 F1509 V1517 L1518 V1519 S1520 R1542T1471-L1473 HydrophobicContact CG2-CD2 3.63Å; T1471-L1473 HydrophobicContact CG2-CG 4Å; L1473-T1504 WeakPolarHBondContact CA-O 3.28Å; L1473-T1504 HydrophobicContact CD2-CG2 3.77Å; L1473-V1506 HydrophobicContact CB-CG2 4.21Å; L1473-F1509 HydrophobicContact CD1-CD1 3.92Å; L1473-F1509 HydrophobicContact CD2-CB 3.67Å; L1473-F1509 HydrophobicContact CD2-CD1 3.79Å; L1473-F1509 HydrophobicContact CD2-CD2 4.27Å; L1473-F1509 HydrophobicContact CD2-CG 3.64Å; L1473-F1509 HydrophobicContact CG-CD1 4.43Å; L1473-V1517 HydrophobicContact CB-CG1 4.3Å; L1473-V1517 HydrophobicContact CD1-CG1 3.55Å; L1473-V1517 HydrophobicContact CG-CG1 3.71Å; L1473-L1518 PolarHBondContact N-O 2.84Å; L1473-V1519 HydrophobicContact CB-CG2 4.39Å; L1473-V1519 CarbonylContact O-C 3.57Å; L1473-V1519 WeakPolarHBondContact O-CA 3.44Å; L1473-S1520 PolarHBondContact O-N 3.26Å; L1473-R1542 HydrophobicContact CD1-CB 3.82Å; L1473-R1542 HydrophobicContact CD1-CG 3.62Å
1474T97.9Very high95.9Very high0 Ų025.9 Ų25.90%013%0.132CC..EExtended strand (participates in β ladder)trans-145.5160.1170.7-179.20000111Y1476 Q1479 K1480 I1483 T1504 T1505 V1506 S1520 V1522T1474-Y1476 WeakPolarHBondContact CG2-O 3.31Å; T1474-Q1479 HydrophobicContact CG2-CB 4.19Å; T1474-Q1479 HydrophobicContact CG2-CG 4.3Å; T1474-Q1479 WeakPolarHBondContact OG1-CB 3.37Å; T1474-Q1479 WeakPolarHBondContact OG1-CG 3.21Å; T1474-K1480 HydrophobicContact CG2-CB 3.69Å; T1474-I1483 HydrophobicContact CG2-CD1 4.41Å; T1474-T1504 PolarHBondContact N-O 2.98Å; T1474-T1504 VanDerWaalsContact N-O 3.17Å; T1474-T1505 CarbonylContact O-C 3.52Å; T1474-T1505 WeakPolarHBondContact O-CA 3.38Å; T1474-V1506 PolarHBondContact O-N 2.75Å; T1474-S1520 WeakPolarHBondContact CA-O 3.39Å; T1474-S1520 PolarHBondContact OG1-O 3.44Å; T1474-V1522 WeakPolarHBondContact OG1-CG2 3.43Å
1475T94Very high96.1Very high9 Ų929.1 Ų29.16%0.05514%0.141CC..SBendtrans-79.5-29.6179.344.70000112.7S1520 L1521 H1529 L1530T1475-S1520 PolarHBondContact N-O 2.98Å; T1475-L1521 HydrophobicContact CG2-CD2 4.3Å; T1475-L1521 PolarHBondContact OG1-O 3.04Å; T1475-L1521 VanDerWaalsContact OG1-O 3.06Å; T1475-H1529 PolarHBondContact O-NE2 3.33Å; T1475-L1530 HydrophobicContact CG2-CD1 3.57Å; T1475-L1530 HydrophobicContact CG2-CD2 3.74Å; T1475-L1530 HydrophobicContact CG2-CG 3.63Å
1476Y93.7Very high96.2Very high20 Ų2029.7 Ų29.78%0.07814%0.144CC..  trans-115.7140.8-172.6-69.3-85.5000113.3Y1444 T1474 G1478 Q1479 K1480 V1522 R1523 H1529Y1444-Y1476 AromaticContact CD2-CD1 3.43Å; Y1444-Y1476 HydrophobicContact CD2-CD1 3.43Å; Y1444-Y1476 VanDerWaalsContact CD2-CD1 3.43Å; Y1444-Y1476 AromaticContact CD2-CE1 3.28Å; Y1444-Y1476 HydrophobicContact CD2-CE1 3.28Å; Y1444-Y1476 HydrophobicContact CD2-CG 4.27Å; Y1444-Y1476 HydrophobicContact CE2-CD1 4.35Å; Y1444-Y1476 AromaticContact CE2-CE1 3.84Å; Y1444-Y1476 HydrophobicContact CE2-CE1 3.84Å; Y1444-Y1476 HydrophobicContact CG-CD1 4.11Å; Y1444-Y1476 HydrophobicContact CG-CE1 4.08Å; T1474-Y1476 WeakPolarHBondContact CG2-O 3.31Å; Y1476-G1478 VanDerWaalsContact C-N 3.3Å; Y1476-G1478 PolarHBondContact O-N 2.9Å; Y1476-Q1479 PolarHBondContact O-N 3.48Å; Y1476-K1480 PolarHBondContact O-N 2.67Å; Y1476-V1522 HydrophobicContact CD2-CB 3.79Å; Y1476-V1522 HydrophobicContact CD2-CG1 4.22Å; Y1476-V1522 HydrophobicContact CD2-CG2 3.9Å; Y1476-V1522 HydrophobicContact CE2-CB 4.39Å; Y1476-R1523 HydrophobicContact CE2-CG 3.51Å; Y1476-R1523 PolarHBondContact OH-NH1 3.37Å; Y1476-H1529 AromaticContact CD1-NE2 3.88Å; Y1476-H1529 AromaticContact CE1-CD2 3.36Å; Y1476-H1529 WeakPolarHBondContact CE1-CD2 3.35Å; Y1476-H1529 AromaticContact CE1-NE2 3.49Å; Y1476-H1529 WeakPolarHBondContact CE1-NE2 3.46Å; Y1476-H1529 AromaticContact CE2-CD2 4Å; Y1476-H1529 AromaticContact CE2-NE2 3.58Å; Y1476-H1529 AromaticContact CZ-CD2 3.26Å; Y1476-H1529 AromaticContact CZ-NE2 3.32Å; Y1476-H1529 VanDerWaalsContact CZ-NE2 3.32Å; Y1476-H1529 PolarHBondContact OH-CD2 3.41Å; Y1476-H1529 VanDerWaalsContact OH-CD2 3.24Å
1477N91.1Very high96.4Very high66 Ų6629.1 Ų29.135%0.35314%0.14SC..Hα-helixtrans-64.5-35.4177.3-167.852.6000112.1K1480 H1481 T1505N1477-K1480 WeakPolarHBondContact O-CB 3.27Å; N1477-K1480 PolarHBondContact O-N 3.16Å; N1477-K1480 VanDerWaalsContact OD1-CE 3.28Å; N1477-K1480 WeakPolarHBondContact OD1-CE 3.39Å; N1477-K1480 PolarHBondContact OD1-NZ 3.4Å; N1477-H1481 PolarHBondContact ND2-NE2 2.75Å; N1477-H1481 PolarHBondContact O-CD2 3.28Å; N1477-H1481 PolarHBondContact O-N 3.35Å; N1477-H1481 VanDerWaalsContact O-N 3.14Å; N1477-T1505 HydrophobicContact CB-CG2 4.43Å
1478G93.8Very high96.4Very high1 Ų131 Ų311%0.0116%0.156CC..Hα-helixtrans-60.5-44.6175.500000112.5F1443 Y1444 Q1445 Y1476 H1481 L1482F1443-G1478 VanDerWaalsContact CZ-CA 3.47Å; Y1444-G1478 CarbonylContact O-C 3.5Å; Q1445-G1478 WeakPolarHBondContact CG-O 3.34Å; Q1445-G1478 PolarHBondContact NE2-O 3.08Å; Q1445-G1478 VanDerWaalsContact NE2-O 3.12Å; Y1476-G1478 VanDerWaalsContact C-N 3.3Å; Y1476-G1478 PolarHBondContact O-N 2.9Å; G1478-H1481 PolarHBondContact O-N 2.86Å; G1478-L1482 PolarHBondContact O-N 2.85Å; G1478-L1482 VanDerWaalsContact O-N 3.07Å
1479Q97.3Very high96.3Very high0 Ų029.3 Ų29.30%016%0.163CC..Hα-helixtrans-64.4-39173.8-172.874.7-20.200112.6Y1444 N1446 T1474 Y1476 H1481 L1482 I1483 S1520 V1522Y1444-Q1479 PolarHBondContact O-N 3.49Å; N1446-Q1479 PolarHBondContact O-NE2 3.5Å; N1446-Q1479 PolarHBondContact O-OE1 2.9Å; T1474-Q1479 HydrophobicContact CG2-CB 4.19Å; T1474-Q1479 HydrophobicContact CG2-CG 4.3Å; T1474-Q1479 WeakPolarHBondContact OG1-CB 3.37Å; T1474-Q1479 WeakPolarHBondContact OG1-CG 3.21Å; Y1476-Q1479 PolarHBondContact O-N 3.48Å; Q1479-H1481 VanDerWaalsContact C-N 3.27Å; Q1479-H1481 PolarHBondContact O-N 2.89Å; Q1479-L1482 PolarHBondContact O-N 3.13Å; Q1479-I1483 HydrophobicContact CG-CD1 3.8Å; Q1479-I1483 HydrophobicContact CG-CG1 4.23Å; Q1479-I1483 WeakPolarHBondContact O-CB 3.3Å; Q1479-I1483 VanDerWaalsContact O-CG1 3.31Å; Q1479-I1483 WeakPolarHBondContact O-CG1 3.47Å; Q1479-I1483 PolarHBondContact O-N 2.8Å; Q1479-S1520 PolarHBondContact NE2-OG 3.42Å; Q1479-V1522 HydrophobicContact CB-CG1 4.33Å; Q1479-V1522 HydrophobicContact CB-CG2 3.54Å; Q1479-V1522 HydrophobicContact CG-CG2 3.49Å; Q1479-V1522 VanDerWaalsContact CG-CG2 3.49Å
1480K97.2Very high96.2Very high9 Ų932.5 Ų32.54%0.03917%0.173CC..Hα-helixtrans-58.1-43.4177.1-179.6-153.873.6-172.70111T1474 Y1476 N1477 R1484 V1503 T1505T1474-K1480 HydrophobicContact CG2-CB 3.69Å; Y1476-K1480 PolarHBondContact O-N 2.67Å; N1477-K1480 WeakPolarHBondContact O-CB 3.27Å; N1477-K1480 PolarHBondContact O-N 3.16Å; N1477-K1480 VanDerWaalsContact OD1-CE 3.28Å; N1477-K1480 WeakPolarHBondContact OD1-CE 3.39Å; N1477-K1480 PolarHBondContact OD1-NZ 3.4Å; K1480-R1484 WeakPolarHBondContact O-CG 3.46Å; K1480-R1484 PolarHBondContact O-N 2.73Å; K1480-R1484 VanDerWaalsContact O-N 3.11Å; K1480-V1503 HydrophobicContact CG-CG1 4.25Å; K1480-T1505 HydrophobicContact CB-CG2 4.45Å
1481H96.6Very high96Very high65 Ų6532.5 Ų32.530%0.30117%0.173SC..Hα-helixtrans-65.9-46.5176.7-66-62.1000111.4F1443 N1477 G1478 Q1479 I1483 R1484 D1485F1443-H1481 AromaticContact CE2-CD2 3.69Å; F1443-H1481 HydrophobicContact CZ-CB 4.34Å; F1443-H1481 AromaticContact CZ-CD2 3.59Å; N1477-H1481 PolarHBondContact ND2-NE2 2.75Å; N1477-H1481 PolarHBondContact O-CD2 3.28Å; N1477-H1481 PolarHBondContact O-N 3.35Å; N1477-H1481 VanDerWaalsContact O-N 3.14Å; G1478-H1481 PolarHBondContact O-N 2.86Å; Q1479-H1481 VanDerWaalsContact C-N 3.27Å; Q1479-H1481 PolarHBondContact O-N 2.89Å; H1481-I1483 VanDerWaalsContact C-N 3.34Å; H1481-I1483 PolarHBondContact O-N 3.35Å; H1481-R1484 WeakPolarHBondContact O-CB 3.23Å; H1481-R1484 PolarHBondContact O-N 2.86Å; H1481-D1485 VanDerWaalsContact O-CG 3.31Å; H1481-D1485 PolarHBondContact O-N 3.35Å
1482L97.4Very high95.4Very high23 Ų2334 Ų3412%0.1219%0.186CC..Hα-helixtrans-57.3-45.3176.4-178.159.4000112.4Q1445 L1447 A1450 G1478 Q1479 R1484 D1485 V1486Q1445-L1482 HydrophobicContact CB-CD2 3.99Å; Q1445-L1482 HydrophobicContact CG-CB 4.3Å; Q1445-L1482 HydrophobicContact CG-CD2 4.26Å; L1447-L1482 HydrophobicContact CB-CD2 4.44Å; L1447-L1482 HydrophobicContact CD1-CD1 4.29Å; L1447-L1482 HydrophobicContact CD1-CD2 4.36Å; A1450-L1482 HydrophobicContact CB-CD2 3.9Å; A1450-L1482 HydrophobicContact CB-CG 3.91Å; G1478-L1482 PolarHBondContact O-N 2.85Å; G1478-L1482 VanDerWaalsContact O-N 3.07Å; Q1479-L1482 PolarHBondContact O-N 3.13Å; L1482-R1484 VanDerWaalsContact C-N 3.3Å; L1482-R1484 PolarHBondContact O-N 3.45Å; L1482-D1485 PolarHBondContact O-N 2.48Å; L1482-V1486 HydrophobicContact CD1-CG2 4.46Å; L1482-V1486 VanDerWaalsContact O-CG2 3.31Å; L1482-V1486 WeakPolarHBondContact O-CG2 3.47Å; L1482-V1486 PolarHBondContact O-N 3.31Å
1483I98.2Very high94.8Very high0 Ų041.5 Ų41.50%022%0.221CC..Hα-helixtrans-60.8-41.2176.8-69.7169.1000110.8A1450 V1454 I1472 T1474 Q1479 H1481 D1485 V1486 I1487 V1503A1450-I1483 HydrophobicContact CB-CG1 3.87Å; V1454-I1483 HydrophobicContact CG2-CG2 4.13Å; I1472-I1483 HydrophobicContact CD1-CG2 4.35Å; I1472-I1483 HydrophobicContact CG2-CD1 4.04Å; I1472-I1483 HydrophobicContact CG2-CG2 4.02Å; T1474-I1483 HydrophobicContact CG2-CD1 4.41Å; Q1479-I1483 HydrophobicContact CG-CD1 3.8Å; Q1479-I1483 HydrophobicContact CG-CG1 4.23Å; Q1479-I1483 WeakPolarHBondContact O-CB 3.3Å; Q1479-I1483 VanDerWaalsContact O-CG1 3.31Å; Q1479-I1483 WeakPolarHBondContact O-CG1 3.47Å; Q1479-I1483 PolarHBondContact O-N 2.8Å; H1481-I1483 VanDerWaalsContact C-N 3.34Å; H1481-I1483 PolarHBondContact O-N 3.35Å; I1483-D1485 VanDerWaalsContact C-N 3.35Å; I1483-V1486 PolarHBondContact O-N 3.2Å; I1483-I1487 HydrophobicContact CG2-CD1 3.69Å; I1483-I1487 HydrophobicContact CG2-CG1 4.41Å; I1483-I1487 WeakPolarHBondContact O-CB 3.48Å; I1483-I1487 WeakPolarHBondContact O-CD1 3.27Å; I1483-I1487 VanDerWaalsContact O-CG1 3.25Å; I1483-I1487 WeakPolarHBondContact O-CG1 3.23Å; I1483-I1487 PolarHBondContact O-N 3.3Å; I1483-V1503 HydrophobicContact CB-CG1 4.19Å; I1483-V1503 HydrophobicContact CG2-CG1 3.67Å
1484R97.6Very high94.3Very high112 Ų11242.9 Ų42.942%0.42323%0.228SC..Hα-helixtrans-63.6-40.7176.3-74.5173.5179.5-165.5-7.7111.9K1480 H1481 L1482 V1486 I1487 A1488 V1503K1480-R1484 WeakPolarHBondContact O-CG 3.46Å; K1480-R1484 PolarHBondContact O-N 2.73Å; K1480-R1484 VanDerWaalsContact O-N 3.11Å; H1481-R1484 WeakPolarHBondContact O-CB 3.23Å; H1481-R1484 PolarHBondContact O-N 2.86Å; L1482-R1484 VanDerWaalsContact C-N 3.3Å; L1482-R1484 PolarHBondContact O-N 3.45Å; R1484-V1486 VanDerWaalsContact C-N 3.34Å; R1484-I1487 PolarHBondContact O-N 3.41Å; R1484-A1488 WeakPolarHBondContact O-CB 3.46Å; R1484-A1488 PolarHBondContact O-N 3.28Å; R1484-V1503 HydrophobicContact CG-CB 4.12Å; R1484-V1503 HydrophobicContact CG-CG1 4.01Å; R1484-V1503 PolarHBondContact NE-O 3.34Å; R1484-V1503 PolarHBondContact NH2-O 3.32Å
1485D96.7Very high93.7Very high104 Ų10449 Ų4956%0.55627%0.268SS*.Hα-helixtrans-63.9-42177.2-62.9-19.8000111H1481 L1482 I1483 A1488 A1489H1481-D1485 VanDerWaalsContact O-CG 3.31Å; H1481-D1485 PolarHBondContact O-N 3.35Å; L1482-D1485 PolarHBondContact O-N 2.48Å; I1483-D1485 VanDerWaalsContact C-N 3.35Å; D1485-A1488 PolarHBondContact O-N 2.97Å; D1485-A1489 WeakPolarHBondContact O-CB 3.23Å; D1485-A1489 PolarHBondContact O-N 3.17Å
1486V97Very high93.4Very high11 Ų1150.8 Ų50.87%0.06728%0.277CS..Hα-helixtrans-64.8-41.5175.61790000111.3E1451 V1454 L1482 I1483 R1484 A1489 R1490E1451-V1486 WeakPolarHBondContact OE2-CG1 3.4Å; V1454-V1486 HydrophobicContact CB-CG1 3.85Å; V1454-V1486 HydrophobicContact CG1-CG1 3.93Å; V1454-V1486 HydrophobicContact CG2-CB 4.15Å; V1454-V1486 HydrophobicContact CG2-CG1 3.8Å; L1482-V1486 HydrophobicContact CD1-CG2 4.46Å; L1482-V1486 VanDerWaalsContact O-CG2 3.31Å; L1482-V1486 WeakPolarHBondContact O-CG2 3.47Å; L1482-V1486 PolarHBondContact O-N 3.31Å; I1483-V1486 PolarHBondContact O-N 3.2Å; R1484-V1486 VanDerWaalsContact C-N 3.34Å; V1486-A1489 PolarHBondContact O-N 3.14Å; V1486-R1490 HydrophobicContact CG1-CG 4.47Å; V1486-R1490 WeakPolarHBondContact O-CB 3.42Å; V1486-R1490 WeakPolarHBondContact O-CG 3.39Å; V1486-R1490 PolarHBondContact O-N 3.43Å
1487I97.1Very high93.3Very high4 Ų449.9 Ų49.92%0.02127%0.274CS..Hα-helixtrans-64.9-43.3175.4-71165.3000111.2V1454 I1472 I1483 R1484 A1489 R1490 C1491 A1492 N1499 P1500 V1503V1454-I1487 HydrophobicContact CG1-CG1 4.14Å; V1454-I1487 HydrophobicContact CG2-CD1 4.32Å; V1454-I1487 HydrophobicContact CG2-CG1 3.7Å; I1472-I1487 HydrophobicContact CD1-CD1 3.92Å; I1483-I1487 HydrophobicContact CG2-CD1 3.69Å; I1483-I1487 HydrophobicContact CG2-CG1 4.41Å; I1483-I1487 WeakPolarHBondContact O-CB 3.48Å; I1483-I1487 WeakPolarHBondContact O-CD1 3.27Å; I1483-I1487 VanDerWaalsContact O-CG1 3.25Å; I1483-I1487 WeakPolarHBondContact O-CG1 3.23Å; I1483-I1487 PolarHBondContact O-N 3.3Å; R1484-I1487 PolarHBondContact O-N 3.41Å; I1487-A1489 VanDerWaalsContact C-N 3.28Å; I1487-A1489 PolarHBondContact O-N 3.26Å; I1487-R1490 PolarHBondContact O-N 3.13Å; I1487-C1491 HydrophobicContact CG2-CB 4.09Å; I1487-C1491 WeakPolarHBondContact O-CA 3.48Å; I1487-C1491 WeakPolarHBondContact O-CB 3.41Å; I1487-C1491 PolarHBondContact O-N 2.94Å; I1487-A1492 PolarHBondContact O-N 2.99Å; I1487-N1499 WeakPolarHBondContact CG2-OD1 3.41Å; I1487-P1500 HydrophobicContact CD1-CG 3.95Å; I1487-V1503 HydrophobicContact CD1-CG2 3.58Å
1488A95Very high93.4Very high57 Ų5747.7 Ų47.747%0.47127%0.266SS..Iπ-helixtrans-60.4-41.4177.200000111.2R1484 D1485R1484-A1488 WeakPolarHBondContact O-CB 3.46Å; R1484-A1488 PolarHBondContact O-N 3.28Å; D1485-A1488 PolarHBondContact O-N 2.97Å
1489A94Very high93.5Very high86 Ų8651.8 Ų51.871%0.71129%0.288SS*.Iπ-helixtrans-71.8-32.817900000114.1D1485 V1486 I1487D1485-A1489 WeakPolarHBondContact O-CB 3.23Å; D1485-A1489 PolarHBondContact O-N 3.17Å; V1486-A1489 PolarHBondContact O-N 3.14Å; I1487-A1489 VanDerWaalsContact C-N 3.28Å; I1487-A1489 PolarHBondContact O-N 3.26Å
1490R92.1Very high93.4Very high115 Ų11552.3 Ų52.343%0.43429%0.291SS..Iπ-helixtrans-110.4-30.6-170.5-62.3-175.9-177.2-81.3-0.7115.4E1451 M1458 V1486 I1487E1451-R1490 IonicContact OE1-CZ 3.71Å; E1451-R1490 IonicContact OE1-NE 3.65Å; E1451-R1490 IonicContact OE1-NH2 3.5Å; E1451-R1490 PolarHBondContact OE1-NH2 2.92Å; E1451-R1490 IonicContact OE2-CZ 3.91Å; E1451-R1490 IonicContact OE2-NE 3.29Å; E1451-R1490 PolarHBondContact OE2-NE 3.11Å; E1451-R1490 IonicContact OE2-NH2 2.83Å; E1451-R1490 PolarHBondContact OE2-NH2 3.04Å; M1458-R1490 HydrophobicContact SD-CB 4.27Å; V1486-R1490 HydrophobicContact CG1-CG 4.47Å; V1486-R1490 WeakPolarHBondContact O-CB 3.42Å; V1486-R1490 WeakPolarHBondContact O-CG 3.39Å; V1486-R1490 PolarHBondContact O-N 3.43Å; I1487-R1490 PolarHBondContact O-N 3.13Å
1491C94.2Very high93.3Very high0 Ų055 Ų550%031%0.311CS..Iπ-helixtrans-123.3-42.8-163.9-54.80000114Y1457 M1458 I1487 Q1493 N1494 L1497 G1498Y1457-C1491 HydrophobicContact CE1-CB 4.31Å; M1458-C1491 VanDerWaalsContact CG-SG 3.53Å; I1487-C1491 HydrophobicContact CG2-CB 4.09Å; I1487-C1491 WeakPolarHBondContact O-CA 3.48Å; I1487-C1491 WeakPolarHBondContact O-CB 3.41Å; I1487-C1491 PolarHBondContact O-N 2.94Å; C1491-Q1493 VanDerWaalsContact C-N 3.35Å; C1491-Q1493 PolarHBondContact O-N 3.01Å; C1491-N1494 WeakPolarHBondContact O-CB 3.23Å; C1491-N1494 PolarHBondContact O-N 3.14Å; C1491-L1497 HydrophobicContact CB-CB 4.11Å; C1491-L1497 HydrophobicContact CB-CD1 4.47Å; C1491-G1498 WeakPolarHBondContact CB-O 3.3Å; C1491-G1498 PolarHBondContact O-N 3.02Å
1492A84.9Confident93.2Very high32 Ų3255.6 Ų55.626%0.26431%0.313SS..Iπ-helixtrans-57.6-43.4-166.300000113.5I1487 N1494 N1499I1487-A1492 PolarHBondContact O-N 2.99Å; A1492-N1494 VanDerWaalsContact C-N 3.26Å; A1492-N1494 PolarHBondContact O-N 3.11Å; A1492-N1499 WeakPolarHBondContact CB-OD1 3.32Å
1493Q86.8Confident93.2Very high157 Ų15755.1 Ų55.173%0.73431%0.311SS*.THydrogen-bonded Turntrans-82.60.9179.6-61-60.3-26.100113.7C1491 P1495C1491-Q1493 VanDerWaalsContact C-N 3.35Å; C1491-Q1493 PolarHBondContact O-N 3.01Å; Q1493-P1495 WeakPolarHBondContact O-CD 3.39Å
1494N88Confident93.1Very high29 Ų2955.5 Ų55.516%0.15531%0.314CS..  trans-103.2110.1-175.3-171-28.4000110.3C1491 A1492 L1496 L1497 G1498 Y1635C1491-N1494 WeakPolarHBondContact O-CB 3.23Å; C1491-N1494 PolarHBondContact O-N 3.14Å; A1492-N1494 VanDerWaalsContact C-N 3.26Å; A1492-N1494 PolarHBondContact O-N 3.11Å; N1494-L1496 PolarHBondContact O-N 3.24Å; N1494-L1496 VanDerWaalsContact O-N 3.09Å; N1494-L1496 WeakPolarHBondContact OD1-CB 3.45Å; N1494-L1496 PolarHBondContact OD1-N 3Å; N1494-L1497 HydrophobicContact CB-CB 4.26Å; N1494-L1497 HydrophobicContact CB-CD1 4.23Å; N1494-L1497 HydrophobicContact CB-CG 4.35Å; N1494-L1497 PolarHBondContact O-N 3.35Å; N1494-G1498 PolarHBondContact O-N 3.36Å; N1494-Y1635 VanDerWaalsContact ND2-CE2 3.28Å; N1494-Y1635 WeakPolarHBondContact ND2-CE2 3.43Å; N1494-Y1635 VanDerWaalsContact ND2-CZ 3.25Å; N1494-Y1635 PolarHBondContact ND2-OH 3.06Å; N1494-Y1635 PolarHBondContact OD1-OH 3.42Å
1495P85.3Confident93Very high128 Ų12850.8 Ų50.883%0.83130%0.297SS*.THydrogen-bonded Turntrans-59.4-26.1-175.6-24.733.7000114.5Q1493Q1493-P1495 WeakPolarHBondContact O-CD 3.39Å
1496L87.5Confident92.8Very high48 Ų4845.9 Ų45.925%0.25127%0.271SS..THydrogen-bonded Turntrans-71.6-34.8176.7-174.965.9000111.6R1461 N1494 Y1635 K1638 L1642R1461-L1496 PolarHBondContact NH2-O 3.49Å; N1494-L1496 PolarHBondContact O-N 3.24Å; N1494-L1496 VanDerWaalsContact O-N 3.09Å; N1494-L1496 WeakPolarHBondContact OD1-CB 3.45Å; N1494-L1496 PolarHBondContact OD1-N 3Å; L1496-Y1635 HydrophobicContact CD2-CD2 4.05Å; L1496-Y1635 HydrophobicContact CD2-CE2 3.79Å; L1496-K1638 HydrophobicContact CD2-CG 4.29Å; L1496-L1642 HydrophobicContact CD1-CD1 4.31Å
1497L92.5Very high92.4Very high1 Ų147.7 Ų47.71%0.00528%0.28CS..THydrogen-bonded Turntrans-98.3-62.7-172.2-57.7175.3000111Y1457 M1458 R1461 I1462 C1491 N1494Y1457-L1497 PolarHBondContact OH-O 2.84Å; M1458-L1497 HydrophobicContact CB-CD2 4.32Å; M1458-L1497 HydrophobicContact CE-CD1 3.87Å; M1458-L1497 HydrophobicContact CG-CD1 4.05Å; M1458-L1497 HydrophobicContact CG-CD2 4.49Å; R1461-L1497 HydrophobicContact CB-CD2 3.69Å; R1461-L1497 PolarHBondContact NE-O 3.3Å; I1462-L1497 HydrophobicContact CG1-CD2 3.98Å; C1491-L1497 HydrophobicContact CB-CB 4.11Å; C1491-L1497 HydrophobicContact CB-CD1 4.47Å; N1494-L1497 HydrophobicContact CB-CB 4.26Å; N1494-L1497 HydrophobicContact CB-CD1 4.23Å; N1494-L1497 HydrophobicContact CB-CG 4.35Å; N1494-L1497 PolarHBondContact O-N 3.35Å
1498G92.8Very high91.9Very high19 Ų1955.6 Ų55.620%0.19631%0.31CS..  trans67.2-166.6-175.700000113.9Y1457 C1491 N1494Y1457-G1498 PolarHBondContact OH-O 3.16Å; Y1457-G1498 VanDerWaalsContact OH-O 3.11Å; C1491-G1498 WeakPolarHBondContact CB-O 3.3Å; C1491-G1498 PolarHBondContact O-N 3.02Å; N1494-G1498 PolarHBondContact O-N 3.36Å
1499N94.8Very high91.6Very high87 Ų8753.1 Ų53.147%0.46529%0.289SS..  trans-93143176.2-70.8-45.2000110.9Y1457 A1467 I1487 A1492Y1457-N1499 PolarHBondContact OH-O 2.86Å; A1467-N1499 WeakPolarHBondContact CB-O 3.27Å; I1487-N1499 WeakPolarHBondContact CG2-OD1 3.41Å; A1492-N1499 WeakPolarHBondContact CB-OD1 3.32Å
1500P95.2Very high91.1Very high11 Ų1150.2 Ų50.27%0.07126%0.26CS..  trans-63.7158.7169.528.9-35.4000110.5Y1457 I1472 I1487 K1502 V1503Y1457-P1500 HydrophobicContact CD2-CB 4.05Å; Y1457-P1500 HydrophobicContact CE2-CB 3.59Å; Y1457-P1500 HydrophobicContact CE2-CG 4.39Å; Y1457-P1500 VanDerWaalsContact OH-N 3.12Å; I1472-P1500 HydrophobicContact CD1-CB 4.47Å; I1472-P1500 HydrophobicContact CD1-CG 4.07Å; I1487-P1500 HydrophobicContact CD1-CG 3.95Å; P1500-K1502 PolarHBondContact O-N 2.99Å; P1500-K1502 VanDerWaalsContact O-N 3.08Å; P1500-V1503 HydrophobicContact CG-CG2 3.48Å; P1500-V1503 VanDerWaalsContact CG-CG2 3.48Å
1501S95.4Very high90.5Very high66 Ų6646.6 Ų46.646%0.46226%0.259SS..SBendtrans-44.3-45.2176-171.70000113A1467 E1468 I1470A1467-S1501 PolarHBondContact O-N 3.29Å; E1468-S1501 WeakPolarHBondContact O-CB 3.47Å; E1468-S1501 PolarHBondContact O-OG 3.02Å; I1470-S1501 WeakPolarHBondContact O-CB 3.41Å; I1470-S1501 PolarHBondContact O-N 3.24Å
1502K94.7Very high90.1Very high77 Ų7748 Ų4834%0.33527%0.265SS..EExtended strand (participates in β ladder)trans-156.6144.4176.9-152.2161.7-175.71660112.2T1471 I1472 P1500 T1504 F1509T1471-K1502 HydrophobicContact CG2-CB 4.2Å; I1472-K1502 PolarHBondContact N-O 3.26Å; P1500-K1502 PolarHBondContact O-N 2.99Å; P1500-K1502 VanDerWaalsContact O-N 3.08Å; K1502-T1504 HydrophobicContact CD-CG2 4.26Å; K1502-T1504 HydrophobicContact CG-CG2 4.1Å; K1502-F1509 HydrophobicContact CB-CE2 4.43Å; K1502-F1509 HydrophobicContact CD-CD2 3.92Å; K1502-F1509 HydrophobicContact CD-CE2 3.83Å
1503V97.6Very high90.4Very high14 Ų1450.6 Ų50.69%0.08527%0.272CS..EExtended strand (participates in β ladder)trans-123.4110166.3-172.20000108.5I1472 K1480 I1483 R1484 I1487 P1500I1472-V1503 HydrophobicContact CB-CG1 4.47Å; I1472-V1503 HydrophobicContact CB-CG2 4.36Å; I1472-V1503 WeakPolarHBondContact O-CA 3.49Å; K1480-V1503 HydrophobicContact CG-CG1 4.25Å; I1483-V1503 HydrophobicContact CB-CG1 4.19Å; I1483-V1503 HydrophobicContact CG2-CG1 3.67Å; R1484-V1503 HydrophobicContact CG-CB 4.12Å; R1484-V1503 HydrophobicContact CG-CG1 4.01Å; R1484-V1503 PolarHBondContact NE-O 3.34Å; R1484-V1503 PolarHBondContact NH2-O 3.32Å; I1487-V1503 HydrophobicContact CD1-CG2 3.58Å; P1500-V1503 HydrophobicContact CG-CG2 3.48Å; P1500-V1503 VanDerWaalsContact CG-CG2 3.48Å
1504T96.6Very high90.8Very high8 Ų844.1 Ų44.15%0.04924%0.242CC..EExtended strand (participates in β ladder)trans-153.3171.8-174.1-170.30000112.4I1472 L1473 T1474 K1502 R1508 F1509I1472-T1504 PolarHBondContact O-N 3.43Å; L1473-T1504 WeakPolarHBondContact CA-O 3.28Å; L1473-T1504 HydrophobicContact CD2-CG2 3.77Å; T1474-T1504 PolarHBondContact N-O 2.98Å; T1474-T1504 VanDerWaalsContact N-O 3.17Å; K1502-T1504 HydrophobicContact CD-CG2 4.26Å; K1502-T1504 HydrophobicContact CG-CG2 4.1Å; T1504-R1508 WeakPolarHBondContact OG1-CB 3.47Å; T1504-F1509 HydrophobicContact CG2-CB 3.74Å; T1504-F1509 HydrophobicContact CG2-CD2 3.78Å; T1504-F1509 HydrophobicContact CG2-CG 4.07Å
1505T94.9Very high91.2Very high13 Ų1343.4 Ų43.48%0.0824%0.238CC..EExtended strand (participates in β ladder)trans-76152.5170.8580000111.7T1474 N1477 K1480 D1507 R1508 F1509T1474-T1505 CarbonylContact O-C 3.52Å; T1474-T1505 WeakPolarHBondContact O-CA 3.38Å; N1477-T1505 HydrophobicContact CB-CG2 4.43Å; K1480-T1505 HydrophobicContact CB-CG2 4.45Å; T1505-D1507 VanDerWaalsContact C-N 3.31Å; T1505-D1507 PolarHBondContact O-N 2.91Å; T1505-R1508 PolarHBondContact O-N 3.01Å; T1505-F1509 PolarHBondContact O-N 3.33Å
1506V92.6Very high91.8Very high1 Ų137.9 Ų37.91%0.00620%0.201CC..THydrogen-bonded Turntrans-51-49.8176.9172.10000111.3L1473 T1474 R1508 F1509 Q1510 V1538 A1539L1473-V1506 HydrophobicContact CB-CG2 4.21Å; T1474-V1506 PolarHBondContact O-N 2.75Å; V1506-R1508 VanDerWaalsContact C-N 3.32Å; V1506-R1508 PolarHBondContact O-N 2.93Å; V1506-F1509 PolarHBondContact O-N 3.39Å; V1506-Q1510 PolarHBondContact O-N 3.27Å; V1506-V1538 HydrophobicContact CG1-CB 4.02Å; V1506-V1538 HydrophobicContact CG1-CG1 3.68Å; V1506-A1539 HydrophobicContact CG1-CB 3.88Å; V1506-A1539 HydrophobicContact CG2-CB 3.89Å
1507D87.9Confident92.3Very high49 Ų4935.6 Ų35.626%0.26219%0.189SC..G310 helixtrans-58-42.9-178.5-59.36.9000112.5L1346 T1505 F1509 Q1510 R1535L1346-D1507 HydrophobicContact CD1-CB 3.97Å; T1505-D1507 VanDerWaalsContact C-N 3.31Å; T1505-D1507 PolarHBondContact O-N 2.91Å; D1507-F1509 PolarHBondContact O-N 2.93Å; D1507-Q1510 WeakPolarHBondContact O-CB 3.21Å; D1507-Q1510 PolarHBondContact O-N 3.08Å; D1507-R1535 IonicContact OD1-CZ 3.26Å; D1507-R1535 IonicContact OD1-NH1 2.75Å; D1507-R1535 PolarHBondContact OD1-NH1 3.34Å; D1507-R1535 IonicContact OD2-CZ 3.36Å; D1507-R1535 IonicContact OD2-NH1 3.87Å; D1507-R1535 PolarHBondContact OD2-NH1 3.09Å; D1507-R1535 IonicContact OD2-NH2 3.91Å; D1507-R1535 PolarHBondContact OD2-NH2 2.99Å
1508R86.8Confident92.6Very high170 Ų17035.6 Ų35.664%0.64219%0.189SC*.G310 helixtrans-73.3-14.1179.6-74.1-172.1-179.2-161.11113.5T1504 T1505 V1506T1504-R1508 WeakPolarHBondContact OG1-CB 3.47Å; T1505-R1508 PolarHBondContact O-N 3.01Å; V1506-R1508 VanDerWaalsContact C-N 3.32Å; V1506-R1508 PolarHBondContact O-N 2.93Å
1509F90.1Very high92.9Very high5 Ų534.8 Ų34.82%0.02218%0.18CC..G310 helixtrans-99.19.1177.7-157.2-109.9000112.4T1471 L1473 K1502 T1504 T1505 V1506 D1507 Q1512 R1542T1471-F1509 HydrophobicContact CG2-CD2 4.45Å; T1471-F1509 HydrophobicContact CG2-CE1 4.12Å; T1471-F1509 HydrophobicContact CG2-CE2 4.02Å; T1471-F1509 HydrophobicContact CG2-CZ 3.84Å; L1473-F1509 HydrophobicContact CD1-CD1 3.92Å; L1473-F1509 HydrophobicContact CD2-CB 3.67Å; L1473-F1509 HydrophobicContact CD2-CD1 3.79Å; L1473-F1509 HydrophobicContact CD2-CD2 4.27Å; L1473-F1509 HydrophobicContact CD2-CG 3.64Å; L1473-F1509 HydrophobicContact CG-CD1 4.43Å; K1502-F1509 HydrophobicContact CB-CE2 4.43Å; K1502-F1509 HydrophobicContact CD-CD2 3.92Å; K1502-F1509 HydrophobicContact CD-CE2 3.83Å; T1504-F1509 HydrophobicContact CG2-CB 3.74Å; T1504-F1509 HydrophobicContact CG2-CD2 3.78Å; T1504-F1509 HydrophobicContact CG2-CG 4.07Å; T1505-F1509 PolarHBondContact O-N 3.33Å; V1506-F1509 PolarHBondContact O-N 3.39Å; D1507-F1509 PolarHBondContact O-N 2.93Å; F1509-Q1512 HydrophobicContact CD1-CB 4.12Å; F1509-Q1512 HydrophobicContact CD2-CB 3.8Å; F1509-Q1512 HydrophobicContact CE1-CB 3.95Å; F1509-Q1512 HydrophobicContact CE2-CB 3.6Å; F1509-Q1512 HydrophobicContact CE2-CG 4.42Å; F1509-Q1512 VanDerWaalsContact CE2-OE1 3.29Å; F1509-Q1512 HydrophobicContact CG-CB 4.06Å; F1509-Q1512 HydrophobicContact CZ-CB 3.68Å; F1509-Q1512 PolarHBondContact O-N 3.38Å; F1509-Q1512 VanDerWaalsContact O-N 3.17Å; F1509-R1542 HydrophobicContact CD1-CB 4.04Å; F1509-R1542 HydrophobicContact CD1-CG 3.81Å; F1509-R1542 HydrophobicContact CE1-CB 4.12Å; F1509-R1542 HydrophobicContact CE1-CG 4.38Å; F1509-R1542 WeakPolarHBondContact O-CD 3.43Å
1510Q83.4Confident93Very high24 Ų2430.6 Ų30.611%0.11216%0.158CC..THydrogen-bonded Turntrans-60.6149.1170.9-169.2171.96.800110.8Q1311 L1346 V1506 D1507 Q1512 V1538Q1311-Q1510 VanDerWaalsContact CD-CD 3.49Å; Q1311-Q1510 VanDerWaalsContact NE2-CD 3.34Å; L1346-Q1510 VanDerWaalsContact CB-OE1 3.28Å; V1506-Q1510 PolarHBondContact O-N 3.27Å; D1507-Q1510 WeakPolarHBondContact O-CB 3.21Å; D1507-Q1510 PolarHBondContact O-N 3.08Å; Q1510-Q1512 PolarHBondContact O-N 3.5Å; Q1510-V1538 HydrophobicContact CB-CG1 4.42Å
1511G78Confident93.1Very high39 Ų3930.2 Ų30.240%0.40216%0.155SC..THydrogen-bonded Turntrans72.3-19.8-169.700000115.3R1542G1511-R1542 VanDerWaalsContact N-NH1 3.16Å
1512Q86.9Confident93.1Very high31 Ų3127 Ų2715%0.14513%0.133CC..  trans-97.9164.9178.5-66166.547.200111.9F1509 Q1510 R1542F1509-Q1512 HydrophobicContact CD1-CB 4.12Å; F1509-Q1512 HydrophobicContact CD2-CB 3.8Å; F1509-Q1512 HydrophobicContact CE1-CB 3.95Å; F1509-Q1512 HydrophobicContact CE2-CB 3.6Å; F1509-Q1512 HydrophobicContact CE2-CG 4.42Å; F1509-Q1512 VanDerWaalsContact CE2-OE1 3.29Å; F1509-Q1512 HydrophobicContact CG-CB 4.06Å; F1509-Q1512 HydrophobicContact CZ-CB 3.68Å; F1509-Q1512 PolarHBondContact O-N 3.38Å; F1509-Q1512 VanDerWaalsContact O-N 3.17Å; Q1510-Q1512 PolarHBondContact O-N 3.5Å; Q1512-R1542 WeakPolarHBondContact O-CD 3.4Å; Q1512-R1542 PolarHBondContact O-NH1 2.73Å
1513Q90.6Very high93Very high86 Ų8624.1 Ų24.140%0.40212%0.12SC..  trans-154159.517966.4-16341.500110.4R1384 R1542R1384-Q1513 VanDerWaalsContact CD-CD 3.44Å; Q1513-R1542 VanDerWaalsContact CA-O 3.26Å; Q1513-R1542 WeakPolarHBondContact CA-O 3.33Å; Q1513-R1542 WeakPolarHBondContact CB-O 3.43Å
1514N95.9Very high92.5Very high20 Ų2024.6 Ų24.611%0.10712%0.123CC..EExtended strand (participates in β ladder)trans-145.1166.2169.6-151-12000111.1E1468 K1469 I1470 T1471 V1517 R1542 A1543 R1544E1468-N1514 PolarHBondContact O-ND2 3.36Å; K1469-N1514 VanDerWaalsContact C-CG 3.48Å; K1469-N1514 WeakPolarHBondContact CA-OD1 3.35Å; K1469-N1514 VanDerWaalsContact O-CG 3.3Å; K1469-N1514 PolarHBondContact O-ND2 2.78Å; K1469-N1514 PolarHBondContact O-OD1 2.84Å; I1470-N1514 PolarHBondContact N-ND2 3.43Å; T1471-N1514 WeakPolarHBondContact OG1-CB 3.49Å; T1471-N1514 PolarHBondContact OG1-ND2 3.1Å; N1514-V1517 HydrophobicContact CB-CG2 4.47Å; N1514-R1542 PolarHBondContact N-O 3.39Å; N1514-A1543 WeakPolarHBondContact O-CA 3.26Å; N1514-R1544 PolarHBondContact O-N 3.22Å
1515D96Very high91.6Very high14 Ų1431 Ų318%0.07515%0.146CC..EExtended strand (participates in β ladder)trans-63.4-47.1-180-74.8-4.5000110.7K1469 R1544 L1545 G1546K1469-D1515 HydrophobicContact CB-CB 4.35Å; K1469-D1515 WeakPolarHBondContact CD-OD2 3.5Å; K1469-D1515 IonicContact NZ-OD2 2.77Å; K1469-D1515 PolarHBondContact NZ-OD2 3.44Å; K1469-D1515 VanDerWaalsContact NZ-OD2 3.16Å; D1515-R1544 IonicContact OD1-CZ 2.9Å; D1515-R1544 IonicContact OD1-NE 2.79Å; D1515-R1544 IonicContact OD1-NH1 3.39Å; D1515-R1544 PolarHBondContact OD1-NH1 3.02Å; D1515-L1545 HydrophobicContact CB-CD1 4.09Å; D1515-L1545 HydrophobicContact CB-CG 4.38Å; D1515-L1545 WeakPolarHBondContact O-CA 3.23Å; D1515-L1545 WeakPolarHBondContact O-CB 3.18Å; D1515-L1545 PolarHBondContact O-N 2.78Å; D1515-G1546 PolarHBondContact O-N 3.16Å; D1515-G1546 VanDerWaalsContact O-N 3.07Å
1516Y97.6Very high90.5Very high13 Ų1333 Ų335%0.05116%0.159CC..EExtended strand (participates in β ladder)trans-123.6129.5179.8-51.7-79.4000111.8M1460 Y1465 K1469 I1470 T1471 L1545 G1546M1460-Y1516 HydrophobicContact CE-CD1 4.25Å; M1460-Y1516 HydrophobicContact CE-CD2 4.39Å; M1460-Y1516 HydrophobicContact CE-CG 3.87Å; Y1465-Y1516 AromaticContact CD1-CD2 3.81Å; Y1465-Y1516 HydrophobicContact CD1-CD2 3.81Å; Y1465-Y1516 AromaticContact CD1-CE2 3.66Å; Y1465-Y1516 HydrophobicContact CD1-CE2 3.66Å; Y1465-Y1516 HydrophobicContact CD1-CG 4.33Å; Y1465-Y1516 AromaticContact CE1-CD1 3.99Å; Y1465-Y1516 HydrophobicContact CE1-CD1 3.99Å; Y1465-Y1516 AromaticContact CE1-CD2 3.9Å; Y1465-Y1516 HydrophobicContact CE1-CD2 3.9Å; Y1465-Y1516 AromaticContact CE1-CE1 3.67Å; Y1465-Y1516 HydrophobicContact CE1-CE1 3.67Å; Y1465-Y1516 AromaticContact CE1-CE2 3.58Å; Y1465-Y1516 HydrophobicContact CE1-CE2 3.58Å; Y1465-Y1516 HydrophobicContact CE1-CG 4.11Å; Y1465-Y1516 AromaticContact CE1-CZ 3.46Å; Y1465-Y1516 VanDerWaalsContact CE1-CZ 3.46Å; K1469-Y1516 HydrophobicContact CB-CD2 4.24Å; K1469-Y1516 PolarHBondContact O-N 2.85Å; I1470-Y1516 WeakPolarHBondContact CA-O 3.31Å; T1471-Y1516 PolarHBondContact N-O 2.88Å; Y1516-L1545 HydrophobicContact CE1-CB 4.04Å; Y1516-G1546 WeakPolarHBondContact CA-O 3.24Å
1517V98.2Very high89.8Confident0 Ų033.4 Ų33.40%016%0.161CC..EExtended strand (participates in β ladder)trans-126.7128179.5-175.90000110.8T1471 L1473 N1514 V1519 R1542 A1543 G1546 L1547 Y1548T1471-V1517 WeakPolarHBondContact O-CA 3.49Å; L1473-V1517 HydrophobicContact CB-CG1 4.3Å; L1473-V1517 HydrophobicContact CD1-CG1 3.55Å; L1473-V1517 HydrophobicContact CG-CG1 3.71Å; N1514-V1517 HydrophobicContact CB-CG2 4.47Å; V1517-V1519 HydrophobicContact CG1-CG2 3.8Å; V1517-R1542 HydrophobicContact CG2-CB 4.24Å; V1517-A1543 HydrophobicContact CB-CB 3.94Å; V1517-A1543 HydrophobicContact CG2-CB 3.77Å; V1517-G1546 PolarHBondContact N-O 3.37Å; V1517-L1547 HydrophobicContact CB-CD1 4.17Å; V1517-L1547 HydrophobicContact CG1-CD1 4.39Å; V1517-L1547 WeakPolarHBondContact O-CA 3.43Å; V1517-Y1548 PolarHBondContact O-N 3.43Å; V1517-Y1548 VanDerWaalsContact O-N 3.08Å
1518L98.6Very high89.4Confident0 Ų032.3 Ų32.30%016%0.161CC..EExtended strand (participates in β ladder)trans-102.4128.9170.3-49.9-178.9000108.5V1453 V1456 M1460 I1470 T1471 I1472 L1473 Y1548V1453-L1518 HydrophobicContact CG1-CB 3.97Å; V1453-L1518 HydrophobicContact CG1-CD1 4.22Å; V1456-L1518 HydrophobicContact CG1-CD1 4.32Å; V1456-L1518 HydrophobicContact CG1-CD2 4.12Å; M1460-L1518 HydrophobicContact SD-CD1 4.42Å; M1460-L1518 HydrophobicContact SD-CD2 4.11Å; I1470-L1518 HydrophobicContact CG2-CD1 4.41Å; I1470-L1518 HydrophobicContact CG2-CG 4.43Å; T1471-L1518 PolarHBondContact O-N 3.49Å; I1472-L1518 CarbonylContact C-O 3.57Å; I1472-L1518 WeakPolarHBondContact CA-O 3.5Å; I1472-L1518 HydrophobicContact CG1-CB 4.27Å; I1472-L1518 HydrophobicContact CG1-CD1 4.21Å; L1473-L1518 PolarHBondContact N-O 2.84Å; L1518-Y1548 CarbonylContact C-O 3.52Å; L1518-Y1548 WeakPolarHBondContact CA-O 3.42Å; L1518-Y1548 HydrophobicContact CD2-CD2 3.74Å; L1518-Y1548 HydrophobicContact CD2-CG 4.16Å
1519V98.2Very high89Confident2 Ų227 Ų271%0.01214%0.143CC..EExtended strand (participates in β ladder)trans-122126.6-174.7-173.20000110.9L1473 V1517 L1521 L1547 Y1548 I1549 F1550L1473-V1519 HydrophobicContact CB-CG2 4.39Å; L1473-V1519 CarbonylContact O-C 3.57Å; L1473-V1519 WeakPolarHBondContact O-CA 3.44Å; V1517-V1519 HydrophobicContact CG1-CG2 3.8Å; V1519-L1521 HydrophobicContact CG1-CD2 3.63Å; V1519-L1547 HydrophobicContact CG2-CD1 3.71Å; V1519-Y1548 PolarHBondContact N-O 2.94Å; V1519-I1549 HydrophobicContact CB-CG1 4.29Å; V1519-I1549 HydrophobicContact CB-CG2 4.4Å; V1519-I1549 CarbonylContact O-C 3.52Å; V1519-I1549 WeakPolarHBondContact O-CA 3.48Å; V1519-F1550 PolarHBondContact O-N 3.06Å
1520S98.2Very high88.8Confident0 Ų026.8 Ų26.80%014%0.143CC..EExtended strand (participates in β ladder)trans-105.9122.5169.4164.30000111E1449 L1473 T1474 T1475 Q1479E1449-S1520 WeakPolarHBondContact OE2-CB 3.5Å; E1449-S1520 PolarHBondContact OE2-OG 3.28Å; L1473-S1520 PolarHBondContact O-N 3.26Å; T1474-S1520 WeakPolarHBondContact CA-O 3.39Å; T1474-S1520 PolarHBondContact OG1-O 3.44Å; T1475-S1520 PolarHBondContact N-O 2.98Å; Q1479-S1520 PolarHBondContact NE2-OG 3.42Å
1521L96.8Very high88.8Confident2 Ų227.2 Ų27.21%0.0114%0.143CC..  trans-91-14.9-178.2-53.3-168000114.1E1449 T1475 V1519 R1523 L1530 I1549 F1550 A1551 F1556 F1566E1449-L1521 PolarHBondContact OE2-N 3.21Å; E1449-L1521 VanDerWaalsContact OE2-N 3.07Å; T1475-L1521 HydrophobicContact CG2-CD2 4.3Å; T1475-L1521 PolarHBondContact OG1-O 3.04Å; T1475-L1521 VanDerWaalsContact OG1-O 3.06Å; V1519-L1521 HydrophobicContact CG1-CD2 3.63Å; L1521-R1523 PolarHBondContact O-N 3.04Å; L1521-L1530 HydrophobicContact CB-CD1 4.15Å; L1521-L1530 HydrophobicContact CD1-CD1 4.2Å; L1521-L1530 HydrophobicContact CD2-CD1 3.91Å; L1521-L1530 HydrophobicContact CG-CD1 4.3Å; L1521-I1549 HydrophobicContact CD1-CG2 3.92Å; L1521-I1549 HydrophobicContact CD2-CG2 4.03Å; L1521-I1549 HydrophobicContact CG-CG2 3.82Å; L1521-F1550 PolarHBondContact N-O 3.34Å; L1521-A1551 HydrophobicContact CB-CB 3.98Å; L1521-A1551 HydrophobicContact CD1-CB 3.6Å; L1521-A1551 HydrophobicContact CG-CB 3.85Å; L1521-F1556 HydrophobicContact CB-CD2 4.49Å; L1521-F1556 HydrophobicContact CB-CE1 4.3Å; L1521-F1556 HydrophobicContact CB-CE2 3.71Å; L1521-F1556 HydrophobicContact CB-CZ 3.59Å; L1521-F1556 HydrophobicContact CD1-CD1 4.26Å; L1521-F1556 HydrophobicContact CD1-CD2 4.05Å; L1521-F1556 HydrophobicContact CD1-CE1 4.28Å; L1521-F1556 HydrophobicContact CD1-CE2 4.08Å; L1521-F1556 HydrophobicContact CD1-CG 4.16Å; L1521-F1556 HydrophobicContact CD1-CZ 4.19Å; L1521-F1566 HydrophobicContact CD1-CZ 3.83Å
1522V95.6Very high89.1Confident0 Ų027.5 Ų27.50%014%0.136CC..  trans72.3-47.5168-167.20000115.1N1446 E1449 T1474 Y1476 Q1479N1446-V1522 HydrophobicContact CB-CG1 3.93Å; N1446-V1522 WeakPolarHBondContact CB-O 3.08Å; N1446-V1522 PolarHBondContact ND2-O 3.28Å; N1446-V1522 VanDerWaalsContact ND2-O 3.14Å; E1449-V1522 PolarHBondContact OE1-N 2.96Å; E1449-V1522 WeakPolarHBondContact OE2-CA 3.45Å; E1449-V1522 PolarHBondContact OE2-N 2.95Å; T1474-V1522 WeakPolarHBondContact OG1-CG2 3.43Å; Y1476-V1522 HydrophobicContact CD2-CB 3.79Å; Y1476-V1522 HydrophobicContact CD2-CG1 4.22Å; Y1476-V1522 HydrophobicContact CD2-CG2 3.9Å; Y1476-V1522 HydrophobicContact CE2-CB 4.39Å; Q1479-V1522 HydrophobicContact CB-CG1 4.33Å; Q1479-V1522 HydrophobicContact CB-CG2 3.54Å; Q1479-V1522 HydrophobicContact CG-CG2 3.49Å; Q1479-V1522 VanDerWaalsContact CG-CG2 3.49Å
1523R91.9Very high89.2Confident16 Ų1626.8 Ų26.86%0.0613%0.133CC..  trans-77.7136.2-165.9-55.6-61-61-98.69.3113.3E1436 Y1476 L1521 T1526 R1552 F1556E1436-R1523 IonicContact OE1-CZ 2.72Å; E1436-R1523 IonicContact OE1-NE 3.38Å; E1436-R1523 PolarHBondContact OE1-NE 2.67Å; E1436-R1523 IonicContact OE1-NH2 2.62Å; E1436-R1523 PolarHBondContact OE1-NH2 2.85Å; E1436-R1523 WeakPolarHBondContact OE2-CA 3.42Å; E1436-R1523 WeakPolarHBondContact OE2-CB 3.03Å; E1436-R1523 IonicContact OE2-CZ 3.47Å; E1436-R1523 IonicContact OE2-NE 3.48Å; E1436-R1523 PolarHBondContact OE2-NE 3.31Å; E1436-R1523 IonicContact OE2-NH2 3.45Å; Y1476-R1523 HydrophobicContact CE2-CG 3.51Å; Y1476-R1523 PolarHBondContact OH-NH1 3.37Å; L1521-R1523 PolarHBondContact O-N 3.04Å; R1523-T1526 WeakPolarHBondContact CB-O 3.17Å; R1523-T1526 PolarHBondContact NH2-OG1 3.23Å; R1523-R1552 WeakPolarHBondContact O-CB 3.33Å; R1523-F1556 HydrophobicContact CB-CZ 3.93Å; R1523-F1556 VanDerWaalsContact O-CE2 3.3Å; R1523-F1556 WeakPolarHBondContact O-CE2 3.43Å
1524T87.9Confident89.2Confident23 Ų2326.1 Ų26.114%0.14113%0.127CC..SBendtrans-120.2-18.2176.371.10000113.9E1436 R1552E1436-T1524 HydrophobicContact CB-CG2 4.45Å; E1436-T1524 PolarHBondContact N-OG1 3.22Å; E1436-T1524 VanDerWaalsContact N-OG1 3.15Å; E1436-T1524 PolarHBondContact OE2-N 3.11Å; T1524-R1552 HydrophobicContact CG2-CB 4.11Å
1525R77.5Confident89Confident142 Ų14227.7 Ų27.754%0.53613%0.132SC..SBendtrans-103-43.9-176.8-60.5178.1-174.3161.24.3114.5E1436 Q1555E1436-R1525 HydrophobicContact CG-CG 4.07Å; E1436-R1525 PolarHBondContact OE2-N 3.39Å; R1525-Q1555 PolarHBondContact O-OE1 3.14Å
1526T72.5Confident88.9Confident56 Ų5627.1 Ų27.134%0.34413%0.128SC..SBendtrans-138.2152.7176.762.50000108.9R1523 G1528R1523-T1526 WeakPolarHBondContact CB-O 3.17Å; R1523-T1526 PolarHBondContact NH2-OG1 3.23Å; T1526-G1528 PolarHBondContact O-N 3.11Å; T1526-G1528 VanDerWaalsContact O-N 3.12Å
1527V78.1Confident88.7Confident10 Ų1026.5 Ų26.56%0.06113%0.126CC..  trans-60.8-26.2-177.9-179.20000112.4L1530 R1531 Q1555 F1556 C1559 L1562V1527-L1530 HydrophobicContact CG1-CB 4.22Å; V1527-R1531 HydrophobicContact CG1-CB 4.21Å; V1527-Q1555 HydrophobicContact CG2-CG 4.44Å; V1527-F1556 HydrophobicContact CG1-CD1 3.94Å; V1527-F1556 HydrophobicContact CG1-CE1 4.03Å; V1527-C1559 HydrophobicContact CG2-CB 3.85Å; V1527-L1562 HydrophobicContact CG1-CD1 3.49Å; V1527-L1562 VanDerWaalsContact CG1-CD1 3.49Å
1528G78.6Confident88.5Confident26 Ų2626.5 Ų26.527%0.26813%0.126SC..G310 helixtrans65.5-151.5-177.500000112.4T1526 L1530 R1531T1526-G1528 PolarHBondContact O-N 3.11Å; T1526-G1528 VanDerWaalsContact O-N 3.12Å; G1528-L1530 PolarHBondContact O-N 3.48Å; G1528-L1530 VanDerWaalsContact O-N 3.14Å; G1528-R1531 WeakPolarHBondContact O-CB 3.18Å; G1528-R1531 PolarHBondContact O-N 3.16Å; G1528-R1531 VanDerWaalsContact O-N 3.15Å
1529H79.3Confident88.3Confident57 Ų5726.6 Ų26.626%0.26413%0.127SC..G310 helixtrans-69.3-11.7-174.467.176.2000113.6T1475 Y1476 R1531 D1532 R1535T1475-H1529 PolarHBondContact O-NE2 3.33Å; Y1476-H1529 AromaticContact CD1-NE2 3.88Å; Y1476-H1529 AromaticContact CE1-CD2 3.36Å; Y1476-H1529 WeakPolarHBondContact CE1-CD2 3.35Å; Y1476-H1529 AromaticContact CE1-NE2 3.49Å; Y1476-H1529 WeakPolarHBondContact CE1-NE2 3.46Å; Y1476-H1529 AromaticContact CE2-CD2 4Å; Y1476-H1529 AromaticContact CE2-NE2 3.58Å; Y1476-H1529 AromaticContact CZ-CD2 3.26Å; Y1476-H1529 AromaticContact CZ-NE2 3.32Å; Y1476-H1529 VanDerWaalsContact CZ-NE2 3.32Å; Y1476-H1529 PolarHBondContact OH-CD2 3.41Å; Y1476-H1529 VanDerWaalsContact OH-CD2 3.24Å; H1529-R1531 PolarHBondContact O-N 3.14Å; H1529-D1532 PolarHBondContact O-N 2.94Å; H1529-R1535 WeakPolarHBondContact ND1-CD 3.31Å; H1529-R1535 PolarHBondContact ND1-NH1 3.47Å; H1529-R1535 VanDerWaalsContact O-CD 3.28Å; H1529-R1535 WeakPolarHBondContact O-CD 3.27Å
1530L85.6Confident88.2Confident2 Ų226.6 Ų26.61%0.0113%0.127CC..G310 helixtrans-66.8-13.6172.2-87-175.8000113.4T1475 L1521 V1527 G1528 D1532 R1535 L1536 F1556 L1562T1475-L1530 HydrophobicContact CG2-CD1 3.57Å; T1475-L1530 HydrophobicContact CG2-CD2 3.74Å; T1475-L1530 HydrophobicContact CG2-CG 3.63Å; L1521-L1530 HydrophobicContact CB-CD1 4.15Å; L1521-L1530 HydrophobicContact CD1-CD1 4.2Å; L1521-L1530 HydrophobicContact CD2-CD1 3.91Å; L1521-L1530 HydrophobicContact CG-CD1 4.3Å; V1527-L1530 HydrophobicContact CG1-CB 4.22Å; G1528-L1530 PolarHBondContact O-N 3.48Å; G1528-L1530 VanDerWaalsContact O-N 3.14Å; L1530-D1532 CarbonylContact O-C 3.59Å; L1530-D1532 PolarHBondContact O-N 2.94Å; L1530-R1535 HydrophobicContact CD2-CB 3.98Å; L1530-L1536 HydrophobicContact CD2-CB 4.49Å; L1530-F1556 HydrophobicContact CB-CE1 4.24Å; L1530-F1556 HydrophobicContact CD1-CD1 4.26Å; L1530-F1556 HydrophobicContact CD1-CE1 3.56Å; L1530-F1556 HydrophobicContact CD1-CZ 4.17Å; L1530-L1562 WeakPolarHBondContact O-CD2 3.4Å
1531R82.7Confident88Confident33 Ų3326.6 Ų26.613%0.12513%0.127CC..G310 helixtrans-53.7-32.1170.4-170.9-179.5-174.6166.614.3111.6E73 V111 V1527 G1528 H1529 V1533 E1561E73-R1531 IonicContact OE1-CZ 3.4Å; E73-R1531 IonicContact OE1-NH2 2.73Å; E73-R1531 PolarHBondContact OE1-NH2 3.1Å; E73-R1531 IonicContact OE2-CZ 3.9Å; E73-R1531 IonicContact OE2-NH1 3.18Å; E73-R1531 PolarHBondContact OE2-NH1 3.19Å; E73-R1531 IonicContact OE2-NH2 3.98Å; E73-R1531 PolarHBondContact OE2-NH2 3.27Å; V111-R1531 VanDerWaalsContact CG2-CZ 3.43Å; V1527-R1531 HydrophobicContact CG1-CB 4.21Å; G1528-R1531 WeakPolarHBondContact O-CB 3.18Å; G1528-R1531 PolarHBondContact O-N 3.16Å; G1528-R1531 VanDerWaalsContact O-N 3.15Å; H1529-R1531 PolarHBondContact O-N 3.14Å; R1531-V1533 PolarHBondContact O-N 3.13Å; R1531-E1561 IonicContact CZ-OE1 2.86Å; R1531-E1561 VanDerWaalsContact CZ-OE1 3.27Å; R1531-E1561 IonicContact NE-OE1 2.65Å; R1531-E1561 PolarHBondContact NE-OE1 2.78Å; R1531-E1561 IonicContact NE-OE2 3.84Å; R1531-E1561 IonicContact NH2-OE1 3.59Å; R1531-E1561 PolarHBondContact NH2-OE1 3.31Å
1532D83.5Confident87.9Confident45 Ų4526.7 Ų26.724%0.24113%0.127CC..SBendtrans-67.898.8163.4-174.8-5.3000110H1529 L1530 R1534 R1535H1529-D1532 PolarHBondContact O-N 2.94Å; L1530-D1532 CarbonylContact O-C 3.59Å; L1530-D1532 PolarHBondContact O-N 2.94Å; D1532-R1534 PolarHBondContact O-N 3.36Å; D1532-R1534 VanDerWaalsContact OD1-CB 3.24Å; D1532-R1534 WeakPolarHBondContact OD1-CB 3.37Å; D1532-R1534 VanDerWaalsContact OD1-CG 3.29Å; D1532-R1534 WeakPolarHBondContact OD1-CG 3.44Å; D1532-R1534 IonicContact OD1-CZ 2.83Å; D1532-R1534 PolarHBondContact OD1-N 2.98Å; D1532-R1534 IonicContact OD1-NE 2.83Å; D1532-R1534 PolarHBondContact OD1-NE 3.44Å; D1532-R1534 IonicContact OD1-NH2 3.48Å; D1532-R1534 IonicContact OD2-CZ 2.82Å; D1532-R1534 VanDerWaalsContact OD2-CZ 3.31Å; D1532-R1534 IonicContact OD2-NE 3.6Å; D1532-R1534 PolarHBondContact OD2-NE 3.31Å; D1532-R1534 VanDerWaalsContact OD2-NE 3.1Å; D1532-R1534 IonicContact OD2-NH2 3.85Å; D1532-R1534 PolarHBondContact OD2-NH2 3.36Å; D1532-R1535 WeakPolarHBondContact O-CB 3.32Å; D1532-R1535 PolarHBondContact O-N 3.16Å
1533V89.5Confident88Confident16 Ų1626.7 Ų26.710%0.09713%0.127CC..Hα-helixtrans-49.2-32.6179.5-177.60000112.1W1395 R1531 R1535 L1536 I1537 E1561 L1562W1395-V1533 HydrophobicContact CH2-CG1 3.83Å; W1395-V1533 HydrophobicContact CZ2-CG1 4.05Å; R1531-V1533 PolarHBondContact O-N 3.13Å; V1533-R1535 PolarHBondContact O-N 3.29Å; V1533-L1536 CarbonylContact O-C 3.29Å; V1533-L1536 WeakPolarHBondContact O-CA 3.44Å; V1533-L1536 WeakPolarHBondContact O-CB 3.1Å; V1533-L1536 PolarHBondContact O-N 3.04Å; V1533-I1537 HydrophobicContact CG1-CD1 4.34Å; V1533-I1537 HydrophobicContact CG1-CG1 3.99Å; V1533-I1537 WeakPolarHBondContact O-CG1 3.35Å; V1533-I1537 PolarHBondContact O-N 3.15Å; V1533-E1561 HydrophobicContact CG2-CB 3.63Å; V1533-E1561 VanDerWaalsContact CG2-O 3.24Å; V1533-E1561 WeakPolarHBondContact CG2-O 3.38Å; V1533-L1562 HydrophobicContact CG2-CD2 4.1Å
1534R91.5Very high88.2Confident71 Ų7128.7 Ų28.727%0.26814%0.135SC..Hα-helixtrans-57.2-37.1-179.1-60.2174.8-68.2-178.5-0.6111.8H1344 Q1345 D1532 I1537 V1538H1344-R1534 WeakPolarHBondContact O-CG 3.35Å; Q1345-R1534 WeakPolarHBondContact O-CB 3.42Å; Q1345-R1534 VanDerWaalsContact O-CD 3.29Å; Q1345-R1534 WeakPolarHBondContact O-CD 3.37Å; D1532-R1534 PolarHBondContact O-N 3.36Å; D1532-R1534 VanDerWaalsContact OD1-CB 3.24Å; D1532-R1534 WeakPolarHBondContact OD1-CB 3.37Å; D1532-R1534 VanDerWaalsContact OD1-CG 3.29Å; D1532-R1534 WeakPolarHBondContact OD1-CG 3.44Å; D1532-R1534 IonicContact OD1-CZ 2.83Å; D1532-R1534 PolarHBondContact OD1-N 2.98Å; D1532-R1534 IonicContact OD1-NE 2.83Å; D1532-R1534 PolarHBondContact OD1-NE 3.44Å; D1532-R1534 IonicContact OD1-NH2 3.48Å; D1532-R1534 IonicContact OD2-CZ 2.82Å; D1532-R1534 VanDerWaalsContact OD2-CZ 3.31Å; D1532-R1534 IonicContact OD2-NE 3.6Å; D1532-R1534 PolarHBondContact OD2-NE 3.31Å; D1532-R1534 VanDerWaalsContact OD2-NE 3.1Å; D1532-R1534 IonicContact OD2-NH2 3.85Å; D1532-R1534 PolarHBondContact OD2-NH2 3.36Å; R1534-I1537 PolarHBondContact O-N 2.84Å; R1534-V1538 WeakPolarHBondContact O-CG2 3.29Å; R1534-V1538 PolarHBondContact O-N 3.47Å
1535R91.7Very high88.5Confident53 Ų5328.1 Ų28.120%0.213%0.131CC..Hα-helixtrans-67.3-40.2174.8-72.9167.3172.2-87.4-4.2112.2L1346 D1507 H1529 L1530 D1532 V1533 V1538 A1539L1346-R1535 HydrophobicContact CD2-CG 3.45Å; L1346-R1535 VanDerWaalsContact CD2-CG 3.45Å; D1507-R1535 IonicContact OD1-CZ 3.26Å; D1507-R1535 IonicContact OD1-NH1 2.75Å; D1507-R1535 PolarHBondContact OD1-NH1 3.34Å; D1507-R1535 IonicContact OD2-CZ 3.36Å; D1507-R1535 IonicContact OD2-NH1 3.87Å; D1507-R1535 PolarHBondContact OD2-NH1 3.09Å; D1507-R1535 IonicContact OD2-NH2 3.91Å; D1507-R1535 PolarHBondContact OD2-NH2 2.99Å; H1529-R1535 WeakPolarHBondContact ND1-CD 3.31Å; H1529-R1535 PolarHBondContact ND1-NH1 3.47Å; H1529-R1535 VanDerWaalsContact O-CD 3.28Å; H1529-R1535 WeakPolarHBondContact O-CD 3.27Å; L1530-R1535 HydrophobicContact CD2-CB 3.98Å; D1532-R1535 WeakPolarHBondContact O-CB 3.32Å; D1532-R1535 PolarHBondContact O-N 3.16Å; V1533-R1535 PolarHBondContact O-N 3.29Å; R1535-V1538 PolarHBondContact O-N 2.74Å; R1535-A1539 PolarHBondContact O-N 3.25Å
1536L92.8Very high89.4Confident2 Ų221.4 Ų21.41%0.0111%0.106CC..Hα-helixtrans-64.4-42.8174.8-178.662.5000110.8L1530 V1533 V1538 A1539 L1540 L1562 A1565 F1566L1530-L1536 HydrophobicContact CD2-CB 4.49Å; V1533-L1536 CarbonylContact O-C 3.29Å; V1533-L1536 WeakPolarHBondContact O-CA 3.44Å; V1533-L1536 WeakPolarHBondContact O-CB 3.1Å; V1533-L1536 PolarHBondContact O-N 3.04Å; L1536-V1538 VanDerWaalsContact C-N 3.33Å; L1536-V1538 PolarHBondContact O-N 3.16Å; L1536-A1539 WeakPolarHBondContact O-CB 3.35Å; L1536-A1539 PolarHBondContact O-N 2.97Å; L1536-A1539 VanDerWaalsContact O-N 3.13Å; L1536-L1540 HydrophobicContact CD1-CD1 4.05Å; L1536-L1540 HydrophobicContact CD1-CD2 4.37Å; L1536-L1540 HydrophobicContact CD1-CG 3.99Å; L1536-L1540 HydrophobicContact CD2-CD1 4.36Å; L1536-L1540 HydrophobicContact CG-CD1 3.78Å; L1536-L1540 HydrophobicContact CG-CG 4.17Å; L1536-L1540 WeakPolarHBondContact O-CB 3.32Å; L1536-L1540 VanDerWaalsContact O-CG 3.26Å; L1536-L1540 WeakPolarHBondContact O-CG 3.27Å; L1536-L1540 PolarHBondContact O-N 3.48Å; L1536-L1562 HydrophobicContact CB-CD2 4.34Å; L1536-L1562 HydrophobicContact CD2-CB 4.05Å; L1536-L1562 HydrophobicContact CD2-CD2 3.72Å; L1536-L1562 HydrophobicContact CD2-CG 4.32Å; L1536-A1565 HydrophobicContact CD2-CB 3.74Å; L1536-F1566 HydrophobicContact CD1-CE2 4.41Å; L1536-F1566 HydrophobicContact CD2-CD2 4.33Å; L1536-F1566 HydrophobicContact CD2-CE2 3.97Å
1537I93.8Very high90.6Very high1 Ų118.7 Ų18.71%0.0059%0.089CC..Hα-helixtrans-60.9-41.9176-61.8-61.6000111.4Q1345 W1395 R1396 V1533 R1534 S1541Q1345-I1537 HydrophobicContact CG-CG2 4.46Å; W1395-I1537 HydrophobicContact CZ2-CD1 4.25Å; R1396-I1537 HydrophobicContact CB-CD1 4.44Å; R1396-I1537 HydrophobicContact CG-CD1 3.44Å; R1396-I1537 VanDerWaalsContact CG-CD1 3.44Å; R1396-I1537 HydrophobicContact CG-CG1 3.91Å; V1533-I1537 HydrophobicContact CG1-CD1 4.34Å; V1533-I1537 HydrophobicContact CG1-CG1 3.99Å; V1533-I1537 WeakPolarHBondContact O-CG1 3.35Å; V1533-I1537 PolarHBondContact O-N 3.15Å; R1534-I1537 PolarHBondContact O-N 2.84Å; I1537-S1541 WeakPolarHBondContact O-CB 3.44Å; I1537-S1541 PolarHBondContact O-N 2.86Å; I1537-S1541 VanDerWaalsContact O-N 3.08Å; I1537-S1541 PolarHBondContact O-OG 3.45Å
1538V93.9Very high91.6Very high0 Ų018.2 Ų18.20%09%0.086CC..Hα-helixtrans-59.2-51.3172.4175.10000109.9Q1345 L1346 V1506 Q1510 R1534 R1535 L1536 L1540 S1541 R1542Q1345-V1538 HydrophobicContact CB-CG2 4.1Å; Q1345-V1538 HydrophobicContact CG-CG2 4.02Å; L1346-V1538 HydrophobicContact CD1-CG1 4.47Å; L1346-V1538 HydrophobicContact CD1-CG2 4.12Å; L1346-V1538 HydrophobicContact CG-CG2 3.96Å; V1506-V1538 HydrophobicContact CG1-CB 4.02Å; V1506-V1538 HydrophobicContact CG1-CG1 3.68Å; Q1510-V1538 HydrophobicContact CB-CG1 4.42Å; R1534-V1538 WeakPolarHBondContact O-CG2 3.29Å; R1534-V1538 PolarHBondContact O-N 3.47Å; R1535-V1538 PolarHBondContact O-N 2.74Å; L1536-V1538 VanDerWaalsContact C-N 3.33Å; L1536-V1538 PolarHBondContact O-N 3.16Å; V1538-L1540 PolarHBondContact O-N 3.4Å; V1538-S1541 PolarHBondContact O-N 3.49Å; V1538-S1541 PolarHBondContact O-OG 3.43Å; V1538-R1542 VanDerWaalsContact O-CG 3.23Å; V1538-R1542 WeakPolarHBondContact O-CG 3.46Å; V1538-R1542 PolarHBondContact O-N 3.1Å; V1538-R1542 PolarHBondContact O-NE 2.94Å
1539A94.8Very high92.5Very high2 Ų217.2 Ų17.22%0.0178%0.075CC..Hα-helixtrans-56.2-47.518000000113.1V1506 R1535 L1536 S1541V1506-A1539 HydrophobicContact CG1-CB 3.88Å; V1506-A1539 HydrophobicContact CG2-CB 3.89Å; R1535-A1539 PolarHBondContact O-N 3.25Å; L1536-A1539 WeakPolarHBondContact O-CB 3.35Å; L1536-A1539 PolarHBondContact O-N 2.97Å; L1536-A1539 VanDerWaalsContact O-N 3.13Å; A1539-S1541 VanDerWaalsContact C-N 3.26Å; A1539-S1541 PolarHBondContact O-N 3.3Å
1540L95.9Very high93.4Very high2 Ų214.5 Ų14.51%0.016%0.062CC..Hα-helixtrans-69-23.8-178.4-64.9175.3000113.1L1392 Y1393 L1536 V1538 L1547 I1549 A1565 L1569L1392-L1540 HydrophobicContact CB-CB 4.47Å; L1392-L1540 HydrophobicContact CB-CD1 4.18Å; L1392-L1540 HydrophobicContact CD1-CD2 4.27Å; Y1393-L1540 HydrophobicContact CD1-CB 4.33Å; L1536-L1540 HydrophobicContact CD1-CD1 4.05Å; L1536-L1540 HydrophobicContact CD1-CD2 4.37Å; L1536-L1540 HydrophobicContact CD1-CG 3.99Å; L1536-L1540 HydrophobicContact CD2-CD1 4.36Å; L1536-L1540 HydrophobicContact CG-CD1 3.78Å; L1536-L1540 HydrophobicContact CG-CG 4.17Å; L1536-L1540 WeakPolarHBondContact O-CB 3.32Å; L1536-L1540 VanDerWaalsContact O-CG 3.26Å; L1536-L1540 WeakPolarHBondContact O-CG 3.27Å; L1536-L1540 PolarHBondContact O-N 3.48Å; V1538-L1540 PolarHBondContact O-N 3.4Å; L1540-L1547 HydrophobicContact CD2-CD2 3.87Å; L1540-I1549 HydrophobicContact CD2-CD1 3.53Å; L1540-A1565 HydrophobicContact CD1-CB 3.93Å; L1540-L1569 HydrophobicContact CD2-CD1 4.49Å
1541S95.4Very high93.9Very high0 Ų014.4 Ų14.40%06%0.061CC..THydrogen-bonded Turntrans-93.8-0.8-175.863.90000114.5R1384 I1537 V1538 A1539R1384-S1541 VanDerWaalsContact CZ-O 3.31Å; R1384-S1541 PolarHBondContact NH2-O 3.02Å; I1537-S1541 WeakPolarHBondContact O-CB 3.44Å; I1537-S1541 PolarHBondContact O-N 2.86Å; I1537-S1541 VanDerWaalsContact O-N 3.08Å; I1537-S1541 PolarHBondContact O-OG 3.45Å; V1538-S1541 PolarHBondContact O-N 3.49Å; V1538-S1541 PolarHBondContact O-OG 3.43Å; A1539-S1541 VanDerWaalsContact C-N 3.26Å; A1539-S1541 PolarHBondContact O-N 3.3Å
1542R94.6Very high94.5Very high3 Ų313.9 Ų13.91%0.0116%0.06CC..SBendtrans-79.2-23.5-177.1-59.5-53.394.7178.810.7114.3L1473 F1509 G1511 Q1512 Q1513 N1514 V1517 V1538L1473-R1542 HydrophobicContact CD1-CB 3.82Å; L1473-R1542 HydrophobicContact CD1-CG 3.62Å; F1509-R1542 HydrophobicContact CD1-CB 4.04Å; F1509-R1542 HydrophobicContact CD1-CG 3.81Å; F1509-R1542 HydrophobicContact CE1-CB 4.12Å; F1509-R1542 HydrophobicContact CE1-CG 4.38Å; F1509-R1542 WeakPolarHBondContact O-CD 3.43Å; G1511-R1542 VanDerWaalsContact N-NH1 3.16Å; Q1512-R1542 WeakPolarHBondContact O-CD 3.4Å; Q1512-R1542 PolarHBondContact O-NH1 2.73Å; Q1513-R1542 VanDerWaalsContact CA-O 3.26Å; Q1513-R1542 WeakPolarHBondContact CA-O 3.33Å; Q1513-R1542 WeakPolarHBondContact CB-O 3.43Å; N1514-R1542 PolarHBondContact N-O 3.39Å; V1517-R1542 HydrophobicContact CG2-CB 4.24Å; V1538-R1542 VanDerWaalsContact O-CG 3.23Å; V1538-R1542 WeakPolarHBondContact O-CG 3.46Å; V1538-R1542 PolarHBondContact O-N 3.1Å; V1538-R1542 PolarHBondContact O-NE 2.94Å
1543A96.9Very high94.9Very high1 Ų112.5 Ų12.51%0.0085%0.052CC..EExtended strand (participates in β ladder)trans-88142.4-179.200000112.1L1389 N1514 V1517 G1546 L1547L1389-A1543 HydrophobicContact CD2-CB 3.47Å; L1389-A1543 VanDerWaalsContact CD2-CB 3.47Å; N1514-A1543 WeakPolarHBondContact O-CA 3.26Å; V1517-A1543 HydrophobicContact CB-CB 3.94Å; V1517-A1543 HydrophobicContact CG2-CB 3.77Å; A1543-G1546 WeakPolarHBondContact CB-O 3.12Å; A1543-L1547 HydrophobicContact CB-CB 3.95Å; A1543-L1547 HydrophobicContact CB-CD1 4.18Å
1544R95.5Very high94.7Very high57 Ų5717.5 Ų17.522%0.2157%0.074CC..EExtended strand (participates in β ladder)trans-96.6-43.2172.9-61.3174.365.5-154.55.6112.7R1384 A1385 R1386 Y1412 N1514 D1515R1384-R1544 HydrophobicContact CG-CG 4.09Å; A1385-R1544 WeakPolarHBondContact CA-O 3.46Å; R1386-R1544 PolarHBondContact N-O 2.67Å; Y1412-R1544 PolarHBondContact OH-NH2 2.77Å; N1514-R1544 PolarHBondContact O-N 3.22Å; D1515-R1544 IonicContact OD1-CZ 2.9Å; D1515-R1544 IonicContact OD1-NE 2.79Å; D1515-R1544 IonicContact OD1-NH1 3.39Å; D1515-R1544 PolarHBondContact OD1-NH1 3.02Å
1545L95.1Very high94.3Very high12 Ų1216.4 Ų16.46%0.0637%0.072CC..EExtended strand (participates in β ladder)trans-120.1-35.9-169.4-56.1-178.2000113.7R1386 Q1411 Y1412 N1416 D1515 Y1516R1386-L1545 HydrophobicContact CG-CD2 4.33Å; R1386-L1545 PolarHBondContact NH1-O 3.14Å; R1386-L1545 VanDerWaalsContact NH1-O 3.14Å; Q1411-L1545 WeakPolarHBondContact O-CD2 3.39Å; Y1412-L1545 HydrophobicContact CD1-CD2 3.97Å; Y1412-L1545 HydrophobicContact CE1-CD2 4.22Å; N1416-L1545 PolarHBondContact ND2-O 3.45Å; N1416-L1545 PolarHBondContact OD1-O 3.42Å; D1515-L1545 HydrophobicContact CB-CD1 4.09Å; D1515-L1545 HydrophobicContact CB-CG 4.38Å; D1515-L1545 WeakPolarHBondContact O-CA 3.23Å; D1515-L1545 WeakPolarHBondContact O-CB 3.18Å; D1515-L1545 PolarHBondContact O-N 2.78Å; Y1516-L1545 HydrophobicContact CE1-CB 4.04Å
1546G96.4Very high94.2Very high0 Ų013.9 Ų13.90%06%0.063CC..EExtended strand (participates in β ladder)trans-145.3137-179.800000114.3N1416 D1422 D1515 Y1516 V1517 A1543N1416-G1546 WeakPolarHBondContact ND2-CA 3.46Å; D1422-G1546 WeakPolarHBondContact O-CA 3.49Å; D1515-G1546 PolarHBondContact O-N 3.16Å; D1515-G1546 VanDerWaalsContact O-N 3.07Å; Y1516-G1546 WeakPolarHBondContact CA-O 3.24Å; V1517-G1546 PolarHBondContact N-O 3.37Å; A1543-G1546 WeakPolarHBondContact CB-O 3.12Å
1547L97.7Very high93.9Very high0 Ų014 Ų140%06%0.064CC..EExtended strand (participates in β ladder)trans-135.3118-177.4-179.764.4000111.1L1389 L1392 D1422 V1423 Q1424 V1517 V1519 L1540 A1543 I1549L1389-L1547 HydrophobicContact CD2-CB 4.05Å; L1392-L1547 HydrophobicContact CD1-CD2 3.79Å; D1422-L1547 PolarHBondContact O-N 2.77Å; V1423-L1547 VanDerWaalsContact CA-O 3.31Å; V1423-L1547 WeakPolarHBondContact CA-O 3.38Å; V1423-L1547 HydrophobicContact CG2-CB 4.37Å; Q1424-L1547 PolarHBondContact N-O 2.92Å; V1517-L1547 HydrophobicContact CB-CD1 4.17Å; V1517-L1547 HydrophobicContact CG1-CD1 4.39Å; V1517-L1547 WeakPolarHBondContact O-CA 3.43Å; V1519-L1547 HydrophobicContact CG2-CD1 3.71Å; L1540-L1547 HydrophobicContact CD2-CD2 3.87Å; A1543-L1547 HydrophobicContact CB-CB 3.95Å; A1543-L1547 HydrophobicContact CB-CD1 4.18Å; L1547-I1549 HydrophobicContact CD1-CG1 4.27Å; L1547-I1549 HydrophobicContact CD2-CD1 4.1Å; L1547-I1549 HydrophobicContact CD2-CG1 4.4Å; L1547-I1549 HydrophobicContact CG-CD1 4.26Å; L1547-I1549 HydrophobicContact CG-CG1 4.02Å
1548Y98.3Very high93Very high0 Ų018.8 Ų18.80%09%0.089CC..EExtended strand (participates in β ladder)trans-123117.6179.9-55.4-83000109.6N1416 F1419 Y1421 Q1424 V1517 L1518 V1519N1416-Y1548 PolarHBondContact ND2-OH 3.18Å; N1416-Y1548 VanDerWaalsContact ND2-OH 3.1Å; F1419-Y1548 HydrophobicContact CB-CE1 4.03Å; F1419-Y1548 WeakPolarHBondContact CB-OH 3.46Å; F1419-Y1548 HydrophobicContact CD1-CD1 4.02Å; F1419-Y1548 AromaticContact CD1-CE1 3.34Å; F1419-Y1548 HydrophobicContact CD1-CE1 3.34Å; F1419-Y1548 HydrophobicContact CD1-CE2 4.28Å; F1419-Y1548 AromaticContact CD1-CZ 3.52Å; F1419-Y1548 HydrophobicContact CD2-CE2 4.41Å; F1419-Y1548 AromaticContact CD2-CZ 3.92Å; F1419-Y1548 HydrophobicContact CE1-CD1 4.17Å; F1419-Y1548 AromaticContact CE1-CE1 3.87Å; F1419-Y1548 HydrophobicContact CE1-CE1 3.87Å; F1419-Y1548 HydrophobicContact CE1-CE2 4.25Å; F1419-Y1548 AromaticContact CE1-CZ 3.93Å; F1419-Y1548 HydrophobicContact CE2-CE2 4.39Å; F1419-Y1548 AromaticContact CG-CE1 3.75Å; F1419-Y1548 HydrophobicContact CG-CE1 3.75Å; F1419-Y1548 HydrophobicContact CG-CE2 4.35Å; F1419-Y1548 AromaticContact CG-CZ 3.5Å; F1419-Y1548 VanDerWaalsContact CG-CZ 3.5Å; F1419-Y1548 WeakPolarHBondContact CG-OH 3.34Å; F1419-Y1548 HydrophobicContact CZ-CE2 4.3Å; Y1421-Y1548 WeakPolarHBondContact O-CE1 3.31Å; Y1421-Y1548 PolarHBondContact O-OH 3.16Å; Q1424-Y1548 HydrophobicContact CB-CD1 4.19Å; V1517-Y1548 PolarHBondContact O-N 3.43Å; V1517-Y1548 VanDerWaalsContact O-N 3.08Å; L1518-Y1548 CarbonylContact C-O 3.52Å; L1518-Y1548 WeakPolarHBondContact CA-O 3.42Å; L1518-Y1548 HydrophobicContact CD2-CD2 3.74Å; L1518-Y1548 HydrophobicContact CD2-CG 4.16Å; V1519-Y1548 PolarHBondContact N-O 2.94Å
1549I98.2Very high92.4Very high4 Ų419 Ų192%0.0219%0.091CC..EExtended strand (participates in β ladder)trans-112.5127.5-171.6-53174.8000109.4Q1424 L1425 I1426 V1519 L1521 L1540 L1547 L1569Q1424-I1549 PolarHBondContact O-N 3Å; L1425-I1549 HydrophobicContact CD1-CB 3.84Å; L1425-I1549 HydrophobicContact CD1-CG2 3.7Å; I1426-I1549 WeakPolarHBondContact CD1-O 3.4Å; I1426-I1549 PolarHBondContact N-O 3.01Å; V1519-I1549 HydrophobicContact CB-CG1 4.29Å; V1519-I1549 HydrophobicContact CB-CG2 4.4Å; V1519-I1549 CarbonylContact O-C 3.52Å; V1519-I1549 WeakPolarHBondContact O-CA 3.48Å; L1521-I1549 HydrophobicContact CD1-CG2 3.92Å; L1521-I1549 HydrophobicContact CD2-CG2 4.03Å; L1521-I1549 HydrophobicContact CG-CG2 3.82Å; L1540-I1549 HydrophobicContact CD2-CD1 3.53Å; L1547-I1549 HydrophobicContact CD1-CG1 4.27Å; L1547-I1549 HydrophobicContact CD2-CD1 4.1Å; L1547-I1549 HydrophobicContact CD2-CG1 4.4Å; L1547-I1549 HydrophobicContact CG-CD1 4.26Å; L1547-I1549 HydrophobicContact CG-CG1 4.02Å; I1549-L1569 HydrophobicContact CD1-CD1 3.92Å; I1549-L1569 HydrophobicContact CD1-CD2 3.9Å
1550F98.3Very high91.6Very high0 Ų020.6 Ų20.60%010%0.101CC..EExtended strand (participates in β ladder)trans-108.4122.8178.5-61-101.2000108.4I1426 V1428 E1449 Y1452 V1453 V1456 V1519 L1521I1426-F1550 HydrophobicContact CB-CD1 4.07Å; I1426-F1550 HydrophobicContact CB-CE1 4.28Å; I1426-F1550 HydrophobicContact CD1-CE1 4.42Å; I1426-F1550 HydrophobicContact CD1-CE2 4.42Å; I1426-F1550 HydrophobicContact CD1-CZ 4.29Å; I1426-F1550 HydrophobicContact CG1-CE1 4.36Å; I1426-F1550 HydrophobicContact CG2-CD1 4.11Å; I1426-F1550 HydrophobicContact CG2-CE1 4.24Å; V1428-F1550 HydrophobicContact CG2-CB 3.99Å; V1428-F1550 HydrophobicContact CG2-CD1 4.08Å; E1449-F1550 HydrophobicContact CG-CB 4.32Å; Y1452-F1550 HydrophobicContact CD1-CD1 4.02Å; Y1452-F1550 HydrophobicContact CD1-CE1 4.15Å; Y1452-F1550 HydrophobicContact CD2-CD1 4.26Å; Y1452-F1550 AromaticContact CD2-CE1 3.61Å; Y1452-F1550 HydrophobicContact CD2-CE1 3.61Å; Y1452-F1550 HydrophobicContact CE2-CE1 4.03Å; Y1452-F1550 AromaticContact CG-CD1 3.83Å; Y1452-F1550 HydrophobicContact CG-CD1 3.83Å; Y1452-F1550 AromaticContact CG-CE1 3.67Å; Y1452-F1550 HydrophobicContact CG-CE1 3.67Å; V1453-F1550 HydrophobicContact CG2-CB 4.03Å; V1453-F1550 HydrophobicContact CG2-CD1 4.21Å; V1453-F1550 HydrophobicContact CG2-CD2 3.3Å; V1453-F1550 HydrophobicContact CG2-CE2 3.71Å; V1453-F1550 HydrophobicContact CG2-CG 3.58Å; V1453-F1550 HydrophobicContact CG2-CZ 4.31Å; V1456-F1550 HydrophobicContact CB-CZ 4.01Å; V1456-F1550 HydrophobicContact CG1-CZ 4.38Å; V1456-F1550 HydrophobicContact CG2-CE1 4.08Å; V1456-F1550 HydrophobicContact CG2-CZ 3.66Å; V1519-F1550 PolarHBondContact O-N 3.06Å; L1521-F1550 PolarHBondContact N-O 3.34Å
1551A96.3Very high90.9Very high0 Ų021.8 Ų21.80%011%0.107CC..EExtended strand (participates in β ladder)trans-160.3162.8-17300000113.1L1425 I1426 N1427 V1428 L1521 I1553 F1556L1425-A1551 HydrophobicContact CD1-CB 4.15Å; I1426-A1551 PolarHBondContact O-N 2.89Å; I1426-A1551 VanDerWaalsContact O-N 3.09Å; N1427-A1551 WeakPolarHBondContact CA-O 3.33Å; V1428-A1551 PolarHBondContact N-O 3.18Å; L1521-A1551 HydrophobicContact CB-CB 3.98Å; L1521-A1551 HydrophobicContact CD1-CB 3.6Å; L1521-A1551 HydrophobicContact CG-CB 3.85Å; A1551-I1553 PolarHBondContact O-N 3.33Å; A1551-F1556 HydrophobicContact CB-CD2 3.97Å; A1551-F1556 HydrophobicContact CB-CE2 4.13Å
1552R94.3Very high90.6Very high23 Ų2321.8 Ų21.89%0.08711%0.107CC..  trans-76.793159.5-179.360.562175.66.8110.3V1428 E1429 D1430 R1523 T1524 E1554 Q1555 F1556V1428-R1552 VanDerWaalsContact O-CZ 3.25Å; V1428-R1552 PolarHBondContact O-NE 3.13Å; V1428-R1552 PolarHBondContact O-NH2 3.49Å; E1429-R1552 IonicContact OE1-NH1 2.71Å; E1429-R1552 PolarHBondContact OE1-NH1 2.76Å; E1429-R1552 VanDerWaalsContact OE1-NH1 3.12Å; E1429-R1552 IonicContact OE2-CZ 2.73Å; E1429-R1552 IonicContact OE2-NH1 3.71Å; E1429-R1552 PolarHBondContact OE2-NH1 3.35Å; E1429-R1552 IonicContact OE2-NH2 3.43Å; D1430-R1552 VanDerWaalsContact CG-NH2 3.27Å; D1430-R1552 IonicContact OD1-CZ 3.56Å; D1430-R1552 IonicContact OD1-NH2 2.94Å; D1430-R1552 PolarHBondContact OD1-NH2 2.61Å; R1523-R1552 WeakPolarHBondContact O-CB 3.33Å; T1524-R1552 HydrophobicContact CG2-CB 4.11Å; R1552-E1554 VanDerWaalsContact C-N 3.32Å; R1552-E1554 PolarHBondContact O-N 3.34Å; R1552-Q1555 HydrophobicContact CB-CB 4.08Å; R1552-Q1555 HydrophobicContact CG-CB 3.69Å; R1552-Q1555 WeakPolarHBondContact O-CB 3.3Å; R1552-Q1555 PolarHBondContact O-N 2.93Å; R1552-F1556 VanDerWaalsContact O-CD2 3.3Å; R1552-F1556 WeakPolarHBondContact O-CD2 3.32Å; R1552-F1556 PolarHBondContact O-N 3.06Å
1553I92.6Very high90.2Very high15 Ų1526 Ų268%0.07713%0.125CC..Hα-helixtrans-59.1-42.4-170.1-62.7-175.4000112.2L1425 N1427 A1551 Q1555 F1556 A1557 L1570 T1583L1425-I1553 HydrophobicContact CD1-CG1 4.44Å; L1425-I1553 HydrophobicContact CD2-CD1 3.8Å; L1425-I1553 HydrophobicContact CD2-CG1 3.85Å; L1425-I1553 HydrophobicContact CD2-CG2 4.21Å; L1425-I1553 HydrophobicContact CG-CD1 3.71Å; L1425-I1553 HydrophobicContact CG-CG1 3.89Å; N1427-I1553 HydrophobicContact CB-CD1 3.63Å; N1427-I1553 HydrophobicContact CB-CG1 3.87Å; N1427-I1553 PolarHBondContact OD1-N 2.88Å; N1427-I1553 VanDerWaalsContact OD1-N 3.14Å; A1551-I1553 PolarHBondContact O-N 3.33Å; I1553-Q1555 PolarHBondContact O-N 2.68Å; I1553-F1556 PolarHBondContact O-N 3.42Å; I1553-A1557 HydrophobicContact CG2-CB 3.98Å; I1553-A1557 WeakPolarHBondContact O-CB 3.45Å; I1553-A1557 PolarHBondContact O-N 3.29Å; I1553-L1570 HydrophobicContact CG2-CD1 4.34Å; I1553-T1583 HydrophobicContact CD1-CG2 3.33Å
1554E84.8Confident89.9Confident122 Ų12228.3 Ų28.357%0.5714%0.14SC*.Hα-helixtrans-55.4-35.7178.9-173.4177.9-17800112.4R1552 N1558R1552-E1554 VanDerWaalsContact C-N 3.32Å; R1552-E1554 PolarHBondContact O-N 3.34Å; E1554-N1558 PolarHBondContact O-ND2 3.21Å
1555Q82.8Confident89.7Confident48 Ų4825.6 Ų25.622%0.22413%0.129CC..Hα-helixtrans-73.2-41.7-178.4-176.154.941.800112.3R1525 V1527 R1552 I1553R1525-Q1555 PolarHBondContact O-OE1 3.14Å; V1527-Q1555 HydrophobicContact CG2-CG 4.44Å; R1552-Q1555 HydrophobicContact CB-CB 4.08Å; R1552-Q1555 HydrophobicContact CG-CB 3.69Å; R1552-Q1555 WeakPolarHBondContact O-CB 3.3Å; R1552-Q1555 PolarHBondContact O-N 2.93Å; I1553-Q1555 PolarHBondContact O-N 2.68Å
1556F89.6Confident89.6Confident0 Ų025 Ų250%013%0.127CC..Hα-helixtrans-90.3-37.2-174.2-66.1-81.7000113.5L1521 R1523 V1527 L1530 A1551 R1552 I1553 N1558 C1559 L1562 F1566L1521-F1556 HydrophobicContact CB-CD2 4.49Å; L1521-F1556 HydrophobicContact CB-CE1 4.3Å; L1521-F1556 HydrophobicContact CB-CE2 3.71Å; L1521-F1556 HydrophobicContact CB-CZ 3.59Å; L1521-F1556 HydrophobicContact CD1-CD1 4.26Å; L1521-F1556 HydrophobicContact CD1-CD2 4.05Å; L1521-F1556 HydrophobicContact CD1-CE1 4.28Å; L1521-F1556 HydrophobicContact CD1-CE2 4.08Å; L1521-F1556 HydrophobicContact CD1-CG 4.16Å; L1521-F1556 HydrophobicContact CD1-CZ 4.19Å; R1523-F1556 HydrophobicContact CB-CZ 3.93Å; R1523-F1556 VanDerWaalsContact O-CE2 3.3Å; R1523-F1556 WeakPolarHBondContact O-CE2 3.43Å; V1527-F1556 HydrophobicContact CG1-CD1 3.94Å; V1527-F1556 HydrophobicContact CG1-CE1 4.03Å; L1530-F1556 HydrophobicContact CB-CE1 4.24Å; L1530-F1556 HydrophobicContact CD1-CD1 4.26Å; L1530-F1556 HydrophobicContact CD1-CE1 3.56Å; L1530-F1556 HydrophobicContact CD1-CZ 4.17Å; A1551-F1556 HydrophobicContact CB-CD2 3.97Å; A1551-F1556 HydrophobicContact CB-CE2 4.13Å; R1552-F1556 VanDerWaalsContact O-CD2 3.3Å; R1552-F1556 WeakPolarHBondContact O-CD2 3.32Å; R1552-F1556 PolarHBondContact O-N 3.06Å; I1553-F1556 PolarHBondContact O-N 3.42Å; F1556-N1558 PolarHBondContact O-N 3.48Å; F1556-C1559 VanDerWaalsContact O-CB 3.29Å; F1556-C1559 WeakPolarHBondContact O-CB 3.26Å; F1556-C1559 PolarHBondContact O-N 2.92Å; F1556-C1559 VanDerWaalsContact O-N 3.15Å; F1556-L1562 HydrophobicContact CD1-CD1 3.88Å; F1556-F1566 HydrophobicContact CB-CD1 4.1Å; F1556-F1566 HydrophobicContact CB-CD2 4.39Å; F1556-F1566 HydrophobicContact CB-CE1 3.42Å; F1556-F1566 VanDerWaalsContact CB-CE1 3.42Å; F1556-F1566 HydrophobicContact CB-CE2 3.76Å; F1556-F1566 HydrophobicContact CB-CZ 3.23Å; F1556-F1566 HydrophobicContact CD1-CZ 4.36Å; F1556-F1566 HydrophobicContact CG-CE1 4.32Å; F1556-F1566 AromaticContact CG-CZ 3.87Å; F1556-F1566 HydrophobicContact CG-CZ 3.87Å
1557A86.3Confident89.3Confident4 Ų426.1 Ų26.13%0.03313%0.132CC..Hα-helixtrans-69.5-20.3-177.500000113.4I1553 F1566 L1570I1553-A1557 HydrophobicContact CG2-CB 3.98Å; I1553-A1557 WeakPolarHBondContact O-CB 3.45Å; I1553-A1557 PolarHBondContact O-N 3.29Å; A1557-F1566 HydrophobicContact CB-CB 4.18Å; A1557-F1566 HydrophobicContact CB-CD1 4.18Å; A1557-F1566 HydrophobicContact CB-CG 4.44Å; A1557-L1570 HydrophobicContact CB-CD1 4.27Å
1558N76.6Confident89Confident101 Ų10127.6 Ų27.654%0.5414%0.14SC..THydrogen-bonded Turntrans-88.3-10.5175.9-69.7-28.4000113.1E1554 F1556 P1560E1554-N1558 PolarHBondContact O-ND2 3.21Å; F1556-N1558 PolarHBondContact O-N 3.48Å; N1558-P1560 WeakPolarHBondContact O-CD 3.37Å
1559C80.4Confident88.7Confident5 Ų527.7 Ų27.73%0.03414%0.141CC..  trans-71.6118.1177.5-166.20000109.9V1527 F1556 E1561 L1562 K1563V1527-C1559 HydrophobicContact CG2-CB 3.85Å; F1556-C1559 VanDerWaalsContact O-CB 3.29Å; F1556-C1559 WeakPolarHBondContact O-CB 3.26Å; F1556-C1559 PolarHBondContact O-N 2.92Å; F1556-C1559 VanDerWaalsContact O-N 3.15Å; C1559-E1561 VanDerWaalsContact C-N 3.25Å; C1559-E1561 PolarHBondContact O-N 2.86Å; C1559-E1561 PolarHBondContact SG-OE2 3.34Å; C1559-L1562 HydrophobicContact CB-CB 4.12Å; C1559-L1562 HydrophobicContact CB-CD1 4.11Å; C1559-L1562 HydrophobicContact CB-CG 3.98Å; C1559-L1562 PolarHBondContact O-N 2.78Å; C1559-L1562 VanDerWaalsContact O-N 3.12Å; C1559-K1563 WeakPolarHBondContact O-CB 3.31Å; C1559-K1563 PolarHBondContact O-N 2.89Å
1560P77.4Confident88.4Confident35 Ų3527.7 Ų27.723%0.22714%0.141CC..THydrogen-bonded Turntrans-55.4-38.6-175.1-24.232.1000113.9Q76 N1558 K1563Q76-P1560 HydrophobicContact CG-CB 4.29Å; Q76-P1560 HydrophobicContact CG-CG 3.52Å; N1558-P1560 WeakPolarHBondContact O-CD 3.37Å; P1560-K1563 WeakPolarHBondContact O-CB 3.18Å
1561E81.7Confident87.7Confident27 Ų2729.4 Ų29.413%0.12615%0.15CC..THydrogen-bonded Turntrans-72.1-32.6-177.4-57.288160.400112.7V111 R1531 V1533 C1559V111-E1561 HydrophobicContact CG1-CG 4.26Å; V111-E1561 WeakPolarHBondContact CG1-OE1 3.06Å; R1531-E1561 IonicContact CZ-OE1 2.86Å; R1531-E1561 VanDerWaalsContact CZ-OE1 3.27Å; R1531-E1561 IonicContact NE-OE1 2.65Å; R1531-E1561 PolarHBondContact NE-OE1 2.78Å; R1531-E1561 IonicContact NE-OE2 3.84Å; R1531-E1561 IonicContact NH2-OE1 3.59Å; R1531-E1561 PolarHBondContact NH2-OE1 3.31Å; V1533-E1561 HydrophobicContact CG2-CB 3.63Å; V1533-E1561 VanDerWaalsContact CG2-O 3.24Å; V1533-E1561 WeakPolarHBondContact CG2-O 3.38Å; C1559-E1561 VanDerWaalsContact C-N 3.25Å; C1559-E1561 PolarHBondContact O-N 2.86Å; C1559-E1561 PolarHBondContact SG-OE2 3.34Å
1562L89.4Confident86.7Confident1 Ų134.9 Ų34.91%0.00517%0.17CC..THydrogen-bonded Turntrans-92.5-17.7179.9-47.2-176.9000112.2V1527 L1530 V1533 L1536 F1556 C1559 P1564 A1565 F1566V1527-L1562 HydrophobicContact CG1-CD1 3.49Å; V1527-L1562 VanDerWaalsContact CG1-CD1 3.49Å; L1530-L1562 WeakPolarHBondContact O-CD2 3.4Å; V1533-L1562 HydrophobicContact CG2-CD2 4.1Å; L1536-L1562 HydrophobicContact CB-CD2 4.34Å; L1536-L1562 HydrophobicContact CD2-CB 4.05Å; L1536-L1562 HydrophobicContact CD2-CD2 3.72Å; L1536-L1562 HydrophobicContact CD2-CG 4.32Å; F1556-L1562 HydrophobicContact CD1-CD1 3.88Å; C1559-L1562 HydrophobicContact CB-CB 4.12Å; C1559-L1562 HydrophobicContact CB-CD1 4.11Å; C1559-L1562 HydrophobicContact CB-CG 3.98Å; C1559-L1562 PolarHBondContact O-N 2.78Å; C1559-L1562 VanDerWaalsContact O-N 3.12Å; L1562-P1564 VanDerWaalsContact C-CD 3.42Å; L1562-P1564 VanDerWaalsContact C-N 3.33Å; L1562-A1565 PolarHBondContact O-N 3.26Å; L1562-F1566 HydrophobicContact CB-CD2 3.75Å; L1562-F1566 HydrophobicContact CB-CE2 3.96Å; L1562-F1566 HydrophobicContact CD1-CE2 4.28Å; L1562-F1566 WeakPolarHBondContact O-CD2 3.4Å; L1562-F1566 PolarHBondContact O-N 3.47Å
1563K86.6Confident85.3Confident92 Ų9237.6 Ų37.640%0.419%0.19SC..Hα-helixtrans-47.4-45.3-178.1-179171.9-178.61690113.5C1559 P1560 A1565 F1566 D1567C1559-K1563 WeakPolarHBondContact O-CB 3.31Å; C1559-K1563 PolarHBondContact O-N 2.89Å; P1560-K1563 WeakPolarHBondContact O-CB 3.18Å; K1563-A1565 VanDerWaalsContact C-N 3.31Å; K1563-A1565 PolarHBondContact O-N 2.84Å; K1563-F1566 PolarHBondContact O-N 2.64Å; K1563-D1567 WeakPolarHBondContact CE-OD2 3.23Å; K1563-D1567 WeakPolarHBondContact CG-OD2 3.39Å; K1563-D1567 VanDerWaalsContact O-CB 3.25Å; K1563-D1567 WeakPolarHBondContact O-CB 3.31Å; K1563-D1567 VanDerWaalsContact O-CG 3.3Å; K1563-D1567 PolarHBondContact O-N 3.2Å
1564P89.3Confident83.6Confident48 Ų4838 Ų3831%0.31219%0.194SC..Hα-helixtrans-58.1-40.8178.9-2535.2000113.4W1395 L1562 L1568W1395-P1564 HydrophobicContact CD2-CB 3.78Å; W1395-P1564 HydrophobicContact CE3-CB 3.72Å; W1395-P1564 HydrophobicContact CE3-CG 4.22Å; W1395-P1564 HydrophobicContact CH2-CB 3.71Å; W1395-P1564 HydrophobicContact CH2-CG 3.83Å; W1395-P1564 HydrophobicContact CZ2-CB 3.83Å; W1395-P1564 HydrophobicContact CZ2-CG 4.42Å; W1395-P1564 HydrophobicContact CZ3-CB 3.66Å; W1395-P1564 HydrophobicContact CZ3-CG 3.72Å; L1562-P1564 VanDerWaalsContact C-CD 3.42Å; L1562-P1564 VanDerWaalsContact C-N 3.33Å; P1564-L1568 WeakPolarHBondContact O-CD1 3.46Å; P1564-L1568 VanDerWaalsContact O-CG 3.27Å; P1564-L1568 WeakPolarHBondContact O-CG 3.37Å; P1564-L1568 PolarHBondContact O-N 2.65Å
1565A91.7Very high82.2Confident0 Ų039.2 Ų39.20%020%0.2CC..Hα-helixtrans-73.7-41.3177.200000112.2W1395 L1536 L1540 L1562 K1563 L1568 L1569W1395-A1565 HydrophobicContact CZ2-CB 4.15Å; L1536-A1565 HydrophobicContact CD2-CB 3.74Å; L1540-A1565 HydrophobicContact CD1-CB 3.93Å; L1562-A1565 PolarHBondContact O-N 3.26Å; K1563-A1565 VanDerWaalsContact C-N 3.31Å; K1563-A1565 PolarHBondContact O-N 2.84Å; A1565-L1568 WeakPolarHBondContact O-CB 3.38Å; A1565-L1568 PolarHBondContact O-N 2.77Å; A1565-L1569 WeakPolarHBondContact O-CG 3.45Å; A1565-L1569 PolarHBondContact O-N 2.8Å
1566F93.1Very high80.7Confident1 Ų145.9 Ų45.90%0.00423%0.231CC..Hα-helixtrans-71-34.4179.8-84.5-97.5000113.1L1425 L1521 L1536 F1556 A1557 L1562 K1563 L1568 L1569 L1570L1425-F1566 HydrophobicContact CD1-CE1 4.05Å; L1425-F1566 HydrophobicContact CD2-CD1 3.58Å; L1425-F1566 HydrophobicContact CD2-CE1 3.71Å; L1521-F1566 HydrophobicContact CD1-CZ 3.83Å; L1536-F1566 HydrophobicContact CD1-CE2 4.41Å; L1536-F1566 HydrophobicContact CD2-CD2 4.33Å; L1536-F1566 HydrophobicContact CD2-CE2 3.97Å; F1556-F1566 HydrophobicContact CB-CD1 4.1Å; F1556-F1566 HydrophobicContact CB-CD2 4.39Å; F1556-F1566 HydrophobicContact CB-CE1 3.42Å; F1556-F1566 VanDerWaalsContact CB-CE1 3.42Å; F1556-F1566 HydrophobicContact CB-CE2 3.76Å; F1556-F1566 HydrophobicContact CB-CZ 3.23Å; F1556-F1566 HydrophobicContact CD1-CZ 4.36Å; F1556-F1566 HydrophobicContact CG-CE1 4.32Å; F1556-F1566 AromaticContact CG-CZ 3.87Å; F1556-F1566 HydrophobicContact CG-CZ 3.87Å; A1557-F1566 HydrophobicContact CB-CB 4.18Å; A1557-F1566 HydrophobicContact CB-CD1 4.18Å; A1557-F1566 HydrophobicContact CB-CG 4.44Å; L1562-F1566 HydrophobicContact CB-CD2 3.75Å; L1562-F1566 HydrophobicContact CB-CE2 3.96Å; L1562-F1566 HydrophobicContact CD1-CE2 4.28Å; L1562-F1566 WeakPolarHBondContact O-CD2 3.4Å; L1562-F1566 PolarHBondContact O-N 3.47Å; K1563-F1566 PolarHBondContact O-N 2.64Å; F1566-L1568 VanDerWaalsContact C-N 3.29Å; F1566-L1568 PolarHBondContact O-N 3.39Å; F1566-L1569 HydrophobicContact CD1-CD1 4.35Å; F1566-L1569 HydrophobicContact CE1-CD1 4.45Å; F1566-L1569 HydrophobicContact CG-CD1 4.43Å; F1566-L1569 PolarHBondContact O-N 3.28Å; F1566-L1570 WeakPolarHBondContact O-CB 3.2Å; F1566-L1570 VanDerWaalsContact O-CG 3.31Å; F1566-L1570 WeakPolarHBondContact O-CG 3.47Å; F1566-L1570 PolarHBondContact O-N 3.33Å
1567D90.5Very high78.9Confident22 Ų2248.5 Ų48.512%0.11825%0.249CC..Hα-helixtrans-65.5-35173.1-75.3-16.1000110.9K1563 N1571 R1572 T1573K1563-D1567 WeakPolarHBondContact CE-OD2 3.23Å; K1563-D1567 WeakPolarHBondContact CG-OD2 3.39Å; K1563-D1567 VanDerWaalsContact O-CB 3.25Å; K1563-D1567 WeakPolarHBondContact O-CB 3.31Å; K1563-D1567 VanDerWaalsContact O-CG 3.3Å; K1563-D1567 PolarHBondContact O-N 3.2Å; D1567-N1571 WeakPolarHBondContact O-CA 3.35Å; D1567-N1571 PolarHBondContact O-N 3.25Å; D1567-R1572 HydrophobicContact CB-CB 4.12Å; D1567-R1572 PolarHBondContact O-N 3.02Å; D1567-R1572 WeakPolarHBondContact OD1-CD 3.45Å; D1567-R1572 IonicContact OD1-CZ 3.2Å; D1567-R1572 IonicContact OD1-NE 2.96Å; D1567-R1572 IonicContact OD1-NH1 3.8Å; D1567-R1572 PolarHBondContact OD1-NH1 2.85Å; D1567-T1573 HydrophobicContact CB-CG2 4.22Å
1568L91.2Very high77.3Confident31 Ų3160 Ų6016%0.16229%0.292CS..Hα-helixtrans-69.4-42.4170.9-71.1167.4000112.4R1391 L1392 W1395 P1564 A1565 F1566 L1570 N1571R1391-L1568 HydrophobicContact CG-CD2 4.33Å; R1391-L1568 WeakPolarHBondContact O-CD1 3.35Å; L1392-L1568 HydrophobicContact CD2-CB 4.28Å; W1395-L1568 HydrophobicContact CG-CD1 4.4Å; P1564-L1568 WeakPolarHBondContact O-CD1 3.46Å; P1564-L1568 VanDerWaalsContact O-CG 3.27Å; P1564-L1568 WeakPolarHBondContact O-CG 3.37Å; P1564-L1568 PolarHBondContact O-N 2.65Å; A1565-L1568 WeakPolarHBondContact O-CB 3.38Å; A1565-L1568 PolarHBondContact O-N 2.77Å; F1566-L1568 VanDerWaalsContact C-N 3.29Å; F1566-L1568 PolarHBondContact O-N 3.39Å; L1568-L1570 VanDerWaalsContact C-N 3.27Å; L1568-L1570 PolarHBondContact O-N 3.15Å; L1568-N1571 PolarHBondContact O-N 3.14Å
1569L92.6Very high76.9Confident3 Ų363.2 Ų63.22%0.01630%0.303CS..Hα-helixtrans-60-37.1175-74.8168.2000112.3L1392 V1423 L1425 L1540 I1549 A1565 F1566L1392-L1569 HydrophobicContact CD1-CD2 4.07Å; L1392-L1569 HydrophobicContact CD2-CD2 3.77Å; L1392-L1569 HydrophobicContact CD2-CG 4.11Å; V1423-L1569 HydrophobicContact CG1-CD2 3.71Å; L1425-L1569 HydrophobicContact CB-CB 4.25Å; L1425-L1569 HydrophobicContact CD2-CB 4.27Å; L1425-L1569 HydrophobicContact CD2-CD1 4.4Å; L1540-L1569 HydrophobicContact CD2-CD1 4.49Å; I1549-L1569 HydrophobicContact CD1-CD1 3.92Å; I1549-L1569 HydrophobicContact CD1-CD2 3.9Å; A1565-L1569 WeakPolarHBondContact O-CG 3.45Å; A1565-L1569 PolarHBondContact O-N 2.8Å; F1566-L1569 HydrophobicContact CD1-CD1 4.35Å; F1566-L1569 HydrophobicContact CE1-CD1 4.45Å; F1566-L1569 HydrophobicContact CG-CD1 4.43Å; F1566-L1569 PolarHBondContact O-N 3.28Å
1570L91.2Very high76.7Confident4 Ų468.2 Ų68.22%0.02133%0.327CS..Hα-helixtrans-87.5-7.7178.5-66.4171.1000113.6L1425 I1553 A1557 F1566 L1568 R1572 M1580 K1581 T1583L1425-L1570 HydrophobicContact CD2-CD2 4.21Å; L1425-L1570 HydrophobicContact CD2-CG 4.37Å; I1553-L1570 HydrophobicContact CG2-CD1 4.34Å; A1557-L1570 HydrophobicContact CB-CD1 4.27Å; F1566-L1570 WeakPolarHBondContact O-CB 3.2Å; F1566-L1570 VanDerWaalsContact O-CG 3.31Å; F1566-L1570 WeakPolarHBondContact O-CG 3.47Å; F1566-L1570 PolarHBondContact O-N 3.33Å; L1568-L1570 VanDerWaalsContact C-N 3.27Å; L1568-L1570 PolarHBondContact O-N 3.15Å; L1570-R1572 HydrophobicContact CB-CG 4.12Å; L1570-M1580 HydrophobicContact CB-CG 4.32Å; L1570-M1580 WeakPolarHBondContact O-CG 3.36Å; L1570-K1581 PolarHBondContact O-N 3.11Å; L1570-T1583 HydrophobicContact CD2-CG2 3.85Å
1571N84.3Confident77.1Confident36 Ų3668.7 Ų68.719%0.19333%0.326CS..THydrogen-bonded Turntrans61.339-175.7-15425.3000114.4D1567 L1568 T1573 S1574 S1577 K1581D1567-N1571 WeakPolarHBondContact O-CA 3.35Å; D1567-N1571 PolarHBondContact O-N 3.25Å; L1568-N1571 PolarHBondContact O-N 3.14Å; N1571-T1573 VanDerWaalsContact C-N 3.34Å; N1571-S1574 WeakPolarHBondContact OD1-CB 3.38Å; N1571-S1577 WeakPolarHBondContact ND2-CB 3.42Å; N1571-K1581 HydrophobicContact CB-CG 4.11Å
1572R75.3Confident77.4Confident114 Ų11469 Ų6943%0.4333%0.33SS..  trans-77.4-15.6179.3-73.8172.1172.9180-0.1114.3D1567 L1570D1567-R1572 HydrophobicContact CB-CB 4.12Å; D1567-R1572 PolarHBondContact O-N 3.02Å; D1567-R1572 WeakPolarHBondContact OD1-CD 3.45Å; D1567-R1572 IonicContact OD1-CZ 3.2Å; D1567-R1572 IonicContact OD1-NE 2.96Å; D1567-R1572 IonicContact OD1-NH1 3.8Å; D1567-R1572 PolarHBondContact OD1-NH1 2.85Å; L1570-R1572 HydrophobicContact CB-CG 4.12Å
1573T63.2Low77.6Confident80 Ų8071 Ų7149%0.49134%0.342SS..SBendtrans-103.7-8.5-172.752.90000114.6D1567 N1571D1567-T1573 HydrophobicContact CB-CG2 4.22Å; N1571-T1573 VanDerWaalsContact C-N 3.34Å
1574S58.6Low78Confident24 Ų2470.2 Ų70.217%0.16834%0.341CS..  trans-85.9118.5-178.5-178.80000111.2N1571 E1576 S1577N1571-S1574 WeakPolarHBondContact OD1-CB 3.38Å; S1574-E1576 VanDerWaalsContact C-N 3.28Å; S1574-E1576 PolarHBondContact O-N 3.18Å; S1574-S1577 PolarHBondContact OG-N 2.98Å
1575E53.8Low78.3Confident148 Ų14868 Ų6869%0.69233%0.326SS*.SBendtrans-66.4-30.9172.2-66.5-169.1160.200112.2N32N32-E1575 PolarHBondContact ND2-OE1 3.47Å
1576E52.7Low78.4Confident187 Ų18769 Ų6987%0.87433%0.331SS*.SBendtrans-74.7-28.8-174.2-65.4178.9166.100113.1S1574S1574-E1576 VanDerWaalsContact C-N 3.28Å; S1574-E1576 PolarHBondContact O-N 3.18Å
1577S51.9Low78.5Confident55 Ų5569 Ų6939%0.38533%0.33SS..  trans-112.986.3179.5-64.20000110N1571 S1574 Q1579N1571-S1577 WeakPolarHBondContact ND2-CB 3.42Å; S1574-S1577 PolarHBondContact OG-N 2.98Å; S1577-Q1579 PolarHBondContact O-N 2.89Å
1578R52Low78.5Confident247 Ų24768.1 Ų68.193%0.93233%0.326SS*.  trans-59.2-9.4176.2-75.2-175.9178.8178.30.6114.7
1579Q68.2Low78.3Confident167 Ų16767.8 Ų67.878%0.7833%0.326SS*.SBendtrans-102.1121-178.1-69.1179.4-2.600111.1S1577S1577-Q1579 PolarHBondContact O-N 2.89Å
1580M76.1Confident78Confident110 Ų11071.8 Ų71.854%0.54234%0.341SS..PPolyproline II helixtrans-58.9139.4171.1-165.2174.574.300109.7L1570L1570-M1580 HydrophobicContact CB-CG 4.32Å; L1570-M1580 WeakPolarHBondContact O-CG 3.36Å
1581K85.3Confident77.6Confident45 Ų4573.5 Ų73.520%0.19635%0.348CS..PPolyproline II helixtrans-62.5136.1173.9-83.7-176.4173.6-172.10109.7V1423 L1570 N1571V1423-K1581 PolarHBondContact O-NZ 2.68Å; L1570-K1581 PolarHBondContact O-N 3.11Å; N1571-K1581 HydrophobicContact CB-CG 4.11Å
1582P89.1Confident77.6Confident33 Ų3375.5 Ų75.521%0.21436%0.362CS..PPolyproline II helixtrans-68.2141.8179.728-33.3000110.9Y1421 Q1424 H1586Y1421-P1582 HydrophobicContact CE2-CG 3.6Å; Y1421-P1582 WeakPolarHBondContact OH-CD 3.43Å; Q1424-P1582 PolarHBondContact NE2-O 3.33Å; P1582-H1586 WeakPolarHBondContact CB-NE2 3.35Å; P1582-H1586 VanDerWaalsContact CG-CE1 3.42Å; P1582-H1586 WeakPolarHBondContact CG-CE1 3.27Å; P1582-H1586 WeakPolarHBondContact CG-NE2 3.37Å
1583T93.8Very high78.1Confident43 Ų4372.1 Ų72.126%0.26435%0.349SS..SBendtrans-91.4-7.2179.557.10000113.2I1426 N1427 I1553 L1570I1426-T1583 WeakPolarHBondContact CA-O 3.45Å; N1427-T1583 PolarHBondContact N-O 3.16Å; I1553-T1583 HydrophobicContact CD1-CG2 3.33Å; L1570-T1583 HydrophobicContact CD2-CG2 3.85Å
1584E94.5Very high78.9Confident77 Ų7771 Ų7136%0.3634%0.339SS..SBendtrans-85.8144.3168.3-64179.5162.300108.6Q1424 H1586 I1620Q1424-E1584 PolarHBondContact NE2-O 3.24Å; E1584-H1586 PolarHBondContact O-CD2 3.39Å; E1584-H1586 PolarHBondContact O-N 3.18Å; E1584-I1620 HydrophobicContact CB-CG2 3.73Å; E1584-I1620 HydrophobicContact CG-CG2 4.48Å; E1584-I1620 WeakPolarHBondContact OE2-CG2 3.3Å
1585L95.4Very high79.7Confident0 Ų072.7 Ų72.70%035%0.347CS..EExtended strand (participates in β ladder)trans-72.9122.7-175.617668.5000109.9F1419 I1426 Y1452 V1456 L1587 I1621 M1627F1419-L1585 HydrophobicContact CD1-CD1 4.37Å; F1419-L1585 HydrophobicContact CE1-CD1 4.35Å; I1426-L1585 HydrophobicContact CD1-CD1 4.3Å; I1426-L1585 HydrophobicContact CG1-CB 4.14Å; I1426-L1585 HydrophobicContact CG1-CD1 4.03Å; I1426-L1585 HydrophobicContact CG2-CB 4.42Å; Y1452-L1585 HydrophobicContact CE2-CD2 3.95Å; V1456-L1585 HydrophobicContact CG2-CD2 3.57Å; L1585-L1587 HydrophobicContact CD1-CD2 4Å; L1585-L1587 HydrophobicContact CD2-CD1 4.32Å; L1585-L1587 HydrophobicContact CD2-CD2 3.91Å; L1585-L1587 HydrophobicContact CD2-CG 4.28Å; L1585-L1587 HydrophobicContact CG-CD2 3.71Å; L1585-L1587 HydrophobicContact CG-CG 4.06Å; L1585-I1621 HydrophobicContact CB-CB 4.21Å; L1585-I1621 PolarHBondContact N-O 3.36Å; L1585-I1621 PolarHBondContact O-N 2.92Å; L1585-M1627 HydrophobicContact CD2-CE 4.28Å; L1585-M1627 HydrophobicContact CD2-SD 3.9Å
1586H94.4Very high80.5Confident22 Ų2267.2 Ų67.210%0.10232%0.324CS..EExtended strand (participates in β ladder)trans-105.7110.5-177-78.8-146.7000110.8R1420 Y1421 P1582 E1584 P1618R1420-H1586 HydrophobicContact CB-CB 3.84Å; R1420-H1586 PolarHBondContact N-O 3.06Å; Y1421-H1586 HydrophobicContact CD2-CB 4.27Å; Y1421-H1586 HydrophobicContact CE2-CB 4.04Å; P1582-H1586 WeakPolarHBondContact CB-NE2 3.35Å; P1582-H1586 VanDerWaalsContact CG-CE1 3.42Å; P1582-H1586 WeakPolarHBondContact CG-CE1 3.27Å; P1582-H1586 WeakPolarHBondContact CG-NE2 3.37Å; E1584-H1586 PolarHBondContact O-CD2 3.39Å; E1584-H1586 PolarHBondContact O-N 3.18Å; H1586-P1618 HydrophobicContact CB-CB 4.15Å; H1586-P1618 HydrophobicContact CB-CG 4.43Å
1587L94.1Very high81.2Confident0 Ų067.8 Ų67.80%032%0.318CS..EExtended strand (participates in β ladder)trans-106151.1-175.1-57.8-178000111.9G1418 F1419 Y1459 L1585 P1589 P1618 L1619 I1621 M1627 Y1630G1418-L1587 WeakPolarHBondContact O-CA 3.05Å; F1419-L1587 HydrophobicContact CD1-CD2 3.74Å; F1419-L1587 HydrophobicContact CE1-CD2 3.82Å; Y1459-L1587 HydrophobicContact CD1-CD2 4.31Å; Y1459-L1587 HydrophobicContact CD2-CD1 4.5Å; Y1459-L1587 HydrophobicContact CE1-CD1 4.23Å; Y1459-L1587 HydrophobicContact CE1-CD2 3.71Å; Y1459-L1587 HydrophobicContact CE1-CG 4.42Å; Y1459-L1587 HydrophobicContact CE2-CD1 4.17Å; L1585-L1587 HydrophobicContact CD1-CD2 4Å; L1585-L1587 HydrophobicContact CD2-CD1 4.32Å; L1585-L1587 HydrophobicContact CD2-CD2 3.91Å; L1585-L1587 HydrophobicContact CD2-CG 4.28Å; L1585-L1587 HydrophobicContact CG-CD2 3.71Å; L1585-L1587 HydrophobicContact CG-CG 4.06Å; L1587-P1589 HydrophobicContact CB-CG 4.17Å; L1587-P1618 CarbonylContact O-C 3.57Å; L1587-P1618 WeakPolarHBondContact O-CA 3.35Å; L1587-P1618 WeakPolarHBondContact O-CB 3.28Å; L1587-L1619 HydrophobicContact CB-CB 4.28Å; L1587-L1619 PolarHBondContact N-O 2.86Å; L1587-L1619 PolarHBondContact O-N 3.09Å; L1587-I1621 HydrophobicContact CD1-CD1 4.36Å; L1587-I1621 HydrophobicContact CD1-CG1 3.77Å; L1587-I1621 HydrophobicContact CG-CG1 4.29Å; L1587-M1627 HydrophobicContact CD1-CE 3.95Å; L1587-M1627 HydrophobicContact CD1-SD 3.98Å; L1587-Y1630 HydrophobicContact CD1-CE1 4.31Å
1588T91.4Very high82Confident4 Ų466.2 Ų66.23%0.02531%0.307CS..  trans-123.366.1172.648.90000110.4G1418 F1419 R1420 W1590 E1591G1418-T1588 WeakPolarHBondContact CA-O 3.31Å; G1418-T1588 WeakPolarHBondContact CA-OG1 3.35Å; G1418-T1588 PolarHBondContact O-N 2.9Å; F1419-T1588 PolarHBondContact N-OG1 3.34Å; F1419-T1588 VanDerWaalsContact N-OG1 3.16Å; R1420-T1588 HydrophobicContact CB-CG2 4.39Å; T1588-W1590 HydrophobicContact CG2-CH2 4.28Å; T1588-W1590 HydrophobicContact CG2-CZ2 3.8Å; T1588-W1590 PolarHBondContact O-N 2.73Å; T1588-E1591 PolarHBondContact O-N 3.3Å; T1588-E1591 PolarHBondContact OG1-OE2 2.97Å
1589P86.5Confident82.5Confident24 Ų2458.5 Ų58.516%0.15629%0.289CS..THydrogen-bonded Turntrans-62-15.5-162.3-22.234.2000116.2Y1459 L1587 E1591 L1619 Y1630Y1459-P1589 HydrophobicContact CE2-CB 4.28Å; Y1459-P1589 HydrophobicContact CE2-CG 4.48Å; Y1459-P1589 WeakPolarHBondContact OH-CA 3.24Å; L1587-P1589 HydrophobicContact CB-CG 4.17Å; P1589-E1591 PolarHBondContact O-N 3.48Å; P1589-L1619 HydrophobicContact CG-CB 4.16Å; P1589-L1619 HydrophobicContact CG-CD2 3.95Å; P1589-Y1630 WeakPolarHBondContact CB-OH 3.36Å; P1589-Y1630 HydrophobicContact CG-CE1 4.43Å; P1589-Y1630 WeakPolarHBondContact CG-OH 3.46Å
1590W85.5Confident82Confident88 Ų8854.1 Ų54.133%0.33327%0.274SS..THydrogen-bonded Turntrans-75.7-9.7175.852.884.8000113.6T1588 Q1616 P1617T1588-W1590 HydrophobicContact CG2-CH2 4.28Å; T1588-W1590 HydrophobicContact CG2-CZ2 3.8Å; T1588-W1590 PolarHBondContact O-N 2.73Å; W1590-Q1616 HydrophobicContact CH2-CB 3.9Å; W1590-Q1616 HydrophobicContact CZ2-CB 3.82Å; W1590-P1617 WeakPolarHBondContact CH2-O 3.28Å
1591E83.5Confident81.1Confident39 Ų3950 Ų5018%0.18226%0.255CS..  trans-93.7110174.6-68.5173.5167.700110.4P1417 G1418 T1588 P1589P1417-E1591 CarbonylContact C-O 3.43Å; P1417-E1591 HydrophobicContact CB-CB 4.23Å; G1418-E1591 PolarHBondContact N-O 3.04Å; T1588-E1591 PolarHBondContact O-N 3.3Å; T1588-E1591 PolarHBondContact OG1-OE2 2.97Å; P1589-E1591 PolarHBondContact O-N 3.48Å
1592V84.2Confident79.8Confident78 Ų7853.1 Ų53.147%0.47327%0.273SS..  trans-90.7151.1176.9-66.20000111.4P1417 L1463 I1594P1417-V1592 WeakPolarHBondContact CB-O 3.06Å; L1463-V1592 HydrophobicContact CD2-CG1 4.44Å; V1592-I1594 HydrophobicContact CG2-CG1 4.49Å
1593W85.9Confident78.1Confident43 Ų4360.1 Ų60.116%0.16330%0.3CS..  trans-70.3132.8176.6-172.189.3000111L1463 G1464 Y1465 P1466 K1469 D1595L1463-W1593 PolarHBondContact O-N 2.66Å; G1464-W1593 VanDerWaalsContact O-CE3 3.23Å; Y1465-W1593 AromaticContact CD1-CD1 3.49Å; Y1465-W1593 VanDerWaalsContact CD1-CD1 3.49Å; Y1465-W1593 HydrophobicContact CD1-CG 4.19Å; Y1465-W1593 AromaticContact CD1-NE1 3.91Å; Y1465-W1593 HydrophobicContact CD2-CB 3.63Å; Y1465-W1593 AromaticContact CD2-CD1 3.86Å; Y1465-W1593 AromaticContact CD2-CG 3.94Å; Y1465-W1593 HydrophobicContact CD2-CG 3.94Å; Y1465-W1593 AromaticContact CE1-CD1 3.53Å; Y1465-W1593 HydrophobicContact CE1-CG 4.48Å; Y1465-W1593 HydrophobicContact CE2-CB 3.9Å; Y1465-W1593 AromaticContact CE2-CD1 3.87Å; Y1465-W1593 HydrophobicContact CE2-CG 4.23Å; Y1465-W1593 HydrophobicContact CG-CB 4.11Å; Y1465-W1593 AromaticContact CG-CD1 3.68Å; Y1465-W1593 AromaticContact CG-CG 3.93Å; Y1465-W1593 HydrophobicContact CG-CG 3.93Å; Y1465-W1593 AromaticContact CZ-CD1 3.73Å; P1466-W1593 HydrophobicContact CG-CE3 4.29Å; P1466-W1593 HydrophobicContact CG-CH2 3.4Å; P1466-W1593 VanDerWaalsContact CG-CH2 3.4Å; P1466-W1593 HydrophobicContact CG-CZ2 3.77Å; P1466-W1593 HydrophobicContact CG-CZ3 3.69Å; K1469-W1593 HydrophobicContact CD-CZ2 4.38Å; W1593-D1595 HydrophobicContact CH2-CB 3.8Å; W1593-D1595 HydrophobicContact CZ3-CB 4.05Å
1594I79.4Confident75.9Confident56 Ų5662.2 Ų62.229%0.28731%0.307SS..  trans-130134.9176.3-55.2174.7000107.5V1592 P1596 S1598 V1601V1592-I1594 HydrophobicContact CG2-CG1 4.49Å; I1594-P1596 WeakPolarHBondContact O-CD 3.34Å; I1594-S1598 WeakPolarHBondContact CG2-OG 3.43Å; I1594-V1601 HydrophobicContact CB-CG2 4.24Å; I1594-V1601 HydrophobicContact CG2-CG2 3.53Å
1595D76Confident73.5Confident61 Ų6165.8 Ų65.833%0.32632%0.323SS..  trans-59.8122.8176.2-173.6-8.9000110.1W1593 R1597 S1598W1593-D1595 HydrophobicContact CH2-CB 3.8Å; W1593-D1595 HydrophobicContact CZ3-CB 4.05Å; D1595-R1597 PolarHBondContact O-N 3.38Å; D1595-R1597 VanDerWaalsContact O-N 3.08Å; D1595-R1597 WeakPolarHBondContact OD1-CB 3.46Å; D1595-R1597 PolarHBondContact OD1-N 2.83Å; D1595-S1598 VanDerWaalsContact O-CB 3.28Å; D1595-S1598 WeakPolarHBondContact O-CB 3.48Å; D1595-S1598 PolarHBondContact O-N 3.09Å; D1595-S1598 PolarHBondContact O-OG 3.32Å
1596P70.7Confident70.8Confident32 Ų3274.2 Ų74.221%0.20836%0.362CS..THydrogen-bonded Turntrans-55.9-22.8174.8-24.533.2000114L1414 I1594 S1598L1414-P1596 HydrophobicContact CD1-CB 4.01Å; L1414-P1596 HydrophobicContact CD1-CG 4.02Å; I1594-P1596 WeakPolarHBondContact O-CD 3.34Å; P1596-S1598 VanDerWaalsContact C-N 3.35Å
1597R67.9Low68.3Low199 Ų19979.2 Ų79.275%0.75138%0.381SS*.THydrogen-bonded Turntrans-84.4-9.2178-58.8174-178.7169.4-0.7113.1D1595D1595-R1597 PolarHBondContact O-N 3.38Å; D1595-R1597 VanDerWaalsContact O-N 3.08Å; D1595-R1597 WeakPolarHBondContact OD1-CB 3.46Å; D1595-R1597 PolarHBondContact OD1-N 2.83Å
1598S68.1Low65.9Low22 Ų2283.2 Ų83.215%0.15440%0.402CS..SBendtrans-65.9139.7179.868.70000110.8I1594 D1595 P1596 T1600 V1601 L1602I1594-S1598 WeakPolarHBondContact CG2-OG 3.43Å; D1595-S1598 VanDerWaalsContact O-CB 3.28Å; D1595-S1598 WeakPolarHBondContact O-CB 3.48Å; D1595-S1598 PolarHBondContact O-N 3.09Å; D1595-S1598 PolarHBondContact O-OG 3.32Å; P1596-S1598 VanDerWaalsContact C-N 3.35Å; S1598-T1600 PolarHBondContact O-N 3.34Å; S1598-T1600 VanDerWaalsContact O-N 3.09Å; S1598-V1601 PolarHBondContact O-N 3.01Å; S1598-V1601 WeakPolarHBondContact OG-CG2 3.32Å; S1598-L1602 PolarHBondContact O-N 3.14Å
1599P61.7Low63.3Low85 Ų8588.8 Ų88.855%0.55243%0.427SS*.Hα-helixtrans-59.9-23.7178.420.7-30.4000112.6L1602 K1603P1599-L1602 PolarHBondContact O-N 2.96Å; P1599-K1603 WeakPolarHBondContact O-CB 3.49Å; P1599-K1603 VanDerWaalsContact O-CG 3.29Å; P1599-K1603 WeakPolarHBondContact O-CG 3.02Å; P1599-K1603 PolarHBondContact O-N 3.03Å
1600T58.6Low61.2Low75 Ų7590.5 Ų90.546%0.4644%0.437SS..Hα-helixtrans-62.1-41.2174.5-37.10000112S1598 E1604S1598-T1600 PolarHBondContact O-N 3.34Å; S1598-T1600 VanDerWaalsContact O-N 3.09Å; T1600-E1604 WeakPolarHBondContact O-CB 3.13Å; T1600-E1604 PolarHBondContact O-N 3.42Å
1601V57.5Low59.2Low24 Ų2492 Ų9215%0.14545%0.452CS..Hα-helixtrans-74.8-36177.1176.60000111.2L1414 I1594 S1598 E1604L1414-V1601 HydrophobicContact CD1-CG1 4.5Å; I1594-V1601 HydrophobicContact CB-CG2 4.24Å; I1594-V1601 HydrophobicContact CG2-CG2 3.53Å; S1598-V1601 PolarHBondContact O-N 3.01Å; S1598-V1601 WeakPolarHBondContact OG-CG2 3.32Å; V1601-E1604 CarbonylContact O-C 3.51Å
1602L58.3Low57.3Low110 Ų11098.5 Ų98.558%0.57648%0.482SS*.Hα-helixtrans-71.5-33.9179-65.8171.4000113.1S1598 P1599S1598-L1602 PolarHBondContact O-N 3.14Å; P1599-L1602 PolarHBondContact O-N 2.96Å
1603K53.6Low55.7Low181 Ų18197.5 Ų97.579%0.78747%0.474SS*.Hα-helixtrans-77.5-34.9176.5-74.1179.8179.4-175.60112.6P1599 Q1605P1599-K1603 WeakPolarHBondContact O-CB 3.49Å; P1599-K1603 VanDerWaalsContact O-CG 3.29Å; P1599-K1603 WeakPolarHBondContact O-CG 3.02Å; P1599-K1603 PolarHBondContact O-N 3.03Å; K1603-Q1605 PolarHBondContact O-N 3.02Å
1604E46.2Very low54.1Low86 Ų8699 Ų9940%0.40249%0.485SS..  trans-100.267.9177.5-65.1-178.6178.700110.6T1600 V1601 H1606 R1607T1600-E1604 WeakPolarHBondContact O-CB 3.13Å; T1600-E1604 PolarHBondContact O-N 3.42Å; V1601-E1604 CarbonylContact O-C 3.51Å; E1604-H1606 PolarHBondContact O-N 3.32Å; E1604-R1607 HydrophobicContact CB-CG 4.23Å; E1604-R1607 PolarHBondContact O-N 3.01Å; E1604-R1607 WeakPolarHBondContact OE2-CD 3.43Å; E1604-R1607 WeakPolarHBondContact OE2-CG 3.45Å; E1604-R1607 IonicContact OE2-CZ 3.75Å; E1604-R1607 IonicContact OE2-NE 2.82Å; E1604-R1607 PolarHBondContact OE2-NE 3.46Å; E1604-R1607 IonicContact OE2-NH2 2.63Å; E1604-R1607 PolarHBondContact OE2-NH2 3.25Å
1605Q45.6Very low53.4Low152 Ų152104 Ų10471%0.7151%0.512SS*.G310 helixtrans-54.8-17.9167.2-68.4-174.7-11.200112.2K1603 L1608K1603-Q1605 PolarHBondContact O-N 3.02Å; Q1605-L1608 WeakPolarHBondContact O-CD1 3.17Å; Q1605-L1608 WeakPolarHBondContact O-CG 3.25Å
1606H38.7Very low53.3Low177 Ų177104.9 Ų104.982%0.81951%0.514SS*.G310 helixtrans-82.1-4.8175.5-76.2-75.1000116.1E1604 L1608E1604-H1606 PolarHBondContact O-N 3.32Å; H1606-L1608 PolarHBondContact O-N 2.92Å; H1606-L1608 VanDerWaalsContact O-N 3.12Å
1607R41.5Very low54Low128 Ų128108.6 Ų108.648%0.48354%0.538SS..G310 helixtrans-72.35.6167.4-84.2-161.3-167.5-1715.7113.9E1604 Q1609E1604-R1607 HydrophobicContact CB-CG 4.23Å; E1604-R1607 PolarHBondContact O-N 3.01Å; E1604-R1607 WeakPolarHBondContact OE2-CD 3.43Å; E1604-R1607 WeakPolarHBondContact OE2-CG 3.45Å; E1604-R1607 IonicContact OE2-CZ 3.75Å; E1604-R1607 IonicContact OE2-NE 2.82Å; E1604-R1607 PolarHBondContact OE2-NE 3.46Å; E1604-R1607 IonicContact OE2-NH2 2.63Å; E1604-R1607 PolarHBondContact OE2-NH2 3.25Å; R1607-Q1609 PolarHBondContact O-N 3.35Å
1608L42.8Very low54.9Low84 Ų84100.5 Ų100.544%0.4451%0.511SS..G310 helixtrans-56.9-16.2171.9-84.5169000114.1Q1605 H1606Q1605-L1608 WeakPolarHBondContact O-CD1 3.17Å; Q1605-L1608 WeakPolarHBondContact O-CG 3.25Å; H1606-L1608 PolarHBondContact O-N 2.92Å; H1606-L1608 VanDerWaalsContact O-N 3.12Å
1609Q38.1Very low56.1Low121 Ų121102 Ų10257%0.56552%0.517SS*.SBendtrans-149.1120.3167.3-87.9145.61400105.5R1607 D1611 L1614R1607-Q1609 PolarHBondContact O-N 3.35Å; Q1609-D1611 PolarHBondContact O-N 3.24Å; Q1609-L1614 HydrophobicContact CB-CD1 4.28Å; Q1609-L1614 HydrophobicContact CG-CD1 3.93Å
1610T40.7Very low57.7Low59 Ų59101.2 Ų101.236%0.36251%0.508SS..  trans-68.484156.447.40000106.3H1612 N1613 L1614T1610-H1612 PolarHBondContact O-N 3.26Å; T1610-N1613 PolarHBondContact O-N 3.16Å; T1610-L1614 PolarHBondContact O-N 3.35Å
1611D44.1Very low59.4Low121 Ų12197.6 Ų97.665%0.64749%0.486SS*.THydrogen-bonded Turntrans-51.1-22.2177.4-83.1-25.2000111.9Q1609Q1609-D1611 PolarHBondContact O-N 3.24Å
1612H43.9Very low61.1Low174 Ų174103.2 Ų103.281%0.80651%0.508SS*.THydrogen-bonded Turntrans-81.6-15.9179.4-76.1-51.7000116.6T1610T1610-H1612 PolarHBondContact O-N 3.26Å
1613N50.9Low62.7Low57 Ų57101.4 Ų101.431%0.30550%0.499SS..THydrogen-bonded Turntrans-136.80.8-172.8-77.8-28.8000117.2T1610 N1615 Q1616T1610-N1613 PolarHBondContact O-N 3.16Å; N1613-N1615 PolarHBondContact O-N 3.09Å; N1613-N1615 VanDerWaalsContact O-N 3.09Å; N1613-Q1616 HydrophobicContact CB-CG 4.4Å; N1613-Q1616 WeakPolarHBondContact O-CB 3.32Å; N1613-Q1616 PolarHBondContact O-N 3.04Å; N1613-Q1616 PolarHBondContact OD1-NE2 2.79Å
1614L52.6Low64.7Low76 Ų7693.4 Ų93.440%0.39847%0.465SS..THydrogen-bonded Turntrans-60-21172.7-81.6165.8000113.8R1420 Q1609 T1610 Q1616R1420-L1614 PolarHBondContact NH1-O 3.14Å; Q1609-L1614 HydrophobicContact CB-CD1 4.28Å; Q1609-L1614 HydrophobicContact CG-CD1 3.93Å; T1610-L1614 PolarHBondContact O-N 3.35Å; L1614-Q1616 VanDerWaalsContact C-N 3.34Å
1615N63.6Low67Low159 Ų15991.5 Ų91.585%0.8546%0.46SS*.THydrogen-bonded Turntrans-76.8-14.6174.2-71.9-18.9000113.7N1613N1613-N1615 PolarHBondContact O-N 3.09Å; N1613-N1615 VanDerWaalsContact O-N 3.09Å
1616Q74.3Confident69.4Low81 Ų8187.4 Ų87.438%0.37944%0.441SS..SBendtrans-69.8129.2173.9-67.4-167.7-000109.1W1590 N1613 L1614W1590-Q1616 HydrophobicContact CH2-CB 3.9Å; W1590-Q1616 HydrophobicContact CZ2-CB 3.82Å; N1613-Q1616 HydrophobicContact CB-CG 4.4Å; N1613-Q1616 WeakPolarHBondContact O-CB 3.32Å; N1613-Q1616 PolarHBondContact O-N 3.04Å; N1613-Q1616 PolarHBondContact OD1-NE2 2.79Å; L1614-Q1616 VanDerWaalsContact C-N 3.34Å
1617P84.7Confident72.1Confident109 Ų10979 Ų7971%0.70840%0.401SS*.PPolyproline II helixtrans-62.8137.9177.526.4-33.2000109.6W1590W1590-P1617 WeakPolarHBondContact CH2-O 3.28Å
1618P88.1Confident74.6Confident29 Ų2974.2 Ų74.219%0.18839%0.388CS..PPolyproline II helixtrans-61.8150177.527.5-34.3000110.6R1420 H1586 L1587 I1620R1420-P1618 HydrophobicContact CB-CB 4.47Å; H1586-P1618 HydrophobicContact CB-CB 4.15Å; H1586-P1618 HydrophobicContact CB-CG 4.43Å; L1587-P1618 CarbonylContact O-C 3.57Å; L1587-P1618 WeakPolarHBondContact O-CA 3.35Å; L1587-P1618 WeakPolarHBondContact O-CB 3.28Å; P1618-I1620 PolarHBondContact O-N 3.37Å
1619L92Very high77.2Confident53 Ų5373.9 Ų73.928%0.27739%0.386SS..EExtended strand (participates in β ladder)trans-71.3117168.2176.268.8000108.4L1587 P1589 I1621 Y1630L1587-L1619 HydrophobicContact CB-CB 4.28Å; L1587-L1619 PolarHBondContact N-O 2.86Å; L1587-L1619 PolarHBondContact O-N 3.09Å; P1589-L1619 HydrophobicContact CG-CB 4.16Å; P1589-L1619 HydrophobicContact CG-CD2 3.95Å; L1619-I1621 HydrophobicContact CD2-CD1 3.94Å; L1619-I1621 HydrophobicContact CG-CD1 4Å; L1619-Y1630 HydrophobicContact CD2-CD1 3.99Å; L1619-Y1630 HydrophobicContact CD2-CD2 3.82Å; L1619-Y1630 HydrophobicContact CD2-CE1 3.54Å; L1619-Y1630 HydrophobicContact CD2-CE2 3.35Å; L1619-Y1630 HydrophobicContact CD2-CG 4.11Å
1620I95.5Very high79.9Confident69 Ų6970.4 Ų70.435%0.35437%0.369SS..EExtended strand (participates in β ladder)trans-96.4117.4-178.3-53.7178.9000109.3E1584 P1618 Q1626E1584-I1620 HydrophobicContact CB-CG2 3.73Å; E1584-I1620 HydrophobicContact CG-CG2 4.48Å; E1584-I1620 WeakPolarHBondContact OE2-CG2 3.3Å; P1618-I1620 PolarHBondContact O-N 3.37Å; I1620-Q1626 PolarHBondContact O-NE2 2.9Å; I1620-Q1626 VanDerWaalsContact O-NE2 3.14Å
1621I95.8Very high82.5Confident0 Ų067.7 Ų67.70%035%0.352CS..EExtended strand (participates in β ladder)trans-99.5114.1176.3-53.1-65.3000108.9Y1452 L1585 L1587 L1619 D1623 Q1626 M1627 Y1630Y1452-I1621 HydrophobicContact CE2-CG2 4.32Å; Y1452-I1621 WeakPolarHBondContact OH-CG2 3.39Å; Y1452-I1621 PolarHBondContact OH-O 2.85Å; L1585-I1621 HydrophobicContact CB-CB 4.21Å; L1585-I1621 PolarHBondContact N-O 3.36Å; L1585-I1621 PolarHBondContact O-N 2.92Å; L1587-I1621 HydrophobicContact CD1-CD1 4.36Å; L1587-I1621 HydrophobicContact CD1-CG1 3.77Å; L1587-I1621 HydrophobicContact CG-CG1 4.29Å; L1619-I1621 HydrophobicContact CD2-CD1 3.94Å; L1619-I1621 HydrophobicContact CG-CD1 4Å; I1621-D1623 WeakPolarHBondContact CG2-O 3.08Å; I1621-Q1626 HydrophobicContact CD1-CG 4.4Å; I1621-Q1626 HydrophobicContact CG2-CB 4.25Å; I1621-Q1626 HydrophobicContact CG2-CG 4.38Å; I1621-M1627 HydrophobicContact CB-SD 4.45Å; I1621-M1627 HydrophobicContact CD1-SD 4.31Å; I1621-M1627 HydrophobicContact CG1-SD 3.89Å; I1621-M1627 HydrophobicContact CG2-CB 3.69Å; I1621-M1627 HydrophobicContact CG2-CG 4.42Å; I1621-M1627 HydrophobicContact CG2-SD 4.05Å; I1621-Y1630 HydrophobicContact CD1-CD1 4.32Å; I1621-Y1630 HydrophobicContact CD1-CG 4.3Å
1622K92Very high84.8Confident141 Ų14167.5 Ų67.561%0.61334%0.342SS*.  trans-77.1-39.7-174.4-62.1-177.6176.1-176.90112.6Q1626K1622-Q1626 VanDerWaalsContact CB-OE1 3.31Å
1623D92.7Very high87.2Confident73 Ų7363.8 Ų63.839%0.3933%0.325SS..SBendtrans-149.4173.4-173.565.814.9000113.4I1621 P1625 Q1626 M1627I1621-D1623 WeakPolarHBondContact CG2-O 3.08Å; D1623-P1625 WeakPolarHBondContact OD1-CD 3.5Å; D1623-Q1626 PolarHBondContact O-N 3.31Å; D1623-Q1626 WeakPolarHBondContact OD1-CB 3.34Å; D1623-Q1626 PolarHBondContact OD1-N 2.89Å; D1623-M1627 PolarHBondContact O-N 3.2Å; D1623-M1627 VanDerWaalsContact O-N 3.11Å
1624M94.6Very high89.2Confident12 Ų1262 Ų626%0.05932%0.315CS..Hα-helixtrans-60.7-45.4179.2175.2-78.9-76.600113.2Y1431 A1448 E1451 Y1452 Q1626 M1627 S1628Y1431-M1624 HydrophobicContact CD1-CE 4.02Å; Y1431-M1624 HydrophobicContact CD2-CE 3.55Å; Y1431-M1624 HydrophobicContact CE1-CE 4.16Å; Y1431-M1624 HydrophobicContact CE2-CE 3.72Å; Y1431-M1624 HydrophobicContact CG-CE 3.7Å; A1448-M1624 WeakPolarHBondContact O-CG 3.17Å; E1451-M1624 HydrophobicContact CB-CE 4.07Å; E1451-M1624 HydrophobicContact CB-CG 3.82Å; E1451-M1624 HydrophobicContact CB-SD 3.72Å; E1451-M1624 HydrophobicContact CG-CE 4.49Å; Y1452-M1624 HydrophobicContact CD1-CB 3.67Å; Y1452-M1624 HydrophobicContact CD1-CG 4.47Å; Y1452-M1624 HydrophobicContact CE1-CB 4.36Å; Y1452-M1624 HydrophobicContact CG-CB 3.84Å; Y1452-M1624 HydrophobicContact CG-CG 4.17Å; M1624-Q1626 VanDerWaalsContact C-N 3.33Å; M1624-Q1626 PolarHBondContact O-N 3.42Å; M1624-M1627 WeakPolarHBondContact O-CB 3.38Å; M1624-M1627 PolarHBondContact O-N 2.78Å; M1624-S1628 WeakPolarHBondContact O-CB 3.39Å; M1624-S1628 PolarHBondContact O-N 2.72Å; M1624-S1628 PolarHBondContact O-OG 2.85Å; M1624-S1628 PolarHBondContact SD-OG 3.14Å
1625P94.6Very high91.1Very high46 Ų4660.6 Ų60.630%0.29931%0.305SS..Hα-helixtrans-58.3-41.6176.9-28.536.3000113.5Y1431 D1623 S1628 N1629Y1431-P1625 HydrophobicContact CD2-CG 4.08Å; Y1431-P1625 HydrophobicContact CE2-CG 3.88Å; D1623-P1625 WeakPolarHBondContact OD1-CD 3.5Å; P1625-S1628 PolarHBondContact O-N 3.46Å; P1625-N1629 WeakPolarHBondContact O-CB 3.41Å; P1625-N1629 PolarHBondContact O-N 2.55Å; P1625-N1629 PolarHBondContact O-ND2 3.38Å
1626Q96Very high92.5Very high66 Ų6656.1 Ų56.131%0.30828%0.281SS..Hα-helixtrans-62.6-44.5175.3-172.8-173.4-8.100110.9I1620 I1621 K1622 D1623 M1624 S1628 N1629 Y1630I1620-Q1626 PolarHBondContact O-NE2 2.9Å; I1620-Q1626 VanDerWaalsContact O-NE2 3.14Å; I1621-Q1626 HydrophobicContact CD1-CG 4.4Å; I1621-Q1626 HydrophobicContact CG2-CB 4.25Å; I1621-Q1626 HydrophobicContact CG2-CG 4.38Å; K1622-Q1626 VanDerWaalsContact CB-OE1 3.31Å; D1623-Q1626 PolarHBondContact O-N 3.31Å; D1623-Q1626 WeakPolarHBondContact OD1-CB 3.34Å; D1623-Q1626 PolarHBondContact OD1-N 2.89Å; M1624-Q1626 VanDerWaalsContact C-N 3.33Å; M1624-Q1626 PolarHBondContact O-N 3.42Å; Q1626-S1628 PolarHBondContact O-N 2.98Å; Q1626-N1629 PolarHBondContact O-N 3.18Å; Q1626-Y1630 VanDerWaalsContact O-CB 3.28Å; Q1626-Y1630 WeakPolarHBondContact O-CB 3.32Å; Q1626-Y1630 PolarHBondContact O-N 3.28Å
1627M96.3Very high93.3Very high0 Ų058.1 Ų58.10%029%0.29CS..Hα-helixtrans-59-47.9175.9-168.461.9-169.500111.8Y1452 A1455 V1456 Y1459 L1585 L1587 I1621 D1623 M1624 N1629 Y1630 V1631Y1452-M1627 HydrophobicContact CD2-CB 3.73Å; Y1452-M1627 HydrophobicContact CD2-CG 3.75Å; Y1452-M1627 HydrophobicContact CE2-CB 3.43Å; Y1452-M1627 VanDerWaalsContact CE2-CB 3.43Å; Y1452-M1627 HydrophobicContact CE2-CG 3.55Å; Y1452-M1627 HydrophobicContact CE2-SD 4.28Å; A1455-M1627 HydrophobicContact CB-CB 4.41Å; A1455-M1627 HydrophobicContact CB-CG 3.72Å; V1456-M1627 HydrophobicContact CB-CE 4.46Å; V1456-M1627 HydrophobicContact CG2-CE 3.74Å; V1456-M1627 HydrophobicContact CG2-CG 4.31Å; V1456-M1627 HydrophobicContact CG2-SD 4.36Å; Y1459-M1627 HydrophobicContact CD1-CE 4.45Å; Y1459-M1627 HydrophobicContact CD2-CE 4.47Å; Y1459-M1627 HydrophobicContact CG-CE 3.95Å; L1585-M1627 HydrophobicContact CD2-CE 4.28Å; L1585-M1627 HydrophobicContact CD2-SD 3.9Å; L1587-M1627 HydrophobicContact CD1-CE 3.95Å; L1587-M1627 HydrophobicContact CD1-SD 3.98Å; I1621-M1627 HydrophobicContact CB-SD 4.45Å; I1621-M1627 HydrophobicContact CD1-SD 4.31Å; I1621-M1627 HydrophobicContact CG1-SD 3.89Å; I1621-M1627 HydrophobicContact CG2-CB 3.69Å; I1621-M1627 HydrophobicContact CG2-CG 4.42Å; I1621-M1627 HydrophobicContact CG2-SD 4.05Å; D1623-M1627 PolarHBondContact O-N 3.2Å; D1623-M1627 VanDerWaalsContact O-N 3.11Å; M1624-M1627 WeakPolarHBondContact O-CB 3.38Å; M1624-M1627 PolarHBondContact O-N 2.78Å; M1627-N1629 VanDerWaalsContact C-N 3.34Å; M1627-N1629 PolarHBondContact O-N 3.4Å; M1627-Y1630 PolarHBondContact O-N 2.86Å; M1627-V1631 HydrophobicContact CE-CG2 3.45Å; M1627-V1631 VanDerWaalsContact CE-CG2 3.45Å; M1627-V1631 HydrophobicContact CG-CG2 4.27Å; M1627-V1631 WeakPolarHBondContact O-CB 3.47Å; M1627-V1631 VanDerWaalsContact O-CG2 3.27Å; M1627-V1631 WeakPolarHBondContact O-CG2 3.4Å; M1627-V1631 PolarHBondContact O-N 3.21Å; M1627-V1631 HydrophobicContact SD-CG2 4.24Å
1628S94Very high93.5Very high28 Ų2856.1 Ų56.120%0.19627%0.271CS..Hα-helixtrans-63.1-41.1-176.7-60.80000111.7M1624 P1625 Q1626 R1632M1624-S1628 WeakPolarHBondContact O-CB 3.39Å; M1624-S1628 PolarHBondContact O-N 2.72Å; M1624-S1628 PolarHBondContact O-OG 2.85Å; M1624-S1628 PolarHBondContact SD-OG 3.14Å; P1625-S1628 PolarHBondContact O-N 3.46Å; Q1626-S1628 PolarHBondContact O-N 2.98Å; S1628-R1632 WeakPolarHBondContact O-CB 3.36Å; S1628-R1632 PolarHBondContact O-N 2.78Å; S1628-R1632 VanDerWaalsContact O-N 3.12Å
1629N95.9Very high93.5Very high77 Ų7757.5 Ų57.541%0.41228%0.276SS..Hα-helixtrans-66.5-44.4174.4-77.4-37000112.1P1625 Q1626 M1627 V1631 R1632 E1633P1625-N1629 WeakPolarHBondContact O-CB 3.41Å; P1625-N1629 PolarHBondContact O-N 2.55Å; P1625-N1629 PolarHBondContact O-ND2 3.38Å; Q1626-N1629 PolarHBondContact O-N 3.18Å; M1627-N1629 VanDerWaalsContact C-N 3.34Å; M1627-N1629 PolarHBondContact O-N 3.4Å; N1629-V1631 PolarHBondContact O-N 2.94Å; N1629-R1632 PolarHBondContact O-N 3.33Å; N1629-R1632 PolarHBondContact OD1-NH2 3.35Å; N1629-E1633 WeakPolarHBondContact O-CG 3.46Å; N1629-E1633 PolarHBondContact O-N 3.43Å
1630Y96.1Very high93.4Very high49 Ų4960.9 Ų60.919%0.19229%0.291CS..Hα-helixtrans-61.1-45.8179.4177.8-108.3000112Y1459 L1587 P1589 L1619 I1621 Q1626 M1627 R1632 E1633 L1634Y1459-Y1630 HydrophobicContact CD2-CE1 4.24Å; Y1459-Y1630 HydrophobicContact CE2-CE1 4.13Å; L1587-Y1630 HydrophobicContact CD1-CE1 4.31Å; P1589-Y1630 WeakPolarHBondContact CB-OH 3.36Å; P1589-Y1630 HydrophobicContact CG-CE1 4.43Å; P1589-Y1630 WeakPolarHBondContact CG-OH 3.46Å; L1619-Y1630 HydrophobicContact CD2-CD1 3.99Å; L1619-Y1630 HydrophobicContact CD2-CD2 3.82Å; L1619-Y1630 HydrophobicContact CD2-CE1 3.54Å; L1619-Y1630 HydrophobicContact CD2-CE2 3.35Å; L1619-Y1630 HydrophobicContact CD2-CG 4.11Å; I1621-Y1630 HydrophobicContact CD1-CD1 4.32Å; I1621-Y1630 HydrophobicContact CD1-CG 4.3Å; Q1626-Y1630 VanDerWaalsContact O-CB 3.28Å; Q1626-Y1630 WeakPolarHBondContact O-CB 3.32Å; Q1626-Y1630 PolarHBondContact O-N 3.28Å; M1627-Y1630 PolarHBondContact O-N 2.86Å; Y1630-R1632 VanDerWaalsContact C-N 3.34Å; Y1630-R1632 PolarHBondContact O-N 3.42Å; Y1630-E1633 PolarHBondContact O-N 3.4Å; Y1630-L1634 HydrophobicContact CE1-CD1 3.78Å; Y1630-L1634 VanDerWaalsContact O-CB 3.26Å; Y1630-L1634 WeakPolarHBondContact O-CB 3.47Å; Y1630-L1634 PolarHBondContact O-N 3.07Å; Y1630-L1634 VanDerWaalsContact OH-CD1 3.31Å; Y1630-L1634 WeakPolarHBondContact OH-CD1 3.25Å
1631V94.5Very high93.1Very high1 Ų163.6 Ų63.61%0.00630%0.297CS..Hα-helixtrans-66.5-37.1179172.30000111.7A1455 M1458 I1462 M1627 N1629 L1634 Y1635A1455-V1631 HydrophobicContact CB-CG2 4.37Å; A1455-V1631 WeakPolarHBondContact O-CG2 3.22Å; M1458-V1631 HydrophobicContact CB-CG1 3.52Å; M1458-V1631 HydrophobicContact CE-CG1 3.95Å; M1458-V1631 HydrophobicContact SD-CG1 4.3Å; I1462-V1631 HydrophobicContact CD1-CG1 4.07Å; M1627-V1631 HydrophobicContact CE-CG2 3.45Å; M1627-V1631 VanDerWaalsContact CE-CG2 3.45Å; M1627-V1631 HydrophobicContact CG-CG2 4.27Å; M1627-V1631 WeakPolarHBondContact O-CB 3.47Å; M1627-V1631 VanDerWaalsContact O-CG2 3.27Å; M1627-V1631 WeakPolarHBondContact O-CG2 3.4Å; M1627-V1631 PolarHBondContact O-N 3.21Å; M1627-V1631 HydrophobicContact SD-CG2 4.24Å; N1629-V1631 PolarHBondContact O-N 2.94Å; V1631-L1634 PolarHBondContact O-N 2.86Å; V1631-Y1635 VanDerWaalsContact O-CB 3.24Å; V1631-Y1635 WeakPolarHBondContact O-CB 3.46Å; V1631-Y1635 PolarHBondContact O-N 3.23Å
1632R92.8Very high92.7Very high118 Ų11867 Ų6745%0.44532%0.315SS..Hα-helixtrans-61.4-48.5173178.217954.372.35.1111.2S1628 N1629 Y1630 L1634 Y1635 D1636S1628-R1632 WeakPolarHBondContact O-CB 3.36Å; S1628-R1632 PolarHBondContact O-N 2.78Å; S1628-R1632 VanDerWaalsContact O-N 3.12Å; N1629-R1632 PolarHBondContact O-N 3.33Å; N1629-R1632 PolarHBondContact OD1-NH2 3.35Å; Y1630-R1632 VanDerWaalsContact C-N 3.34Å; Y1630-R1632 PolarHBondContact O-N 3.42Å; R1632-L1634 VanDerWaalsContact C-N 3.35Å; R1632-L1634 PolarHBondContact O-N 3.38Å; R1632-Y1635 WeakPolarHBondContact O-CB 3.3Å; R1632-Y1635 PolarHBondContact O-N 2.73Å; R1632-D1636 VanDerWaalsContact O-CG 3.26Å; R1632-D1636 PolarHBondContact O-N 3.13Å
1633E94.7Very high92.5Very high95 Ų9565.1 Ų65.144%0.44431%0.31SS..Hα-helixtrans-62-42.2176.8-72.5171.7-165.800112.2N1629 Y1630 Y1635 D1636 Q1637N1629-E1633 WeakPolarHBondContact O-CG 3.46Å; N1629-E1633 PolarHBondContact O-N 3.43Å; Y1630-E1633 PolarHBondContact O-N 3.4Å; E1633-Y1635 VanDerWaalsContact C-N 3.35Å; E1633-D1636 PolarHBondContact O-N 2.94Å; E1633-Q1637 WeakPolarHBondContact O-CB 3.44Å; E1633-Q1637 VanDerWaalsContact O-CG 3.24Å; E1633-Q1637 WeakPolarHBondContact O-CG 3.34Å; E1633-Q1637 PolarHBondContact O-N 3.18Å
1634L92.4Very high92.3Very high20 Ų2064.6 Ų64.611%0.10531%0.309CS..Hα-helixtrans-67.6-35.9178.2-172144.6000111.6Y1459 I1462 Y1630 V1631 R1632 K1638Y1459-L1634 HydrophobicContact CD2-CD1 4.37Å; Y1459-L1634 HydrophobicContact CE2-CD1 4.3Å; I1462-L1634 HydrophobicContact CB-CD2 3.57Å; I1462-L1634 HydrophobicContact CD1-CD2 3.63Å; I1462-L1634 HydrophobicContact CG1-CD2 4.17Å; I1462-L1634 HydrophobicContact CG2-CD2 3.21Å; I1462-L1634 HydrophobicContact CG2-CG 4.5Å; Y1630-L1634 HydrophobicContact CE1-CD1 3.78Å; Y1630-L1634 VanDerWaalsContact O-CB 3.26Å; Y1630-L1634 WeakPolarHBondContact O-CB 3.47Å; Y1630-L1634 PolarHBondContact O-N 3.07Å; Y1630-L1634 VanDerWaalsContact OH-CD1 3.31Å; Y1630-L1634 WeakPolarHBondContact OH-CD1 3.25Å; V1631-L1634 PolarHBondContact O-N 2.86Å; R1632-L1634 VanDerWaalsContact C-N 3.35Å; R1632-L1634 PolarHBondContact O-N 3.38Å; L1634-K1638 WeakPolarHBondContact O-CB 3.26Å; L1634-K1638 PolarHBondContact O-N 2.97Å
1635Y92.4Very high91.8Very high47 Ų4766.9 Ų66.918%0.18432%0.32CS..Hα-helixtrans-64.2-48.4171.3178.6-94.5000111.3I1462 N1494 L1496 V1631 R1632 E1633 Q1637 K1638 L1639I1462-Y1635 HydrophobicContact CD1-CD2 4.28Å; I1462-Y1635 HydrophobicContact CG1-CD2 4.42Å; N1494-Y1635 VanDerWaalsContact ND2-CE2 3.28Å; N1494-Y1635 WeakPolarHBondContact ND2-CE2 3.43Å; N1494-Y1635 VanDerWaalsContact ND2-CZ 3.25Å; N1494-Y1635 PolarHBondContact ND2-OH 3.06Å; N1494-Y1635 PolarHBondContact OD1-OH 3.42Å; L1496-Y1635 HydrophobicContact CD2-CD2 4.05Å; L1496-Y1635 HydrophobicContact CD2-CE2 3.79Å; V1631-Y1635 VanDerWaalsContact O-CB 3.24Å; V1631-Y1635 WeakPolarHBondContact O-CB 3.46Å; V1631-Y1635 PolarHBondContact O-N 3.23Å; R1632-Y1635 WeakPolarHBondContact O-CB 3.3Å; R1632-Y1635 PolarHBondContact O-N 2.73Å; E1633-Y1635 VanDerWaalsContact C-N 3.35Å; Y1635-Q1637 VanDerWaalsContact C-N 3.32Å; Y1635-Q1637 PolarHBondContact O-N 2.92Å; Y1635-K1638 PolarHBondContact O-N 3.38Å; Y1635-K1638 VanDerWaalsContact O-N 3.16Å; Y1635-L1639 HydrophobicContact CE1-CD2 4.25Å; Y1635-L1639 WeakPolarHBondContact O-CB 3.47Å; Y1635-L1639 PolarHBondContact O-N 2.88Å
1636D92.7Very high91.3Very high65 Ų6569.1 Ų69.135%0.34833%0.329SS..Hα-helixtrans-60-43.1178.4-68.8-24.5000111R1632 E1633 L1639 Q1640R1632-D1636 VanDerWaalsContact O-CG 3.26Å; R1632-D1636 PolarHBondContact O-N 3.13Å; E1633-D1636 PolarHBondContact O-N 2.94Å; D1636-L1639 PolarHBondContact O-N 2.91Å; D1636-Q1640 WeakPolarHBondContact O-CB 3.13Å; D1636-Q1640 VanDerWaalsContact O-CG 3.25Å; D1636-Q1640 WeakPolarHBondContact O-CG 3.42Å; D1636-Q1640 PolarHBondContact O-N 3.22Å
1637Q91.6Very high90.7Very high122 Ų12271 Ų7157%0.5734%0.338SS*.Hα-helixtrans-62.9-43.8174.4-72.8172.220.400112.2E1633 Y1635 L1639 Q1640 Y1641E1633-Q1637 WeakPolarHBondContact O-CB 3.44Å; E1633-Q1637 VanDerWaalsContact O-CG 3.24Å; E1633-Q1637 WeakPolarHBondContact O-CG 3.34Å; E1633-Q1637 PolarHBondContact O-N 3.18Å; Y1635-Q1637 VanDerWaalsContact C-N 3.32Å; Y1635-Q1637 PolarHBondContact O-N 2.92Å; Q1637-L1639 VanDerWaalsContact C-N 3.35Å; Q1637-Q1640 PolarHBondContact O-N 3.31Å; Q1637-Y1641 WeakPolarHBondContact O-CB 3.42Å; Q1637-Y1641 PolarHBondContact O-N 3.1Å
1638K88.7Confident90Very high67 Ų6776.9 Ų76.929%0.29136%0.363SS..Hα-helixtrans-64.8-41.5177.5-170.674173.1-167.50111.1I1462 L1496 L1634 Y1635 Y1641 L1642I1462-K1638 HydrophobicContact CG2-CB 3.74Å; I1462-K1638 HydrophobicContact CG2-CD 4.11Å; I1462-K1638 HydrophobicContact CG2-CG 3.77Å; L1496-K1638 HydrophobicContact CD2-CG 4.29Å; L1634-K1638 WeakPolarHBondContact O-CB 3.26Å; L1634-K1638 PolarHBondContact O-N 2.97Å; Y1635-K1638 PolarHBondContact O-N 3.38Å; Y1635-K1638 VanDerWaalsContact O-N 3.16Å; K1638-Y1641 WeakPolarHBondContact O-CB 3.38Å; K1638-Y1641 PolarHBondContact O-N 3.29Å; K1638-L1642 HydrophobicContact CG-CD1 4.17Å; K1638-L1642 HydrophobicContact CG-CG 4.48Å; K1638-L1642 WeakPolarHBondContact O-CB 3.43Å; K1638-L1642 VanDerWaalsContact O-CG 3.28Å; K1638-L1642 WeakPolarHBondContact O-CG 3.42Å; K1638-L1642 PolarHBondContact O-N 3.33Å
1639L88.4Confident89.3Confident59 Ų5981.3 Ų81.331%0.30938%0.381SS..Hα-helixtrans-63.9-45.7177-173.267.6000110.6Y1635 D1636 Q1637 Y1641 L1642 M1643Y1635-L1639 HydrophobicContact CE1-CD2 4.25Å; Y1635-L1639 WeakPolarHBondContact O-CB 3.47Å; Y1635-L1639 PolarHBondContact O-N 2.88Å; D1636-L1639 PolarHBondContact O-N 2.91Å; Q1637-L1639 VanDerWaalsContact C-N 3.35Å; L1639-Y1641 VanDerWaalsContact C-N 3.33Å; L1639-Y1641 PolarHBondContact O-N 3.47Å; L1639-L1642 PolarHBondContact O-N 3.1Å; L1639-M1643 HydrophobicContact CD1-CE 4.22Å; L1639-M1643 HydrophobicContact CD2-CE 4.1Å; L1639-M1643 HydrophobicContact CG-CE 3.98Å; L1639-M1643 HydrophobicContact CG-SD 4.41Å; L1639-M1643 WeakPolarHBondContact O-CB 3.5Å; L1639-M1643 VanDerWaalsContact O-CG 3.29Å; L1639-M1643 WeakPolarHBondContact O-CG 3.27Å; L1639-M1643 PolarHBondContact O-N 2.97Å
1640Q90.6Very high88.5Confident124 Ų12482.3 Ų82.358%0.57938%0.383SS*.Hα-helixtrans-59.7-42173.7-74.5173.715.700112D1636 Q1637 M1643 T1644D1636-Q1640 WeakPolarHBondContact O-CB 3.13Å; D1636-Q1640 VanDerWaalsContact O-CG 3.25Å; D1636-Q1640 WeakPolarHBondContact O-CG 3.42Å; D1636-Q1640 PolarHBondContact O-N 3.22Å; Q1637-Q1640 PolarHBondContact O-N 3.31Å; Q1640-M1643 PolarHBondContact O-N 3.27Å; Q1640-T1644 WeakPolarHBondContact O-CB 3.38Å; Q1640-T1644 PolarHBondContact O-N 2.84Å; Q1640-T1644 PolarHBondContact O-OG1 3.02Å
1641Y89.2Confident87.4Confident126 Ų12685.8 Ų85.849%0.49440%0.4SS..Hα-helixtrans-62.2-47.9174.9173.3-95.2000111.6Q1637 K1638 L1639 T1644 Q1645Q1637-Y1641 WeakPolarHBondContact O-CB 3.42Å; Q1637-Y1641 PolarHBondContact O-N 3.1Å; K1638-Y1641 WeakPolarHBondContact O-CB 3.38Å; K1638-Y1641 PolarHBondContact O-N 3.29Å; L1639-Y1641 VanDerWaalsContact C-N 3.33Å; L1639-Y1641 PolarHBondContact O-N 3.47Å; Y1641-T1644 PolarHBondContact O-N 3.44Å; Y1641-Q1645 HydrophobicContact CD1-CG 4.29Å; Y1641-Q1645 HydrophobicContact CE1-CG 3.82Å; Y1641-Q1645 HydrophobicContact CE2-CG 4.1Å; Y1641-Q1645 WeakPolarHBondContact O-CG 3.19Å; Y1641-Q1645 PolarHBondContact O-N 3.4Å; Y1641-Q1645 PolarHBondContact OH-NE2 3.45Å; Y1641-Q1645 VanDerWaalsContact OH-NE2 3.1Å
1642L86.4Confident86.2Confident70 Ų7088.6 Ų88.637%0.36642%0.424SS..Hα-helixtrans-63-43.4177.7-72.1172.5000111.2L1496 K1638 L1639 T1644 Q1645 L1646L1496-L1642 HydrophobicContact CD1-CD1 4.31Å; K1638-L1642 HydrophobicContact CG-CD1 4.17Å; K1638-L1642 HydrophobicContact CG-CG 4.48Å; K1638-L1642 WeakPolarHBondContact O-CB 3.43Å; K1638-L1642 VanDerWaalsContact O-CG 3.28Å; K1638-L1642 WeakPolarHBondContact O-CG 3.42Å; K1638-L1642 PolarHBondContact O-N 3.33Å; L1639-L1642 PolarHBondContact O-N 3.1Å; L1642-T1644 PolarHBondContact O-N 3.23Å; L1642-Q1645 PolarHBondContact O-N 2.84Å; L1642-L1646 WeakPolarHBondContact O-CB 2.81Å; L1642-L1646 PolarHBondContact O-N 3.16Å
1643M86.9Confident84.8Confident103 Ų10388 Ų8851%0.50743%0.426SS..Hα-helixtrans-61.1-42.5173.9-75.7-176.3174.100111.7L1639 Q1640 Q1645 L1646 Q1647L1639-M1643 HydrophobicContact CD1-CE 4.22Å; L1639-M1643 HydrophobicContact CD2-CE 4.1Å; L1639-M1643 HydrophobicContact CG-CE 3.98Å; L1639-M1643 HydrophobicContact CG-SD 4.41Å; L1639-M1643 WeakPolarHBondContact O-CB 3.5Å; L1639-M1643 VanDerWaalsContact O-CG 3.29Å; L1639-M1643 WeakPolarHBondContact O-CG 3.27Å; L1639-M1643 PolarHBondContact O-N 2.97Å; Q1640-M1643 PolarHBondContact O-N 3.27Å; M1643-Q1645 VanDerWaalsContact C-N 3.34Å; M1643-Q1645 PolarHBondContact O-N 3.39Å; M1643-L1646 PolarHBondContact O-N 3.45Å; M1643-Q1647 WeakPolarHBondContact O-CB 3.12Å; M1643-Q1647 VanDerWaalsContact O-CG 3.28Å; M1643-Q1647 WeakPolarHBondContact O-CG 3.44Å; M1643-Q1647 PolarHBondContact O-N 3.49Å
1644T89.1Confident83.1Confident62 Ų6288.2 Ų88.238%0.3843%0.43SS..Hα-helixtrans-64.7-39.3176.4-570000111.1Q1640 Y1641 L1642 K1648Q1640-T1644 WeakPolarHBondContact O-CB 3.38Å; Q1640-T1644 PolarHBondContact O-N 2.84Å; Q1640-T1644 PolarHBondContact O-OG1 3.02Å; Y1641-T1644 PolarHBondContact O-N 3.44Å; L1642-T1644 PolarHBondContact O-N 3.23Å; T1644-K1648 HydrophobicContact CG2-CD 4.43Å; T1644-K1648 WeakPolarHBondContact O-CB 3.3Å; T1644-K1648 VanDerWaalsContact O-CG 3.27Å; T1644-K1648 WeakPolarHBondContact O-CG 3.35Å; T1644-K1648 PolarHBondContact O-N 3.42Å
1645Q84.1Confident81.1Confident60 Ų6095.2 Ų95.228%0.2846%0.46SS..Hα-helixtrans-67.8-40.7175.3-71.5-65-4.700111.8Y1641 L1642 M1643 K1648 Q1649Y1641-Q1645 HydrophobicContact CD1-CG 4.29Å; Y1641-Q1645 HydrophobicContact CE1-CG 3.82Å; Y1641-Q1645 HydrophobicContact CE2-CG 4.1Å; Y1641-Q1645 WeakPolarHBondContact O-CG 3.19Å; Y1641-Q1645 PolarHBondContact O-N 3.4Å; Y1641-Q1645 PolarHBondContact OH-NE2 3.45Å; Y1641-Q1645 VanDerWaalsContact OH-NE2 3.1Å; L1642-Q1645 PolarHBondContact O-N 2.84Å; M1643-Q1645 VanDerWaalsContact C-N 3.34Å; M1643-Q1645 PolarHBondContact O-N 3.39Å; Q1645-K1648 PolarHBondContact O-N 2.97Å; Q1645-Q1649 WeakPolarHBondContact O-CB 3.4Å; Q1645-Q1649 WeakPolarHBondContact O-CG 3.45Å; Q1645-Q1649 PolarHBondContact O-N 3.21Å
1646L84.7Confident79.2Confident92 Ų9297.9 Ų97.948%0.48248%0.481SS..Hα-helixtrans-65.7-42.3176.4-145.6163.4000110.5L1642 M1643 Q1649 Q1650L1642-L1646 WeakPolarHBondContact O-CB 2.81Å; L1642-L1646 PolarHBondContact O-N 3.16Å; M1643-L1646 PolarHBondContact O-N 3.45Å; L1646-Q1649 PolarHBondContact O-N 2.92Å; L1646-Q1650 HydrophobicContact CD2-CG 4.08Å; L1646-Q1650 VanDerWaalsContact CD2-NE2 3.28Å; L1646-Q1650 WeakPolarHBondContact O-CB 3.41Å; L1646-Q1650 VanDerWaalsContact O-CG 3.31Å; L1646-Q1650 WeakPolarHBondContact O-CG 3.42Å; L1646-Q1650 PolarHBondContact O-N 2.99Å
1647Q83.2Confident77.1Confident107 Ų107100.6 Ų100.650%0.549%0.494SS..Hα-helixtrans-63.5-40.6171.4-75.9175.8-3.900112.2M1643 Q1649 Q1650 H1651M1643-Q1647 WeakPolarHBondContact O-CB 3.12Å; M1643-Q1647 VanDerWaalsContact O-CG 3.28Å; M1643-Q1647 WeakPolarHBondContact O-CG 3.44Å; M1643-Q1647 PolarHBondContact O-N 3.49Å; Q1647-Q1649 VanDerWaalsContact C-N 3.34Å; Q1647-Q1650 PolarHBondContact O-N 2.95Å; Q1647-H1651 VanDerWaalsContact O-CB 3.3Å; Q1647-H1651 WeakPolarHBondContact O-CB 3.41Å; Q1647-H1651 PolarHBondContact O-CD2 2.81Å; Q1647-H1651 PolarHBondContact O-N 3.49Å
1648K81.8Confident74.6Confident123 Ų123100.2 Ų100.254%0.53550%0.5SS..Hα-helixtrans-63.6-40173.6-80.1176.5-178.9179.40111.6T1644 Q1645 H1651 A1652T1644-K1648 HydrophobicContact CG2-CD 4.43Å; T1644-K1648 WeakPolarHBondContact O-CB 3.3Å; T1644-K1648 VanDerWaalsContact O-CG 3.27Å; T1644-K1648 WeakPolarHBondContact O-CG 3.35Å; T1644-K1648 PolarHBondContact O-N 3.42Å; Q1645-K1648 PolarHBondContact O-N 2.97Å; K1648-H1651 PolarHBondContact O-N 2.84Å; K1648-A1652 WeakPolarHBondContact O-CB 3.41Å; K1648-A1652 PolarHBondContact O-N 3.19Å
1649Q78.1Confident72.4Confident120 Ų120103.3 Ų103.356%0.56153%0.525SS*.Hα-helixtrans-64.6-44.7173.9-75.5175.7-2.100111Q1645 L1646 Q1647 A1652 Q1653Q1645-Q1649 WeakPolarHBondContact O-CB 3.4Å; Q1645-Q1649 WeakPolarHBondContact O-CG 3.45Å; Q1645-Q1649 PolarHBondContact O-N 3.21Å; L1646-Q1649 PolarHBondContact O-N 2.92Å; Q1647-Q1649 VanDerWaalsContact C-N 3.34Å; Q1649-A1652 PolarHBondContact O-N 2.95Å; Q1649-Q1653 WeakPolarHBondContact O-CB 3.43Å; Q1649-Q1653 VanDerWaalsContact O-CG 3.29Å; Q1649-Q1653 WeakPolarHBondContact O-CG 3.46Å; Q1649-Q1653 PolarHBondContact O-N 2.81Å
1650Q80.4Confident69.9Low99 Ų99104.2 Ų104.246%0.46354%0.541SS..Hα-helixtrans-63.2-41.9174.3-73.5175.2-6.200112.3L1646 Q1647 Q1653 N1654L1646-Q1650 HydrophobicContact CD2-CG 4.08Å; L1646-Q1650 VanDerWaalsContact CD2-NE2 3.28Å; L1646-Q1650 WeakPolarHBondContact O-CB 3.41Å; L1646-Q1650 VanDerWaalsContact O-CG 3.31Å; L1646-Q1650 WeakPolarHBondContact O-CG 3.42Å; L1646-Q1650 PolarHBondContact O-N 2.99Å; Q1647-Q1650 PolarHBondContact O-N 2.95Å; Q1650-Q1653 PolarHBondContact O-N 3.16Å; Q1650-N1654 WeakPolarHBondContact O-CB 3.41Å; Q1650-N1654 VanDerWaalsContact O-CG 3.23Å; Q1650-N1654 PolarHBondContact O-N 3.15Å; Q1650-N1654 PolarHBondContact O-ND2 3.24Å
1651H73.2Confident66.9Low121 Ų121104.1 Ų104.156%0.5655%0.549SS*.Hα-helixtrans-69.8-36.4176.2-81.5-58.5000112.8Q1647 K1648 N1654 K1655Q1647-H1651 VanDerWaalsContact O-CB 3.3Å; Q1647-H1651 WeakPolarHBondContact O-CB 3.41Å; Q1647-H1651 PolarHBondContact O-CD2 2.81Å; Q1647-H1651 PolarHBondContact O-N 3.49Å; K1648-H1651 PolarHBondContact O-N 2.84Å; H1651-N1654 PolarHBondContact O-N 3.38Å; H1651-K1655 PolarHBondContact O-N 2.87Å
1652A68.2Low64.1Low60 Ų60105.1 Ų105.150%0.49657%0.568SS.*Hα-helixtrans-64.6-43.6172.600000110.7K1648 Q1649 K1655 T1656K1648-A1652 WeakPolarHBondContact O-CB 3.41Å; K1648-A1652 PolarHBondContact O-N 3.19Å; Q1649-A1652 PolarHBondContact O-N 2.95Å; A1652-K1655 PolarHBondContact O-N 3.15Å; A1652-T1656 PolarHBondContact O-N 3.3Å; A1652-T1656 PolarHBondContact O-OG1 2.78Å; A1652-T1656 VanDerWaalsContact O-OG1 3.05Å
1653Q63.2Low61.3Low107 Ų107105 Ų10550%0.558%0.584SS.*Hα-helixtrans-62.3-42.2173.8-75.8176.7-8.500111.9Q1649 Q1650 T1656 I1657Q1649-Q1653 WeakPolarHBondContact O-CB 3.43Å; Q1649-Q1653 VanDerWaalsContact O-CG 3.29Å; Q1649-Q1653 WeakPolarHBondContact O-CG 3.46Å; Q1649-Q1653 PolarHBondContact O-N 2.81Å; Q1650-Q1653 PolarHBondContact O-N 3.16Å; Q1653-T1656 WeakPolarHBondContact CA-OG1 3.34Å; Q1653-T1656 PolarHBondContact O-N 2.64Å; Q1653-T1656 PolarHBondContact O-OG1 3.29Å; Q1653-I1657 WeakPolarHBondContact O-CG1 3.44Å
1654N59.8Low58.2Low98 Ų98106.4 Ų106.452%0.52460%0.599SS.*Hα-helixtrans-71.2-30.7179.4-73.4-13.9000113.7Q1650 H1651 I1657 T1658Q1650-N1654 WeakPolarHBondContact O-CB 3.41Å; Q1650-N1654 VanDerWaalsContact O-CG 3.23Å; Q1650-N1654 PolarHBondContact O-N 3.15Å; Q1650-N1654 PolarHBondContact O-ND2 3.24Å; H1651-N1654 PolarHBondContact O-N 3.38Å; N1654-I1657 PolarHBondContact O-N 2.93Å; N1654-T1658 PolarHBondContact O-OG1 3.2Å
1655K50.9Low55Low168 Ų168109.5 Ų109.573%0.7362%0.617SS**Hα-helixtrans-70.9-29.3173.9-83.6-174.4176.5-177.50113.3H1651 A1652 I1657 T1658H1651-K1655 PolarHBondContact O-N 2.87Å; A1652-K1655 PolarHBondContact O-N 3.15Å; K1655-I1657 VanDerWaalsContact C-N 3.27Å; K1655-I1657 PolarHBondContact O-N 3.39Å; K1655-T1658 PolarHBondContact O-OG1 2.82Å
1656T51.5Low52.1Low102 Ų102110.7 Ų110.763%0.62664%0.638SS**Hα-helixtrans-69.9-22.8172.926.30000113.5A1652 Q1653A1652-T1656 PolarHBondContact O-N 3.3Å; A1652-T1656 PolarHBondContact O-OG1 2.78Å; A1652-T1656 VanDerWaalsContact O-OG1 3.05Å; Q1653-T1656 WeakPolarHBondContact CA-OG1 3.34Å; Q1653-T1656 PolarHBondContact O-N 2.64Å; Q1653-T1656 PolarHBondContact O-OG1 3.29Å
1657I49.4Very low49Very low122 Ų122112.4 Ų112.463%0.62665%0.652SS**Hα-helixtrans-76-24.3-178.4-64.1168.6000112Q1653 N1654 K1655Q1653-I1657 WeakPolarHBondContact O-CG1 3.44Å; N1654-I1657 PolarHBondContact O-N 2.93Å; K1655-I1657 VanDerWaalsContact C-N 3.27Å; K1655-I1657 PolarHBondContact O-N 3.39Å
1658T38.1Very low46Very low114 Ų114112.7 Ų112.770%0.69966%0.661SS**THydrogen-bonded Turntrans-85-8.3-173.44.80000115.6N1654 K1655N1654-T1658 PolarHBondContact O-OG1 3.2Å; K1655-T1658 PolarHBondContact O-OG1 2.82Å
1659V42.5Very low43.1Very low132 Ų132112.4 Ų112.480%0.867%0.67SS**SBendtrans-107.5-4.6-176.3-176.60000113.1
1660A36.4Very low40.3Very low78 Ų78112.3 Ų112.365%0.64568%0.678SS**  trans-109.665.1-173.800000113
1661T28.8Very low37.4Very low123 Ų123113.1 Ų113.176%0.75569%0.69SS**  trans-14677.4166.923.10000111.6
1662T30.1Very low34.8Very low146 Ų146113.1 Ų113.190%0.89670%0.699SS**  trans-169.3123.8150.740.80000112.1
1663G27Very low32.5Very low68 Ų68117.1 Ų117.170%0.70172%0.717SS**  trans67.997.8143.300000118.3
1664T21.6Very low30.4Very low133 Ų133114.9 Ų114.982%0.81672%0.722SS**  68.3134.274.9-26.10000117.3
1665T21.9Very low28.5Very low126 Ų126115.8 Ų115.877%0.77374%0.736SS**  trans82.9101.1157.850.10000121.8
1666A23Very low27Very low86 Ų86116.8 Ų116.871%0.71174%0.74SS**  67.2149.1110.700000123.4
1667T20.3Very low25.7Very low127 Ų127118.8 Ų118.878%0.77975%0.747SS**  trans92.1113.3150.839.90000122.3
1668T19.8Very low24.4Very low113 Ų113120.2 Ų120.269%0.69375%0.754SS**  76.9107.5120.8-430000120.5
1669T21.2Very low23.6Very low118 Ų118118.7 Ų118.772%0.72475%0.753SS**  46.6152.9126.1-16.10000122.5
1670T19.4Very low22.6Very low118 Ų118119.9 Ų119.972%0.72475%0.754SS**  trans100.7104.3150.8500000121.4
1671T19Very low21.8Very low116 Ų116120.8 Ų120.871%0.71276%0.755SS**  58.9134.5120.29.10000124.6
1672T19.9Very low21.5Very low121 Ų121122.5 Ų122.574%0.74276%0.76SS**  trans86.6123.613346.10000124.3
1673V19.5Very low21.1Very low144 Ų144122.5 Ų122.587%0.87375%0.754SS**  trans86.4123.4131.4177.10000120.9
1674G19.5Very low20.8Very low59 Ų59123.9 Ų123.961%0.60875%0.753SS**  118.1108.3124.700000120.8
1675S19.5Very low20.8Very low117 Ų117122.7 Ų122.782%0.81875%0.75SS**  trans75.2120.5134.2-47.80000123.3
1676K19.9Very low20.8Very low189 Ų189123.5 Ų123.582%0.82276%0.755SS**  trans47.5113.8133.6-68.2-177.5175.9-179.40120.6
1677D23.5Very low20.6Very low144 Ų144123.8 Ų123.877%0.7775%0.752SS**  -178.4128.1106.2-89.8-23.8000113.7
1678I22.4Very low20.6Very low152 Ų152125.1 Ų125.178%0.77975%0.753SS**  trans64.9100.7138-54.6174.9000120.8
1679A19.8Very low20.6Very low82 Ų82125.1 Ų125.168%0.67876%0.758SS**  80.1117.6122.300000123.2
1680I21.4Very low20.6Very low158 Ų158126.4 Ų126.481%0.8176%0.759SS**  trans85.981.1149.6-52.5162.7000117.1
1681S19.6Very low20.6Very low96 Ų96125.8 Ų125.867%0.67176%0.76SS**  trans9.1119.5133.557.30000119.6
1682N22.8Very low20.7Very low159 Ų159126.2 Ų126.285%0.8577%0.766SS**  -168108.3118.3-94.5-12.3000111.5
1683D21.3Very low20.7Very low147 Ų147126.1 Ų126.179%0.78677%0.766SS**  trans-3.2119.8159.4-68.4-32.4000121.5
1684S22.3Very low20.8Very low96 Ų96122.9 Ų122.967%0.67176%0.761SS**  72.688.6122.474.20000118.9T1686S1684-T1686 PolarHBondContact O-N 3.49Å
1685S20Very low20.8Very low108 Ų108128.6 Ų128.676%0.75578%0.777SS**  trans-56.5103.5141.8510000111S1687S1685-S1687 VanDerWaalsContact C-N 3.32Å; S1685-S1687 PolarHBondContact O-N 3.48Å
1686T22.1Very low20.9Very low143 Ų143130.1 Ų130.188%0.87778%0.776SS**  trans-91.577.4149.520.90000107.9S1684S1684-T1686 PolarHBondContact O-N 3.49Å
1687S19.7Very low21Very low93 Ų93129.2 Ų129.265%0.6578%0.775SS**  trans-106.895.5165.151.50000107.1S1685S1685-S1687 VanDerWaalsContact C-N 3.32Å; S1685-S1687 PolarHBondContact O-N 3.48Å
1688L21.1Very low20.8Very low154 Ų154130.6 Ų130.681%0.80678%0.781SS**  trans-131.597.2166.4-85.2167.6000108.5
1689S18.6Very low20.7Very low114 Ų114128.8 Ų128.880%0.79778%0.779SS**  trans-57.8122.2153.9480000110
1690I21.9Very low20.7Very low144 Ų144132.9 Ų132.974%0.73878%0.784SS**  trans-128.1111157-61.5179.2000106.8
1691S19.4Very low20.7Very low106 Ų106134.8 Ų134.874%0.74179%0.79SS**  trans-65.5123.5171.745.70000111.1
1692C20.4Very low20.8Very low124 Ų124137.9 Ų137.984%0.83879%0.794SS**  trans-114.581.8163.2-68.60000108.8
1693T20.1Very low20.6Very low120 Ų120138.8 Ų138.874%0.73679%0.793SS**  trans-108.3107.715545.20000106.1
1694G21.6Very low20.5Very low76 Ų76140.9 Ų140.978%0.78480%0.798SS**  trans-178.659.4-174.800000110.7
1695L20.2Very low20.4Very low179 Ų179141.6 Ų141.694%0.93780%0.8SS**  trans-111.191.7158.2-80.4170.9000105.8
1696N20.5Very low20.4Very low149 Ų149144.8 Ų144.880%0.79780%0.803SS**  trans-142.6135.8154.3-107.62.2000106.8
1697E21.9Very low20.3Very low170 Ų170142.5 Ų142.579%0.79479%0.793SS**  trans78.779.6163.1-60.8172.3-171.400116.4P1699E1697-P1699 WeakPolarHBondContact O-CD 3.39Å
1698L19Very low20.3Very low173 Ų173144 Ų14491%0.90680%0.798SS**  trans-78.6112.5135-87.8157000107.1
1699P21.3Very low20.2Very low114 Ų114142.1 Ų142.174%0.7479%0.793SS**  trans-70.5131.8172.3-1228.1000109.9E1697E1697-P1699 WeakPolarHBondContact O-CD 3.39Å
1700Q20.1Very low20.2Very low168 Ų168142.2 Ų142.279%0.78579%0.789SS**  trans-70.2118.6167.3-66170.5-19.400109
1701E21.1Very low20.1Very low198 Ų198143.3 Ų143.393%0.92579%0.791SS**  trans-91.393158.7-80.2-174.5161.800108.4
1702Q20.6Very low20.1Very low160 Ų160144.6 Ų144.675%0.74879%0.79SS**  trans-82.9126160-77.7-178.2-1.800109.1
1703Q18.3Very low20.3Very low179 Ų179145.6 Ų145.684%0.83679%0.787SS**  trans7.8124.2134.6-62.4171.62.400116.5
1704Q19.5Very low20.3Very low190 Ų190147.8 Ų147.889%0.88879%0.788SS**  trans-166.4134.7130.8-108.616830.700111.6
1705P21.5Very low20.2Very low111 Ų111151.4 Ų151.472%0.72179%0.79SS**  trans-88.9174163.836.6-29.3000111.1
1706E19.4Very low20.2Very low176 Ų176145.9 Ų145.982%0.82278%0.776SS**  trans114.1101.7162-64.6-170.3172.500117.6
1707S19.9Very low20.3Very low95 Ų95146.1 Ų146.166%0.66478%0.777SS**  33.4127124.457.60000122
1708V19.9Very low20.2Very low125 Ų125144 Ų14476%0.75878%0.776SS**  78.499.7125.31790000118.4
1709T19Very low20.3Very low113 Ų113144 Ų14469%0.69377%0.773SS**  trans58.3123.5133.167.30000122.4
1710T19.2Very low20.2Very low117 Ų117144.7 Ų144.772%0.71877%0.771SS**  trans74.1117.5130.852.50000121.2
1711E19.8Very low20.2Very low167 Ų167142.3 Ų142.378%0.7877%0.767SS**  trans87.7109.5131.6-71.6-174.5177.900120.6
1712N19.8Very low20.1Very low133 Ų133137.9 Ų137.971%0.71176%0.759SS**  54.4113.1123.5-66.5-21000120.2
1713N23.2Very low20.2Very low145 Ų145139.6 Ų139.678%0.77577%0.767SS**  146.1111.5121.4-79-31.5000109.6
1714H20.2Very low20.3Very low165 Ų165134.5 Ų134.576%0.76476%0.762SS**  68.3121.391.2-96.858.9000115
1715N20.5Very low20.3Very low153 Ų153133 Ų13382%0.81876%0.759SS**  trans86.8122.8153.4-59.4-18.6000119.3
1716G20.3Very low20.2Very low63 Ų63133.8 Ų133.865%0.64976%0.757SS**  131.2108.5120.800000116.4
1717D21.7Very low20.4Very low153 Ų153134.2 Ų134.282%0.81876%0.759SS**  trans71.3109.1141.3-56.5-24.5000118.7
1718V19.4Very low20.4Very low127 Ų127136 Ų13677%0.7777%0.766SS**  60.4101.973.8-177.70000112
1719M21.3Very low20.6Very low173 Ų173135.3 Ų135.385%0.85276%0.764SS**  trans-177.6112132.2-85.9-139.2-162.800107.4
1720D20.4Very low20.8Very low128 Ų128137.2 Ų137.268%0.68477%0.77SS**  92.8108.477.4-121.1-21.5000112.9
1721T18.4Very low21Very low117 Ų117139.6 Ų139.672%0.71878%0.777SS**  trans28.6123.9138.957.10000120
1722S20.8Very low21.1Very low106 Ų106140.1 Ų140.174%0.74178%0.782SS**  165.3132.1110.949.40000114.7
1723Q21.1Very low21.2Very low196 Ų196141.4 Ų141.492%0.91679%0.788SS**  trans68.7121.9140-66.4-178.37.500122.2
1724G20.1Very low21.3Very low71 Ų71141.6 Ų141.673%0.73279%0.787SS**  126.9100.1117.800000118.9
1725L20.7Very low21.5Very low159 Ų159140 Ų14083%0.83279%0.785SS**  trans64.6120133.8-73.1152.5000122
1726D19.7Very low21.7Very low128 Ų128140.2 Ų140.268%0.68479%0.786SS**  trans37.9114.3133.3-65.6-22.1000120.1
1727H23.8Very low21.7Very low185 Ų185144.5 Ų144.586%0.85679%0.794SS**  175.6121.6115.2-91.1-60.9000111.4
1728T19.3Very low21.9Very low133 Ų133145.2 Ų145.282%0.81680%0.797SS**  trans-69.8143.1154.339.50000109.2
1729P23.8Very low22.1Very low109 Ų109144.1 Ų144.171%0.70880%0.802SS**  -151.615591.336.2-16.6000116.9
1730N22.2Very low22.2Very low154 Ų154140.6 Ų140.682%0.82480%0.8SS**  trans51.5102.7142.5-62.1-22000119.8
1731L23.9Very low22.3Very low166 Ų166138.4 Ų138.487%0.86981%0.808SS**  trans-124112.5148.3-139.987000109.3L1733L1731-L1733 PolarHBondContact O-N 2.98Å
1732M21.7Very low22.6Very low179 Ų179138.9 Ų138.988%0.88281%0.81SS**PPolyproline II helixtrans-64.7123.6172-70.9-178.9-178.600109.6
1733L23.1Very low22.6Very low160 Ų160138.3 Ų138.384%0.83881%0.812SS**PPolyproline II helixtrans-91122.2167-72.6164.5000108.1L1731L1731-L1733 PolarHBondContact O-N 2.98Å
1734I24.5Very low22.7Very low149 Ų149136 Ų13676%0.76480%0.804SS**PPolyproline II helixtrans-96129175.1-70.1171.5000107.4
1735D24.3Very low22.7Very low132 Ų132140 Ų14071%0.70681%0.809SS**PPolyproline II helixtrans-63.7125.5179.4-66-43.5000112
1736N24Very low22.8Very low157 Ų157138.3 Ų138.384%0.8481%0.805SS**  trans-100101.7169.2-80.8-27.5000108.7
1737D21.8Very low22.9Very low153 Ų153138 Ų13882%0.81881%0.81SS**  trans-113.396159.2-84.5-26.8000106.8
1738D24.7Very low22.9Very low167 Ų167135.6 Ų135.689%0.89381%0.809SS**SBendtrans-172.2112.3150.6-93.2-24000110.2
1739A24.4Very low23.1Very low104 Ų104136.1 Ų136.186%0.8681%0.812SS**  trans57.899.7152.100000120.2
1740A22.7Very low23.1Very low100 Ų100136.1 Ų136.183%0.82681%0.812SS**  trans-98.3105.7153.900000109.3
1741G23.5Very low23.2Very low81 Ų81134.7 Ų134.784%0.83581%0.811SS**  trans-82.5118.9166.900000109.8
1742V23.4Very low23.2Very low127 Ų127133.1 Ų133.177%0.7781%0.808SS**  trans-88.9115.8172.5174.50000107.8
1743A21.8Very low23.2Very low94 Ų94132 Ų13278%0.77780%0.804SS**  trans-72.8125.417000000109.4
1744I23.3Very low23.3Very low148 Ų148131.3 Ų131.376%0.75980%0.802SS**  trans-106.3116167.7-64.8177.8000107.1T1746I1744-T1746 PolarHBondContact O-N 3.47Å
1745D20.4Very low23.2Very low155 Ų155130.2 Ų130.283%0.82980%0.802SS**  trans-62.3121173.4-74.6-42.8000111.1
1746T22Very low23.1Very low123 Ų123131.4 Ų131.476%0.75581%0.808SS**  trans-130.1125.8151.843.50000109.6I1744I1744-T1746 PolarHBondContact O-N 3.47Å
1747P23Very low23.1Very low121 Ų121133.4 Ų133.479%0.78681%0.813SS**  trans-91.1123.6-172.834-30.5000111
1748T23.7Very low23.2Very low136 Ų136130.2 Ų130.283%0.83481%0.808SS**  trans-142.997.1159.939.70000109.9
1749T23.7Very low23Very low143 Ų143130 Ų13088%0.87781%0.807SS**PPolyproline II helixtrans-58.2125.1165.924.70000110.9
1750P23.3Very low23.1Very low110 Ų110129.7 Ų129.771%0.71480%0.804SS**PPolyproline II helixtrans-81.1149.8173.231.5-31.2000111.3T1752P1750-T1752 PolarHBondContact O-N 3.47Å
1751P24.9Very low23.1Very low124 Ų124132.4 Ų132.481%0.80580%0.804SS**PPolyproline II helixtrans-72.1127.2179.428.4-31.4000111.1I1753P1751-I1753 PolarHBondContact O-N 2.84Å
1752T22.2Very low23.1Very low132 Ų132135.7 Ų135.781%0.8180%0.803SS**  trans-60.7112.3168.5350000110.7P1750 N1754P1750-T1752 PolarHBondContact O-N 3.47Å; T1752-N1754 PolarHBondContact O-N 2.95Å
1753I23.6Very low23Very low155 Ų155135.1 Ų135.180%0.79580%0.804SS**  trans-82.6109.1159.9-65174.4000105.8P1751 T1755P1751-I1753 PolarHBondContact O-N 2.84Å; I1753-T1755 PolarHBondContact O-N 2.79Å; I1753-T1755 VanDerWaalsContact O-N 3.11Å
1754N23.7Very low23.1Very low147 Ų147136.6 Ų136.679%0.78680%0.803SS**  trans-58.9113.6172.5-88.4-18.9000109.3T1752 D1756T1752-N1754 PolarHBondContact O-N 2.95Å; N1754-D1756 PolarHBondContact O-N 3.43Å
1755T22Very low22.9Very low126 Ų126138.5 Ų138.577%0.77381%0.809SS**  trans-81.397.3165.747.70000108I1753I1753-T1755 PolarHBondContact O-N 2.79Å; I1753-T1755 VanDerWaalsContact O-N 3.11Å
1756D23.2Very low23.1Very low156 Ų156139.6 Ų139.683%0.83481%0.812SS**  trans-14992.1157.5-91-31.1000107.2N1754N1754-D1756 PolarHBondContact O-N 3.43Å
1757E24.3Very low23Very low199 Ų199139.6 Ų139.693%0.9381%0.811SS**  trans-170.9111.2132.4-103.4175.4-170.500109.2
1758A22.5Very low22.9Very low86 Ų86140.9 Ų140.971%0.71181%0.812SS**  trans-75.4158.5170.400000111.1
1759N22.2Very low22.8Very low164 Ų164140.9 Ų140.988%0.87781%0.812SS**  trans80.4102.5163.2-59.2-24.1000118
1760A26.3Very low22.9Very low97 Ų97145.4 Ų145.480%0.80283%0.831SS**  -165.9117.2117.500000110.5N1762A1760-N1762 PolarHBondContact O-N 3.45Å
1761D21.5Very low22.9Very low156 Ų156147.2 Ų147.283%0.83484%0.837SS**  trans-49.5130.7155.7-75.8-46.4000110.3
1762N24.9Very low22.8Very low151 Ų151148.4 Ų148.481%0.80784%0.838SS**  trans-165.2108.6138.3-96-31.1000110.6A1760 V1764A1760-N1762 PolarHBondContact O-N 3.45Å; N1762-V1764 PolarHBondContact O-N 2.91Å
1763S20.5Very low22.8Very low114 Ų114149.3 Ų149.380%0.79784%0.84SS**  trans-48.1121.315750.20000111.9
1764V23.5Very low22.8Very low125 Ų125149 Ų14976%0.75884%0.842SS**  trans-140110.7152.5178.80000108.1N1762N1762-V1764 PolarHBondContact O-N 2.91Å
1765E20.2Very low22.7Very low188 Ų188149.1 Ų149.188%0.87985%0.846SS**  trans-55.4128159.5-67.8172.4138.900109.4
1766M23.3Very low22.8Very low179 Ų179150.7 Ų150.788%0.88285%0.851SS**  trans-146.6129.6146-83.9-145.8-16000111.8
1767T20.9Very low22.7Very low122 Ų122150.3 Ų150.375%0.74885%0.852SS**  trans-59.8151.6175.845.20000115.2
1768D20.7Very low22.6Very low148 Ų148146.5 Ų146.579%0.79185%0.846SS**  trans16.1115.4144.3-64.4-24.2000117.9
1769T21.3Very low22.6Very low136 Ų136151.6 Ų151.683%0.83486%0.857SS**  -178.7139.6121.624.50000112.5
1770N26.3Very low22.6Very low239 Ų239150.5 Ų150.5100%1.27886%0.856SS**  trans86.50173.8-64.8-18.8000118.3

Retrieved 1,770 of 1,770 residues in 1038.4 ms (Link to these results)

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