A0A5K4F2T4_SCHMA Loading...

Fanconi anemia group I protein

AlphaFold DB , UniProt , Accession A0A5K4F2T4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,726 aa.

>A0A5K4F2T4_SCHMA|A0A5K4F2T4
MDTELENVLGNPNEVSKLLLNKSFQEIVNYFDKLLTSEKSNRFNSLEALLEGISKHEQLLEIYEHVVDSLWSEEVDTSVRLIFFSFLNNNLDFLEDWKVERLCFRMIRKLIYVCSEPSLLFDVLARALVKLENSNTVLSSMVDSLCSVEWHNENIICLLDILSNYSLQQKSMEKILEKSLSKITSWELDKLPVFIQSILLFSFPRYMEFLFLKLISLVYGSNSCPPESFEAIRGQLMMKIFSLVKANQHFGKTIFETVKCLSKSLIGSEFYYTVLMTLLPNRSTQSQATQLLTTSILTGFSDSHLVLESSFLRDLCRLPDDPKEIILKLSEHCTSKQWEFTVQGMILLGFTLLRAACSSSTGSTINKSSGRLSKSLSTSPFQTHNTLKSRILCSGLDLLLHIFKHCPGSRDEIITIIANLIWSESSRSIALYALDLLSNLVAVFPLEVAIRANRLDSIIDSIGLIPLSISTALVHALLPLIRAGSLLEIGYNVDSEKSDNPFNQVRMRLISNLCKAAQSPRIPSRCAAVACLILLLKHLKVPVLAFRSASQHSSSLSSLSQPFAYSQSQATQRNPLVLFSQLQSTQIAQQAVLLPCDIVQNEVLCTEIISILHRIIFSAFFRSQPGSLLADPENIVKSNIYWGLCEVVTRNRGLCEPVLNLYLRLLTGCLEPSFLKTLKRSSVQNSLNILPTQTNPTNVDFIHSPPFILNKLIDLNSVSNEILRTEHPDTLIWCLQLILTLPIFNLSWKRLHSHETSNSGSELSQISSDLSSQTASQFTQSTLDNSIRCGRSVAYHLFSKAVNLLISISDSLHLLSKEDFGLTTETDFSSSTVGKLNRDRVHLLINIYDACLEFELKDPLGCGVTHTNNNNLQSQFTNQNSAGQPAWIRIRQLFAKRLVLLNLLNGKHGGHVISSQNYGILSPLSRHGSDSRCGLLIMSLVSLSQANLKSILIASIKSDSVNPLACHVLQTISNRLNQFTHCAEGDIPCAYRDALISELGPIMKCVIRFYHYKIMRNENYSSLPSHTQSTNVTTTIGNSEDNELANQSDTSKTRPALTMSTSSAALQVINNGMTLALHYLGIQRLHKLCKIIYPVTNDPDYTEQMLNNNSDVPCDSEDNIDDESLESMIAEITPAQALSTFIKLVKSWVTKVLNPAGAANSSTQKLTAVNFPHAKDLVILLPLLVKLCRARASIGSEVTIPDVNKINPYSGLSRVLAWLLRLMRAPIPLRGSSEINSTNVLATSARVQLINQAIWLAHLIGSNSLSHNSQTPDTDLALDDLILALCNDLTTVLGNVADVKDISFVPDDKELTVTYPLVTRSSAVSILPLIYSSLKHSIHEYEWFLTNISIDYAGRLDIMNDGKGSKDDENKLDGNEKEESFCLRLIGLGEILAQLLQTALPAPSAHIDTLLEIGASVFNLLSRLTKYYLRIVRLKYGRFPVIFERLVRVYGREVAPRAYVLFSYIQNSESEKIKGLQENKNLKKKSNEKDDCEPKKSKSTGGISQALISRSIKDSRLIPQLIYAIEQYERFLMQLSKKSKINLMRNVKLSTARDFRINQAAVIAHLEQSTALSLSSLSDNSEPDEVDENSNNDVVNANNPIEREEEDPNCRSDNDDDEDKQRHSSHYQVDNHEVDDHVSDNENNVCDDISSHNLIHSTGIDEDVENISSNHLSKSRATVTPAWGRQVNPISQRRSALKRSLQSITNNNNNNTNQLIVDGKAKKRKI
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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
1M61.6Low64.3Low34 Ų3465.2 Ų65.217%0.16738%0.382CS..  0-80.80-71.8-60.8-109.100109.2T3 E4 L5 L19 K22 I27 Y30M1-T3 PolarHBondContact O-N 3.02Å; M1-E4 WeakPolarHBondContact CA-OE2 3.46Å; M1-E4 PolarHBondContact N-OE2 3.26Å; M1-E4 CarbonylContact O-C 3.46Å; M1-E4 WeakPolarHBondContact O-CA 3.5Å; M1-E4 WeakPolarHBondContact O-CB 3.35Å; M1-E4 PolarHBondContact O-N 3.06Å; M1-L5 PolarHBondContact O-N 2.97Å; M1-L19 HydrophobicContact CE-CD2 4.05Å; M1-K22 HydrophobicContact CE-CB 4.48Å; M1-K22 HydrophobicContact CE-CG 4.2Å; M1-K22 HydrophobicContact SD-CD 3.8Å; M1-K22 HydrophobicContact SD-CG 3.8Å; M1-I27 HydrophobicContact CE-CG1 4Å; M1-Y30 HydrophobicContact CB-CD1 3.78Å; M1-Y30 HydrophobicContact CB-CD2 3.63Å; M1-Y30 HydrophobicContact CB-CE1 4.14Å; M1-Y30 HydrophobicContact CB-CE2 4.02Å; M1-Y30 HydrophobicContact CB-CG 3.53Å; M1-Y30 HydrophobicContact CE-CD1 3.97Å; M1-Y30 HydrophobicContact CE-CG 4.27Å; M1-Y30 HydrophobicContact CG-CD1 4.3Å; M1-Y30 HydrophobicContact CG-CG 4.06Å
2D62.9Low64.3Low56 Ų5664 Ų6430%0.29938%0.377SS..Hα-helixtrans-36.8-68.3176.6-94-31.8000114.7E4 L5 E6 Y30 K39D2-E4 PolarHBondContact O-N 3Å; D2-L5 PolarHBondContact O-N 2.74Å; D2-E6 WeakPolarHBondContact O-CB 3.37Å; D2-E6 WeakPolarHBondContact O-CG 3.21Å; D2-E6 PolarHBondContact O-N 3.49Å; D2-Y30 WeakPolarHBondContact CA-OH 3.46Å; D2-Y30 HydrophobicContact CB-CE2 4.26Å; D2-Y30 VanDerWaalsContact OD1-CE2 3.25Å; D2-Y30 WeakPolarHBondContact OD1-CE2 3.48Å; D2-Y30 PolarHBondContact OD1-OH 2.86Å; D2-K39 IonicContact OD1-NZ 2.58Å; D2-K39 PolarHBondContact OD1-NZ 3.24Å; D2-K39 IonicContact OD2-NZ 2.92Å; D2-K39 PolarHBondContact OD2-NZ 2.79Å
3T66.5Low64.4Low100 Ų10066.3 Ų66.361%0.61339%0.387SS*.Hα-helixtrans-68.7-16.2-178.9490000114.4M1 N7M1-T3 PolarHBondContact O-N 3.02Å; T3-N7 WeakPolarHBondContact O-CB 3.4Å; T3-N7 PolarHBondContact O-ND2 3.02Å
4E65.7Low64.7Low71 Ų7168.3 Ų68.333%0.33239%0.391SS..Hα-helixtrans-84.1-38.8175.9-64.7172.6125.300110.1M1 D2 V8 L18 K22M1-E4 WeakPolarHBondContact CA-OE2 3.46Å; M1-E4 PolarHBondContact N-OE2 3.26Å; M1-E4 CarbonylContact O-C 3.46Å; M1-E4 WeakPolarHBondContact O-CA 3.5Å; M1-E4 WeakPolarHBondContact O-CB 3.35Å; M1-E4 PolarHBondContact O-N 3.06Å; D2-E4 PolarHBondContact O-N 3Å; E4-V8 WeakPolarHBondContact O-CG2 3.4Å; E4-L18 HydrophobicContact CB-CD1 3.93Å; E4-L18 HydrophobicContact CB-CD2 3.99Å; E4-L18 HydrophobicContact CB-CG 4.47Å; E4-L18 WeakPolarHBondContact O-CD1 3.44Å; E4-K22 VanDerWaalsContact CD-NZ 3.29Å; E4-K22 IonicContact OE1-NZ 2.93Å; E4-K22 PolarHBondContact OE1-NZ 2.92Å; E4-K22 WeakPolarHBondContact OE2-CE 3.17Å; E4-K22 IonicContact OE2-NZ 2.85Å; E4-K22 PolarHBondContact OE2-NZ 2.58Å
5L65.8Low65Low0 Ų063.9 Ų63.90%037%0.366CS..Hα-helixtrans-75.7-41.6176.4-13591.6000111.5M1 D2 N7 V8 L9 V15 Y30 S45 A48 L49M1-L5 PolarHBondContact O-N 2.97Å; D2-L5 PolarHBondContact O-N 2.74Å; L5-N7 PolarHBondContact O-N 3.28Å; L5-V8 CarbonylContact O-C 3.55Å; L5-V8 PolarHBondContact O-N 2.8Å; L5-L9 WeakPolarHBondContact O-CB 3.21Å; L5-L9 PolarHBondContact O-N 2.99Å; L5-V15 HydrophobicContact CD1-CG1 3.99Å; L5-V15 HydrophobicContact CG-CG1 4.4Å; L5-Y30 HydrophobicContact CD2-CE1 4.35Å; L5-S45 VanDerWaalsContact CD2-O 3.3Å; L5-S45 WeakPolarHBondContact CD2-O 3.49Å; L5-A48 HydrophobicContact CD2-CB 4.27Å; L5-L49 HydrophobicContact CD2-CB 4.3Å
6E65Low65.1Low81 Ų8160.3 Ų60.338%0.37935%0.345SS..Hα-helixtrans-63-27.4177.2-73.1-174136.500112.9D2 V8 L9 N41D2-E6 WeakPolarHBondContact O-CB 3.37Å; D2-E6 WeakPolarHBondContact O-CG 3.21Å; D2-E6 PolarHBondContact O-N 3.49Å; E6-V8 VanDerWaalsContact C-N 3.32Å; E6-L9 HydrophobicContact CG-CD1 4.38Å; E6-N41 PolarHBondContact OE1-ND2 3.47Å
7N64.2Low65.5Low140 Ų14064.6 Ų64.675%0.74936%0.359SS*.THydrogen-bonded Turntrans-77.6-12.3173.2-78.6-19.1000114.2T3 L5T3-N7 WeakPolarHBondContact O-CB 3.4Å; T3-N7 PolarHBondContact O-ND2 3.02Å; L5-N7 PolarHBondContact O-N 3.28Å
8V66.4Low65.8Low29 Ų2962.6 Ų62.618%0.17635%0.348CS..THydrogen-bonded Turntrans-127.4-5-170.3-1760000112.4E4 L5 E6 G10 N11 E14 V15 L18E4-V8 WeakPolarHBondContact O-CG2 3.4Å; L5-V8 CarbonylContact O-C 3.55Å; L5-V8 PolarHBondContact O-N 2.8Å; E6-V8 VanDerWaalsContact C-N 3.32Å; V8-G10 PolarHBondContact O-N 2.85Å; V8-N11 PolarHBondContact O-N 3.12Å; V8-N11 VanDerWaalsContact O-N 3.12Å; V8-E14 HydrophobicContact CG1-CB 3.32Å; V8-V15 HydrophobicContact CB-CG2 4.46Å; V8-V15 HydrophobicContact CG1-CG2 3.81Å; V8-L18 HydrophobicContact CB-CD1 4.23Å; V8-L18 HydrophobicContact CG2-CD1 3.87Å
9L61.1Low66.1Low63 Ų6359.4 Ų59.433%0.3333%0.33SS..THydrogen-bonded Turntrans-56.5104.4172.6-112.1162.4000110.6L5 E6 N44 A48L5-L9 WeakPolarHBondContact O-CB 3.21Å; L5-L9 PolarHBondContact O-N 2.99Å; E6-L9 HydrophobicContact CG-CD1 4.38Å; L9-N44 HydrophobicContact CD2-CB 3.99Å; L9-A48 HydrophobicContact CD2-CB 3.74Å; L9-A48 HydrophobicContact CG-CB 4.2Å
10G64.6Low66.3Low78 Ų7860.5 Ų60.580%0.80434%0.335SS*.THydrogen-bonded Turntrans131.8-12.9-17500000114.7V8V8-G10 PolarHBondContact O-N 2.85Å
11N63.1Low66.7Low65 Ų6564.4 Ų64.435%0.34836%0.355SS..  trans-13290.8178.8-166.7-2000111.9V8 N13 E14 V15V8-N11 PolarHBondContact O-N 3.12Å; V8-N11 VanDerWaalsContact O-N 3.12Å; N11-N13 PolarHBondContact O-N 2.93Å; N11-N13 VanDerWaalsContact O-N 3.1Å; N11-E14 HydrophobicContact CB-CB 4.27Å; N11-E14 HydrophobicContact CB-CG 4.44Å; N11-E14 WeakPolarHBondContact ND2-CG 3.4Å; N11-E14 PolarHBondContact ND2-OE2 3.48Å; N11-E14 WeakPolarHBondContact O-CA 3.39Å; N11-E14 PolarHBondContact O-N 3.43Å; N11-V15 PolarHBondContact O-N 2.57Å
12P64.4Low67.3Low51 Ų5164.3 Ų64.333%0.33135%0.353SS..Hα-helixtrans-62.9-25.3-170.123.1-33.6000113.8E14 V15 S16 E51P12-E14 VanDerWaalsContact C-N 3.32Å; P12-E14 PolarHBondContact O-N 3.2Å; P12-V15 PolarHBondContact O-N 3.46Å; P12-S16 WeakPolarHBondContact O-CB 3.43Å; P12-S16 PolarHBondContact O-N 3.17Å; P12-S16 PolarHBondContact O-OG 3.15Å; P12-E51 HydrophobicContact CB-CG 4.34Å
13N65.9Low68Low94 Ų9464.3 Ų64.350%0.50336%0.358SS..Hα-helixtrans-66.7-33171.9-79.8-48.5000112.7N11 S16 K17 K55N11-N13 PolarHBondContact O-N 2.93Å; N11-N13 VanDerWaalsContact O-N 3.1Å; N13-S16 PolarHBondContact O-OG 3.1Å; N13-K17 WeakPolarHBondContact O-CG 3.43Å; N13-K17 PolarHBondContact O-N 3.04Å; N13-K55 PolarHBondContact OD1-NZ 3.48Å
14E69.3Low68.5Low94 Ų9461.9 Ų61.944%0.43934%0.339SS..Hα-helixtrans-81.2-36.4174.7-68-177.4138.700111.6V8 N11 P12 S16 K17 L18V8-E14 HydrophobicContact CG1-CB 3.32Å; N11-E14 HydrophobicContact CB-CB 4.27Å; N11-E14 HydrophobicContact CB-CG 4.44Å; N11-E14 WeakPolarHBondContact ND2-CG 3.4Å; N11-E14 PolarHBondContact ND2-OE2 3.48Å; N11-E14 WeakPolarHBondContact O-CA 3.39Å; N11-E14 PolarHBondContact O-N 3.43Å; P12-E14 VanDerWaalsContact C-N 3.32Å; P12-E14 PolarHBondContact O-N 3.2Å; E14-S16 VanDerWaalsContact C-N 3.33Å; E14-S16 PolarHBondContact O-N 2.91Å; E14-K17 WeakPolarHBondContact O-CB 3.3Å; E14-K17 PolarHBondContact O-N 2.97Å; E14-L18 WeakPolarHBondContact O-CB 3.42Å; E14-L18 PolarHBondContact O-N 3.13Å
15V67.9Low69.1Low3 Ų363.5 Ų63.52%0.01835%0.347CS..Hα-helixtrans-60.1-43.8172.1-171.40000110.7L5 V8 N11 P12 K17 L18 L19 A48L5-V15 HydrophobicContact CD1-CG1 3.99Å; L5-V15 HydrophobicContact CG-CG1 4.4Å; V8-V15 HydrophobicContact CB-CG2 4.46Å; V8-V15 HydrophobicContact CG1-CG2 3.81Å; N11-V15 PolarHBondContact O-N 2.57Å; P12-V15 PolarHBondContact O-N 3.46Å; V15-K17 PolarHBondContact O-N 2.96Å; V15-L18 WeakPolarHBondContact O-CB 3.12Å; V15-L18 PolarHBondContact O-N 3.29Å; V15-L18 VanDerWaalsContact O-N 3.13Å; V15-L19 HydrophobicContact CG1-CD1 3.81Å; V15-L19 HydrophobicContact CG1-CG 4.46Å; V15-L19 WeakPolarHBondContact O-CG 3.46Å; V15-L19 PolarHBondContact O-N 3.11Å; V15-A48 WeakPolarHBondContact CG1-O 3.38Å
16S67.7Low69.6Low5 Ų567.1 Ų67.14%0.03536%0.363CS..Hα-helixtrans-63.8-37.6175.5670000113.4P12 N13 E14 L18 L20 G52P12-S16 WeakPolarHBondContact O-CB 3.43Å; P12-S16 PolarHBondContact O-N 3.17Å; P12-S16 PolarHBondContact O-OG 3.15Å; N13-S16 PolarHBondContact O-OG 3.1Å; E14-S16 VanDerWaalsContact C-N 3.33Å; E14-S16 PolarHBondContact O-N 2.91Å; S16-L18 VanDerWaalsContact C-N 3.32Å; S16-L18 PolarHBondContact O-N 2.97Å; S16-L20 VanDerWaalsContact O-CB 3.3Å; S16-L20 WeakPolarHBondContact O-CB 3.28Å; S16-L20 WeakPolarHBondContact O-CD1 3.45Å; S16-L20 VanDerWaalsContact O-CG 3.28Å; S16-L20 WeakPolarHBondContact O-CG 3.46Å; S16-L20 PolarHBondContact O-N 2.89Å; S16-G52 WeakPolarHBondContact CA-O 3.4Å; S16-G52 WeakPolarHBondContact CB-O 3.48Å
17K71.6Confident70.2Confident135 Ų13563.3 Ų63.359%0.58735%0.346SS*.Hα-helixtrans-65.2-33.8171.6-75.8173.1-179.3177.30112.8N13 E14 V15 N21N13-K17 WeakPolarHBondContact O-CG 3.43Å; N13-K17 PolarHBondContact O-N 3.04Å; E14-K17 WeakPolarHBondContact O-CB 3.3Å; E14-K17 PolarHBondContact O-N 2.97Å; V15-K17 PolarHBondContact O-N 2.96Å; K17-N21 PolarHBondContact O-ND2 2.91Å
18L71.2Confident70.8Confident28 Ų2857 Ų5715%0.14731%0.312CS..Hα-helixtrans-70-48.1179.8-156159.1000110E4 V8 E14 V15 S16 N21 K22E4-L18 HydrophobicContact CB-CD1 3.93Å; E4-L18 HydrophobicContact CB-CD2 3.99Å; E4-L18 HydrophobicContact CB-CG 4.47Å; E4-L18 WeakPolarHBondContact O-CD1 3.44Å; V8-L18 HydrophobicContact CB-CD1 4.23Å; V8-L18 HydrophobicContact CG2-CD1 3.87Å; E14-L18 WeakPolarHBondContact O-CB 3.42Å; E14-L18 PolarHBondContact O-N 3.13Å; V15-L18 WeakPolarHBondContact O-CB 3.12Å; V15-L18 PolarHBondContact O-N 3.29Å; V15-L18 VanDerWaalsContact O-N 3.13Å; S16-L18 VanDerWaalsContact C-N 3.32Å; S16-L18 PolarHBondContact O-N 2.97Å; L18-N21 PolarHBondContact O-N 2.21Å; L18-K22 HydrophobicContact CD2-CG 4.44Å; L18-K22 WeakPolarHBondContact O-CG 3.39Å
19L71.2Confident71.4Confident1 Ų159.5 Ų59.51%0.00533%0.325CS..Hα-helixtrans-67.2-36.1178.5-67.7162.1000112.6M1 V15 N21 K22 I27 L49 G52 I53 H56M1-L19 HydrophobicContact CE-CD2 4.05Å; V15-L19 HydrophobicContact CG1-CD1 3.81Å; V15-L19 HydrophobicContact CG1-CG 4.46Å; V15-L19 WeakPolarHBondContact O-CG 3.46Å; V15-L19 PolarHBondContact O-N 3.11Å; L19-N21 PolarHBondContact O-N 2.87Å; L19-N21 VanDerWaalsContact O-N 3.11Å; L19-K22 PolarHBondContact O-N 2.68Å; L19-I27 HydrophobicContact CD2-CD1 4.25Å; L19-I27 HydrophobicContact CD2-CG1 4.11Å; L19-L49 HydrophobicContact CD2-CD1 4.43Å; L19-G52 VanDerWaalsContact CD1-C 3.44Å; L19-I53 HydrophobicContact CD1-CG1 4.22Å; L19-H56 PolarHBondContact O-CD2 2.9Å; L19-H56 PolarHBondContact O-NE2 3.21Å
20L70.6Confident72.2Confident82 Ų8257 Ų5743%0.42931%0.311SS..THydrogen-bonded Turntrans-57.2-21.5171.9-86.8165.6000114S16S16-L20 VanDerWaalsContact O-CB 3.3Å; S16-L20 WeakPolarHBondContact O-CB 3.28Å; S16-L20 WeakPolarHBondContact O-CD1 3.45Å; S16-L20 VanDerWaalsContact O-CG 3.28Å; S16-L20 WeakPolarHBondContact O-CG 3.46Å; S16-L20 PolarHBondContact O-N 2.89Å
21N73.1Confident72.9Confident142 Ų14253.5 Ų53.576%0.75927%0.274SS*.THydrogen-bonded Turntrans-98.37.3176.4-67.4-43000113.5K17 L18 L19K17-N21 PolarHBondContact O-ND2 2.91Å; L18-N21 PolarHBondContact O-N 2.21Å; L19-N21 PolarHBondContact O-N 2.87Å; L19-N21 VanDerWaalsContact O-N 3.11Å
22K74.6Confident73.6Confident32 Ų3253 Ų5314%0.13927%0.271CS..SBendtrans-109.2142-178.5-64.6-68.6177.5-1700111.2M1 E4 L18 L19 E26 I27 H56M1-K22 HydrophobicContact CE-CB 4.48Å; M1-K22 HydrophobicContact CE-CG 4.2Å; M1-K22 HydrophobicContact SD-CD 3.8Å; M1-K22 HydrophobicContact SD-CG 3.8Å; E4-K22 VanDerWaalsContact CD-NZ 3.29Å; E4-K22 IonicContact OE1-NZ 2.93Å; E4-K22 PolarHBondContact OE1-NZ 2.92Å; E4-K22 WeakPolarHBondContact OE2-CE 3.17Å; E4-K22 IonicContact OE2-NZ 2.85Å; E4-K22 PolarHBondContact OE2-NZ 2.58Å; L18-K22 HydrophobicContact CD2-CG 4.44Å; L18-K22 WeakPolarHBondContact O-CG 3.39Å; L19-K22 PolarHBondContact O-N 2.68Å; K22-E26 HydrophobicContact CB-CB 4.4Å; K22-E26 HydrophobicContact CD-CB 4.5Å; K22-E26 WeakPolarHBondContact CD-OE2 3.47Å; K22-E26 IonicContact NZ-OE2 3.51Å; K22-I27 HydrophobicContact CB-CD1 4.34Å; K22-I27 HydrophobicContact CB-CG1 4.05Å; K22-H56 PolarHBondContact O-NE2 2.87Å
23S78.1Confident74.3Confident56 Ų5657.1 Ų57.139%0.39228%0.284SS..  trans-67.5148.6172.361.80000111.2Q25 E26 I27S23-Q25 PolarHBondContact O-N 3.22Å; S23-Q25 VanDerWaalsContact O-N 3.15Å; S23-E26 WeakPolarHBondContact CB-OE1 3.3Å; S23-E26 PolarHBondContact N-OE1 3.47Å; S23-E26 WeakPolarHBondContact O-CB 3.35Å; S23-E26 PolarHBondContact O-N 2.89Å; S23-E26 WeakPolarHBondContact OG-CG 3.21Å; S23-E26 PolarHBondContact OG-N 3.23Å; S23-E26 PolarHBondContact OG-OE1 3Å; S23-I27 PolarHBondContact O-N 3.3Å; S23-I27 VanDerWaalsContact O-N 3.11Å
24F77.2Confident74.6Confident49 Ų4952.9 Ų52.922%0.21526%0.261CS..Hα-helixtrans-47-42.2171.4164.8-104.7000112.4E26 I27 V28 E61 I62 H65F24-E26 PolarHBondContact O-N 2.8Å; F24-I27 PolarHBondContact O-N 3.42Å; F24-V28 HydrophobicContact CD2-CG2 3.96Å; F24-V28 HydrophobicContact CE1-CG2 4.06Å; F24-V28 HydrophobicContact CE2-CG2 3.43Å; F24-V28 VanDerWaalsContact CE2-CG2 3.43Å; F24-V28 HydrophobicContact CG-CG2 4.46Å; F24-V28 HydrophobicContact CZ-CG2 3.5Å; F24-V28 WeakPolarHBondContact O-CB 3.46Å; F24-V28 PolarHBondContact O-N 2.96Å; F24-E61 HydrophobicContact CD2-CB 3.94Å; F24-E61 VanDerWaalsContact CE2-C 3.48Å; F24-E61 HydrophobicContact CE2-CB 3.72Å; F24-E61 WeakPolarHBondContact CE2-O 3.42Å; F24-E61 HydrophobicContact CZ-CB 4.22Å; F24-I62 HydrophobicContact CD2-CG1 3.84Å; F24-I62 HydrophobicContact CE2-CG1 4.19Å; F24-H65 HydrophobicContact CE2-CB 4.49Å; F24-H65 HydrophobicContact CZ-CB 4.49Å
25Q77.8Confident74.7Confident106 Ų10650.6 Ų50.650%0.49525%0.252SS..Hα-helixtrans-66.6-32.7179-162.967.860.900113.2S23 N29S23-Q25 PolarHBondContact O-N 3.22Å; S23-Q25 VanDerWaalsContact O-N 3.15Å; Q25-N29 PolarHBondContact NE2-OD1 3.3Å; Q25-N29 WeakPolarHBondContact O-CB 3.36Å; Q25-N29 PolarHBondContact O-N 2.69Å; Q25-N29 PolarHBondContact O-ND2 3.03Å; Q25-N29 PolarHBondContact O-OD1 2.88Å
26E76.4Confident74.9Confident75 Ų7555.5 Ų55.535%0.3528%0.282SS..Hα-helixtrans-69.3-36.6171.6-78.5166.6-81.400112.4K22 S23 F24 Y30K22-E26 HydrophobicContact CB-CB 4.4Å; K22-E26 HydrophobicContact CD-CB 4.5Å; K22-E26 WeakPolarHBondContact CD-OE2 3.47Å; K22-E26 IonicContact NZ-OE2 3.51Å; S23-E26 WeakPolarHBondContact CB-OE1 3.3Å; S23-E26 PolarHBondContact N-OE1 3.47Å; S23-E26 WeakPolarHBondContact O-CB 3.35Å; S23-E26 PolarHBondContact O-N 2.89Å; S23-E26 WeakPolarHBondContact OG-CG 3.21Å; S23-E26 PolarHBondContact OG-N 3.23Å; S23-E26 PolarHBondContact OG-OE1 3Å; F24-E26 PolarHBondContact O-N 2.8Å; E26-Y30 WeakPolarHBondContact O-CB 3.37Å; E26-Y30 PolarHBondContact O-N 2.94Å; E26-Y30 VanDerWaalsContact O-N 3.13Å
27I76.8Confident75Confident1 Ų156.1 Ų56.11%0.00529%0.286CS..Hα-helixtrans-68-48.5177.1-62.8173.5000109.7M1 L19 K22 S23 F24 Y30 F31 I53 H56 I62M1-I27 HydrophobicContact CE-CG1 4Å; L19-I27 HydrophobicContact CD2-CD1 4.25Å; L19-I27 HydrophobicContact CD2-CG1 4.11Å; K22-I27 HydrophobicContact CB-CD1 4.34Å; K22-I27 HydrophobicContact CB-CG1 4.05Å; S23-I27 PolarHBondContact O-N 3.3Å; S23-I27 VanDerWaalsContact O-N 3.11Å; F24-I27 PolarHBondContact O-N 3.42Å; I27-Y30 PolarHBondContact O-N 3.15Å; I27-F31 WeakPolarHBondContact O-CB 3.35Å; I27-F31 PolarHBondContact O-N 3.34Å; I27-I53 HydrophobicContact CG2-CD1 3.92Å; I27-I53 HydrophobicContact CG2-CG1 4.31Å; I27-H56 WeakPolarHBondContact CD1-NE2 3.48Å; I27-I62 HydrophobicContact CD1-CD1 3.97Å; I27-I62 HydrophobicContact CG2-CD1 4.18Å; I27-I62 HydrophobicContact CG2-CG1 4.43Å; I27-I62 HydrophobicContact CG2-CG2 4.47Å
28V78.1Confident74.6Confident8 Ų858.9 Ų58.95%0.04830%0.301CS..Hα-helixtrans-59.7-53.8174.9163.50000111.8F24 Y30 F31 D32 H65F24-V28 HydrophobicContact CD2-CG2 3.96Å; F24-V28 HydrophobicContact CE1-CG2 4.06Å; F24-V28 HydrophobicContact CE2-CG2 3.43Å; F24-V28 VanDerWaalsContact CE2-CG2 3.43Å; F24-V28 HydrophobicContact CG-CG2 4.46Å; F24-V28 HydrophobicContact CZ-CG2 3.5Å; F24-V28 WeakPolarHBondContact O-CB 3.46Å; F24-V28 PolarHBondContact O-N 2.96Å; V28-Y30 PolarHBondContact O-N 3.11Å; V28-F31 PolarHBondContact O-N 2.65Å; V28-D32 WeakPolarHBondContact CG1-OD2 3.27Å; V28-D32 VanDerWaalsContact O-CG 3.31Å; V28-D32 PolarHBondContact O-N 3.48Å; V28-H65 VanDerWaalsContact CG1-CE1 3.42Å; V28-H65 WeakPolarHBondContact CG1-CE1 3.24Å; V28-H65 HydrophobicContact CG2-CB 4.17Å
29N78.9Confident74.2Confident82 Ų8261.9 Ų61.944%0.43931%0.313SS..Hα-helixtrans-61.9-15.8179-69-5.3000113.3Q25 K33Q25-N29 PolarHBondContact NE2-OD1 3.3Å; Q25-N29 WeakPolarHBondContact O-CB 3.36Å; Q25-N29 PolarHBondContact O-N 2.69Å; Q25-N29 PolarHBondContact O-ND2 3.03Å; Q25-N29 PolarHBondContact O-OD1 2.88Å; N29-K33 VanDerWaalsContact O-CD 3.28Å; N29-K33 WeakPolarHBondContact O-CD 3.4Å; N29-K33 VanDerWaalsContact O-CG 3.24Å; N29-K33 WeakPolarHBondContact O-CG 3.18Å
30Y77.7Confident73.7Confident9 Ų966.9 Ų66.94%0.03535%0.347CS..Hα-helixtrans-95.5-35.9173.7-171.2-123.9000112.6M1 D2 L5 E26 I27 V28 K33 L34 L49M1-Y30 HydrophobicContact CB-CD1 3.78Å; M1-Y30 HydrophobicContact CB-CD2 3.63Å; M1-Y30 HydrophobicContact CB-CE1 4.14Å; M1-Y30 HydrophobicContact CB-CE2 4.02Å; M1-Y30 HydrophobicContact CB-CG 3.53Å; M1-Y30 HydrophobicContact CE-CD1 3.97Å; M1-Y30 HydrophobicContact CE-CG 4.27Å; M1-Y30 HydrophobicContact CG-CD1 4.3Å; M1-Y30 HydrophobicContact CG-CG 4.06Å; D2-Y30 WeakPolarHBondContact CA-OH 3.46Å; D2-Y30 HydrophobicContact CB-CE2 4.26Å; D2-Y30 VanDerWaalsContact OD1-CE2 3.25Å; D2-Y30 WeakPolarHBondContact OD1-CE2 3.48Å; D2-Y30 PolarHBondContact OD1-OH 2.86Å; L5-Y30 HydrophobicContact CD2-CE1 4.35Å; E26-Y30 WeakPolarHBondContact O-CB 3.37Å; E26-Y30 PolarHBondContact O-N 2.94Å; E26-Y30 VanDerWaalsContact O-N 3.13Å; I27-Y30 PolarHBondContact O-N 3.15Å; V28-Y30 PolarHBondContact O-N 3.11Å; Y30-K33 CarbonylContact O-C 3.59Å; Y30-K33 WeakPolarHBondContact O-CB 3.32Å; Y30-K33 PolarHBondContact O-N 3.47Å; Y30-L34 HydrophobicContact CD1-CD1 4.03Å; Y30-L34 HydrophobicContact CE1-CD1 3.68Å; Y30-L34 HydrophobicContact CE1-CG 4.2Å; Y30-L34 HydrophobicContact CE2-CG 4.35Å; Y30-L34 WeakPolarHBondContact O-CG 3.26Å; Y30-L34 PolarHBondContact O-N 3.09Å; Y30-L49 HydrophobicContact CD1-CD1 3.57Å; Y30-L49 HydrophobicContact CE1-CD1 4.08Å
31F79Confident73.4Confident6 Ų666 Ų663%0.02634%0.344CS..Hα-helixtrans-61.2-48.5171.5176.3-105.5000111.7I27 V28 K33 L34 L35 L49 H65 V66 F83I27-F31 WeakPolarHBondContact O-CB 3.35Å; I27-F31 PolarHBondContact O-N 3.34Å; V28-F31 PolarHBondContact O-N 2.65Å; F31-K33 PolarHBondContact O-N 2.91Å; F31-L34 WeakPolarHBondContact O-CA 3.44Å; F31-L34 WeakPolarHBondContact O-CB 3.28Å; F31-L34 PolarHBondContact O-N 3.36Å; F31-L35 HydrophobicContact CD1-CD1 4.05Å; F31-L35 HydrophobicContact CE1-CD1 3.48Å; F31-L35 VanDerWaalsContact CE1-CD1 3.48Å; F31-L35 HydrophobicContact CE1-CG 4.28Å; F31-L35 HydrophobicContact CZ-CD1 3.74Å; F31-L35 HydrophobicContact CZ-CG 4.15Å; F31-L35 PolarHBondContact O-N 2.9Å; F31-L49 HydrophobicContact CD2-CD2 4.05Å; F31-H65 AromaticContact CD1-CD2 3.72Å; F31-V66 HydrophobicContact CE1-CG2 4.05Å; F31-V66 HydrophobicContact CE2-CG2 4.07Å; F31-V66 HydrophobicContact CZ-CB 4.39Å; F31-V66 HydrophobicContact CZ-CG1 4.37Å; F31-V66 HydrophobicContact CZ-CG2 3.78Å; F31-F83 AromaticContact CE2-CE1 3.5Å; F31-F83 HydrophobicContact CE2-CE1 3.5Å; F31-F83 AromaticContact CE2-CZ 3.6Å; F31-F83 HydrophobicContact CE2-CZ 3.6Å; F31-F83 AromaticContact CZ-CE1 3.54Å; F31-F83 HydrophobicContact CZ-CE1 3.54Å; F31-F83 AromaticContact CZ-CZ 3.61Å; F31-F83 HydrophobicContact CZ-CZ 3.61Å
32D78.4Confident73.3Confident54 Ų5462.4 Ų62.429%0.28932%0.319SS..Hα-helixtrans-62.5-31.8176.2-59.5-19.9000111.5V28 T36 H65V28-D32 WeakPolarHBondContact CG1-OD2 3.27Å; V28-D32 VanDerWaalsContact O-CG 3.31Å; V28-D32 PolarHBondContact O-N 3.48Å; D32-T36 WeakPolarHBondContact O-CB 3.14Å; D32-T36 WeakPolarHBondContact O-CG2 3.32Å; D32-T36 PolarHBondContact O-N 3.1Å; D32-T36 VanDerWaalsContact O-N 3.13Å; D32-T36 PolarHBondContact O-OG1 3.08Å; D32-H65 IonicContact OD1-CD2 3.6Å; D32-H65 IonicContact OD1-CE1 3.26Å; D32-H65 IonicContact OD1-NE2 3.95Å; D32-H65 PolarHBondContact OD1-NE2 2.83Å; D32-H65 IonicContact OD2-CE1 3.06Å; D32-H65 IonicContact OD2-NE2 3.75Å
33K77.8Confident73.2Confident138 Ų13863.7 Ų63.760%0.633%0.325SS*.Hα-helixtrans-73.6-27.8171.7-80.3179.6-177.2176.50113.9N29 Y30 F31 T36 S37N29-K33 VanDerWaalsContact O-CD 3.28Å; N29-K33 WeakPolarHBondContact O-CD 3.4Å; N29-K33 VanDerWaalsContact O-CG 3.24Å; N29-K33 WeakPolarHBondContact O-CG 3.18Å; Y30-K33 CarbonylContact O-C 3.59Å; Y30-K33 WeakPolarHBondContact O-CB 3.32Å; Y30-K33 PolarHBondContact O-N 3.47Å; F31-K33 PolarHBondContact O-N 2.91Å; K33-T36 WeakPolarHBondContact CA-OG1 3.19Å; K33-S37 WeakPolarHBondContact O-CB 3.48Å; K33-S37 PolarHBondContact O-N 2.59Å
34L72.3Confident72.9Confident5 Ų565.3 Ų65.33%0.02633%0.329CS..Hα-helixtrans-77.2-39.3174.9-76.6171000111.1Y30 F31 S37 L46 L49Y30-L34 HydrophobicContact CD1-CD1 4.03Å; Y30-L34 HydrophobicContact CE1-CD1 3.68Å; Y30-L34 HydrophobicContact CE1-CG 4.2Å; Y30-L34 HydrophobicContact CE2-CG 4.35Å; Y30-L34 WeakPolarHBondContact O-CG 3.26Å; Y30-L34 PolarHBondContact O-N 3.09Å; F31-L34 WeakPolarHBondContact O-CA 3.44Å; F31-L34 WeakPolarHBondContact O-CB 3.28Å; F31-L34 PolarHBondContact O-N 3.36Å; L34-S37 PolarHBondContact O-N 3.14Å; L34-L46 HydrophobicContact CB-CD1 4.36Å; L34-L46 HydrophobicContact CD1-CB 4.32Å; L34-L49 HydrophobicContact CD1-CD1 4.25Å
35L71.8Confident72.6Confident46 Ų4663.1 Ų63.124%0.24132%0.32CS..Hα-helixtrans-57.9-46.1170.4-76.8171.7000111.6F31 S37 F83F31-L35 HydrophobicContact CD1-CD1 4.05Å; F31-L35 HydrophobicContact CE1-CD1 3.48Å; F31-L35 VanDerWaalsContact CE1-CD1 3.48Å; F31-L35 HydrophobicContact CE1-CG 4.28Å; F31-L35 HydrophobicContact CZ-CD1 3.74Å; F31-L35 HydrophobicContact CZ-CG 4.15Å; F31-L35 PolarHBondContact O-N 2.9Å; L35-S37 VanDerWaalsContact C-N 3.3Å; L35-S37 PolarHBondContact O-N 3.29Å; L35-F83 HydrophobicContact CD2-CE2 4.36Å; L35-F83 HydrophobicContact CD2-CZ 4.12Å
36T71.9Confident72.4Confident106 Ų10658.3 Ų58.365%0.6530%0.298SS*.THydrogen-bonded Turntrans-83.27.3179.853.90000114.9D32 K33D32-T36 WeakPolarHBondContact O-CB 3.14Å; D32-T36 WeakPolarHBondContact O-CG2 3.32Å; D32-T36 PolarHBondContact O-N 3.1Å; D32-T36 VanDerWaalsContact O-N 3.13Å; D32-T36 PolarHBondContact O-OG1 3.08Å; K33-T36 WeakPolarHBondContact CA-OG1 3.19Å
37S69.9Low72.3Confident18 Ų1859.6 Ų59.613%0.12630%0.303CS..  trans-104120.2-172.9154.10000114K33 L34 L35 K39 R42K33-S37 WeakPolarHBondContact O-CB 3.48Å; K33-S37 PolarHBondContact O-N 2.59Å; L34-S37 PolarHBondContact O-N 3.14Å; L35-S37 VanDerWaalsContact C-N 3.3Å; L35-S37 PolarHBondContact O-N 3.29Å; S37-K39 VanDerWaalsContact C-N 3.25Å; S37-K39 PolarHBondContact O-N 2.71Å; S37-K39 WeakPolarHBondContact OG-CB 3.26Å; S37-K39 WeakPolarHBondContact OG-CG 3.28Å; S37-K39 PolarHBondContact OG-N 3.43Å; S37-R42 WeakPolarHBondContact O-CD 3.25Å
38E62.9Low72.1Confident192 Ų19260 Ų6090%0.89731%0.307SS*.  trans-75.4-0.4171.2-60-172146.900114.8S40E38-S40 PolarHBondContact O-N 2.82Å
39K63.3Low71.9Confident92 Ų9259.6 Ų59.640%0.430%0.304SS..  trans-55.9139.4-179.6-64.8179.9-174.6-177.90111.8D2 S37 N41 R42D2-K39 IonicContact OD1-NZ 2.58Å; D2-K39 PolarHBondContact OD1-NZ 3.24Å; D2-K39 IonicContact OD2-NZ 2.92Å; D2-K39 PolarHBondContact OD2-NZ 2.79Å; S37-K39 VanDerWaalsContact C-N 3.25Å; S37-K39 PolarHBondContact O-N 2.71Å; S37-K39 WeakPolarHBondContact OG-CB 3.26Å; S37-K39 WeakPolarHBondContact OG-CG 3.28Å; S37-K39 PolarHBondContact OG-N 3.43Å; K39-N41 PolarHBondContact O-N 3.44Å; K39-N41 VanDerWaalsContact O-N 3.14Å; K39-R42 VanDerWaalsContact O-CB 3.24Å; K39-R42 WeakPolarHBondContact O-CB 3.46Å; K39-R42 WeakPolarHBondContact O-CG 3.3Å; K39-R42 PolarHBondContact O-N 3.24Å
40S61Low71.7Confident105 Ų10555.8 Ų55.873%0.73428%0.284SS*.THydrogen-bonded Turntrans-55.1-34.7176.157.40000113.6E38 R42E38-S40 PolarHBondContact O-N 2.82Å; S40-R42 PolarHBondContact O-N 2.7Å
41N65Low71.4Confident65 Ų6560.6 Ų60.635%0.34831%0.307SS..THydrogen-bonded Turntrans-76.2-1.6-179.9-64-3.3000113.4E6 K39 F43 N44 S45E6-N41 PolarHBondContact OE1-ND2 3.47Å; K39-N41 PolarHBondContact O-N 3.44Å; K39-N41 VanDerWaalsContact O-N 3.14Å; N41-F43 PolarHBondContact O-N 3.09Å; N41-F43 VanDerWaalsContact O-N 3.09Å; N41-N44 PolarHBondContact O-N 2.96Å; N41-S45 PolarHBondContact O-N 2.82Å; N41-S45 PolarHBondContact O-OG 3.14Å
42R71.3Confident71Confident65 Ų6560.4 Ų60.425%0.24531%0.307CS..Hα-helixtrans-50.3-41.5-173.572178.9-165.3173.63.8112.8S37 K39 S40 L46 D76S37-R42 WeakPolarHBondContact O-CD 3.25Å; K39-R42 VanDerWaalsContact O-CB 3.24Å; K39-R42 WeakPolarHBondContact O-CB 3.46Å; K39-R42 WeakPolarHBondContact O-CG 3.3Å; K39-R42 PolarHBondContact O-N 3.24Å; S40-R42 PolarHBondContact O-N 2.7Å; R42-L46 WeakPolarHBondContact O-CB 3.39Å; R42-L46 PolarHBondContact O-N 3.07Å; R42-D76 IonicContact CZ-OD2 3.84Å; R42-D76 IonicContact NH2-OD2 2.79Å; R42-D76 PolarHBondContact NH2-OD2 2.58Å
43F70.9Confident70.8Confident60 Ų6057.9 Ų57.926%0.26329%0.293SS..Hα-helixtrans-65.2-56.9-179.2-63.9-78000111.3N41 S45 L46 E47 S78 V79 I82N41-F43 PolarHBondContact O-N 3.09Å; N41-F43 VanDerWaalsContact O-N 3.09Å; F43-S45 VanDerWaalsContact C-N 3.31Å; F43-S45 PolarHBondContact O-N 2.69Å; F43-L46 PolarHBondContact O-N 3.23Å; F43-L46 VanDerWaalsContact O-N 3.16Å; F43-E47 WeakPolarHBondContact O-CB 3.09Å; F43-E47 PolarHBondContact O-N 3.44Å; F43-S78 WeakPolarHBondContact CE1-OG 3.49Å; F43-S78 WeakPolarHBondContact CZ-OG 3.23Å; F43-V79 HydrophobicContact CD1-CG2 3.86Å; F43-V79 HydrophobicContact CE1-CG2 3.47Å; F43-V79 VanDerWaalsContact CE1-CG2 3.47Å; F43-V79 HydrophobicContact CZ-CG2 4.47Å; F43-I82 HydrophobicContact CB-CD1 4.34Å; F43-I82 HydrophobicContact CD1-CD1 4.07Å
44N72.4Confident70.4Confident89 Ų8953.2 Ų53.248%0.47628%0.278SS..Hα-helixtrans-61.1-41-178.2-56.523.1000111.3L9 N41 A48L9-N44 HydrophobicContact CD2-CB 3.99Å; N41-N44 PolarHBondContact O-N 2.96Å; N44-A48 WeakPolarHBondContact O-CB 3.29Å; N44-A48 PolarHBondContact O-N 2.75Å
45S70.4Confident70.4Confident3 Ų358.2 Ų58.22%0.02130%0.3CS..Hα-helixtrans-67.9-36.3177.4-62.60000112.7L5 N41 F43 L49L5-S45 VanDerWaalsContact CD2-O 3.3Å; L5-S45 WeakPolarHBondContact CD2-O 3.49Å; N41-S45 PolarHBondContact O-N 2.82Å; N41-S45 PolarHBondContact O-OG 3.14Å; F43-S45 VanDerWaalsContact C-N 3.31Å; F43-S45 PolarHBondContact O-N 2.69Å; S45-L49 WeakPolarHBondContact O-CB 3.2Å; S45-L49 PolarHBondContact O-N 3.09Å
46L74.3Confident70.5Confident6 Ų656.9 Ų56.93%0.03129%0.292CS..Hα-helixtrans-74.7-40177.1-167.9156.9000111.2L34 R42 F43 L49 L50 V79 I82 F83L34-L46 HydrophobicContact CB-CD1 4.36Å; L34-L46 HydrophobicContact CD1-CB 4.32Å; R42-L46 WeakPolarHBondContact O-CB 3.39Å; R42-L46 PolarHBondContact O-N 3.07Å; F43-L46 PolarHBondContact O-N 3.23Å; F43-L46 VanDerWaalsContact O-N 3.16Å; L46-L49 PolarHBondContact O-N 3.32Å; L46-L50 HydrophobicContact CD2-CD1 3.52Å; L46-L50 HydrophobicContact CD2-CG 4.11Å; L46-L50 WeakPolarHBondContact O-CB 3.25Å; L46-L50 VanDerWaalsContact O-CG 3.29Å; L46-L50 WeakPolarHBondContact O-CG 3.32Å; L46-L50 PolarHBondContact O-N 2.92Å; L46-V79 HydrophobicContact CD1-CG1 4.04Å; L46-V79 HydrophobicContact CD2-CG1 3.94Å; L46-I82 HydrophobicContact CD2-CG2 4.01Å; L46-F83 HydrophobicContact CD1-CE2 4.5Å; L46-F83 HydrophobicContact CD1-CZ 4.18Å; L46-F83 HydrophobicContact CD2-CE1 4.38Å; L46-F83 HydrophobicContact CD2-CE2 4.4Å; L46-F83 HydrophobicContact CD2-CZ 4.11Å
47E74.1Confident70.6Confident101 Ų10160.3 Ų60.347%0.47230%0.301SS..Hα-helixtrans-62.2-50.8173-175.1167.1-13900111.6F43 L49 L50 E51 I82F43-E47 WeakPolarHBondContact O-CB 3.09Å; F43-E47 PolarHBondContact O-N 3.44Å; E47-L49 VanDerWaalsContact C-N 3.34Å; E47-L49 PolarHBondContact O-N 2.94Å; E47-L50 PolarHBondContact O-N 2.88Å; E47-E51 WeakPolarHBondContact O-CB 3.31Å; E47-E51 PolarHBondContact O-N 3.16Å; E47-I82 HydrophobicContact CB-CD1 4.39Å; E47-I82 HydrophobicContact CB-CG2 3.84Å; E47-I82 HydrophobicContact CG-CG2 4.14Å
48A72.2Confident70.9Confident9 Ų962.7 Ų62.77%0.07431%0.31CS..Hα-helixtrans-63.5-37.7177.100000112.5L5 L9 V15 N44 G52L5-A48 HydrophobicContact CD2-CB 4.27Å; L9-A48 HydrophobicContact CD2-CB 3.74Å; L9-A48 HydrophobicContact CG-CB 4.2Å; V15-A48 WeakPolarHBondContact CG1-O 3.38Å; N44-A48 WeakPolarHBondContact O-CB 3.29Å; N44-A48 PolarHBondContact O-N 2.75Å; A48-G52 PolarHBondContact O-N 3.17Å
49L74.5Confident71.7Confident0 Ų054.4 Ų54.40%027%0.271CS..Hα-helixtrans-60.8-52.6173.3174.7127000110.7L5 L19 Y30 F31 L34 S45 L46 E47 G52 I53L5-L49 HydrophobicContact CD2-CB 4.3Å; L19-L49 HydrophobicContact CD2-CD1 4.43Å; Y30-L49 HydrophobicContact CD1-CD1 3.57Å; Y30-L49 HydrophobicContact CE1-CD1 4.08Å; F31-L49 HydrophobicContact CD2-CD2 4.05Å; L34-L49 HydrophobicContact CD1-CD1 4.25Å; S45-L49 WeakPolarHBondContact O-CB 3.2Å; S45-L49 PolarHBondContact O-N 3.09Å; L46-L49 PolarHBondContact O-N 3.32Å; E47-L49 VanDerWaalsContact C-N 3.34Å; E47-L49 PolarHBondContact O-N 2.94Å; L49-G52 PolarHBondContact O-N 3.05Å; L49-I53 HydrophobicContact CD2-CD1 3.51Å; L49-I53 HydrophobicContact CG-CD1 3.66Å; L49-I53 WeakPolarHBondContact O-CB 3.34Å; L49-I53 VanDerWaalsContact O-CD1 3.32Å; L49-I53 WeakPolarHBondContact O-CD1 3.5Å; L49-I53 WeakPolarHBondContact O-CG1 3.1Å; L49-I53 PolarHBondContact O-N 3.36Å
50L73.8Confident72.5Confident2 Ų250.5 Ų50.51%0.0126%0.255CS..Hα-helixtrans-66.4-39.5-178.8-70.4-174.9000112.8L46 E47 I53 V66 I82 F83 F86L46-L50 HydrophobicContact CD2-CD1 3.52Å; L46-L50 HydrophobicContact CD2-CG 4.11Å; L46-L50 WeakPolarHBondContact O-CB 3.25Å; L46-L50 VanDerWaalsContact O-CG 3.29Å; L46-L50 WeakPolarHBondContact O-CG 3.32Å; L46-L50 PolarHBondContact O-N 2.92Å; E47-L50 PolarHBondContact O-N 2.88Å; L50-I53 HydrophobicContact CD2-CD1 4.04Å; L50-I53 PolarHBondContact O-N 2.8Å; L50-V66 HydrophobicContact CD2-CG2 4.42Å; L50-I82 HydrophobicContact CD1-CG2 4.29Å; L50-F83 HydrophobicContact CD1-CD1 3.82Å; L50-F83 HydrophobicContact CD1-CE1 3.92Å; L50-F86 HydrophobicContact CB-CB 3.91Å; L50-F86 HydrophobicContact CB-CD2 3.61Å; L50-F86 HydrophobicContact CB-CE2 4.28Å; L50-F86 HydrophobicContact CB-CG 3.76Å; L50-F86 HydrophobicContact CD1-CB 3.73Å; L50-F86 HydrophobicContact CD1-CD1 4.14Å; L50-F86 HydrophobicContact CD1-CG 3.9Å; L50-F86 HydrophobicContact CD2-CD1 3.75Å; L50-F86 HydrophobicContact CD2-CD2 4.03Å; L50-F86 HydrophobicContact CD2-CE1 3.86Å; L50-F86 HydrophobicContact CD2-CE2 4.12Å; L50-F86 HydrophobicContact CD2-CG 3.84Å; L50-F86 HydrophobicContact CD2-CZ 4.05Å; L50-F86 HydrophobicContact CG-CB 4.28Å; L50-F86 HydrophobicContact CG-CD1 4.36Å; L50-F86 HydrophobicContact CG-CD2 4.26Å; L50-F86 HydrophobicContact CG-CG 4.03Å; L50-F86 WeakPolarHBondContact O-CD2 3.08Å; L50-F86 VanDerWaalsContact O-CE2 3.27Å; L50-F86 WeakPolarHBondContact O-CE2 3.46Å
51E72.8Confident73.6Confident111 Ų11148.8 Ų48.852%0.51924%0.235SC..Hα-helixtrans-63.4-43.9174.1-172-177.7-153.100111.1P12 E47 S54P12-E51 HydrophobicContact CB-CG 4.34Å; E47-E51 WeakPolarHBondContact O-CB 3.31Å; E47-E51 PolarHBondContact O-N 3.16Å; E51-S54 WeakPolarHBondContact O-CB 3.42Å; E51-S54 PolarHBondContact O-N 2.92Å; E51-S54 PolarHBondContact O-OG 2.8Å
52G69.9Low74.3Confident2 Ų246 Ų462%0.02122%0.22CC..Hα-helixtrans-71.9-25.8179.500000114.7S16 L19 A48 L49 S54S16-G52 WeakPolarHBondContact CA-O 3.4Å; S16-G52 WeakPolarHBondContact CB-O 3.48Å; L19-G52 VanDerWaalsContact CD1-C 3.44Å; A48-G52 PolarHBondContact O-N 3.17Å; L49-G52 PolarHBondContact O-N 3.05Å; G52-S54 PolarHBondContact O-N 3.21Å
53I75.4Confident74.9Confident0 Ų042.9 Ų42.90%021%0.208CC..Hα-helixtrans-63-24.6176.9-84.2159.1000112.2L19 I27 L49 L50 K55 H56 L59 I62 F86L19-I53 HydrophobicContact CD1-CG1 4.22Å; I27-I53 HydrophobicContact CG2-CD1 3.92Å; I27-I53 HydrophobicContact CG2-CG1 4.31Å; L49-I53 HydrophobicContact CD2-CD1 3.51Å; L49-I53 HydrophobicContact CG-CD1 3.66Å; L49-I53 WeakPolarHBondContact O-CB 3.34Å; L49-I53 VanDerWaalsContact O-CD1 3.32Å; L49-I53 WeakPolarHBondContact O-CD1 3.5Å; L49-I53 WeakPolarHBondContact O-CG1 3.1Å; L49-I53 PolarHBondContact O-N 3.36Å; L50-I53 HydrophobicContact CD2-CD1 4.04Å; L50-I53 PolarHBondContact O-N 2.8Å; I53-K55 PolarHBondContact O-N 3.13Å; I53-H56 VanDerWaalsContact O-CB 3.32Å; I53-H56 WeakPolarHBondContact O-CB 3.48Å; I53-H56 PolarHBondContact O-N 2.98Å; I53-L59 HydrophobicContact CG2-CD1 3.49Å; I53-L59 VanDerWaalsContact CG2-CD1 3.49Å; I53-I62 HydrophobicContact CD1-CG2 3.86Å; I53-I62 HydrophobicContact CG1-CD1 4.26Å; I53-I62 HydrophobicContact CG1-CG2 4.44Å; I53-I62 HydrophobicContact CG2-CB 4.39Å; I53-I62 HydrophobicContact CG2-CD1 4.01Å; I53-I62 HydrophobicContact CG2-CG2 3.98Å; I53-F86 HydrophobicContact CB-CE2 4.2Å; I53-F86 HydrophobicContact CG2-CE2 3.74Å; I53-F86 HydrophobicContact CG2-CZ 3.76Å
54S68.9Low75.5Confident40 Ų4040.3 Ų40.328%0.2820%0.197SC..THydrogen-bonded Turntrans-51.3-19.5-174.556.30000116.5E51 G52 N90E51-S54 WeakPolarHBondContact O-CB 3.42Å; E51-S54 PolarHBondContact O-N 2.92Å; E51-S54 PolarHBondContact O-OG 2.8Å; G52-S54 PolarHBondContact O-N 3.21Å; S54-N90 WeakPolarHBondContact CB-OD1 3.49Å
55K71.1Confident76.1Confident111 Ų11138 Ų3848%0.48318%0.184SC..THydrogen-bonded Turntrans-110.33.5178.8-60.4176.2-168.7159.90114.5N13 I53N13-K55 PolarHBondContact OD1-NZ 3.48Å; I53-K55 PolarHBondContact O-N 3.13Å
56H74.1Confident76.7Confident18 Ų1838 Ų388%0.08318%0.183CC..  trans-72.5138.9-175.6-162.9-89.1000111.7L19 K22 I27 I53 Q58 L59 I62L19-H56 PolarHBondContact O-CD2 2.9Å; L19-H56 PolarHBondContact O-NE2 3.21Å; K22-H56 PolarHBondContact O-NE2 2.87Å; I27-H56 WeakPolarHBondContact CD1-NE2 3.48Å; I53-H56 VanDerWaalsContact O-CB 3.32Å; I53-H56 WeakPolarHBondContact O-CB 3.48Å; I53-H56 PolarHBondContact O-N 2.98Å; H56-Q58 WeakPolarHBondContact CE1-CB 3.3Å; H56-Q58 WeakPolarHBondContact CE1-CG 3.43Å; H56-Q58 PolarHBondContact CE1-OE1 2.89Å; H56-Q58 WeakPolarHBondContact ND1-CB 3.45Å; H56-Q58 PolarHBondContact ND1-N 3.17Å; H56-Q58 PolarHBondContact O-N 2.86Å; H56-L59 VanDerWaalsContact O-CB 3.26Å; H56-L59 WeakPolarHBondContact O-CB 3.41Å; H56-L59 PolarHBondContact O-N 3.05Å; H56-L59 VanDerWaalsContact O-N 3.09Å; H56-I62 HydrophobicContact CB-CD1 4.16Å
57E74.7Confident77.1Confident178 Ų17837.7 Ų37.783%0.83218%0.182SC*.THydrogen-bonded Turntrans-60.4-36.6-179.8-64.8-168.8142.800112.1L59E57-L59 VanDerWaalsContact C-N 3.26Å; E57-L59 PolarHBondContact O-N 3.15Å
58Q76.6Confident77.6Confident68 Ų6834.3 Ų34.332%0.31817%0.167SC..THydrogen-bonded Turntrans-89.824.1178.9-53.8178.1-89.500112.3H56 L60 E61 I62H56-Q58 WeakPolarHBondContact CE1-CB 3.3Å; H56-Q58 WeakPolarHBondContact CE1-CG 3.43Å; H56-Q58 PolarHBondContact CE1-OE1 2.89Å; H56-Q58 WeakPolarHBondContact ND1-CB 3.45Å; H56-Q58 PolarHBondContact ND1-N 3.17Å; H56-Q58 PolarHBondContact O-N 2.86Å; Q58-L60 PolarHBondContact O-N 3.31Å; Q58-L60 VanDerWaalsContact O-N 3.1Å; Q58-E61 HydrophobicContact CB-CB 4.36Å; Q58-E61 HydrophobicContact CB-CG 4.49Å; Q58-E61 PolarHBondContact NE2-OE2 3.28Å; Q58-E61 PolarHBondContact O-N 3.44Å; Q58-I62 PolarHBondContact O-N 3.31Å; Q58-I62 VanDerWaalsContact O-N 3.14Å
59L78.8Confident78Confident17 Ų1734.5 Ų34.59%0.08917%0.168CC..Hα-helixtrans-47.9-41.1180176.863.6000113I53 H56 E57 I62 Y63 F86 L94I53-L59 HydrophobicContact CG2-CD1 3.49Å; I53-L59 VanDerWaalsContact CG2-CD1 3.49Å; H56-L59 VanDerWaalsContact O-CB 3.26Å; H56-L59 WeakPolarHBondContact O-CB 3.41Å; H56-L59 PolarHBondContact O-N 3.05Å; H56-L59 VanDerWaalsContact O-N 3.09Å; E57-L59 VanDerWaalsContact C-N 3.26Å; E57-L59 PolarHBondContact O-N 3.15Å; L59-I62 PolarHBondContact O-N 2.92Å; L59-Y63 HydrophobicContact CD1-CD2 3.77Å; L59-Y63 HydrophobicContact CD1-CE2 3.89Å; L59-Y63 HydrophobicContact CG-CD2 4.01Å; L59-Y63 HydrophobicContact CG-CE2 4.24Å; L59-Y63 WeakPolarHBondContact O-CB 3.45Å; L59-Y63 PolarHBondContact O-N 3.45Å; L59-F86 HydrophobicContact CD1-CZ 4.32Å; L59-L94 HydrophobicContact CD2-CD2 3.74Å; L59-L94 HydrophobicContact CD2-CG 4.22Å; L59-L94 HydrophobicContact CG-CD2 4.01Å
60L81.5Confident78.4Confident10 Ų1034.6 Ų34.65%0.05217%0.168CC..Hα-helixtrans-62.6-42.9177.1173.562000112.2Q58 I62 Y63 E64 W97 K98 R101 L102Q58-L60 PolarHBondContact O-N 3.31Å; Q58-L60 VanDerWaalsContact O-N 3.1Å; L60-I62 VanDerWaalsContact C-N 3.28Å; L60-I62 PolarHBondContact O-N 2.91Å; L60-Y63 WeakPolarHBondContact O-CB 3.43Å; L60-Y63 PolarHBondContact O-N 3.29Å; L60-E64 HydrophobicContact CD1-CG 4.07Å; L60-E64 HydrophobicContact CG-CG 4.37Å; L60-E64 WeakPolarHBondContact O-CB 3.38Å; L60-E64 VanDerWaalsContact O-CG 3.3Å; L60-E64 WeakPolarHBondContact O-CG 3.36Å; L60-E64 PolarHBondContact O-N 3.25Å; L60-W97 HydrophobicContact CD2-CZ3 4.26Å; L60-K98 HydrophobicContact CB-CB 4.42Å; L60-K98 HydrophobicContact CB-CG 4.45Å; L60-K98 HydrophobicContact CD1-CB 4.29Å; L60-K98 WeakPolarHBondContact CD1-O 3.3Å; L60-K98 HydrophobicContact CD2-CB 4.04Å; L60-K98 HydrophobicContact CD2-CG 4.09Å; L60-K98 HydrophobicContact CG-CB 4.48Å; L60-R101 HydrophobicContact CD2-CB 4.27Å; L60-R101 HydrophobicContact CD2-CG 4.2Å; L60-L102 HydrophobicContact CD1-CB 4.03Å
61E82.3Confident79Confident69 Ų6935 Ų3532%0.32217%0.17SC..Hα-helixtrans-68.5-34.1-177.9-57.2-178152.600110.6F24 Q58 E64 H65F24-E61 HydrophobicContact CD2-CB 3.94Å; F24-E61 VanDerWaalsContact CE2-C 3.48Å; F24-E61 HydrophobicContact CE2-CB 3.72Å; F24-E61 WeakPolarHBondContact CE2-O 3.42Å; F24-E61 HydrophobicContact CZ-CB 4.22Å; Q58-E61 HydrophobicContact CB-CB 4.36Å; Q58-E61 HydrophobicContact CB-CG 4.49Å; Q58-E61 PolarHBondContact NE2-OE2 3.28Å; Q58-E61 PolarHBondContact O-N 3.44Å; E61-E64 PolarHBondContact O-N 2.89Å; E61-H65 PolarHBondContact O-N 3.4Å
62I80Confident79.4Confident6 Ų633.7 Ų33.73%0.03117%0.173CC..Hα-helixtrans-68.9-43.3172.6-57.4165.3000110.7F24 I27 I53 H56 Q58 L59 L60 E64 H65 V66F24-I62 HydrophobicContact CD2-CG1 3.84Å; F24-I62 HydrophobicContact CE2-CG1 4.19Å; I27-I62 HydrophobicContact CD1-CD1 3.97Å; I27-I62 HydrophobicContact CG2-CD1 4.18Å; I27-I62 HydrophobicContact CG2-CG1 4.43Å; I27-I62 HydrophobicContact CG2-CG2 4.47Å; I53-I62 HydrophobicContact CD1-CG2 3.86Å; I53-I62 HydrophobicContact CG1-CD1 4.26Å; I53-I62 HydrophobicContact CG1-CG2 4.44Å; I53-I62 HydrophobicContact CG2-CB 4.39Å; I53-I62 HydrophobicContact CG2-CD1 4.01Å; I53-I62 HydrophobicContact CG2-CG2 3.98Å; H56-I62 HydrophobicContact CB-CD1 4.16Å; Q58-I62 PolarHBondContact O-N 3.31Å; Q58-I62 VanDerWaalsContact O-N 3.14Å; L59-I62 PolarHBondContact O-N 2.92Å; L60-I62 VanDerWaalsContact C-N 3.28Å; L60-I62 PolarHBondContact O-N 2.91Å; I62-E64 VanDerWaalsContact C-N 3.34Å; I62-E64 PolarHBondContact O-N 3.41Å; I62-H65 PolarHBondContact O-N 3.45Å; I62-V66 HydrophobicContact CG2-CG2 4.38Å; I62-V66 VanDerWaalsContact O-CG2 3.31Å; I62-V66 WeakPolarHBondContact O-CG2 3.37Å; I62-V66 PolarHBondContact O-N 3.21Å
63Y83.8Confident79.6Confident0 Ų038 Ų380%019%0.192CC..Hα-helixtrans-57.7-45.4171.5-108.2-98.5000111.9L59 L60 H65 V66 V67 F86 L87 N90 L91 L94 L102L59-Y63 HydrophobicContact CD1-CD2 3.77Å; L59-Y63 HydrophobicContact CD1-CE2 3.89Å; L59-Y63 HydrophobicContact CG-CD2 4.01Å; L59-Y63 HydrophobicContact CG-CE2 4.24Å; L59-Y63 WeakPolarHBondContact O-CB 3.45Å; L59-Y63 PolarHBondContact O-N 3.45Å; L60-Y63 WeakPolarHBondContact O-CB 3.43Å; L60-Y63 PolarHBondContact O-N 3.29Å; Y63-H65 VanDerWaalsContact C-N 3.32Å; Y63-H65 PolarHBondContact O-N 3.13Å; Y63-V66 PolarHBondContact O-N 2.89Å; Y63-V67 VanDerWaalsContact O-CB 3.29Å; Y63-V67 WeakPolarHBondContact O-CB 3.47Å; Y63-V67 VanDerWaalsContact O-CG2 3.3Å; Y63-V67 WeakPolarHBondContact O-CG2 3.25Å; Y63-V67 PolarHBondContact O-N 3.38Å; Y63-F86 AromaticContact CD2-CE1 3.98Å; Y63-F86 HydrophobicContact CD2-CE1 3.98Å; Y63-F86 AromaticContact CD2-CZ 3.77Å; Y63-F86 HydrophobicContact CD2-CZ 3.77Å; Y63-F86 AromaticContact CE2-CE1 3.88Å; Y63-F86 HydrophobicContact CE2-CE1 3.88Å; Y63-F86 HydrophobicContact CE2-CE2 4.24Å; Y63-F86 AromaticContact CE2-CZ 3.63Å; Y63-F86 HydrophobicContact CE2-CZ 3.63Å; Y63-F86 HydrophobicContact CG-CE1 4.48Å; Y63-F86 PolarHBondContact OH-O 2.91Å; Y63-F86 VanDerWaalsContact OH-O 3.13Å; Y63-L87 HydrophobicContact CD1-CD2 3.59Å; Y63-L87 HydrophobicContact CE1-CB 4.3Å; Y63-L87 HydrophobicContact CE1-CD2 3.52Å; Y63-L87 WeakPolarHBondContact CE1-O 3.29Å; Y63-L87 HydrophobicContact CG-CD2 4.36Å; Y63-L87 VanDerWaalsContact OH-C 3.31Å; Y63-L87 WeakPolarHBondContact OH-CA 3.33Å; Y63-L87 PolarHBondContact OH-O 2.87Å; Y63-N90 HydrophobicContact CE2-CB 4.06Å; Y63-N90 VanDerWaalsContact OH-C 3.25Å; Y63-N90 VanDerWaalsContact OH-CB 3.3Å; Y63-N90 WeakPolarHBondContact OH-CB 3.4Å; Y63-L91 HydrophobicContact CE1-CD1 4.17Å; Y63-L91 PolarHBondContact OH-N 2.74Å; Y63-L94 HydrophobicContact CD1-CD1 4.23Å; Y63-L94 HydrophobicContact CD2-CD1 4.19Å; Y63-L94 HydrophobicContact CE1-CD1 4.04Å; Y63-L94 HydrophobicContact CE2-CD1 4.01Å; Y63-L94 HydrophobicContact CG-CD1 4.28Å; Y63-L102 HydrophobicContact CD1-CD1 4.4Å; Y63-L102 HydrophobicContact CD1-CD2 3.57Å; Y63-L102 HydrophobicContact CE1-CD2 4.13Å; Y63-L102 HydrophobicContact CG-CD2 4.43Å
64E84.7Confident79.4Confident7 Ų745.9 Ų45.93%0.03323%0.229CC..Hα-helixtrans-62.6-36.1177-76.1-172.6161.400112.2L60 E61 I62 D68 R101 L102 R105L60-E64 HydrophobicContact CD1-CG 4.07Å; L60-E64 HydrophobicContact CG-CG 4.37Å; L60-E64 WeakPolarHBondContact O-CB 3.38Å; L60-E64 VanDerWaalsContact O-CG 3.3Å; L60-E64 WeakPolarHBondContact O-CG 3.36Å; L60-E64 PolarHBondContact O-N 3.25Å; E61-E64 PolarHBondContact O-N 2.89Å; I62-E64 VanDerWaalsContact C-N 3.34Å; I62-E64 PolarHBondContact O-N 3.41Å; E64-D68 VanDerWaalsContact O-CB 3.23Å; E64-D68 WeakPolarHBondContact O-CB 3.48Å; E64-D68 PolarHBondContact O-N 3.44Å; E64-R101 WeakPolarHBondContact OE1-CG 3.47Å; E64-R101 IonicContact OE1-CZ 2.92Å; E64-R101 IonicContact OE1-NE 2.93Å; E64-R101 PolarHBondContact OE1-NE 2.97Å; E64-R101 IonicContact OE1-NH2 3.49Å; E64-R101 PolarHBondContact OE1-NH2 3.41Å; E64-R101 IonicContact OE2-CZ 2.69Å; E64-R101 IonicContact OE2-NE 2.85Å; E64-R101 IonicContact OE2-NH2 3.66Å; E64-R101 PolarHBondContact OE2-NH2 2.83Å; E64-L102 HydrophobicContact CG-CD1 4.12Å; E64-R105 VanDerWaalsContact CG-CD 3.5Å; E64-R105 IonicContact OE2-CZ 3.38Å; E64-R105 IonicContact OE2-NH1 3.64Å; E64-R105 PolarHBondContact OE2-NH1 2.65Å
65H84.5Confident79.6Confident41 Ų4144.7 Ų44.719%0.1922%0.22CC..Hα-helixtrans-72.7-46174.4-171.386000112.6F24 V28 F31 D32 E61 I62 Y63 V67 D68 S69F24-H65 HydrophobicContact CE2-CB 4.49Å; F24-H65 HydrophobicContact CZ-CB 4.49Å; V28-H65 VanDerWaalsContact CG1-CE1 3.42Å; V28-H65 WeakPolarHBondContact CG1-CE1 3.24Å; V28-H65 HydrophobicContact CG2-CB 4.17Å; F31-H65 AromaticContact CD1-CD2 3.72Å; D32-H65 IonicContact OD1-CD2 3.6Å; D32-H65 IonicContact OD1-CE1 3.26Å; D32-H65 IonicContact OD1-NE2 3.95Å; D32-H65 PolarHBondContact OD1-NE2 2.83Å; D32-H65 IonicContact OD2-CE1 3.06Å; D32-H65 IonicContact OD2-NE2 3.75Å; E61-H65 PolarHBondContact O-N 3.4Å; I62-H65 PolarHBondContact O-N 3.45Å; Y63-H65 VanDerWaalsContact C-N 3.32Å; Y63-H65 PolarHBondContact O-N 3.13Å; H65-V67 PolarHBondContact O-N 3.26Å; H65-D68 WeakPolarHBondContact O-CA 3.35Å; H65-D68 WeakPolarHBondContact O-CB 3.42Å; H65-D68 PolarHBondContact O-N 3.22Å; H65-S69 PolarHBondContact O-N 3.38Å; H65-S69 PolarHBondContact O-OG 3.19Å
66V82.3Confident79.7Confident1 Ų143.2 Ų43.21%0.00622%0.218CC..Hα-helixtrans-59.8-45.4177.21700000111F31 L50 I62 Y63 D68 S69 L70 F83 F86 L87F31-V66 HydrophobicContact CE1-CG2 4.05Å; F31-V66 HydrophobicContact CE2-CG2 4.07Å; F31-V66 HydrophobicContact CZ-CB 4.39Å; F31-V66 HydrophobicContact CZ-CG1 4.37Å; F31-V66 HydrophobicContact CZ-CG2 3.78Å; L50-V66 HydrophobicContact CD2-CG2 4.42Å; I62-V66 HydrophobicContact CG2-CG2 4.38Å; I62-V66 VanDerWaalsContact O-CG2 3.31Å; I62-V66 WeakPolarHBondContact O-CG2 3.37Å; I62-V66 PolarHBondContact O-N 3.21Å; Y63-V66 PolarHBondContact O-N 2.89Å; V66-D68 VanDerWaalsContact C-N 3.26Å; V66-D68 PolarHBondContact O-N 2.69Å; V66-S69 PolarHBondContact O-N 2.79Å; V66-L70 HydrophobicContact CG1-CD1 3.77Å; V66-L70 HydrophobicContact CG1-CG 4.49Å; V66-L70 WeakPolarHBondContact O-CB 3.49Å; V66-L70 WeakPolarHBondContact O-CD1 3.24Å; V66-L70 VanDerWaalsContact O-CG 3.22Å; V66-L70 WeakPolarHBondContact O-CG 3.28Å; V66-L70 PolarHBondContact O-N 3.15Å; V66-F83 HydrophobicContact CG1-CD1 3.74Å; V66-F83 HydrophobicContact CG1-CE1 3.73Å; V66-F86 HydrophobicContact CG2-CE1 4.4Å; V66-L87 HydrophobicContact CG1-CD1 4.44Å; V66-L87 HydrophobicContact CG1-CD2 4Å; V66-L87 HydrophobicContact CG1-CG 4.46Å
67V84.1Confident79.5Confident0 Ų047 Ų470%024%0.242CC..Hα-helixtrans-61.8-35.5172.81640000111.5Y63 H65 W71 L87 L102 M106 L120Y63-V67 VanDerWaalsContact O-CB 3.29Å; Y63-V67 WeakPolarHBondContact O-CB 3.47Å; Y63-V67 VanDerWaalsContact O-CG2 3.3Å; Y63-V67 WeakPolarHBondContact O-CG2 3.25Å; Y63-V67 PolarHBondContact O-N 3.38Å; H65-V67 PolarHBondContact O-N 3.26Å; V67-W71 HydrophobicContact CG1-CE3 4.33Å; V67-W71 PolarHBondContact O-N 2.95Å; V67-L87 HydrophobicContact CG2-CD2 4.33Å; V67-L102 HydrophobicContact CG2-CD1 4.14Å; V67-M106 HydrophobicContact CG1-CE 4.18Å; V67-M106 HydrophobicContact CG1-CG 3.63Å; V67-M106 HydrophobicContact CG1-SD 4.32Å; V67-M106 HydrophobicContact CG2-CE 4.35Å; V67-L120 HydrophobicContact CB-CD2 4.34Å; V67-L120 HydrophobicContact CG1-CD2 4.29Å; V67-L120 HydrophobicContact CG2-CD2 3.99Å
68D84.9Confident79.4Confident30 Ų3041 Ų4116%0.1622%0.22CC..Hα-helixtrans-70.6-43.3179.3-86.81.4000113.3E64 H65 V66 W71 S72 R105 K109E64-D68 VanDerWaalsContact O-CB 3.23Å; E64-D68 WeakPolarHBondContact O-CB 3.48Å; E64-D68 PolarHBondContact O-N 3.44Å; H65-D68 WeakPolarHBondContact O-CA 3.35Å; H65-D68 WeakPolarHBondContact O-CB 3.42Å; H65-D68 PolarHBondContact O-N 3.22Å; V66-D68 VanDerWaalsContact C-N 3.26Å; V66-D68 PolarHBondContact O-N 2.69Å; D68-W71 WeakPolarHBondContact O-CB 3.11Å; D68-W71 PolarHBondContact O-N 3.38Å; D68-S72 PolarHBondContact O-OG 3.14Å; D68-R105 IonicContact OD1-NE 2.62Å; D68-R105 PolarHBondContact OD1-NE 2.96Å; D68-R105 IonicContact OD2-CZ 3.96Å; D68-R105 IonicContact OD2-NE 3.16Å; D68-R105 PolarHBondContact OD2-NE 2.79Å; D68-R105 VanDerWaalsContact OD2-NE 3.16Å; D68-R105 IonicContact OD2-NH2 2.79Å; D68-R105 PolarHBondContact OD2-NH2 3.21Å; D68-K109 VanDerWaalsContact CA-NZ 3.28Å; D68-K109 PolarHBondContact O-NZ 3.34Å; D68-K109 WeakPolarHBondContact OD1-CD 2.95Å; D68-K109 WeakPolarHBondContact OD1-CE 3.4Å; D68-K109 IonicContact OD1-NZ 3.42Å; D68-K109 PolarHBondContact OD1-NZ 3.39Å; D68-K109 IonicContact OD2-NZ 3.96Å
69S80.1Confident79.3Confident14 Ų1438.4 Ų38.410%0.09821%0.208CC..Hα-helixtrans-64.6-44.8175.3-57.50000111.9H65 V66 W71 S72 E73H65-S69 PolarHBondContact O-N 3.38Å; H65-S69 PolarHBondContact O-OG 3.19Å; V66-S69 PolarHBondContact O-N 2.79Å; S69-W71 PolarHBondContact O-N 2.77Å; S69-S72 PolarHBondContact O-N 3.17Å; S69-S72 PolarHBondContact O-OG 3.13Å; S69-E73 PolarHBondContact O-N 3.49Å
70L82.1Confident79.2Confident2 Ų240.8 Ų40.81%0.0122%0.216CC..Hα-helixtrans-64.4-18176.6-72.1169.6000113.6V66 V75 F83 L87 E116 L119 L120V66-L70 HydrophobicContact CG1-CD1 3.77Å; V66-L70 HydrophobicContact CG1-CG 4.49Å; V66-L70 WeakPolarHBondContact O-CB 3.49Å; V66-L70 WeakPolarHBondContact O-CD1 3.24Å; V66-L70 VanDerWaalsContact O-CG 3.22Å; V66-L70 WeakPolarHBondContact O-CG 3.28Å; V66-L70 PolarHBondContact O-N 3.15Å; L70-V75 HydrophobicContact CD2-CB 4.31Å; L70-V75 HydrophobicContact CD2-CG2 3.57Å; L70-F83 HydrophobicContact CD1-CB 4.41Å; L70-F83 HydrophobicContact CD1-CD1 4.08Å; L70-F83 HydrophobicContact CD1-CG 4.23Å; L70-F83 HydrophobicContact CD2-CD2 4.11Å; L70-F83 HydrophobicContact CD2-CE2 4.27Å; L70-F83 HydrophobicContact CD2-CG 4.28Å; L70-L87 HydrophobicContact CD1-CD1 3.75Å; L70-E116 HydrophobicContact CD2-CG 4.47Å; L70-E116 PolarHBondContact O-N 3.09Å; L70-L119 HydrophobicContact CD1-CD2 3.77Å; L70-L119 HydrophobicContact CD2-CD2 3.99Å; L70-L119 HydrophobicContact CG-CD2 4.48Å; L70-L120 HydrophobicContact CB-CD1 3.77Å; L70-L120 HydrophobicContact CB-CD2 3.99Å; L70-L120 HydrophobicContact CB-CG 4.1Å; L70-L120 HydrophobicContact CD1-CD2 4.01Å
71W85.8Confident78.9Confident11 Ų1146.5 Ų46.54%0.04225%0.246CC..Hα-helixtrans-77.5-28.5173.5-146.2-68.3000112.1V67 D68 S69 M106 K109 L110 Y112 V113 C114 S115 L120 F121V67-W71 HydrophobicContact CG1-CE3 4.33Å; V67-W71 PolarHBondContact O-N 2.95Å; D68-W71 WeakPolarHBondContact O-CB 3.11Å; D68-W71 PolarHBondContact O-N 3.38Å; S69-W71 PolarHBondContact O-N 2.77Å; W71-M106 HydrophobicContact CH2-CB 4.49Å; W71-M106 VanDerWaalsContact CH2-O 3.29Å; W71-M106 WeakPolarHBondContact CH2-O 3.46Å; W71-M106 HydrophobicContact CZ3-CB 4Å; W71-M106 HydrophobicContact CZ3-CG 4.22Å; W71-K109 HydrophobicContact CB-CD 4.14Å; W71-K109 HydrophobicContact CD2-CB 3.68Å; W71-K109 HydrophobicContact CD2-CD 3.81Å; W71-K109 HydrophobicContact CD2-CG 4.38Å; W71-K109 HydrophobicContact CE3-CB 3.83Å; W71-K109 HydrophobicContact CE3-CD 3.95Å; W71-K109 HydrophobicContact CG-CB 4.37Å; W71-K109 HydrophobicContact CG-CD 3.86Å; W71-K109 HydrophobicContact CH2-CB 3.82Å; W71-K109 VanDerWaalsContact CZ2-C 3.41Å; W71-K109 HydrophobicContact CZ2-CB 3.66Å; W71-K109 WeakPolarHBondContact CZ2-O 3.44Å; W71-K109 HydrophobicContact CZ3-CB 3.91Å; W71-K109 PolarHBondContact NE1-O 2.71Å; W71-L110 HydrophobicContact CH2-CD2 3.98Å; W71-L110 HydrophobicContact CH2-CG 4.26Å; W71-L110 HydrophobicContact CZ2-CD2 4.09Å; W71-L110 HydrophobicContact CZ2-CG 4.47Å; W71-Y112 PolarHBondContact NE1-O 3.24Å; W71-V113 VanDerWaalsContact CD1-O 3.26Å; W71-V113 PolarHBondContact NE1-O 3.37Å; W71-C114 HydrophobicContact CD2-CB 4.37Å; W71-C114 HydrophobicContact CZ2-CB 4.06Å; W71-S115 PolarHBondContact O-N 3.46Å; W71-S115 PolarHBondContact O-OG 3.41Å; W71-L120 HydrophobicContact CB-CD1 4.27Å; W71-L120 HydrophobicContact CD2-CD1 4.2Å; W71-L120 HydrophobicContact CE3-CD1 3.73Å; W71-L120 HydrophobicContact CG-CD1 4.49Å; W71-L120 HydrophobicContact CZ3-CD1 4.36Å; W71-F121 AromaticContact CH2-CE1 3.92Å; W71-F121 HydrophobicContact CH2-CE1 3.92Å; W71-F121 HydrophobicContact CZ2-CE1 4.13Å
72S81.5Confident78.6Confident82 Ų8244.1 Ų44.157%0.57324%0.235SC*.Hα-helixtrans-101.3-38.2-176.544.40000114.4D68 S69 S115D68-S72 PolarHBondContact O-OG 3.14Å; S69-S72 PolarHBondContact O-N 3.17Å; S69-S72 PolarHBondContact O-OG 3.13Å; S72-S115 VanDerWaalsContact C-OG 3.3Å; S72-S115 PolarHBondContact O-OG 3.33Å
73E75.6Confident78.6Confident92 Ų9243.9 Ų43.943%0.4323%0.234SC..SBendtrans-105.8132-174.3-59.8-171148.600110.9S69S69-E73 PolarHBondContact O-N 3.49Å
74E70.8Confident78.3Confident167 Ų16747.5 Ų47.578%0.7825%0.25SC*.  trans-70.4140.3167.2-70.5-172.8171.400109.8
75V72.2Confident77.9Confident14 Ų1449.7 Ų49.79%0.08527%0.266CS..  trans-116135.4-175.1171.60000111.4L70 T77 V79 R80 F83 E116L70-V75 HydrophobicContact CD2-CB 4.31Å; L70-V75 HydrophobicContact CD2-CG2 3.57Å; V75-T77 PolarHBondContact O-N 2.95Å; V75-V79 HydrophobicContact CG1-CB 3.71Å; V75-V79 HydrophobicContact CG1-CG1 4.28Å; V75-V79 HydrophobicContact CG1-CG2 4.48Å; V75-R80 PolarHBondContact O-NH2 3.28Å; V75-R80 VanDerWaalsContact O-NH2 3.11Å; V75-F83 HydrophobicContact CG1-CD2 3.96Å; V75-F83 HydrophobicContact CG1-CE2 3.91Å; V75-F83 HydrophobicContact CG2-CE2 4.36Å; V75-E116 HydrophobicContact CB-CG 4.45Å; V75-E116 PolarHBondContact N-OE1 3.32Å
76D72.9Confident77.6Confident81 Ų8148.1 Ų48.143%0.43326%0.259SS..  trans-50.1130.2175.3-175.2-28.5000110.3R42 S78 V79 R80R42-D76 IonicContact CZ-OD2 3.84Å; R42-D76 IonicContact NH2-OD2 2.79Å; R42-D76 PolarHBondContact NH2-OD2 2.58Å; D76-S78 PolarHBondContact O-N 3.2Å; D76-S78 PolarHBondContact OD1-N 3.31Å; D76-S78 VanDerWaalsContact OD1-N 3.09Å; D76-S78 PolarHBondContact OD1-OG 3.3Å; D76-S78 PolarHBondContact OD2-OG 2.98Å; D76-V79 HydrophobicContact CB-CG2 4.25Å; D76-V79 PolarHBondContact O-N 3.3Å; D76-R80 PolarHBondContact O-N 2.96Å; D76-R80 VanDerWaalsContact O-N 3.12Å
77T71.5Confident77.5Confident98 Ų9848.1 Ų48.160%0.60126%0.259SS*.Hα-helixtrans-55.2-25.9-174.1-62.50000112.8V75 R80V75-T77 PolarHBondContact O-N 2.95Å; T77-R80 PolarHBondContact OG1-NH1 3.26Å
78S71.5Confident77.2Confident52 Ų5248.3 Ų48.336%0.36426%0.26SS..Hα-helixtrans-69.5-33173.553.90000114.2F43 D76F43-S78 WeakPolarHBondContact CE1-OG 3.49Å; F43-S78 WeakPolarHBondContact CZ-OG 3.23Å; D76-S78 PolarHBondContact O-N 3.2Å; D76-S78 PolarHBondContact OD1-N 3.31Å; D76-S78 VanDerWaalsContact OD1-N 3.09Å; D76-S78 PolarHBondContact OD1-OG 3.3Å; D76-S78 PolarHBondContact OD2-OG 2.98Å
79V75.7Confident76.6Confident12 Ų1251.4 Ų51.47%0.07328%0.276CS..Hα-helixtrans-86.3-25.6175.9-162.70000111.6F43 L46 V75 D76 L81 I82 F83F43-V79 HydrophobicContact CD1-CG2 3.86Å; F43-V79 HydrophobicContact CE1-CG2 3.47Å; F43-V79 VanDerWaalsContact CE1-CG2 3.47Å; F43-V79 HydrophobicContact CZ-CG2 4.47Å; L46-V79 HydrophobicContact CD1-CG1 4.04Å; L46-V79 HydrophobicContact CD2-CG1 3.94Å; V75-V79 HydrophobicContact CG1-CB 3.71Å; V75-V79 HydrophobicContact CG1-CG1 4.28Å; V75-V79 HydrophobicContact CG1-CG2 4.48Å; D76-V79 HydrophobicContact CB-CG2 4.25Å; D76-V79 PolarHBondContact O-N 3.3Å; V79-L81 PolarHBondContact O-N 2.79Å; V79-L81 VanDerWaalsContact O-N 3.11Å; V79-I82 HydrophobicContact CG1-CD1 4.35Å; V79-I82 WeakPolarHBondContact O-CA 3.45Å; V79-I82 WeakPolarHBondContact O-CB 3.4Å; V79-I82 PolarHBondContact O-N 2.89Å; V79-F83 HydrophobicContact CB-CD2 4.43Å; V79-F83 HydrophobicContact CB-CE2 4.4Å; V79-F83 HydrophobicContact CG1-CD2 3.71Å; V79-F83 HydrophobicContact CG1-CE2 3.49Å; V79-F83 VanDerWaalsContact CG1-CE2 3.49Å; V79-F83 HydrophobicContact CG1-CZ 4.45Å; V79-F83 PolarHBondContact O-N 2.87Å; V79-F83 VanDerWaalsContact O-N 3.09Å
80R75.3Confident76.1Confident67 Ų6751.8 Ų51.825%0.25328%0.277SS..Hα-helixtrans-53.3-35.1-179.9-166.8-177.2-69.51105.6112.9V75 D76 T77 F84 E116 L119V75-R80 PolarHBondContact O-NH2 3.28Å; V75-R80 VanDerWaalsContact O-NH2 3.11Å; D76-R80 PolarHBondContact O-N 2.96Å; D76-R80 VanDerWaalsContact O-N 3.12Å; T77-R80 PolarHBondContact OG1-NH1 3.26Å; R80-F84 VanDerWaalsContact O-CB 3.29Å; R80-F84 WeakPolarHBondContact O-CB 3.31Å; R80-F84 PolarHBondContact O-N 3.09Å; R80-E116 IonicContact CZ-OE1 3.77Å; R80-E116 IonicContact CZ-OE2 2.66Å; R80-E116 IonicContact NE-OE1 2.65Å; R80-E116 PolarHBondContact NE-OE1 3.06Å; R80-E116 IonicContact NE-OE2 2.74Å; R80-E116 PolarHBondContact NE-OE2 2.88Å; R80-E116 IonicContact NH2-OE1 3.68Å; R80-E116 PolarHBondContact NH2-OE1 3.27Å; R80-E116 IonicContact NH2-OE2 2.72Å; R80-E116 PolarHBondContact NH2-OE2 2.93Å; R80-L119 HydrophobicContact CG-CD2 4.36Å
81L75.3Confident75.9Confident130 Ų13051.8 Ų51.868%0.68128%0.277SS*.Hα-helixtrans-66.2-37173.7-76.7169.9000113.5V79 F84 S85V79-L81 PolarHBondContact O-N 2.79Å; V79-L81 VanDerWaalsContact O-N 3.11Å; L81-F84 PolarHBondContact O-N 2.86Å; L81-S85 VanDerWaalsContact O-CB 3.31Å; L81-S85 WeakPolarHBondContact O-CB 3.28Å; L81-S85 PolarHBondContact O-N 2.89Å
82I76.8Confident75.3Confident20 Ų2057 Ų5710%0.10331%0.306CS..Hα-helixtrans-69.4-44.5179.1-51.2174.4000109.4F43 L46 E47 L50 V79 S85 F86F43-I82 HydrophobicContact CB-CD1 4.34Å; F43-I82 HydrophobicContact CD1-CD1 4.07Å; L46-I82 HydrophobicContact CD2-CG2 4.01Å; E47-I82 HydrophobicContact CB-CD1 4.39Å; E47-I82 HydrophobicContact CB-CG2 3.84Å; E47-I82 HydrophobicContact CG-CG2 4.14Å; L50-I82 HydrophobicContact CD1-CG2 4.29Å; V79-I82 HydrophobicContact CG1-CD1 4.35Å; V79-I82 WeakPolarHBondContact O-CA 3.45Å; V79-I82 WeakPolarHBondContact O-CB 3.4Å; V79-I82 PolarHBondContact O-N 2.89Å; I82-S85 WeakPolarHBondContact O-CB 3.29Å; I82-S85 PolarHBondContact O-N 3.08Å; I82-F86 WeakPolarHBondContact O-CB 3.33Å; I82-F86 PolarHBondContact O-N 2.94Å
83F80.3Confident75Confident0 Ų061.1 Ų61.10%031%0.314CS..Hα-helixtrans-64.3-40.5173.6-76.5-65.4000113.1F31 L35 L46 L50 V66 L70 V75 V79 F86 L87 L119F31-F83 AromaticContact CE2-CE1 3.5Å; F31-F83 HydrophobicContact CE2-CE1 3.5Å; F31-F83 AromaticContact CE2-CZ 3.6Å; F31-F83 HydrophobicContact CE2-CZ 3.6Å; F31-F83 AromaticContact CZ-CE1 3.54Å; F31-F83 HydrophobicContact CZ-CE1 3.54Å; F31-F83 AromaticContact CZ-CZ 3.61Å; F31-F83 HydrophobicContact CZ-CZ 3.61Å; L35-F83 HydrophobicContact CD2-CE2 4.36Å; L35-F83 HydrophobicContact CD2-CZ 4.12Å; L46-F83 HydrophobicContact CD1-CE2 4.5Å; L46-F83 HydrophobicContact CD1-CZ 4.18Å; L46-F83 HydrophobicContact CD2-CE1 4.38Å; L46-F83 HydrophobicContact CD2-CE2 4.4Å; L46-F83 HydrophobicContact CD2-CZ 4.11Å; L50-F83 HydrophobicContact CD1-CD1 3.82Å; L50-F83 HydrophobicContact CD1-CE1 3.92Å; V66-F83 HydrophobicContact CG1-CD1 3.74Å; V66-F83 HydrophobicContact CG1-CE1 3.73Å; L70-F83 HydrophobicContact CD1-CB 4.41Å; L70-F83 HydrophobicContact CD1-CD1 4.08Å; L70-F83 HydrophobicContact CD1-CG 4.23Å; L70-F83 HydrophobicContact CD2-CD2 4.11Å; L70-F83 HydrophobicContact CD2-CE2 4.27Å; L70-F83 HydrophobicContact CD2-CG 4.28Å; V75-F83 HydrophobicContact CG1-CD2 3.96Å; V75-F83 HydrophobicContact CG1-CE2 3.91Å; V75-F83 HydrophobicContact CG2-CE2 4.36Å; V79-F83 HydrophobicContact CB-CD2 4.43Å; V79-F83 HydrophobicContact CB-CE2 4.4Å; V79-F83 HydrophobicContact CG1-CD2 3.71Å; V79-F83 HydrophobicContact CG1-CE2 3.49Å; V79-F83 VanDerWaalsContact CG1-CE2 3.49Å; V79-F83 HydrophobicContact CG1-CZ 4.45Å; V79-F83 PolarHBondContact O-N 2.87Å; V79-F83 VanDerWaalsContact O-N 3.09Å; F83-F86 PolarHBondContact O-N 2.87Å; F83-L87 WeakPolarHBondContact O-CB 3.46Å; F83-L87 WeakPolarHBondContact O-CG 3.46Å; F83-L87 PolarHBondContact O-N 3.45Å; F83-L119 HydrophobicContact CB-CD2 3.71Å
84F75.8Confident75.1Confident76 Ų7657 Ų5733%0.33330%0.295SS..Hα-helixtrans-61.2-45.2174.4-172.6-89.2000111.5R80 L81 N88 L119 D122R80-F84 VanDerWaalsContact O-CB 3.29Å; R80-F84 WeakPolarHBondContact O-CB 3.31Å; R80-F84 PolarHBondContact O-N 3.09Å; L81-F84 PolarHBondContact O-N 2.86Å; F84-N88 WeakPolarHBondContact CE2-ND2 3.23Å; F84-N88 WeakPolarHBondContact CZ-ND2 3.28Å; F84-N88 VanDerWaalsContact O-CB 3.28Å; F84-N88 WeakPolarHBondContact O-CB 3.42Å; F84-N88 PolarHBondContact O-N 3.36Å; F84-N88 VanDerWaalsContact O-N 3.08Å; F84-L119 HydrophobicContact CB-CD1 3.82Å; F84-L119 HydrophobicContact CD2-CD1 3.9Å; F84-L119 HydrophobicContact CG-CD1 4.33Å; F84-D122 HydrophobicContact CE2-CB 4.32Å; F84-D122 VanDerWaalsContact CE2-OD2 3.24Å; F84-D122 WeakPolarHBondContact CE2-OD2 3.15Å
85S76.4Confident75.6Confident54 Ų5454 Ų5438%0.37828%0.281SS..Hα-helixtrans-57.9-52.3174.2-174.70000111L81 I82 N89L81-S85 VanDerWaalsContact O-CB 3.31Å; L81-S85 WeakPolarHBondContact O-CB 3.28Å; L81-S85 PolarHBondContact O-N 2.89Å; I82-S85 WeakPolarHBondContact O-CB 3.29Å; I82-S85 PolarHBondContact O-N 3.08Å; S85-N89 WeakPolarHBondContact O-CB 3.33Å; S85-N89 PolarHBondContact O-N 3.47Å; S85-N89 PolarHBondContact O-ND2 2.66Å; S85-N89 VanDerWaalsContact O-ND2 3.15Å; S85-N89 PolarHBondContact OG-ND2 3.29Å
86F79.7Confident76Confident8 Ų855.3 Ų55.34%0.03529%0.287CS..Hα-helixtrans-60-56179.5172.4-110000113.1L50 I53 L59 Y63 V66 I82 F83 N88 N90L50-F86 HydrophobicContact CB-CB 3.91Å; L50-F86 HydrophobicContact CB-CD2 3.61Å; L50-F86 HydrophobicContact CB-CE2 4.28Å; L50-F86 HydrophobicContact CB-CG 3.76Å; L50-F86 HydrophobicContact CD1-CB 3.73Å; L50-F86 HydrophobicContact CD1-CD1 4.14Å; L50-F86 HydrophobicContact CD1-CG 3.9Å; L50-F86 HydrophobicContact CD2-CD1 3.75Å; L50-F86 HydrophobicContact CD2-CD2 4.03Å; L50-F86 HydrophobicContact CD2-CE1 3.86Å; L50-F86 HydrophobicContact CD2-CE2 4.12Å; L50-F86 HydrophobicContact CD2-CG 3.84Å; L50-F86 HydrophobicContact CD2-CZ 4.05Å; L50-F86 HydrophobicContact CG-CB 4.28Å; L50-F86 HydrophobicContact CG-CD1 4.36Å; L50-F86 HydrophobicContact CG-CD2 4.26Å; L50-F86 HydrophobicContact CG-CG 4.03Å; L50-F86 WeakPolarHBondContact O-CD2 3.08Å; L50-F86 VanDerWaalsContact O-CE2 3.27Å; L50-F86 WeakPolarHBondContact O-CE2 3.46Å; I53-F86 HydrophobicContact CB-CE2 4.2Å; I53-F86 HydrophobicContact CG2-CE2 3.74Å; I53-F86 HydrophobicContact CG2-CZ 3.76Å; L59-F86 HydrophobicContact CD1-CZ 4.32Å; Y63-F86 AromaticContact CD2-CE1 3.98Å; Y63-F86 HydrophobicContact CD2-CE1 3.98Å; Y63-F86 AromaticContact CD2-CZ 3.77Å; Y63-F86 HydrophobicContact CD2-CZ 3.77Å; Y63-F86 AromaticContact CE2-CE1 3.88Å; Y63-F86 HydrophobicContact CE2-CE1 3.88Å; Y63-F86 HydrophobicContact CE2-CE2 4.24Å; Y63-F86 AromaticContact CE2-CZ 3.63Å; Y63-F86 HydrophobicContact CE2-CZ 3.63Å; Y63-F86 HydrophobicContact CG-CE1 4.48Å; Y63-F86 PolarHBondContact OH-O 2.91Å; Y63-F86 VanDerWaalsContact OH-O 3.13Å; V66-F86 HydrophobicContact CG2-CE1 4.4Å; I82-F86 WeakPolarHBondContact O-CB 3.33Å; I82-F86 PolarHBondContact O-N 2.94Å; F83-F86 PolarHBondContact O-N 2.87Å; F86-N88 PolarHBondContact O-N 3.44Å; F86-N90 WeakPolarHBondContact CD2-ND2 3.32Å; F86-N90 PolarHBondContact O-N 3.42Å; F86-N90 PolarHBondContact O-ND2 2.72Å
87L79.5Confident76.5Confident0 Ų058.2 Ų58.20%029%0.292CS..Hα-helixtrans-67.1-37.3-171.3-69.2173.7000111.7Y63 V66 V67 L70 F83 L91 L119 L120 V123Y63-L87 HydrophobicContact CD1-CD2 3.59Å; Y63-L87 HydrophobicContact CE1-CB 4.3Å; Y63-L87 HydrophobicContact CE1-CD2 3.52Å; Y63-L87 WeakPolarHBondContact CE1-O 3.29Å; Y63-L87 HydrophobicContact CG-CD2 4.36Å; Y63-L87 VanDerWaalsContact OH-C 3.31Å; Y63-L87 WeakPolarHBondContact OH-CA 3.33Å; Y63-L87 PolarHBondContact OH-O 2.87Å; V66-L87 HydrophobicContact CG1-CD1 4.44Å; V66-L87 HydrophobicContact CG1-CD2 4Å; V66-L87 HydrophobicContact CG1-CG 4.46Å; V67-L87 HydrophobicContact CG2-CD2 4.33Å; L70-L87 HydrophobicContact CD1-CD1 3.75Å; F83-L87 WeakPolarHBondContact O-CB 3.46Å; F83-L87 WeakPolarHBondContact O-CG 3.46Å; F83-L87 PolarHBondContact O-N 3.45Å; L87-L91 WeakPolarHBondContact O-CB 3.3Å; L87-L119 HydrophobicContact CD1-CD1 4.31Å; L87-L119 HydrophobicContact CD1-CG 4.36Å; L87-L120 HydrophobicContact CD1-CD2 4.34Å; L87-V123 HydrophobicContact CB-CG1 4.31Å; L87-V123 HydrophobicContact CB-CG2 3.56Å; L87-V123 HydrophobicContact CD1-CG2 4.02Å; L87-V123 HydrophobicContact CG-CG2 4.41Å
88N76.8Confident77.1Confident5 Ų555.9 Ų55.93%0.02727%0.274CS..Hα-helixtrans-83.4-42.9179.1-74-35.1000113F84 F86 N90 L91 D122 R126F84-N88 WeakPolarHBondContact CE2-ND2 3.23Å; F84-N88 WeakPolarHBondContact CZ-ND2 3.28Å; F84-N88 VanDerWaalsContact O-CB 3.28Å; F84-N88 WeakPolarHBondContact O-CB 3.42Å; F84-N88 PolarHBondContact O-N 3.36Å; F84-N88 VanDerWaalsContact O-N 3.08Å; F86-N88 PolarHBondContact O-N 3.44Å; N88-N90 VanDerWaalsContact C-N 3.34Å; N88-N90 PolarHBondContact O-N 2.89Å; N88-L91 VanDerWaalsContact O-CB 3.3Å; N88-L91 WeakPolarHBondContact O-CB 3.44Å; N88-L91 PolarHBondContact O-N 3Å; N88-D122 PolarHBondContact ND2-OD2 3.24Å; N88-R126 VanDerWaalsContact CG-CZ 3.45Å; N88-R126 VanDerWaalsContact ND2-CZ 3.28Å; N88-R126 PolarHBondContact ND2-NE 3.06Å; N88-R126 PolarHBondContact ND2-NH2 3.48Å; N88-R126 VanDerWaalsContact OD1-CD 3.28Å; N88-R126 WeakPolarHBondContact OD1-CD 3.36Å; N88-R126 PolarHBondContact OD1-NE 2.8Å
89N73.8Confident77.7Confident94 Ų9453.4 Ų53.450%0.50326%0.256SS..Hα-helixtrans-68.8-30.7-175.2-65-19.7000113S85 F93S85-N89 WeakPolarHBondContact O-CB 3.33Å; S85-N89 PolarHBondContact O-N 3.47Å; S85-N89 PolarHBondContact O-ND2 2.66Å; S85-N89 VanDerWaalsContact O-ND2 3.15Å; S85-N89 PolarHBondContact OG-ND2 3.29Å; N89-F93 WeakPolarHBondContact O-CD2 3.43Å
90N69.7Low78.1Confident22 Ų2255.6 Ų55.612%0.11827%0.266CS..THydrogen-bonded Turntrans-91.8-4.4176.9-52.2-78.9000113.4S54 Y63 F86 N88 D92 F93 L94S54-N90 WeakPolarHBondContact CB-OD1 3.49Å; Y63-N90 HydrophobicContact CE2-CB 4.06Å; Y63-N90 VanDerWaalsContact OH-C 3.25Å; Y63-N90 VanDerWaalsContact OH-CB 3.3Å; Y63-N90 WeakPolarHBondContact OH-CB 3.4Å; F86-N90 WeakPolarHBondContact CD2-ND2 3.32Å; F86-N90 PolarHBondContact O-N 3.42Å; F86-N90 PolarHBondContact O-ND2 2.72Å; N88-N90 VanDerWaalsContact C-N 3.34Å; N88-N90 PolarHBondContact O-N 2.89Å; N90-D92 VanDerWaalsContact C-N 3.3Å; N90-D92 PolarHBondContact O-N 3.02Å; N90-F93 PolarHBondContact O-N 3.21Å; N90-L94 PolarHBondContact O-N 3.47Å
91L77.5Confident78.6Confident2 Ų257.8 Ų57.81%0.0127%0.274CS..THydrogen-bonded Turntrans-64.2-37177.5-153.873.1000112Y63 L87 N88 F93 L94 L102 V123 R126 A127 K130Y63-L91 HydrophobicContact CE1-CD1 4.17Å; Y63-L91 PolarHBondContact OH-N 2.74Å; L87-L91 WeakPolarHBondContact O-CB 3.3Å; N88-L91 VanDerWaalsContact O-CB 3.3Å; N88-L91 WeakPolarHBondContact O-CB 3.44Å; N88-L91 PolarHBondContact O-N 3Å; L91-F93 VanDerWaalsContact C-N 3.3Å; L91-F93 PolarHBondContact O-N 3.44Å; L91-L94 HydrophobicContact CD1-CD1 4.43Å; L91-L94 PolarHBondContact O-N 3.01Å; L91-L102 HydrophobicContact CD1-CD2 4.2Å; L91-V123 HydrophobicContact CD1-CG1 4.22Å; L91-R126 HydrophobicContact CD2-CB 3.55Å; L91-A127 HydrophobicContact CD1-CB 4.42Å; L91-A127 HydrophobicContact CD2-CB 4.1Å; L91-K130 PolarHBondContact O-NZ 2.99Å
92D73.1Confident79.1Confident121 Ų12151.6 Ų51.665%0.64724%0.242SC*.THydrogen-bonded Turntrans-69.1-27.7178.9-71.5-23.9000112.4N90 K130N90-D92 VanDerWaalsContact C-N 3.3Å; N90-D92 PolarHBondContact O-N 3.02Å; D92-K130 VanDerWaalsContact C-NZ 3.25Å; D92-K130 PolarHBondContact O-NZ 2.77Å
93F74.5Confident79.6Confident169 Ų16950.6 Ų50.674%0.74124%0.237SC*.THydrogen-bonded Turntrans-88.8-15.8178.8-59.9-67.9000114.6N89 N90 L91N89-F93 WeakPolarHBondContact O-CD2 3.43Å; N90-F93 PolarHBondContact O-N 3.21Å; L91-F93 VanDerWaalsContact C-N 3.3Å; L91-F93 PolarHBondContact O-N 3.44Å
94L78.1Confident79.8Confident6 Ų654.7 Ų54.73%0.03126%0.255CS..SBendtrans-67.4134.2173-79.3167.4000111.3L59 Y63 N90 L91 K98 V99 K130L59-L94 HydrophobicContact CD2-CD2 3.74Å; L59-L94 HydrophobicContact CD2-CG 4.22Å; L59-L94 HydrophobicContact CG-CD2 4.01Å; Y63-L94 HydrophobicContact CD1-CD1 4.23Å; Y63-L94 HydrophobicContact CD2-CD1 4.19Å; Y63-L94 HydrophobicContact CE1-CD1 4.04Å; Y63-L94 HydrophobicContact CE2-CD1 4.01Å; Y63-L94 HydrophobicContact CG-CD1 4.28Å; N90-L94 PolarHBondContact O-N 3.47Å; L91-L94 HydrophobicContact CD1-CD1 4.43Å; L91-L94 PolarHBondContact O-N 3.01Å; L94-K98 HydrophobicContact CD2-CB 4.03Å; L94-K98 HydrophobicContact CD2-CD 3.99Å; L94-V99 HydrophobicContact CB-CG2 3.53Å; L94-K130 PolarHBondContact O-NZ 3.01Å
95E80.8Confident80.3Confident102 Ų10255.2 Ų55.248%0.47725%0.254SS..  trans-62.3147172.9-61.3170.113600111W97 K98 V99E95-W97 VanDerWaalsContact C-N 3.27Å; E95-W97 PolarHBondContact O-N 2.92Å; E95-W97 VanDerWaalsContact O-N 3.14Å; E95-W97 PolarHBondContact OE2-NE1 2.91Å; E95-K98 HydrophobicContact CB-CD 4.18Å; E95-K98 HydrophobicContact CB-CG 4.35Å; E95-K98 WeakPolarHBondContact O-CA 3.21Å; E95-K98 VanDerWaalsContact O-CB 3.28Å; E95-K98 WeakPolarHBondContact O-CB 3.33Å; E95-K98 PolarHBondContact O-N 3.29Å; E95-K98 WeakPolarHBondContact OE2-CE 3.41Å; E95-K98 IonicContact OE2-NZ 3.8Å; E95-K98 PolarHBondContact OE2-NZ 3.4Å; E95-V99 PolarHBondContact O-N 2.96Å; E95-V99 VanDerWaalsContact O-N 3.09Å
96D81.2Confident80.7Confident42 Ų4252.7 Ų52.723%0.22524%0.237CC..Hα-helixtrans-59.2-34.9-170.2-62.6-27.1000113.4K98 V99 E100 K130 L131 S134 V137D96-K98 VanDerWaalsContact C-N 3.27Å; D96-K98 PolarHBondContact O-N 3.33Å; D96-V99 PolarHBondContact O-N 3.36Å; D96-E100 WeakPolarHBondContact O-CB 3.49Å; D96-E100 PolarHBondContact O-N 3.45Å; D96-K130 VanDerWaalsContact OD1-CE 3.25Å; D96-K130 WeakPolarHBondContact OD1-CE 3.4Å; D96-L131 HydrophobicContact CB-CD2 4.3Å; D96-L131 VanDerWaalsContact O-CD2 3.25Å; D96-L131 WeakPolarHBondContact O-CD2 3.47Å; D96-S134 VanDerWaalsContact OD2-CB 3.23Å; D96-S134 WeakPolarHBondContact OD2-CB 3.46Å; D96-S134 PolarHBondContact OD2-OG 3.48Å; D96-V137 HydrophobicContact CB-CG2 4.33Å
97W84.2Confident81Confident143 Ų14352.4 Ų52.454%0.54224%0.235SC..Hα-helixtrans-65.2-28.4174.376-92.3000113.3L60 E95 R101L60-W97 HydrophobicContact CD2-CZ3 4.26Å; E95-W97 VanDerWaalsContact C-N 3.27Å; E95-W97 PolarHBondContact O-N 2.92Å; E95-W97 VanDerWaalsContact O-N 3.14Å; E95-W97 PolarHBondContact OE2-NE1 2.91Å; W97-R101 PolarHBondContact O-N 3.04Å; W97-R101 VanDerWaalsContact O-N 3.08Å
98K83.6Confident81.4Confident48 Ų4860.1 Ų60.121%0.20927%0.265CS..Hα-helixtrans-75.4-42.7174.8-63173.4169.8150.50110.4L60 L94 E95 D96 E100 R101 L102L60-K98 HydrophobicContact CB-CB 4.42Å; L60-K98 HydrophobicContact CB-CG 4.45Å; L60-K98 HydrophobicContact CD1-CB 4.29Å; L60-K98 WeakPolarHBondContact CD1-O 3.3Å; L60-K98 HydrophobicContact CD2-CB 4.04Å; L60-K98 HydrophobicContact CD2-CG 4.09Å; L60-K98 HydrophobicContact CG-CB 4.48Å; L94-K98 HydrophobicContact CD2-CB 4.03Å; L94-K98 HydrophobicContact CD2-CD 3.99Å; E95-K98 HydrophobicContact CB-CD 4.18Å; E95-K98 HydrophobicContact CB-CG 4.35Å; E95-K98 WeakPolarHBondContact O-CA 3.21Å; E95-K98 VanDerWaalsContact O-CB 3.28Å; E95-K98 WeakPolarHBondContact O-CB 3.33Å; E95-K98 PolarHBondContact O-N 3.29Å; E95-K98 WeakPolarHBondContact OE2-CE 3.41Å; E95-K98 IonicContact OE2-NZ 3.8Å; E95-K98 PolarHBondContact OE2-NZ 3.4Å; D96-K98 VanDerWaalsContact C-N 3.27Å; D96-K98 PolarHBondContact O-N 3.33Å; K98-E100 VanDerWaalsContact C-N 3.31Å; K98-R101 PolarHBondContact O-N 3.25Å; K98-L102 WeakPolarHBondContact O-CB 3.17Å; K98-L102 PolarHBondContact O-N 2.93Å
99V84Confident81.8Confident0 Ų062.2 Ų62.20%027%0.273CS..Hα-helixtrans-63.5-38.8173.9-173.60000110.5L94 E95 D96 L102 C103 A127 K130 L131L94-V99 HydrophobicContact CB-CG2 3.53Å; E95-V99 PolarHBondContact O-N 2.96Å; E95-V99 VanDerWaalsContact O-N 3.09Å; D96-V99 PolarHBondContact O-N 3.36Å; V99-L102 PolarHBondContact O-N 3.03Å; V99-C103 WeakPolarHBondContact O-CB 3.41Å; V99-C103 PolarHBondContact O-N 3.15Å; V99-A127 HydrophobicContact CG1-CB 3.63Å; V99-K130 HydrophobicContact CG2-CD 4.39Å; V99-L131 HydrophobicContact CB-CD2 4Å; V99-L131 HydrophobicContact CB-CG 4.29Å; V99-L131 HydrophobicContact CG1-CD1 4.01Å; V99-L131 HydrophobicContact CG1-CD2 4.13Å; V99-L131 HydrophobicContact CG1-CG 3.85Å
100E83.7Confident82.2Confident58 Ų5857.7 Ų57.727%0.27125%0.249SC..Hα-helixtrans-60.2-50.7174.3168.8159.7-136.500111.2D96 K98 L102 C103 F104 L131 S139 M141D96-E100 WeakPolarHBondContact O-CB 3.49Å; D96-E100 PolarHBondContact O-N 3.45Å; K98-E100 VanDerWaalsContact C-N 3.31Å; E100-L102 PolarHBondContact O-N 3.44Å; E100-C103 WeakPolarHBondContact O-CB 3.07Å; E100-C103 PolarHBondContact O-N 3.46Å; E100-F104 PolarHBondContact O-N 3.46Å; E100-L131 HydrophobicContact CB-CD1 4.37Å; E100-L131 HydrophobicContact CB-CD2 3.94Å; E100-S139 PolarHBondContact OE1-OG 3.15Å; E100-M141 HydrophobicContact CB-CE 4.28Å; E100-M141 HydrophobicContact CG-CE 3.7Å; E100-M141 WeakPolarHBondContact O-CE 3.5Å
101R86.1Confident83Confident113 Ų11360.7 Ų60.743%0.42626%0.264SS..Hα-helixtrans-62.4-41.1177.5175.2168154.3175-8.4112.5L60 E64 W97 K98 F104 R105L60-R101 HydrophobicContact CD2-CB 4.27Å; L60-R101 HydrophobicContact CD2-CG 4.2Å; E64-R101 WeakPolarHBondContact OE1-CG 3.47Å; E64-R101 IonicContact OE1-CZ 2.92Å; E64-R101 IonicContact OE1-NE 2.93Å; E64-R101 PolarHBondContact OE1-NE 2.97Å; E64-R101 IonicContact OE1-NH2 3.49Å; E64-R101 PolarHBondContact OE1-NH2 3.41Å; E64-R101 IonicContact OE2-CZ 2.69Å; E64-R101 IonicContact OE2-NE 2.85Å; E64-R101 IonicContact OE2-NH2 3.66Å; E64-R101 PolarHBondContact OE2-NH2 2.83Å; W97-R101 PolarHBondContact O-N 3.04Å; W97-R101 VanDerWaalsContact O-N 3.08Å; K98-R101 PolarHBondContact O-N 3.25Å; R101-F104 PolarHBondContact O-N 2.86Å; R101-R105 PolarHBondContact O-N 3.08Å
102L85.9Confident83.3Confident0 Ų067.8 Ų67.80%029%0.292CS..Hα-helixtrans-60.4-50.4175.5-174.967.5000111.4L60 Y63 E64 V67 L91 K98 V99 E100 F104 R105 M106L60-L102 HydrophobicContact CD1-CB 4.03Å; Y63-L102 HydrophobicContact CD1-CD1 4.4Å; Y63-L102 HydrophobicContact CD1-CD2 3.57Å; Y63-L102 HydrophobicContact CE1-CD2 4.13Å; Y63-L102 HydrophobicContact CG-CD2 4.43Å; E64-L102 HydrophobicContact CG-CD1 4.12Å; V67-L102 HydrophobicContact CG2-CD1 4.14Å; L91-L102 HydrophobicContact CD1-CD2 4.2Å; K98-L102 WeakPolarHBondContact O-CB 3.17Å; K98-L102 PolarHBondContact O-N 2.93Å; V99-L102 PolarHBondContact O-N 3.03Å; E100-L102 PolarHBondContact O-N 3.44Å; L102-F104 VanDerWaalsContact C-N 3.29Å; L102-F104 PolarHBondContact O-N 2.9Å; L102-R105 PolarHBondContact O-N 3.25Å; L102-R105 VanDerWaalsContact O-N 3.15Å; L102-M106 HydrophobicContact CG-SD 4.23Å; L102-M106 WeakPolarHBondContact O-CG 3.21Å; L102-M106 PolarHBondContact O-N 2.98Å
103C86.3Confident83.8Confident0 Ų065.5 Ų65.50%028%0.282CS..Hα-helixtrans-53.7-44.7173.3-92.30000111.9V99 E100 R105 M106 I107 A127 L131 M141V99-C103 WeakPolarHBondContact O-CB 3.41Å; V99-C103 PolarHBondContact O-N 3.15Å; E100-C103 WeakPolarHBondContact O-CB 3.07Å; E100-C103 PolarHBondContact O-N 3.46Å; C103-R105 VanDerWaalsContact C-N 3.35Å; C103-R105 PolarHBondContact O-N 3.01Å; C103-M106 PolarHBondContact O-N 2.92Å; C103-I107 HydrophobicContact CB-CD1 4.48Å; C103-I107 VanDerWaalsContact O-CB 3.3Å; C103-I107 WeakPolarHBondContact O-CB 3.21Å; C103-I107 WeakPolarHBondContact O-CD1 3.23Å; C103-I107 WeakPolarHBondContact O-CG1 3.47Å; C103-I107 PolarHBondContact O-N 3.34Å; C103-A127 WeakPolarHBondContact SG-CB 3.03Å; C103-L131 HydrophobicContact CB-CD1 4.03Å; C103-M141 HydrophobicContact CB-CE 3.67Å; C103-M141 HydrophobicContact CB-SD 3.7Å
104F86.1Confident84.2Confident85 Ų8557.8 Ų57.837%0.37325%0.249SC..Hα-helixtrans-65.3-35.5-179.8-163.6-102.6000112.9E100 R101 L102 R108 M141E100-F104 PolarHBondContact O-N 3.46Å; R101-F104 PolarHBondContact O-N 2.86Å; L102-F104 VanDerWaalsContact C-N 3.29Å; L102-F104 PolarHBondContact O-N 2.9Å; F104-R108 HydrophobicContact CE1-CG 4.31Å; F104-R108 WeakPolarHBondContact O-CB 3.47Å; F104-R108 WeakPolarHBondContact O-CG 3.17Å; F104-R108 PolarHBondContact O-N 3.33Å; F104-M141 HydrophobicContact CB-CE 4.21Å
105R85.3Confident84.4Confident88 Ų8859.3 Ų59.333%0.33226%0.261SS..Hα-helixtrans-65.9-44.6173.5-166.2175.2-175.3131.6-2.4111.2E64 D68 R101 L102 C103 R108 K109E64-R105 VanDerWaalsContact CG-CD 3.5Å; E64-R105 IonicContact OE2-CZ 3.38Å; E64-R105 IonicContact OE2-NH1 3.64Å; E64-R105 PolarHBondContact OE2-NH1 2.65Å; D68-R105 IonicContact OD1-NE 2.62Å; D68-R105 PolarHBondContact OD1-NE 2.96Å; D68-R105 IonicContact OD2-CZ 3.96Å; D68-R105 IonicContact OD2-NE 3.16Å; D68-R105 PolarHBondContact OD2-NE 2.79Å; D68-R105 VanDerWaalsContact OD2-NE 3.16Å; D68-R105 IonicContact OD2-NH2 2.79Å; D68-R105 PolarHBondContact OD2-NH2 3.21Å; R101-R105 PolarHBondContact O-N 3.08Å; L102-R105 PolarHBondContact O-N 3.25Å; L102-R105 VanDerWaalsContact O-N 3.15Å; C103-R105 VanDerWaalsContact C-N 3.35Å; C103-R105 PolarHBondContact O-N 3.01Å; R105-R108 PolarHBondContact O-N 3.23Å; R105-K109 PolarHBondContact O-N 2.64Å
106M85.2Confident84.4Confident1 Ų154.8 Ų54.81%0.00524%0.239CC..Hα-helixtrans-64-46.4175.7-64.7174.69400112.2V67 W71 L102 C103 R108 K109 L110 L120 V123 L124V67-M106 HydrophobicContact CG1-CE 4.18Å; V67-M106 HydrophobicContact CG1-CG 3.63Å; V67-M106 HydrophobicContact CG1-SD 4.32Å; V67-M106 HydrophobicContact CG2-CE 4.35Å; W71-M106 HydrophobicContact CH2-CB 4.49Å; W71-M106 VanDerWaalsContact CH2-O 3.29Å; W71-M106 WeakPolarHBondContact CH2-O 3.46Å; W71-M106 HydrophobicContact CZ3-CB 4Å; W71-M106 HydrophobicContact CZ3-CG 4.22Å; L102-M106 HydrophobicContact CG-SD 4.23Å; L102-M106 WeakPolarHBondContact O-CG 3.21Å; L102-M106 PolarHBondContact O-N 2.98Å; C103-M106 PolarHBondContact O-N 2.92Å; M106-R108 VanDerWaalsContact C-N 3.3Å; M106-R108 PolarHBondContact O-N 2.92Å; M106-K109 PolarHBondContact O-N 2.92Å; M106-L110 PolarHBondContact O-N 2.71Å; M106-L120 HydrophobicContact CE-CB 4.05Å; M106-L120 HydrophobicContact CE-CD2 4.14Å; M106-L120 WeakPolarHBondContact CE-O 3.12Å; M106-V123 HydrophobicContact CE-CB 4.34Å; M106-V123 HydrophobicContact CE-CG1 4.27Å; M106-L124 HydrophobicContact CB-CD1 3.85Å; M106-L124 HydrophobicContact CE-CB 4.18Å; M106-L124 HydrophobicContact SD-CB 4.48Å; M106-L124 HydrophobicContact SD-CD1 4.26Å
107I85.7Confident84.4Confident1 Ų154 Ų541%0.00524%0.237CC..Hα-helixtrans-57.6-42.8176.9-75.7164.7000110.9C103 K109 L110 L124 M141 L145 V148C103-I107 HydrophobicContact CB-CD1 4.48Å; C103-I107 VanDerWaalsContact O-CB 3.3Å; C103-I107 WeakPolarHBondContact O-CB 3.21Å; C103-I107 WeakPolarHBondContact O-CD1 3.23Å; C103-I107 WeakPolarHBondContact O-CG1 3.47Å; C103-I107 PolarHBondContact O-N 3.34Å; I107-K109 VanDerWaalsContact C-N 3.3Å; I107-K109 PolarHBondContact O-N 2.9Å; I107-L110 WeakPolarHBondContact O-CB 3.26Å; I107-L110 PolarHBondContact O-N 2.8Å; I107-L124 HydrophobicContact CG1-CD1 4.28Å; I107-M141 HydrophobicContact CD1-SD 3.5Å; I107-M141 WeakPolarHBondContact CD1-SD 3.25Å; I107-L145 HydrophobicContact CD1-CB 4.1Å; I107-L145 HydrophobicContact CG1-CB 4.3Å; I107-L145 HydrophobicContact CG1-CD1 4.07Å; I107-V148 HydrophobicContact CG2-CB 4.36Å; I107-V148 HydrophobicContact CG2-CG2 3.71Å
108R87.1Confident84Confident163 Ų16350.3 Ų50.362%0.61523%0.233SC*.Hα-helixtrans-64.1-30.7174.5-82.8-177.4157.4-167.1-4.6113.7F104 R105 M106F104-R108 HydrophobicContact CE1-CG 4.31Å; F104-R108 WeakPolarHBondContact O-CB 3.47Å; F104-R108 WeakPolarHBondContact O-CG 3.17Å; F104-R108 PolarHBondContact O-N 3.33Å; R105-R108 PolarHBondContact O-N 3.23Å; M106-R108 VanDerWaalsContact C-N 3.3Å; M106-R108 PolarHBondContact O-N 2.92Å
109K84.9Confident83.9Confident48 Ų4848.2 Ų48.221%0.20922%0.223CC..Hα-helixtrans-80.4-13.4177.8-82.6-166.7157.1-176.60114.8D68 W71 R105 M106 I107 I111 Y112D68-K109 VanDerWaalsContact CA-NZ 3.28Å; D68-K109 PolarHBondContact O-NZ 3.34Å; D68-K109 WeakPolarHBondContact OD1-CD 2.95Å; D68-K109 WeakPolarHBondContact OD1-CE 3.4Å; D68-K109 IonicContact OD1-NZ 3.42Å; D68-K109 PolarHBondContact OD1-NZ 3.39Å; D68-K109 IonicContact OD2-NZ 3.96Å; W71-K109 HydrophobicContact CB-CD 4.14Å; W71-K109 HydrophobicContact CD2-CB 3.68Å; W71-K109 HydrophobicContact CD2-CD 3.81Å; W71-K109 HydrophobicContact CD2-CG 4.38Å; W71-K109 HydrophobicContact CE3-CB 3.83Å; W71-K109 HydrophobicContact CE3-CD 3.95Å; W71-K109 HydrophobicContact CG-CB 4.37Å; W71-K109 HydrophobicContact CG-CD 3.86Å; W71-K109 HydrophobicContact CH2-CB 3.82Å; W71-K109 VanDerWaalsContact CZ2-C 3.41Å; W71-K109 HydrophobicContact CZ2-CB 3.66Å; W71-K109 WeakPolarHBondContact CZ2-O 3.44Å; W71-K109 HydrophobicContact CZ3-CB 3.91Å; W71-K109 PolarHBondContact NE1-O 2.71Å; R105-K109 PolarHBondContact O-N 2.64Å; M106-K109 PolarHBondContact O-N 2.92Å; I107-K109 VanDerWaalsContact C-N 3.3Å; I107-K109 PolarHBondContact O-N 2.9Å; K109-I111 PolarHBondContact O-N 3.37Å; K109-Y112 PolarHBondContact O-N 3.13Å
110L84.1Confident84Confident0 Ų048.2 Ų48.20%022%0.223CC..THydrogen-bonded Turntrans-57.8-15.2177.8-72.8172.8000115.3W71 M106 I107 Y112 F121 L145 W150 H151 N154 L158W71-L110 HydrophobicContact CH2-CD2 3.98Å; W71-L110 HydrophobicContact CH2-CG 4.26Å; W71-L110 HydrophobicContact CZ2-CD2 4.09Å; W71-L110 HydrophobicContact CZ2-CG 4.47Å; M106-L110 PolarHBondContact O-N 2.71Å; I107-L110 WeakPolarHBondContact O-CB 3.26Å; I107-L110 PolarHBondContact O-N 2.8Å; L110-Y112 VanDerWaalsContact C-N 3.27Å; L110-F121 HydrophobicContact CD2-CD1 4.28Å; L110-F121 HydrophobicContact CD2-CE1 3.51Å; L110-F121 HydrophobicContact CD2-CZ 3.87Å; L110-L145 HydrophobicContact CD1-CD1 3.34Å; L110-W150 CarbonylContact O-C 3.51Å; L110-H151 PolarHBondContact O-N 2.86Å; L110-N154 PolarHBondContact O-ND2 3.24Å; L110-N154 VanDerWaalsContact O-ND2 3.1Å; L110-L158 HydrophobicContact CD1-CD1 3.85Å; L110-L158 HydrophobicContact CD2-CD1 3.61Å; L110-L158 HydrophobicContact CG-CD1 4.42Å
111I85.3Confident84.1Confident84 Ų8445.5 Ų45.543%0.43121%0.211SC..THydrogen-bonded Turntrans-66.6-28.4172.7-58.3168.2000111.7K109 V148 E149K109-I111 PolarHBondContact O-N 3.37Å; I111-V148 HydrophobicContact CD1-CG1 4.02Å; I111-V148 HydrophobicContact CG1-CG1 3.6Å; I111-E149 WeakPolarHBondContact CA-O 3.38Å; I111-E149 WeakPolarHBondContact CG1-O 3.16Å
112Y85Confident84Confident152 Ų15241.1 Ų41.160%0.59620%0.196SC*.SBendtrans-101.9149.4-179.6-54.1-75.6000111.2W71 K109 L110 C114 N154W71-Y112 PolarHBondContact NE1-O 3.24Å; K109-Y112 PolarHBondContact O-N 3.13Å; L110-Y112 VanDerWaalsContact C-N 3.27Å; Y112-C114 PolarHBondContact O-N 2.63Å; Y112-N154 PolarHBondContact O-ND2 3.28Å
113V82.2Confident84Confident72 Ų7241.1 Ų41.144%0.43620%0.196SC..PPolyproline II helixtrans-50.7134.3169-175.70000109.4W71 H151W71-V113 VanDerWaalsContact CD1-O 3.26Å; W71-V113 PolarHBondContact NE1-O 3.37Å; V113-H151 VanDerWaalsContact CG2-CE1 3.45Å; V113-H151 WeakPolarHBondContact CG2-CE1 3.4Å
114C83.4Confident84Confident7 Ų741.1 Ų41.15%0.04720%0.196CC..PPolyproline II helixtrans-100.3124.9173.6-176.30000109.2W71 Y112 P117 F121 N154W71-C114 HydrophobicContact CD2-CB 4.37Å; W71-C114 HydrophobicContact CZ2-CB 4.06Å; Y112-C114 PolarHBondContact O-N 2.63Å; C114-P117 HydrophobicContact CB-CB 4.3Å; C114-P117 WeakPolarHBondContact O-CD 3.5Å; C114-F121 HydrophobicContact CB-CE1 4.27Å; C114-F121 HydrophobicContact CB-CZ 3.85Å; C114-N154 PolarHBondContact N-OD1 3.03Å; C114-N154 VanDerWaalsContact N-OD1 3.11Å
115S81.6Confident83.9Confident39 Ų3937.1 Ų37.127%0.27318%0.178SC..SBendtrans-69.4-38177.9-57.80000112.6W71 S72 P117W71-S115 PolarHBondContact O-N 3.46Å; W71-S115 PolarHBondContact O-OG 3.41Å; S72-S115 VanDerWaalsContact C-OG 3.3Å; S72-S115 PolarHBondContact O-OG 3.33Å; S115-P117 WeakPolarHBondContact O-CD 3.47Å
116E81.2Confident83.8Confident6 Ų636.8 Ų36.83%0.02818%0.177CC..  trans-116.262.5178.8-74.3-68.9171.500113.1L70 V75 R80 S118 L119 L120L70-E116 HydrophobicContact CD2-CG 4.47Å; L70-E116 PolarHBondContact O-N 3.09Å; V75-E116 HydrophobicContact CB-CG 4.45Å; V75-E116 PolarHBondContact N-OE1 3.32Å; R80-E116 IonicContact CZ-OE1 3.77Å; R80-E116 IonicContact CZ-OE2 2.66Å; R80-E116 IonicContact NE-OE1 2.65Å; R80-E116 PolarHBondContact NE-OE1 3.06Å; R80-E116 IonicContact NE-OE2 2.74Å; R80-E116 PolarHBondContact NE-OE2 2.88Å; R80-E116 IonicContact NH2-OE1 3.68Å; R80-E116 PolarHBondContact NH2-OE1 3.27Å; R80-E116 IonicContact NH2-OE2 2.72Å; R80-E116 PolarHBondContact NH2-OE2 2.93Å; E116-S118 VanDerWaalsContact C-N 3.26Å; E116-S118 PolarHBondContact O-N 2.97Å; E116-L119 HydrophobicContact CB-CB 4.41Å; E116-L119 PolarHBondContact O-N 3.11Å; E116-L120 PolarHBondContact O-N 3.12Å
117P81.2Confident83.7Confident27 Ų2736.7 Ų36.718%0.17518%0.177CC..Hα-helixtrans-66.8-29.9-17429.1-34.5000112.1C114 S115 L119 F121 C157C114-P117 HydrophobicContact CB-CB 4.3Å; C114-P117 WeakPolarHBondContact O-CD 3.5Å; S115-P117 WeakPolarHBondContact O-CD 3.47Å; P117-L119 VanDerWaalsContact C-N 3.27Å; P117-L119 PolarHBondContact O-N 3.21Å; P117-F121 HydrophobicContact CB-CD2 3.72Å; P117-F121 HydrophobicContact CB-CE2 3.37Å; P117-F121 HydrophobicContact CB-CZ 3.95Å; P117-F121 VanDerWaalsContact O-CB 3.26Å; P117-F121 WeakPolarHBondContact O-CB 3.45Å; P117-F121 WeakPolarHBondContact O-CD2 3.39Å; P117-F121 VanDerWaalsContact O-CG 3.31Å; P117-F121 WeakPolarHBondContact O-CG 3.22Å; P117-F121 PolarHBondContact O-N 3.34Å; P117-C157 HydrophobicContact CB-CB 3.93Å; P117-C157 HydrophobicContact CG-CB 4.41Å
118S77.1Confident83.6Confident65 Ų6536.8 Ų36.846%0.45518%0.177SC..Hα-helixtrans-63-32.9178.6710000113.5E116E116-S118 VanDerWaalsContact C-N 3.26Å; E116-S118 PolarHBondContact O-N 2.97Å
119L81.2Confident83.4Confident3 Ų330.1 Ų30.12%0.01616%0.155CC..Hα-helixtrans-89.6-51.9-179.917160000110.5L70 R80 F83 F84 L87 E116 P117 F121 D122 V123L70-L119 HydrophobicContact CD1-CD2 3.77Å; L70-L119 HydrophobicContact CD2-CD2 3.99Å; L70-L119 HydrophobicContact CG-CD2 4.48Å; R80-L119 HydrophobicContact CG-CD2 4.36Å; F83-L119 HydrophobicContact CB-CD2 3.71Å; F84-L119 HydrophobicContact CB-CD1 3.82Å; F84-L119 HydrophobicContact CD2-CD1 3.9Å; F84-L119 HydrophobicContact CG-CD1 4.33Å; L87-L119 HydrophobicContact CD1-CD1 4.31Å; L87-L119 HydrophobicContact CD1-CG 4.36Å; E116-L119 HydrophobicContact CB-CB 4.41Å; E116-L119 PolarHBondContact O-N 3.11Å; P117-L119 VanDerWaalsContact C-N 3.27Å; P117-L119 PolarHBondContact O-N 3.21Å; L119-F121 PolarHBondContact O-N 3.49Å; L119-D122 PolarHBondContact O-N 3.43Å; L119-V123 WeakPolarHBondContact O-CG2 3.45Å; L119-V123 PolarHBondContact O-N 2.73Å
120L85.1Confident83.3Confident0 Ų029.7 Ų29.70%015%0.153CC..Hα-helixtrans-71.4-31.8-172.9-67.8179.6000112.9V67 L70 W71 L87 M106 E116 L124V67-L120 HydrophobicContact CB-CD2 4.34Å; V67-L120 HydrophobicContact CG1-CD2 4.29Å; V67-L120 HydrophobicContact CG2-CD2 3.99Å; L70-L120 HydrophobicContact CB-CD1 3.77Å; L70-L120 HydrophobicContact CB-CD2 3.99Å; L70-L120 HydrophobicContact CB-CG 4.1Å; L70-L120 HydrophobicContact CD1-CD2 4.01Å; W71-L120 HydrophobicContact CB-CD1 4.27Å; W71-L120 HydrophobicContact CD2-CD1 4.2Å; W71-L120 HydrophobicContact CE3-CD1 3.73Å; W71-L120 HydrophobicContact CG-CD1 4.49Å; W71-L120 HydrophobicContact CZ3-CD1 4.36Å; L87-L120 HydrophobicContact CD1-CD2 4.34Å; M106-L120 HydrophobicContact CE-CB 4.05Å; M106-L120 HydrophobicContact CE-CD2 4.14Å; M106-L120 WeakPolarHBondContact CE-O 3.12Å; E116-L120 PolarHBondContact O-N 3.12Å; L120-L124 WeakPolarHBondContact O-CB 3.44Å; L120-L124 PolarHBondContact O-N 3.38Å
121F87Confident83.1Confident1 Ų130 Ų300%0.00415%0.154CC..Hα-helixtrans-80-20.3176.1-53.8-23.6000113W71 L110 C114 P117 L119 A125 N154 C157 L158 I161W71-F121 AromaticContact CH2-CE1 3.92Å; W71-F121 HydrophobicContact CH2-CE1 3.92Å; W71-F121 HydrophobicContact CZ2-CE1 4.13Å; L110-F121 HydrophobicContact CD2-CD1 4.28Å; L110-F121 HydrophobicContact CD2-CE1 3.51Å; L110-F121 HydrophobicContact CD2-CZ 3.87Å; C114-F121 HydrophobicContact CB-CE1 4.27Å; C114-F121 HydrophobicContact CB-CZ 3.85Å; P117-F121 HydrophobicContact CB-CD2 3.72Å; P117-F121 HydrophobicContact CB-CE2 3.37Å; P117-F121 HydrophobicContact CB-CZ 3.95Å; P117-F121 VanDerWaalsContact O-CB 3.26Å; P117-F121 WeakPolarHBondContact O-CB 3.45Å; P117-F121 WeakPolarHBondContact O-CD2 3.39Å; P117-F121 VanDerWaalsContact O-CG 3.31Å; P117-F121 WeakPolarHBondContact O-CG 3.22Å; P117-F121 PolarHBondContact O-N 3.34Å; L119-F121 PolarHBondContact O-N 3.49Å; F121-A125 VanDerWaalsContact O-CB 3.25Å; F121-A125 WeakPolarHBondContact O-CB 3.22Å; F121-A125 PolarHBondContact O-N 2.79Å; F121-N154 HydrophobicContact CE2-CB 4Å; F121-N154 HydrophobicContact CZ-CB 3.8Å; F121-C157 HydrophobicContact CD2-CB 3.9Å; F121-C157 HydrophobicContact CE2-CB 4.06Å; F121-L158 HydrophobicContact CD2-CB 3.84Å; F121-L158 HydrophobicContact CE2-CB 4.07Å; F121-L158 HydrophobicContact CG-CB 4.36Å; F121-I161 HydrophobicContact CB-CB 4.48Å; F121-I161 HydrophobicContact CB-CD1 3.9Å; F121-I161 HydrophobicContact CB-CG2 4.44Å; F121-I161 WeakPolarHBondContact O-CG2 3.36Å
122D83.6Confident82.6Confident21 Ų2127.8 Ų27.811%0.11214%0.142CC..Hα-helixtrans-68.8-46.2169.6-168.974.2000110.6F84 N88 L119 A125 R126 I161 Y165F84-D122 HydrophobicContact CE2-CB 4.32Å; F84-D122 VanDerWaalsContact CE2-OD2 3.24Å; F84-D122 WeakPolarHBondContact CE2-OD2 3.15Å; N88-D122 PolarHBondContact ND2-OD2 3.24Å; L119-D122 PolarHBondContact O-N 3.43Å; D122-A125 PolarHBondContact O-N 3Å; D122-R126 WeakPolarHBondContact O-CG 3.39Å; D122-R126 PolarHBondContact O-N 2.96Å; D122-R126 IonicContact OD2-CZ 3.98Å; D122-R126 VanDerWaalsContact OD2-CZ 3.3Å; D122-R126 IonicContact OD2-NE 3.51Å; D122-R126 PolarHBondContact OD2-NE 3.31Å; D122-R126 IonicContact OD2-NH2 2.83Å; D122-R126 PolarHBondContact OD2-NH2 3.16Å; D122-I161 HydrophobicContact CB-CG2 4.35Å; D122-Y165 VanDerWaalsContact OD1-CE2 3.29Å; D122-Y165 WeakPolarHBondContact OD1-CE2 3.37Å; D122-Y165 PolarHBondContact OD1-OH 3.15Å; D122-Y165 PolarHBondContact OD2-OH 3.27Å
123V84.8Confident82.2Confident0 Ų026.3 Ų26.30%014%0.144CC..Hα-helixtrans-61.4-44.2174.31760000110.9L87 L91 M106 L119 A127L87-V123 HydrophobicContact CB-CG1 4.31Å; L87-V123 HydrophobicContact CB-CG2 3.56Å; L87-V123 HydrophobicContact CD1-CG2 4.02Å; L87-V123 HydrophobicContact CG-CG2 4.41Å; L91-V123 HydrophobicContact CD1-CG1 4.22Å; M106-V123 HydrophobicContact CE-CB 4.34Å; M106-V123 HydrophobicContact CE-CG1 4.27Å; L119-V123 WeakPolarHBondContact O-CG2 3.45Å; L119-V123 PolarHBondContact O-N 2.73Å; V123-A127 WeakPolarHBondContact O-CB 3.47Å; V123-A127 PolarHBondContact O-N 3.31Å
124L86.7Confident81.7Confident1 Ų123.9 Ų23.91%0.00513%0.131CC..Hα-helixtrans-58.5-47.4173.2-176.575.3000111.4M106 I107 L120 A127 L128 L158M106-L124 HydrophobicContact CB-CD1 3.85Å; M106-L124 HydrophobicContact CE-CB 4.18Å; M106-L124 HydrophobicContact SD-CB 4.48Å; M106-L124 HydrophobicContact SD-CD1 4.26Å; I107-L124 HydrophobicContact CG1-CD1 4.28Å; L120-L124 WeakPolarHBondContact O-CB 3.44Å; L120-L124 PolarHBondContact O-N 3.38Å; L124-A127 PolarHBondContact O-N 2.57Å; L124-L128 HydrophobicContact CD2-CD1 4.48Å; L124-L128 HydrophobicContact CG-CD1 4.02Å; L124-L128 HydrophobicContact CG-CG 4.46Å; L124-L128 WeakPolarHBondContact O-CB 3.49Å; L124-L128 VanDerWaalsContact O-CG 3.25Å; L124-L128 WeakPolarHBondContact O-CG 3.24Å; L124-L128 PolarHBondContact O-N 3.22Å; L124-L158 HydrophobicContact CD2-CD1 4.13Å
125A83.7Confident80.9Confident0 Ų031.7 Ų31.70%017%0.172CC..Hα-helixtrans-65.2-41.3-177.200000112.3F121 D122 L128 V129 I161 L162 Y165F121-A125 VanDerWaalsContact O-CB 3.25Å; F121-A125 WeakPolarHBondContact O-CB 3.22Å; F121-A125 PolarHBondContact O-N 2.79Å; D122-A125 PolarHBondContact O-N 3Å; A125-L128 PolarHBondContact O-N 2.92Å; A125-V129 WeakPolarHBondContact O-CG2 3.47Å; A125-V129 PolarHBondContact O-N 3.28Å; A125-I161 HydrophobicContact CB-CG2 4.21Å; A125-L162 HydrophobicContact CB-CD2 3.71Å; A125-Y165 HydrophobicContact CB-CD2 3.29Å; A125-Y165 HydrophobicContact CB-CE2 3.71Å; A125-Y165 HydrophobicContact CB-CG 3.81Å
126R84.3Confident80Confident81 Ų8134.7 Ų34.731%0.30619%0.189SC..Hα-helixtrans-65-42.5172.2-68.2-172.8-151.9-149.51.9112.5N88 L91 D122 L128 V129 K130 Y165N88-R126 VanDerWaalsContact CG-CZ 3.45Å; N88-R126 VanDerWaalsContact ND2-CZ 3.28Å; N88-R126 PolarHBondContact ND2-NE 3.06Å; N88-R126 PolarHBondContact ND2-NH2 3.48Å; N88-R126 VanDerWaalsContact OD1-CD 3.28Å; N88-R126 WeakPolarHBondContact OD1-CD 3.36Å; N88-R126 PolarHBondContact OD1-NE 2.8Å; L91-R126 HydrophobicContact CD2-CB 3.55Å; D122-R126 WeakPolarHBondContact O-CG 3.39Å; D122-R126 PolarHBondContact O-N 2.96Å; D122-R126 IonicContact OD2-CZ 3.98Å; D122-R126 VanDerWaalsContact OD2-CZ 3.3Å; D122-R126 IonicContact OD2-NE 3.51Å; D122-R126 PolarHBondContact OD2-NE 3.31Å; D122-R126 IonicContact OD2-NH2 2.83Å; D122-R126 PolarHBondContact OD2-NH2 3.16Å; R126-L128 VanDerWaalsContact C-N 3.32Å; R126-L128 PolarHBondContact O-N 2.8Å; R126-V129 PolarHBondContact O-N 3.19Å; R126-K130 WeakPolarHBondContact O-CB 3.48Å; R126-K130 PolarHBondContact O-N 3.42Å; R126-Y165 HydrophobicContact CG-CD1 4.35Å; R126-Y165 HydrophobicContact CG-CE1 3.49Å; R126-Y165 VanDerWaalsContact CG-CE1 3.49Å; R126-Y165 PolarHBondContact NE-OH 3.47Å; R126-Y165 PolarHBondContact NH2-OH 3.21Å
127A83.8Confident79.1Confident0 Ų035.6 Ų35.60%020%0.195CC..Hα-helixtrans-63.1-40.3178.300000111.1L91 V99 C103 V123 L124 K130 L131L91-A127 HydrophobicContact CD1-CB 4.42Å; L91-A127 HydrophobicContact CD2-CB 4.1Å; V99-A127 HydrophobicContact CG1-CB 3.63Å; C103-A127 WeakPolarHBondContact SG-CB 3.03Å; V123-A127 WeakPolarHBondContact O-CB 3.47Å; V123-A127 PolarHBondContact O-N 3.31Å; L124-A127 PolarHBondContact O-N 2.57Å; A127-K130 PolarHBondContact O-N 3.43Å; A127-L131 WeakPolarHBondContact O-CB 3.4Å; A127-L131 WeakPolarHBondContact O-CD1 3.25Å; A127-L131 WeakPolarHBondContact O-CG 3.29Å; A127-L131 PolarHBondContact O-N 3.11Å
128L83.4Confident77.8Confident3 Ų342.9 Ų42.92%0.01623%0.232CC..Hα-helixtrans-62.2-47.2171.9-70.7170000112.1L124 A125 R126 K130 L131 E132 M141 V142 L145 L162 L167L124-L128 HydrophobicContact CD2-CD1 4.48Å; L124-L128 HydrophobicContact CG-CD1 4.02Å; L124-L128 HydrophobicContact CG-CG 4.46Å; L124-L128 WeakPolarHBondContact O-CB 3.49Å; L124-L128 VanDerWaalsContact O-CG 3.25Å; L124-L128 WeakPolarHBondContact O-CG 3.24Å; L124-L128 PolarHBondContact O-N 3.22Å; A125-L128 PolarHBondContact O-N 2.92Å; R126-L128 VanDerWaalsContact C-N 3.32Å; R126-L128 PolarHBondContact O-N 2.8Å; L128-K130 VanDerWaalsContact C-N 3.34Å; L128-K130 PolarHBondContact O-N 3.05Å; L128-L131 PolarHBondContact O-N 2.89Å; L128-E132 WeakPolarHBondContact O-CB 3.22Å; L128-E132 PolarHBondContact O-N 2.96Å; L128-M141 HydrophobicContact CD2-CB 3.7Å; L128-M141 HydrophobicContact CD2-CG 4.17Å; L128-M141 HydrophobicContact CD2-SD 4.44Å; L128-V142 HydrophobicContact CD2-CG2 4.34Å; L128-L145 HydrophobicContact CD1-CD2 4.07Å; L128-L162 HydrophobicContact CD1-CD2 3.92Å; L128-L167 HydrophobicContact CB-CD2 3.95Å
129V82.3Confident77Confident23 Ų2342.4 Ų42.414%0.13923%0.228CC..Hα-helixtrans-61.3-40176169.50000111.7A125 R126 N133 Y165 L167A125-V129 WeakPolarHBondContact O-CG2 3.47Å; A125-V129 PolarHBondContact O-N 3.28Å; R126-V129 PolarHBondContact O-N 3.19Å; V129-N133 PolarHBondContact O-N 3.16Å; V129-N133 VanDerWaalsContact O-N 3.15Å; V129-N133 PolarHBondContact O-ND2 2.72Å; V129-Y165 HydrophobicContact CG2-CD1 4.31Å; V129-L167 HydrophobicContact CG2-CD2 3.73Å; V129-L167 HydrophobicContact CG2-CG 4.32Å
130K81.7Confident76.3Confident38 Ų3844.4 Ų44.417%0.16524%0.242CC..Hα-helixtrans-65-49176.9178.7170.7169.2178.20111.5L91 D92 L94 D96 V99 R126 A127 L128 E132 N133 S134L91-K130 PolarHBondContact O-NZ 2.99Å; D92-K130 VanDerWaalsContact C-NZ 3.25Å; D92-K130 PolarHBondContact O-NZ 2.77Å; L94-K130 PolarHBondContact O-NZ 3.01Å; D96-K130 VanDerWaalsContact OD1-CE 3.25Å; D96-K130 WeakPolarHBondContact OD1-CE 3.4Å; V99-K130 HydrophobicContact CG2-CD 4.39Å; R126-K130 WeakPolarHBondContact O-CB 3.48Å; R126-K130 PolarHBondContact O-N 3.42Å; A127-K130 PolarHBondContact O-N 3.43Å; L128-K130 VanDerWaalsContact C-N 3.34Å; L128-K130 PolarHBondContact O-N 3.05Å; K130-E132 VanDerWaalsContact C-N 3.31Å; K130-E132 PolarHBondContact O-N 3.18Å; K130-N133 PolarHBondContact O-N 3.28Å; K130-S134 PolarHBondContact O-N 2.72Å
131L80.3Confident75.8Confident6 Ų645 Ų453%0.03125%0.245CC..Hα-helixtrans-62.9-36.8178.9-68.5168.6000112.3D96 V99 E100 C103 A127 L128 N133 S134 V137 M141D96-L131 HydrophobicContact CB-CD2 4.3Å; D96-L131 VanDerWaalsContact O-CD2 3.25Å; D96-L131 WeakPolarHBondContact O-CD2 3.47Å; V99-L131 HydrophobicContact CB-CD2 4Å; V99-L131 HydrophobicContact CB-CG 4.29Å; V99-L131 HydrophobicContact CG1-CD1 4.01Å; V99-L131 HydrophobicContact CG1-CD2 4.13Å; V99-L131 HydrophobicContact CG1-CG 3.85Å; E100-L131 HydrophobicContact CB-CD1 4.37Å; E100-L131 HydrophobicContact CB-CD2 3.94Å; C103-L131 HydrophobicContact CB-CD1 4.03Å; A127-L131 WeakPolarHBondContact O-CB 3.4Å; A127-L131 WeakPolarHBondContact O-CD1 3.25Å; A127-L131 WeakPolarHBondContact O-CG 3.29Å; A127-L131 PolarHBondContact O-N 3.11Å; L128-L131 PolarHBondContact O-N 2.89Å; L131-N133 VanDerWaalsContact C-N 3.29Å; L131-N133 PolarHBondContact O-N 2.52Å; L131-S134 WeakPolarHBondContact O-CB 3.3Å; L131-S134 PolarHBondContact O-N 3.45Å; L131-S134 VanDerWaalsContact O-N 3.13Å; L131-V137 HydrophobicContact CD2-CG2 3.83Å; L131-M141 HydrophobicContact CD1-CE 4.47Å; L131-M141 HydrophobicContact CD1-CG 3.7Å
132E76.3Confident75.4Confident38 Ų3845.1 Ų45.118%0.17825%0.246CC..Hα-helixtrans-75.4-16.4178.6-173.2166.4-125.800113.9L128 K130 L167 Q168 S171L128-E132 WeakPolarHBondContact O-CB 3.22Å; L128-E132 PolarHBondContact O-N 2.96Å; K130-E132 VanDerWaalsContact C-N 3.31Å; K130-E132 PolarHBondContact O-N 3.18Å; E132-L167 WeakPolarHBondContact OE2-CA 3.4Å; E132-L167 WeakPolarHBondContact OE2-CB 3.13Å; E132-L167 WeakPolarHBondContact OE2-CD2 3.23Å; E132-Q168 HydrophobicContact CG-CB 4.39Å; E132-Q168 HydrophobicContact CG-CG 3.71Å; E132-Q168 PolarHBondContact O-NE2 2.83Å; E132-Q168 WeakPolarHBondContact OE1-CB 3.38Å; E132-Q168 PolarHBondContact OE2-N 3.04Å; E132-S171 WeakPolarHBondContact OE1-CB 3.32Å; E132-S171 PolarHBondContact OE1-OG 3Å
133N75.6Confident75.2Confident121 Ų12147.9 Ų47.965%0.64726%0.261SS*.Hα-helixtrans-91.1-7.6167.3-75.3-63.1000113.1V129 K130 L131V129-N133 PolarHBondContact O-N 3.16Å; V129-N133 VanDerWaalsContact O-N 3.15Å; V129-N133 PolarHBondContact O-ND2 2.72Å; K130-N133 PolarHBondContact O-N 3.28Å; L131-N133 VanDerWaalsContact C-N 3.29Å; L131-N133 PolarHBondContact O-N 2.52Å
134S72.3Confident74.9Confident22 Ų2249.2 Ų49.215%0.15427%0.27CS..  trans-85.2133.6178.6-178.50000112.3D96 K130 L131 T136D96-S134 VanDerWaalsContact OD2-CB 3.23Å; D96-S134 WeakPolarHBondContact OD2-CB 3.46Å; D96-S134 PolarHBondContact OD2-OG 3.48Å; K130-S134 PolarHBondContact O-N 2.72Å; L131-S134 WeakPolarHBondContact O-CB 3.3Å; L131-S134 PolarHBondContact O-N 3.45Å; L131-S134 VanDerWaalsContact O-N 3.13Å; S134-T136 VanDerWaalsContact C-N 3.27Å; S134-T136 PolarHBondContact O-N 2.84Å; S134-T136 PolarHBondContact OG-N 3.19Å; S134-T136 PolarHBondContact OG-OG1 3.36Å; S134-T136 VanDerWaalsContact OG-OG1 3.07Å
135N65.5Low74.7Confident170 Ų17049.1 Ų49.191%0.90927%0.27SS*.THydrogen-bonded Turntrans-78.1-6.4174.8-69.6-51.4000113.6
136T63.2Low74.6Confident102 Ų10250 Ų5063%0.62628%0.276SS*.THydrogen-bonded Turntrans-91-20.7-176.763.70000113.7S134 L138S134-T136 VanDerWaalsContact C-N 3.27Å; S134-T136 PolarHBondContact O-N 2.84Å; S134-T136 PolarHBondContact OG-N 3.19Å; S134-T136 PolarHBondContact OG-OG1 3.36Å; S134-T136 VanDerWaalsContact OG-OG1 3.07Å; T136-L138 PolarHBondContact O-N 3.38Å
137V62.4Low74.4Confident25 Ų2550.1 Ų50.115%0.15229%0.289CS..  trans-90.791.2-169.9-169.50000109.9D96 L131 S139D96-V137 HydrophobicContact CB-CG2 4.33Å; L131-V137 HydrophobicContact CD2-CG2 3.83Å; V137-S139 WeakPolarHBondContact CG1-O 3.41Å; V137-S139 PolarHBondContact O-N 2.9Å
138L53.9Low74.3Confident181 Ų18151.3 Ų51.395%0.94830%0.296SS*.  trans-68.3-18.7-179.9-76.1165.6000113.9T136T136-L138 PolarHBondContact O-N 3.38Å
139S59.8Low74.1Confident55 Ų5557.9 Ų57.939%0.38533%0.326SS..SBendtrans-93.5131.1178.298.40000110.6E100 V137 M141E100-S139 PolarHBondContact OE1-OG 3.15Å; V137-S139 WeakPolarHBondContact CG1-O 3.41Å; V137-S139 PolarHBondContact O-N 2.9Å; S139-M141 PolarHBondContact O-N 2.84Å
140S65.8Low74.1Confident44 Ų4456.9 Ų56.931%0.30832%0.32SS..  trans-70.7104.8171.7-179.70000108.2V142 D143S140-V142 PolarHBondContact O-N 3.25Å; S140-D143 VanDerWaalsContact CB-OD2 3.3Å; S140-D143 WeakPolarHBondContact CB-OD2 3.4Å; S140-D143 WeakPolarHBondContact O-CB 3.45Å; S140-D143 PolarHBondContact O-N 2.85Å
141M75.6Confident74.2Confident12 Ų1258.1 Ų58.16%0.05933%0.327CS..Hα-helixtrans-49.6-32.1175.3-113.4-61.3158.300113E100 C103 F104 I107 L128 L131 S139 S144 L145E100-M141 HydrophobicContact CB-CE 4.28Å; E100-M141 HydrophobicContact CG-CE 3.7Å; E100-M141 WeakPolarHBondContact O-CE 3.5Å; C103-M141 HydrophobicContact CB-CE 3.67Å; C103-M141 HydrophobicContact CB-SD 3.7Å; F104-M141 HydrophobicContact CB-CE 4.21Å; I107-M141 HydrophobicContact CD1-SD 3.5Å; I107-M141 WeakPolarHBondContact CD1-SD 3.25Å; L128-M141 HydrophobicContact CD2-CB 3.7Å; L128-M141 HydrophobicContact CD2-CG 4.17Å; L128-M141 HydrophobicContact CD2-SD 4.44Å; L131-M141 HydrophobicContact CD1-CE 4.47Å; L131-M141 HydrophobicContact CD1-CG 3.7Å; S139-M141 PolarHBondContact O-N 2.84Å; M141-S144 WeakPolarHBondContact O-CA 3.38Å; M141-S144 WeakPolarHBondContact O-CB 3.33Å; M141-S144 PolarHBondContact O-N 3.1Å; M141-S144 VanDerWaalsContact O-N 3.11Å; M141-L145 PolarHBondContact O-N 3.04Å
142V77.8Confident74Confident4 Ų461.3 Ų61.32%0.02434%0.343CS..Hα-helixtrans-74.1-24.7-179.1177.60000112.5L128 S140 L145 C146 S171 K174 I175L128-V142 HydrophobicContact CD2-CG2 4.34Å; S140-V142 PolarHBondContact O-N 3.25Å; V142-L145 PolarHBondContact O-N 2.83Å; V142-C146 WeakPolarHBondContact O-CB 3.49Å; V142-C146 PolarHBondContact O-N 3.31Å; V142-S171 WeakPolarHBondContact CG1-O 3.15Å; V142-K174 HydrophobicContact CG1-CB 4.3Å; V142-I175 HydrophobicContact CG1-CD1 3.82Å; V142-I175 HydrophobicContact CG1-CG1 3.67Å
143D79.4Confident74.1Confident80 Ų8064.7 Ų64.743%0.42836%0.359SS..Hα-helixtrans-65.3-39.4164.9-75.9-45.5000111.3S140 C146 S147 K174S140-D143 VanDerWaalsContact CB-OD2 3.3Å; S140-D143 WeakPolarHBondContact CB-OD2 3.4Å; S140-D143 WeakPolarHBondContact O-CB 3.45Å; S140-D143 PolarHBondContact O-N 2.85Å; D143-C146 PolarHBondContact O-N 2.7Å; D143-S147 WeakPolarHBondContact O-CB 3Å; D143-S147 PolarHBondContact O-N 3.3Å; D143-K174 WeakPolarHBondContact OD1-CD 3.34Å; D143-K174 WeakPolarHBondContact OD1-CE 3.45Å; D143-K174 IonicContact OD1-NZ 3.81Å; D143-K174 PolarHBondContact OD1-NZ 3.36Å; D143-K174 IonicContact OD2-NZ 3.67Å; D143-K174 PolarHBondContact OD2-NZ 2.84Å
144S80.2Confident74.5Confident27 Ų2759.1 Ų59.119%0.18933%0.33CS..Hα-helixtrans-63.8-46.9173.6-67.40000111M141 C146 S147M141-S144 WeakPolarHBondContact O-CA 3.38Å; M141-S144 WeakPolarHBondContact O-CB 3.33Å; M141-S144 PolarHBondContact O-N 3.1Å; M141-S144 VanDerWaalsContact O-N 3.11Å; S144-C146 PolarHBondContact O-N 3.21Å; S144-S147 PolarHBondContact O-N 2.79Å; S144-S147 PolarHBondContact O-OG 2.75Å
145L82.5Confident75Confident0 Ų058.1 Ų58.10%032%0.323CS..Hα-helixtrans-56.4-47.6175.217864.2000112.1I107 L110 L128 M141 V142 W150 L158 L162 I175I107-L145 HydrophobicContact CD1-CB 4.1Å; I107-L145 HydrophobicContact CG1-CB 4.3Å; I107-L145 HydrophobicContact CG1-CD1 4.07Å; L110-L145 HydrophobicContact CD1-CD1 3.34Å; L128-L145 HydrophobicContact CD1-CD2 4.07Å; M141-L145 PolarHBondContact O-N 3.04Å; V142-L145 PolarHBondContact O-N 2.83Å; L145-W150 HydrophobicContact CD1-CZ2 4.47Å; L145-W150 HydrophobicContact CG-CZ2 4.11Å; L145-W150 PolarHBondContact O-NE1 3.11Å; L145-L158 HydrophobicContact CD1-CD1 4.43Å; L145-L162 HydrophobicContact CD2-CD1 4.38Å; L145-I175 HydrophobicContact CD2-CD1 4.19Å; L145-I175 HydrophobicContact CD2-CG1 4.17Å
146C79.8Confident75.8Confident19 Ų1951.9 Ų51.913%0.12829%0.288CS..Hα-helixtrans-77.9-15.1-179.3-72.20000114V142 D143 S144 K174 K178V142-C146 WeakPolarHBondContact O-CB 3.49Å; V142-C146 PolarHBondContact O-N 3.31Å; D143-C146 PolarHBondContact O-N 2.7Å; S144-C146 PolarHBondContact O-N 3.21Å; C146-K174 VanDerWaalsContact SG-C 3.51Å; C146-K174 PolarHBondContact SG-O 2.9Å; C146-K178 HydrophobicContact CB-CB 4.23Å; C146-K178 HydrophobicContact CB-CG 4.44Å; C146-K178 VanDerWaalsContact O-CD 3.25Å; C146-K178 WeakPolarHBondContact O-CD 3.41Å; C146-K178 WeakPolarHBondContact O-CE 3.42Å; C146-K178 PolarHBondContact O-NZ 2.87Å
147S80.7Confident76.7Confident83 Ų8349.1 Ų49.158%0.5827%0.273SS*.Hα-helixtrans-68.4-43.6171.674.90000111.6D143 S144 K178D143-S147 WeakPolarHBondContact O-CB 3Å; D143-S147 PolarHBondContact O-N 3.3Å; S144-S147 PolarHBondContact O-N 2.79Å; S144-S147 PolarHBondContact O-OG 2.75Å; S147-K178 PolarHBondContact O-NZ 3.37Å; S147-K178 VanDerWaalsContact O-NZ 3.13Å
148V82Confident77.7Confident24 Ų2447.9 Ų47.915%0.14527%0.266CS..SBendtrans-70.8155.7-173.6178.20000112.5I107 I111 K178I107-V148 HydrophobicContact CG2-CB 4.36Å; I107-V148 HydrophobicContact CG2-CG2 3.71Å; I111-V148 HydrophobicContact CD1-CG1 4.02Å; I111-V148 HydrophobicContact CG1-CG1 3.6Å; V148-K178 WeakPolarHBondContact O-CE 3.38Å; V148-K178 PolarHBondContact O-NZ 3.01Å
149E78.9Confident79.1Confident141 Ų14139.3 Ų39.366%0.65922%0.221SC*.  trans-88.9108.9170.9-61.6-167.5158.500111I111I111-E149 WeakPolarHBondContact CA-O 3.38Å; I111-E149 WeakPolarHBondContact CG1-O 3.16Å
150W83.3Confident80.1Confident3 Ų339.1 Ų39.11%0.01122%0.215CC..  trans-74.6133.6176.4-42.4-26.1000111.1L110 L145 I155 L158 L159 I175 K178 K182L110-W150 CarbonylContact O-C 3.51Å; L145-W150 HydrophobicContact CD1-CZ2 4.47Å; L145-W150 HydrophobicContact CG-CZ2 4.11Å; L145-W150 PolarHBondContact O-NE1 3.11Å; W150-I155 HydrophobicContact CB-CD1 4.35Å; W150-I155 HydrophobicContact CB-CG1 3.98Å; W150-I155 HydrophobicContact CE3-CD1 4.43Å; W150-I155 HydrophobicContact CE3-CG1 4.21Å; W150-I155 HydrophobicContact CE3-CG2 3.94Å; W150-I155 HydrophobicContact CZ3-CG2 4.23Å; W150-L158 HydrophobicContact CD2-CD2 4.38Å; W150-L158 HydrophobicContact CE3-CD2 4.08Å; W150-L158 HydrophobicContact CH2-CD2 4.23Å; W150-L158 HydrophobicContact CZ3-CD2 3.99Å; W150-L159 HydrophobicContact CZ3-CD2 4.41Å; W150-I175 HydrophobicContact CH2-CG2 4.14Å; W150-K178 HydrophobicContact CH2-CB 4.06Å; W150-K178 HydrophobicContact CH2-CG 3.96Å; W150-K178 HydrophobicContact CZ2-CB 4.2Å; W150-K178 HydrophobicContact CZ2-CG 3.79Å; W150-K178 HydrophobicContact CZ3-CG 4.47Å; W150-K182 PolarHBondContact O-NZ 3.45Å
151H82.1Confident80.8Confident64 Ų6438.2 Ų38.230%0.29621%0.207SC..  trans-60.1138.6172.1-167.5-105.9000111L110 V113 E153 N154 I155L110-H151 PolarHBondContact O-N 2.86Å; V113-H151 VanDerWaalsContact CG2-CE1 3.45Å; V113-H151 WeakPolarHBondContact CG2-CE1 3.4Å; H151-E153 VanDerWaalsContact C-N 3.25Å; H151-E153 IonicContact CE1-OE2 3.49Å; H151-E153 PolarHBondContact CE1-OE2 2.99Å; H151-E153 VanDerWaalsContact CE1-OE2 3.29Å; H151-E153 IonicContact ND1-OE2 2.74Å; H151-E153 PolarHBondContact O-N 3.2Å; H151-E153 VanDerWaalsContact O-N 3.12Å; H151-N154 HydrophobicContact CB-CB 4.5Å; H151-N154 WeakPolarHBondContact O-CB 3.3Å; H151-N154 PolarHBondContact O-N 3.43Å; H151-I155 VanDerWaalsContact O-CG1 3.29Å; H151-I155 WeakPolarHBondContact O-CG1 3.3Å; H151-I155 PolarHBondContact O-N 3.46Å
152N77Confident81.1Confident72 Ų7237.7 Ų37.739%0.38520%0.204SC..Hα-helixtrans-55.4-37.1-169.8-76.7-12.7000113.8I155N152-I155 PolarHBondContact O-N 3.29Å
153E78.7Confident81Confident110 Ų11038.9 Ų38.951%0.51421%0.213SC..Hα-helixtrans-73.2-32.9-179.4-62.5175.5139.900112.7H151 I155H151-E153 VanDerWaalsContact C-N 3.25Å; H151-E153 IonicContact CE1-OE2 3.49Å; H151-E153 PolarHBondContact CE1-OE2 2.99Å; H151-E153 VanDerWaalsContact CE1-OE2 3.29Å; H151-E153 IonicContact ND1-OE2 2.74Å; H151-E153 PolarHBondContact O-N 3.2Å; H151-E153 VanDerWaalsContact O-N 3.12Å; E153-I155 PolarHBondContact O-N 3.03Å
154N83.3Confident80.9Confident4 Ų441.2 Ų41.22%0.02123%0.225CC..Hα-helixtrans-65.5-29.1176.7-66.5-13.6000111.6L110 Y112 C114 F121 H151 I156 C157 L158L110-N154 PolarHBondContact O-ND2 3.24Å; L110-N154 VanDerWaalsContact O-ND2 3.1Å; Y112-N154 PolarHBondContact O-ND2 3.28Å; C114-N154 PolarHBondContact N-OD1 3.03Å; C114-N154 VanDerWaalsContact N-OD1 3.11Å; F121-N154 HydrophobicContact CE2-CB 4Å; F121-N154 HydrophobicContact CZ-CB 3.8Å; H151-N154 HydrophobicContact CB-CB 4.5Å; H151-N154 WeakPolarHBondContact O-CB 3.3Å; H151-N154 PolarHBondContact O-N 3.43Å; N154-I156 PolarHBondContact O-N 2.75Å; N154-C157 PolarHBondContact O-N 2.91Å; N154-L158 VanDerWaalsContact O-CB 3.23Å; N154-L158 WeakPolarHBondContact O-CB 3.24Å; N154-L158 PolarHBondContact O-N 2.95Å
155I83Confident80.8Confident1 Ų142.1 Ų42.11%0.00523%0.225CC..Hα-helixtrans-63.5-40.2-167.7-49.1-174.5000112.7W150 H151 N152 E153 L159 K182 W186 F194W150-I155 HydrophobicContact CB-CD1 4.35Å; W150-I155 HydrophobicContact CB-CG1 3.98Å; W150-I155 HydrophobicContact CE3-CD1 4.43Å; W150-I155 HydrophobicContact CE3-CG1 4.21Å; W150-I155 HydrophobicContact CE3-CG2 3.94Å; W150-I155 HydrophobicContact CZ3-CG2 4.23Å; H151-I155 VanDerWaalsContact O-CG1 3.29Å; H151-I155 WeakPolarHBondContact O-CG1 3.3Å; H151-I155 PolarHBondContact O-N 3.46Å; N152-I155 PolarHBondContact O-N 3.29Å; E153-I155 PolarHBondContact O-N 3.03Å; I155-L159 HydrophobicContact CG2-CD1 3.81Å; I155-L159 HydrophobicContact CG2-CG 4.06Å; I155-L159 WeakPolarHBondContact O-CB 3.48Å; I155-L159 WeakPolarHBondContact O-CG 3.4Å; I155-L159 PolarHBondContact O-N 3.19Å; I155-K182 HydrophobicContact CD1-CD 3.66Å; I155-W186 HydrophobicContact CB-CZ2 4.46Å; I155-F194 HydrophobicContact CG2-CD2 4.31Å; I155-F194 HydrophobicContact CG2-CE2 3.5Å; I155-F194 VanDerWaalsContact CG2-CE2 3.5Å; I155-F194 HydrophobicContact CG2-CZ 4.21Å
156I81.5Confident80.3Confident38 Ų3846.7 Ų46.720%0.19526%0.257CS..Hα-helixtrans-59.9-57.1179.4-55.8176000109.4N154 L158 L159 D160 W186 V193N154-I156 PolarHBondContact O-N 2.75Å; I156-L158 VanDerWaalsContact C-N 3.31Å; I156-L158 PolarHBondContact O-N 3.02Å; I156-L159 PolarHBondContact O-N 3.37Å; I156-D160 WeakPolarHBondContact O-CB 3.47Å; I156-D160 PolarHBondContact O-N 3.49Å; I156-W186 HydrophobicContact CD1-CH2 3.84Å; I156-W186 HydrophobicContact CG1-CH2 3.59Å; I156-W186 HydrophobicContact CG1-CZ2 4.24Å; I156-V193 HydrophobicContact CD1-CG1 4.11Å; I156-V193 HydrophobicContact CG2-CG1 4.06Å
157C83.5Confident80Confident44 Ų4446.5 Ų46.530%0.29725%0.254SS..Hα-helixtrans-62-41.2-176.6-57.50000111.3P117 F121 N154 I161P117-C157 HydrophobicContact CB-CB 3.93Å; P117-C157 HydrophobicContact CG-CB 4.41Å; F121-C157 HydrophobicContact CD2-CB 3.9Å; F121-C157 HydrophobicContact CE2-CB 4.06Å; N154-C157 PolarHBondContact O-N 2.91Å; C157-I161 VanDerWaalsContact O-CB 3.25Å; C157-I161 WeakPolarHBondContact O-CB 3.37Å; C157-I161 WeakPolarHBondContact O-CD1 3.26Å; C157-I161 WeakPolarHBondContact O-CG1 3.31Å; C157-I161 PolarHBondContact O-N 2.91Å
158L84Confident79.7Confident0 Ų047.5 Ų47.50%025%0.25CC..Hα-helixtrans-63.6-44.4178.1179.5138000111.8L110 F121 L124 L145 W150 N154 I156 L162L110-L158 HydrophobicContact CD1-CD1 3.85Å; L110-L158 HydrophobicContact CD2-CD1 3.61Å; L110-L158 HydrophobicContact CG-CD1 4.42Å; F121-L158 HydrophobicContact CD2-CB 3.84Å; F121-L158 HydrophobicContact CE2-CB 4.07Å; F121-L158 HydrophobicContact CG-CB 4.36Å; L124-L158 HydrophobicContact CD2-CD1 4.13Å; L145-L158 HydrophobicContact CD1-CD1 4.43Å; W150-L158 HydrophobicContact CD2-CD2 4.38Å; W150-L158 HydrophobicContact CE3-CD2 4.08Å; W150-L158 HydrophobicContact CH2-CD2 4.23Å; W150-L158 HydrophobicContact CZ3-CD2 3.99Å; N154-L158 VanDerWaalsContact O-CB 3.23Å; N154-L158 WeakPolarHBondContact O-CB 3.24Å; N154-L158 PolarHBondContact O-N 2.95Å; I156-L158 VanDerWaalsContact C-N 3.31Å; I156-L158 PolarHBondContact O-N 3.02Å; L158-L162 HydrophobicContact CD2-CD1 3.52Å; L158-L162 HydrophobicContact CG-CD1 3.75Å; L158-L162 HydrophobicContact CG-CG 4.48Å; L158-L162 VanDerWaalsContact O-CB 3.23Å; L158-L162 WeakPolarHBondContact O-CB 3.43Å; L158-L162 WeakPolarHBondContact O-CD1 3.37Å; L158-L162 WeakPolarHBondContact O-CG 3.29Å; L158-L162 PolarHBondContact O-N 3.37Å
159L82.8Confident79.3Confident0 Ų050.9 Ų50.90%026%0.264CS..Hα-helixtrans-69.9-46.4177-72.7-178.3000112.4W150 I155 I156 I161 L162 S163 I175 F194 I198 F201W150-L159 HydrophobicContact CZ3-CD2 4.41Å; I155-L159 HydrophobicContact CG2-CD1 3.81Å; I155-L159 HydrophobicContact CG2-CG 4.06Å; I155-L159 WeakPolarHBondContact O-CB 3.48Å; I155-L159 WeakPolarHBondContact O-CG 3.4Å; I155-L159 PolarHBondContact O-N 3.19Å; I156-L159 PolarHBondContact O-N 3.37Å; L159-I161 VanDerWaalsContact C-N 3.29Å; L159-I161 PolarHBondContact O-N 2.95Å; L159-L162 PolarHBondContact O-N 3.33Å; L159-S163 WeakPolarHBondContact O-CB 3.19Å; L159-S163 PolarHBondContact O-N 3.2Å; L159-I175 HydrophobicContact CD2-CG2 3.8Å; L159-F194 HydrophobicContact CD1-CD2 4.11Å; L159-F194 HydrophobicContact CD1-CE2 3.63Å; L159-I198 HydrophobicContact CD1-CG1 3.74Å; L159-F201 HydrophobicContact CB-CE2 4.05Å; L159-F201 HydrophobicContact CB-CZ 4.49Å; L159-F201 HydrophobicContact CD2-CE2 3.82Å; L159-F201 HydrophobicContact CD2-CZ 4.01Å; L159-F201 HydrophobicContact CG-CE2 4.47Å; L159-F201 WeakPolarHBondContact O-CE2 3.26Å; L159-F201 VanDerWaalsContact O-CZ 3.24Å; L159-F201 WeakPolarHBondContact O-CZ 3.46Å
160D79.9Confident79.2Confident52 Ų5251.6 Ų51.628%0.27827%0.265SS..Hα-helixtrans-57.4-44.1177.7-76.7-10000110.7I156 S163 N164 S197I156-D160 WeakPolarHBondContact O-CB 3.47Å; I156-D160 PolarHBondContact O-N 3.49Å; D160-S163 PolarHBondContact O-OG 3Å; D160-N164 PolarHBondContact O-ND2 2.99Å; D160-S197 WeakPolarHBondContact OD1-CA 3.07Å; D160-S197 WeakPolarHBondContact OD1-CB 3.22Å; D160-S197 PolarHBondContact OD1-OG 3.35Å
161I80.4Confident78.9Confident25 Ų2551.6 Ų51.613%0.12827%0.266CS..Hα-helixtrans-72-49.3-179.7-67.5164.6000111.3F121 D122 A125 C157 L159 S163 N164 Y165F121-I161 HydrophobicContact CB-CB 4.48Å; F121-I161 HydrophobicContact CB-CD1 3.9Å; F121-I161 HydrophobicContact CB-CG2 4.44Å; F121-I161 WeakPolarHBondContact O-CG2 3.36Å; D122-I161 HydrophobicContact CB-CG2 4.35Å; A125-I161 HydrophobicContact CB-CG2 4.21Å; C157-I161 VanDerWaalsContact O-CB 3.25Å; C157-I161 WeakPolarHBondContact O-CB 3.37Å; C157-I161 WeakPolarHBondContact O-CD1 3.26Å; C157-I161 WeakPolarHBondContact O-CG1 3.31Å; C157-I161 PolarHBondContact O-N 2.91Å; L159-I161 VanDerWaalsContact C-N 3.29Å; L159-I161 PolarHBondContact O-N 2.95Å; I161-S163 PolarHBondContact O-N 3.41Å; I161-S163 VanDerWaalsContact O-N 3.15Å; I161-N164 WeakPolarHBondContact O-CB 3.46Å; I161-N164 PolarHBondContact O-N 3.36Å; I161-Y165 HydrophobicContact CG2-CD2 4.43Å; I161-Y165 HydrophobicContact CG2-CE2 4.18Å; I161-Y165 WeakPolarHBondContact O-CD2 3.49Å
162L81.8Confident78.5Confident1 Ų149.3 Ų49.31%0.00526%0.255CS..Hα-helixtrans-58.9-27.9177.3-71.6169.5000112.6A125 L128 L145 L158 L159 N164 Y165 L167 I175 F201A125-L162 HydrophobicContact CB-CD2 3.71Å; L128-L162 HydrophobicContact CD1-CD2 3.92Å; L145-L162 HydrophobicContact CD2-CD1 4.38Å; L158-L162 HydrophobicContact CD2-CD1 3.52Å; L158-L162 HydrophobicContact CG-CD1 3.75Å; L158-L162 HydrophobicContact CG-CG 4.48Å; L158-L162 VanDerWaalsContact O-CB 3.23Å; L158-L162 WeakPolarHBondContact O-CB 3.43Å; L158-L162 WeakPolarHBondContact O-CD1 3.37Å; L158-L162 WeakPolarHBondContact O-CG 3.29Å; L158-L162 PolarHBondContact O-N 3.37Å; L159-L162 PolarHBondContact O-N 3.33Å; L162-N164 PolarHBondContact O-N 3.29Å; L162-Y165 PolarHBondContact O-N 2.71Å; L162-L167 HydrophobicContact CD2-CD1 4.18Å; L162-I175 HydrophobicContact CD1-CD1 4.42Å; L162-F201 HydrophobicContact CB-CE1 4.15Å; L162-F201 HydrophobicContact CB-CZ 3.92Å
163S76.1Confident78.4Confident29 Ų2947.6 Ų47.620%0.20325%0.245CC..THydrogen-bonded Turntrans-66.7-18.5176.181.30000114.4L159 D160 I161 L200L159-S163 WeakPolarHBondContact O-CB 3.19Å; L159-S163 PolarHBondContact O-N 3.2Å; D160-S163 PolarHBondContact O-OG 3Å; I161-S163 PolarHBondContact O-N 3.41Å; I161-S163 VanDerWaalsContact O-N 3.15Å; S163-L200 WeakPolarHBondContact OG-CD1 3.25Å
164N78.4Confident78.4Confident129 Ų12945.3 Ų45.369%0.6923%0.233SC*.THydrogen-bonded Turntrans-85.6-7.5175.7-61.2-67000113.3D160 I161 L162D160-N164 PolarHBondContact O-ND2 2.99Å; I161-N164 WeakPolarHBondContact O-CB 3.46Å; I161-N164 PolarHBondContact O-N 3.36Å; L162-N164 PolarHBondContact O-N 3.29Å
165Y77.2Confident78.3Confident46 Ų4645.1 Ų45.118%0.1823%0.232CC..SBendtrans-113.5139.6-171.6-78.3-76.7000113D122 A125 R126 V129 I161 L162 L167 M172D122-Y165 VanDerWaalsContact OD1-CE2 3.29Å; D122-Y165 WeakPolarHBondContact OD1-CE2 3.37Å; D122-Y165 PolarHBondContact OD1-OH 3.15Å; D122-Y165 PolarHBondContact OD2-OH 3.27Å; A125-Y165 HydrophobicContact CB-CD2 3.29Å; A125-Y165 HydrophobicContact CB-CE2 3.71Å; A125-Y165 HydrophobicContact CB-CG 3.81Å; R126-Y165 HydrophobicContact CG-CD1 4.35Å; R126-Y165 HydrophobicContact CG-CE1 3.49Å; R126-Y165 VanDerWaalsContact CG-CE1 3.49Å; R126-Y165 PolarHBondContact NE-OH 3.47Å; R126-Y165 PolarHBondContact NH2-OH 3.21Å; V129-Y165 HydrophobicContact CG2-CD1 4.31Å; I161-Y165 HydrophobicContact CG2-CD2 4.43Å; I161-Y165 HydrophobicContact CG2-CE2 4.18Å; I161-Y165 WeakPolarHBondContact O-CD2 3.49Å; L162-Y165 PolarHBondContact O-N 2.71Å; Y165-L167 VanDerWaalsContact C-N 3.34Å; Y165-L167 PolarHBondContact O-N 2.96Å; Y165-M172 WeakPolarHBondContact O-CE 3.47Å
166S71.2Confident78Confident96 Ų9645.4 Ų45.467%0.67123%0.234SC*.  trans-83.669.2-173.560.80000113.1
167L74.9Confident77.8Confident14 Ų1448.7 Ų48.77%0.07325%0.248CC..  trans-70.8158.2167.5-59.2171000111.8L128 V129 E132 L162 Y165 M172 I175L128-L167 HydrophobicContact CB-CD2 3.95Å; V129-L167 HydrophobicContact CG2-CD2 3.73Å; V129-L167 HydrophobicContact CG2-CG 4.32Å; E132-L167 WeakPolarHBondContact OE2-CA 3.4Å; E132-L167 WeakPolarHBondContact OE2-CB 3.13Å; E132-L167 WeakPolarHBondContact OE2-CD2 3.23Å; L162-L167 HydrophobicContact CD2-CD1 4.18Å; Y165-L167 VanDerWaalsContact C-N 3.34Å; Y165-L167 PolarHBondContact O-N 2.96Å; L167-M172 HydrophobicContact CB-CE 3.68Å; L167-M172 HydrophobicContact CB-CG 3.86Å; L167-M172 HydrophobicContact CD1-CG 4.41Å; L167-M172 HydrophobicContact CG-CE 4.31Å; L167-I175 HydrophobicContact CD1-CD1 3.78Å
168Q74.7Confident77.7Confident105 Ų10548.5 Ų48.549%0.49124%0.242SC..  trans-65.6149172.2-63.4179.930.400111E132 K170 S171 M172E132-Q168 HydrophobicContact CG-CB 4.39Å; E132-Q168 HydrophobicContact CG-CG 3.71Å; E132-Q168 PolarHBondContact O-NE2 2.83Å; E132-Q168 WeakPolarHBondContact OE1-CB 3.38Å; E132-Q168 PolarHBondContact OE2-N 3.04Å; Q168-K170 PolarHBondContact O-N 3.45Å; Q168-S171 WeakPolarHBondContact O-CB 3.34Å; Q168-S171 PolarHBondContact O-N 3.44Å; Q168-M172 PolarHBondContact O-N 2.96Å; Q168-M172 VanDerWaalsContact O-N 3.16Å
169Q73.2Confident77.5Confident95 Ų9548.5 Ų48.544%0.44424%0.243SC..Hα-helixtrans-50.7-52.6-179.4-176.2-177.8-25.400112S171 M172 E173 F203Q169-S171 PolarHBondContact O-N 2.7Å; Q169-M172 PolarHBondContact O-N 3.08Å; Q169-M172 VanDerWaalsContact O-N 3.09Å; Q169-E173 HydrophobicContact CG-CG 4.08Å; Q169-E173 PolarHBondContact NE2-OE1 3.24Å; Q169-E173 WeakPolarHBondContact O-CB 3.37Å; Q169-E173 VanDerWaalsContact O-CG 3.25Å; Q169-E173 WeakPolarHBondContact O-CG 3.41Å; Q169-E173 PolarHBondContact O-N 2.86Å; Q169-F203 HydrophobicContact CG-CD1 4.41Å; Q169-F203 HydrophobicContact CG-CE1 4.17Å
170K75.7Confident77.1Confident155 Ų15548.7 Ų48.767%0.67424%0.243SC*.Hα-helixtrans-54.4-28.8-179.8-69.5-179.1178.9175.80114.3Q168 K174Q168-K170 PolarHBondContact O-N 3.45Å; K170-K174 WeakPolarHBondContact O-CG 3.33Å; K170-K174 PolarHBondContact O-N 3.46Å
171S77Confident77Confident4 Ų449.3 Ų49.33%0.02825%0.252CS..Hα-helixtrans-80.3-46.7178.9-750000111E132 V142 Q168 Q169 E173 K174 I175E132-S171 WeakPolarHBondContact OE1-CB 3.32Å; E132-S171 PolarHBondContact OE1-OG 3Å; V142-S171 WeakPolarHBondContact CG1-O 3.15Å; Q168-S171 WeakPolarHBondContact O-CB 3.34Å; Q168-S171 PolarHBondContact O-N 3.44Å; Q169-S171 PolarHBondContact O-N 2.7Å; S171-E173 VanDerWaalsContact C-N 3.25Å; S171-E173 PolarHBondContact O-N 3.46Å; S171-K174 PolarHBondContact O-N 3.26Å; S171-I175 WeakPolarHBondContact O-CG1 3.36Å; S171-I175 PolarHBondContact O-N 3.46Å; S171-I175 VanDerWaalsContact O-N 3.08Å
172M75.1Confident76.7Confident15 Ų1549.7 Ų49.77%0.07425%0.252CS..Hα-helixtrans-60.1-37171.8-61.7-164.5178.800112Y165 L167 Q168 Q169 K174 I175 L176 F201 F203Y165-M172 WeakPolarHBondContact O-CE 3.47Å; L167-M172 HydrophobicContact CB-CE 3.68Å; L167-M172 HydrophobicContact CB-CG 3.86Å; L167-M172 HydrophobicContact CD1-CG 4.41Å; L167-M172 HydrophobicContact CG-CE 4.31Å; Q168-M172 PolarHBondContact O-N 2.96Å; Q168-M172 VanDerWaalsContact O-N 3.16Å; Q169-M172 PolarHBondContact O-N 3.08Å; Q169-M172 VanDerWaalsContact O-N 3.09Å; M172-K174 PolarHBondContact O-N 3.25Å; M172-I175 PolarHBondContact O-N 3.09Å; M172-L176 WeakPolarHBondContact O-CB 3.37Å; M172-L176 WeakPolarHBondContact O-CG 3.17Å; M172-L176 PolarHBondContact O-N 3.44Å; M172-F201 HydrophobicContact CB-CD1 4.49Å; M172-F201 HydrophobicContact CG-CD1 4.33Å; M172-F201 HydrophobicContact SD-CD1 3.82Å; M172-F201 HydrophobicContact SD-CE1 4.46Å; M172-F203 HydrophobicContact CB-CE2 3.61Å; M172-F203 HydrophobicContact CB-CZ 4.21Å; M172-F203 HydrophobicContact CG-CE2 4.1Å; M172-F203 HydrophobicContact CG-CZ 4.38Å; M172-F203 HydrophobicContact SD-CE2 3.38Å; M172-F203 WeakPolarHBondContact SD-CE2 3.2Å; M172-F203 HydrophobicContact SD-CZ 3.51Å; M172-F203 VanDerWaalsContact SD-CZ 3.51Å
173E75Confident76.4Confident37 Ų3749.8 Ų49.817%0.17325%0.253CS..Hα-helixtrans-55.6-48.4174.7-73.3-171.516400112Q169 S171 L176 E177 Y206Q169-E173 HydrophobicContact CG-CG 4.08Å; Q169-E173 PolarHBondContact NE2-OE1 3.24Å; Q169-E173 WeakPolarHBondContact O-CB 3.37Å; Q169-E173 VanDerWaalsContact O-CG 3.25Å; Q169-E173 WeakPolarHBondContact O-CG 3.41Å; Q169-E173 PolarHBondContact O-N 2.86Å; S171-E173 VanDerWaalsContact C-N 3.25Å; S171-E173 PolarHBondContact O-N 3.46Å; E173-L176 PolarHBondContact O-N 2.75Å; E173-E177 WeakPolarHBondContact O-CG 3.25Å; E173-E177 PolarHBondContact O-N 2.87Å; E173-Y206 HydrophobicContact CB-CE1 4.12Å; E173-Y206 HydrophobicContact CB-CE2 3.95Å; E173-Y206 WeakPolarHBondContact CB-OH 3.39Å; E173-Y206 VanDerWaalsContact CD-CE2 3.43Å; E173-Y206 HydrophobicContact CG-CD2 3.92Å; E173-Y206 HydrophobicContact CG-CE1 4.28Å; E173-Y206 HydrophobicContact CG-CE2 3.29Å; E173-Y206 WeakPolarHBondContact OE1-CE2 3.48Å
174K78.7Confident76.1Confident62 Ų6253 Ų5327%0.2727%0.272SS..Hα-helixtrans-66.8-37.7176.2-67.4173.4-178.3-176.10113.7V142 D143 C146 K170 S171 M172 L176 E177 K178V142-K174 HydrophobicContact CG1-CB 4.3Å; D143-K174 WeakPolarHBondContact OD1-CD 3.34Å; D143-K174 WeakPolarHBondContact OD1-CE 3.45Å; D143-K174 IonicContact OD1-NZ 3.81Å; D143-K174 PolarHBondContact OD1-NZ 3.36Å; D143-K174 IonicContact OD2-NZ 3.67Å; D143-K174 PolarHBondContact OD2-NZ 2.84Å; C146-K174 VanDerWaalsContact SG-C 3.51Å; C146-K174 PolarHBondContact SG-O 2.9Å; K170-K174 WeakPolarHBondContact O-CG 3.33Å; K170-K174 PolarHBondContact O-N 3.46Å; S171-K174 PolarHBondContact O-N 3.26Å; M172-K174 PolarHBondContact O-N 3.25Å; K174-L176 VanDerWaalsContact C-N 3.31Å; K174-E177 PolarHBondContact O-N 3.17Å; K174-K178 PolarHBondContact O-N 3.06Å
175I80.4Confident75.9Confident0 Ų050.6 Ų50.60%027%0.265CS..Hα-helixtrans-62.9-42.5176-70163000109.7V142 L145 W150 L159 L162 L167 S171 M172 K178 S179V142-I175 HydrophobicContact CG1-CD1 3.82Å; V142-I175 HydrophobicContact CG1-CG1 3.67Å; L145-I175 HydrophobicContact CD2-CD1 4.19Å; L145-I175 HydrophobicContact CD2-CG1 4.17Å; W150-I175 HydrophobicContact CH2-CG2 4.14Å; L159-I175 HydrophobicContact CD2-CG2 3.8Å; L162-I175 HydrophobicContact CD1-CD1 4.42Å; L167-I175 HydrophobicContact CD1-CD1 3.78Å; S171-I175 WeakPolarHBondContact O-CG1 3.36Å; S171-I175 PolarHBondContact O-N 3.46Å; S171-I175 VanDerWaalsContact O-N 3.08Å; M172-I175 PolarHBondContact O-N 3.09Å; I175-K178 PolarHBondContact O-N 2.92Å; I175-S179 PolarHBondContact O-N 3.25Å
176L76.8Confident75.7Confident6 Ų649.7 Ų49.73%0.03126%0.261CS..Hα-helixtrans-65.6-45.4176-69.7169.6000111.6M172 E173 K174 K178 S179 L180 I198 F201 F203 Y206M172-L176 WeakPolarHBondContact O-CB 3.37Å; M172-L176 WeakPolarHBondContact O-CG 3.17Å; M172-L176 PolarHBondContact O-N 3.44Å; E173-L176 PolarHBondContact O-N 2.75Å; K174-L176 VanDerWaalsContact C-N 3.31Å; L176-K178 PolarHBondContact O-N 3.18Å; L176-S179 PolarHBondContact O-N 3.38Å; L176-S179 PolarHBondContact O-OG 3.34Å; L176-L180 WeakPolarHBondContact O-CB 3.45Å; L176-L180 VanDerWaalsContact O-CG 3.32Å; L176-L180 WeakPolarHBondContact O-CG 3.22Å; L176-L180 PolarHBondContact O-N 3.2Å; L176-I198 HydrophobicContact CD2-CG2 3.59Å; L176-F201 HydrophobicContact CD1-CB 4.1Å; L176-F201 HydrophobicContact CD2-CB 4.01Å; L176-F201 HydrophobicContact CD2-CD2 3.98Å; L176-F201 HydrophobicContact CD2-CG 4.06Å; L176-F201 HydrophobicContact CG-CB 4.46Å; L176-F203 HydrophobicContact CD1-CD2 4.16Å; L176-Y206 HydrophobicContact CB-CD1 3.73Å; L176-Y206 HydrophobicContact CB-CE1 4.22Å; L176-Y206 HydrophobicContact CD1-CD1 3.84Å; L176-Y206 HydrophobicContact CD1-CG 3.93Å; L176-Y206 HydrophobicContact CG-CD1 4.44Å
177E77Confident76Confident107 Ų10750.7 Ų50.750%0.526%0.255SS..Hα-helixtrans-56.2-45.5174.3-74.2176.6175.700112.5E173 K174 L180 S181 Y206E173-E177 WeakPolarHBondContact O-CG 3.25Å; E173-E177 PolarHBondContact O-N 2.87Å; K174-E177 PolarHBondContact O-N 3.17Å; E177-L180 PolarHBondContact O-N 2.78Å; E177-S181 PolarHBondContact O-N 2.91Å; E177-Y206 HydrophobicContact CG-CE1 4.14Å; E177-Y206 PolarHBondContact OE1-OH 2.87Å
178K81.3Confident75.9Confident40 Ų4053 Ų5317%0.17427%0.267CS..Hα-helixtrans-66.2-35.6176.9-173.167.9170.1-145.80112.7C146 S147 V148 W150 K174 I175 L176 S181C146-K178 HydrophobicContact CB-CB 4.23Å; C146-K178 HydrophobicContact CB-CG 4.44Å; C146-K178 VanDerWaalsContact O-CD 3.25Å; C146-K178 WeakPolarHBondContact O-CD 3.41Å; C146-K178 WeakPolarHBondContact O-CE 3.42Å; C146-K178 PolarHBondContact O-NZ 2.87Å; S147-K178 PolarHBondContact O-NZ 3.37Å; S147-K178 VanDerWaalsContact O-NZ 3.13Å; V148-K178 WeakPolarHBondContact O-CE 3.38Å; V148-K178 PolarHBondContact O-NZ 3.01Å; W150-K178 HydrophobicContact CH2-CB 4.06Å; W150-K178 HydrophobicContact CH2-CG 3.96Å; W150-K178 HydrophobicContact CZ2-CB 4.2Å; W150-K178 HydrophobicContact CZ2-CG 3.79Å; W150-K178 HydrophobicContact CZ3-CG 4.47Å; K174-K178 PolarHBondContact O-N 3.06Å; I175-K178 PolarHBondContact O-N 2.92Å; L176-K178 PolarHBondContact O-N 3.18Å; K178-S181 PolarHBondContact O-OG 2.9Å
179S79.8Confident75.9Confident1 Ų153.9 Ų53.91%0.00728%0.276CS..Hα-helixtrans-67.8-42.2173.276.90000111.9I175 L176 S181 K182 I183 F194I175-S179 PolarHBondContact O-N 3.25Å; L176-S179 PolarHBondContact O-N 3.38Å; L176-S179 PolarHBondContact O-OG 3.34Å; S179-S181 VanDerWaalsContact C-N 3.28Å; S179-S181 PolarHBondContact O-N 2.98Å; S179-K182 PolarHBondContact O-N 2.97Å; S179-K182 VanDerWaalsContact O-N 3.09Å; S179-I183 PolarHBondContact O-N 3.47Å; S179-F194 WeakPolarHBondContact O-CZ 3.41Å
180L74.8Confident76.2Confident3 Ų353.6 Ų53.62%0.01627%0.273CS..Hα-helixtrans-72.9-16.2179.6-70.8173.2000112.9L176 E177 K182 I183 F209 L210 K213L176-L180 WeakPolarHBondContact O-CB 3.45Å; L176-L180 VanDerWaalsContact O-CG 3.32Å; L176-L180 WeakPolarHBondContact O-CG 3.22Å; L176-L180 PolarHBondContact O-N 3.2Å; E177-L180 PolarHBondContact O-N 2.78Å; L180-K182 VanDerWaalsContact C-N 3.35Å; L180-I183 HydrophobicContact CD2-CD1 4.17Å; L180-I183 VanDerWaalsContact O-CG2 3.3Å; L180-I183 WeakPolarHBondContact O-CG2 3.17Å; L180-F209 HydrophobicContact CD1-CD1 3.7Å; L180-F209 HydrophobicContact CD1-CE1 3.91Å; L180-L210 HydrophobicContact CD1-CB 4.47Å; L180-L210 HydrophobicContact CD2-CB 4.38Å; L180-L210 HydrophobicContact CD2-CD1 4.25Å; L180-L210 HydrophobicContact CD2-CG 4.12Å; L180-K213 WeakPolarHBondContact O-CE 3.35Å; L180-K213 PolarHBondContact O-NZ 3.46Å
181S77Confident76.4Confident65 Ų6546.5 Ų46.546%0.45524%0.242SC..Hα-helixtrans-76.5-22.5169.175.90000112.9E177 K178 S179E177-S181 PolarHBondContact O-N 2.91Å; K178-S181 PolarHBondContact O-OG 2.9Å; S179-S181 VanDerWaalsContact C-N 3.28Å; S179-S181 PolarHBondContact O-N 2.98Å
182K75.7Confident76.5Confident33 Ų3346.3 Ų46.314%0.14324%0.241CC..Hα-helixtrans-94.3-7.7177.3-69.2-165.4167.9-150.90115.1W150 I155 S179 L180 T184 S185W150-K182 PolarHBondContact O-NZ 3.45Å; I155-K182 HydrophobicContact CD1-CD 3.66Å; S179-K182 PolarHBondContact O-N 2.97Å; S179-K182 VanDerWaalsContact O-N 3.09Å; L180-K182 VanDerWaalsContact C-N 3.35Å; K182-T184 PolarHBondContact O-N 3.29Å; K182-S185 PolarHBondContact O-N 3.11Å; K182-S185 VanDerWaalsContact O-N 3.09Å; K182-S185 PolarHBondContact O-OG 3.1Å; K182-S185 VanDerWaalsContact O-OG 3.12Å
183I73.9Confident76.9Confident3 Ų348 Ų482%0.01525%0.252CS..G310 helixtrans-63.3-24.8-176.7-154.9174.2000114S179 L180 L191 F194 I195 K213 L214 L217S179-I183 PolarHBondContact O-N 3.47Å; L180-I183 HydrophobicContact CD2-CD1 4.17Å; L180-I183 VanDerWaalsContact O-CG2 3.3Å; L180-I183 WeakPolarHBondContact O-CG2 3.17Å; I183-L191 HydrophobicContact CD1-CD1 4.43Å; I183-L191 HydrophobicContact CG1-CD1 3.73Å; I183-F194 HydrophobicContact CB-CE1 4.13Å; I183-F194 HydrophobicContact CG1-CD1 4.17Å; I183-F194 HydrophobicContact CG1-CE1 4.19Å; I183-I195 HydrophobicContact CD1-CG1 4.14Å; I183-K213 HydrophobicContact CG2-CD 4.19Å; I183-K213 HydrophobicContact CG2-CG 4.45Å; I183-L214 HydrophobicContact CD1-CD2 3.72Å; I183-L217 HydrophobicContact CD1-CD2 4.17Å; I183-L217 HydrophobicContact CG1-CD2 3.81Å; I183-L217 HydrophobicContact CG2-CD2 4.35Å
184T70.9Confident77.2Confident98 Ų9846.2 Ų46.260%0.60124%0.243SC*.G310 helixtrans-84.7-12.6177.445.10000114K182 L217K182-T184 PolarHBondContact O-N 3.29Å; T184-L217 HydrophobicContact CG2-CD1 4.25Å
185S73.6Confident77.2Confident78 Ų7843.3 Ų43.355%0.54523%0.231SC..G310 helixtrans-112.420.3-177.969.40000112.8K182K182-S185 PolarHBondContact O-N 3.11Å; K182-S185 VanDerWaalsContact O-N 3.09Å; K182-S185 PolarHBondContact O-OG 3.1Å; K182-S185 VanDerWaalsContact O-OG 3.12Å
186W73.8Confident77.2Confident27 Ų2746 Ų4610%0.10224%0.243CC..SBendtrans-105.9150.7-171.9-116.266.4000112.5I155 I156 L188 K190 F194I155-W186 HydrophobicContact CB-CZ2 4.46Å; I156-W186 HydrophobicContact CD1-CH2 3.84Å; I156-W186 HydrophobicContact CG1-CH2 3.59Å; I156-W186 HydrophobicContact CG1-CZ2 4.24Å; W186-L188 PolarHBondContact O-N 3.38Å; W186-K190 HydrophobicContact CE3-CB 3.86Å; W186-K190 HydrophobicContact CH2-CB 4.43Å; W186-K190 HydrophobicContact CZ3-CB 3.43Å; W186-K190 VanDerWaalsContact CZ3-CB 3.43Å; W186-K190 WeakPolarHBondContact CZ3-O 3.32Å; W186-F194 HydrophobicContact CB-CD1 4.5Å; W186-F194 HydrophobicContact CD2-CB 4.17Å; W186-F194 AromaticContact CD2-CD1 3.78Å; W186-F194 HydrophobicContact CD2-CD1 3.78Å; W186-F194 HydrophobicContact CD2-CE1 4.32Å; W186-F194 AromaticContact CD2-CG 3.99Å; W186-F194 HydrophobicContact CD2-CG 3.99Å; W186-F194 HydrophobicContact CE3-CB 3.68Å; W186-F194 HydrophobicContact CE3-CD1 4.13Å; W186-F194 HydrophobicContact CE3-CG 4.04Å; W186-F194 AromaticContact CG-CD1 3.96Å; W186-F194 HydrophobicContact CG-CD1 3.96Å; W186-F194 HydrophobicContact CG-CE1 4.19Å; W186-F194 HydrophobicContact CH2-CB 3.83Å; W186-F194 HydrophobicContact CH2-CD2 4.23Å; W186-F194 HydrophobicContact CH2-CG 4.07Å; W186-F194 HydrophobicContact CZ2-CB 4.32Å; W186-F194 HydrophobicContact CZ2-CD2 4.02Å; W186-F194 HydrophobicContact CZ2-CE2 4.47Å; W186-F194 HydrophobicContact CZ2-CG 4.06Å; W186-F194 HydrophobicContact CZ3-CB 3.5Å; W186-F194 VanDerWaalsContact CZ3-CB 3.5Å; W186-F194 HydrophobicContact CZ3-CG 4.08Å
187E76.5Confident77.2Confident116 Ų11645.7 Ų45.754%0.54224%0.242SC..  trans-64.8125.3177-69.5174.5179.500110.9D189 K190 L191E187-D189 VanDerWaalsContact C-N 3.25Å; E187-D189 PolarHBondContact O-N 2.85Å; E187-K190 HydrophobicContact CB-CB 4.46Å; E187-K190 HydrophobicContact CB-CG 4.45Å; E187-K190 PolarHBondContact O-N 3.25Å; E187-K190 IonicContact OE1-NZ 2.71Å; E187-K190 WeakPolarHBondContact OE2-CD 3.18Å; E187-K190 WeakPolarHBondContact OE2-CE 3.19Å; E187-K190 IonicContact OE2-NZ 3.85Å; E187-K190 PolarHBondContact OE2-NZ 3.4Å; E187-L191 PolarHBondContact O-N 2.79Å
188L72.8Confident77.4Confident63 Ų6340.7 Ų40.733%0.3322%0.219SC..THydrogen-bonded Turntrans-56.5-34.5-174.6-75.1174.3000113.7W186 L191 P192 F229 I232W186-L188 PolarHBondContact O-N 3.38Å; L188-L191 HydrophobicContact CD2-CD2 4.26Å; L188-L191 WeakPolarHBondContact O-CB 3.12Å; L188-P192 WeakPolarHBondContact O-CD 3.23Å; L188-F229 HydrophobicContact CD2-CE1 4.27Å; L188-I232 HydrophobicContact CB-CD1 3.77Å; L188-I232 HydrophobicContact CD1-CD1 4.46Å; L188-I232 HydrophobicContact CD2-CD1 4.32Å; L188-I232 HydrophobicContact CG-CD1 4.41Å
189D75.5Confident77.1Confident124 Ų12438.9 Ų38.966%0.66321%0.211SC*.THydrogen-bonded Turntrans-72.5-31.2178.2-63.9-39.8000113E187E187-D189 VanDerWaalsContact C-N 3.25Å; E187-D189 PolarHBondContact O-N 2.85Å
190K78.3Confident77Confident89 Ų8941.9 Ų41.939%0.38723%0.226SC..THydrogen-bonded Turntrans-88.9-21178-59.5-179.6-178150.10111.9W186 E187 P192 V193 F194W186-K190 HydrophobicContact CE3-CB 3.86Å; W186-K190 HydrophobicContact CH2-CB 4.43Å; W186-K190 HydrophobicContact CZ3-CB 3.43Å; W186-K190 VanDerWaalsContact CZ3-CB 3.43Å; W186-K190 WeakPolarHBondContact CZ3-O 3.32Å; E187-K190 HydrophobicContact CB-CB 4.46Å; E187-K190 HydrophobicContact CB-CG 4.45Å; E187-K190 PolarHBondContact O-N 3.25Å; E187-K190 IonicContact OE1-NZ 2.71Å; E187-K190 WeakPolarHBondContact OE2-CD 3.18Å; E187-K190 WeakPolarHBondContact OE2-CE 3.19Å; E187-K190 IonicContact OE2-NZ 3.85Å; E187-K190 PolarHBondContact OE2-NZ 3.4Å; K190-P192 VanDerWaalsContact C-CD 3.43Å; K190-P192 VanDerWaalsContact C-N 3.33Å; K190-V193 WeakPolarHBondContact O-CA 3.36Å; K190-V193 VanDerWaalsContact O-CB 3.28Å; K190-V193 WeakPolarHBondContact O-CB 3.34Å; K190-V193 PolarHBondContact O-N 3.37Å; K190-F194 PolarHBondContact O-N 2.93Å; K190-F194 VanDerWaalsContact O-N 3.16Å
191L81Confident76.8Confident5 Ų542.2 Ų42.23%0.02623%0.228CC..Hα-helixtrans-48.1-40.2-179.4179.165.4000114.6I183 E187 L188 V193 F194 I195 L217I183-L191 HydrophobicContact CD1-CD1 4.43Å; I183-L191 HydrophobicContact CG1-CD1 3.73Å; E187-L191 PolarHBondContact O-N 2.79Å; L188-L191 HydrophobicContact CD2-CD2 4.26Å; L188-L191 WeakPolarHBondContact O-CB 3.12Å; L191-V193 VanDerWaalsContact C-N 3.3Å; L191-V193 PolarHBondContact O-N 2.93Å; L191-F194 HydrophobicContact CD1-CD1 4.42Å; L191-F194 WeakPolarHBondContact O-CB 3.42Å; L191-F194 PolarHBondContact O-N 3.43Å; L191-I195 HydrophobicContact CD1-CD1 3.84Å; L191-I195 HydrophobicContact CD1-CG1 4.03Å; L191-I195 HydrophobicContact CD2-CD1 4.44Å; L191-I195 HydrophobicContact CG-CD1 3.75Å; L191-I195 HydrophobicContact CG-CG1 4.39Å; L191-I195 WeakPolarHBondContact O-CG1 3.39Å; L191-I195 PolarHBondContact O-N 3.24Å; L191-L217 HydrophobicContact CD1-CD2 4.18Å; L191-L217 HydrophobicContact CD2-CD2 3.95Å
192P79.5Confident76.2Confident1 Ų140.5 Ų40.51%0.00622%0.216CC..Hα-helixtrans-62.4-33.5174.2-23.935.5000113.4L188 K190 Q196 I232 Q235 K239L188-P192 WeakPolarHBondContact O-CD 3.23Å; K190-P192 VanDerWaalsContact C-CD 3.43Å; K190-P192 VanDerWaalsContact C-N 3.33Å; P192-Q196 WeakPolarHBondContact O-CB 3.43Å; P192-Q196 PolarHBondContact O-N 3.46Å; P192-Q196 VanDerWaalsContact O-N 3.14Å; P192-I232 HydrophobicContact CG-CG2 4.17Å; P192-Q235 HydrophobicContact CB-CB 4.09Å; P192-Q235 HydrophobicContact CG-CB 3.92Å; P192-K239 HydrophobicContact CB-CD 3.65Å; P192-K239 VanDerWaalsContact O-CD 3.22Å; P192-K239 WeakPolarHBondContact O-CD 3.44Å
193V82.1Confident75.7Confident49 Ų4941.3 Ų41.330%0.29722%0.219SC..Hα-helixtrans-66.8-46.4172.1-1650000110.4I156 K190 L191 I195 Q196 S197I156-V193 HydrophobicContact CD1-CG1 4.11Å; I156-V193 HydrophobicContact CG2-CG1 4.06Å; K190-V193 WeakPolarHBondContact O-CA 3.36Å; K190-V193 VanDerWaalsContact O-CB 3.28Å; K190-V193 WeakPolarHBondContact O-CB 3.34Å; K190-V193 PolarHBondContact O-N 3.37Å; L191-V193 VanDerWaalsContact C-N 3.3Å; L191-V193 PolarHBondContact O-N 2.93Å; V193-I195 PolarHBondContact O-N 3.38Å; V193-Q196 WeakPolarHBondContact O-CB 3.45Å; V193-Q196 PolarHBondContact O-N 2.82Å; V193-Q196 VanDerWaalsContact O-N 3.11Å; V193-S197 PolarHBondContact O-N 3.26Å; V193-S197 PolarHBondContact O-OG 3.13Å
194F81.5Confident75.2Confident0 Ų044.2 Ų44.20%024%0.238CC..Hα-helixtrans-57.8-48.4179.4-168.3-151.2000112.2I155 L159 S179 I183 W186 K190 L191 Q196 S197 I198I155-F194 HydrophobicContact CG2-CD2 4.31Å; I155-F194 HydrophobicContact CG2-CE2 3.5Å; I155-F194 VanDerWaalsContact CG2-CE2 3.5Å; I155-F194 HydrophobicContact CG2-CZ 4.21Å; L159-F194 HydrophobicContact CD1-CD2 4.11Å; L159-F194 HydrophobicContact CD1-CE2 3.63Å; S179-F194 WeakPolarHBondContact O-CZ 3.41Å; I183-F194 HydrophobicContact CB-CE1 4.13Å; I183-F194 HydrophobicContact CG1-CD1 4.17Å; I183-F194 HydrophobicContact CG1-CE1 4.19Å; W186-F194 HydrophobicContact CB-CD1 4.5Å; W186-F194 HydrophobicContact CD2-CB 4.17Å; W186-F194 AromaticContact CD2-CD1 3.78Å; W186-F194 HydrophobicContact CD2-CD1 3.78Å; W186-F194 HydrophobicContact CD2-CE1 4.32Å; W186-F194 AromaticContact CD2-CG 3.99Å; W186-F194 HydrophobicContact CD2-CG 3.99Å; W186-F194 HydrophobicContact CE3-CB 3.68Å; W186-F194 HydrophobicContact CE3-CD1 4.13Å; W186-F194 HydrophobicContact CE3-CG 4.04Å; W186-F194 AromaticContact CG-CD1 3.96Å; W186-F194 HydrophobicContact CG-CD1 3.96Å; W186-F194 HydrophobicContact CG-CE1 4.19Å; W186-F194 HydrophobicContact CH2-CB 3.83Å; W186-F194 HydrophobicContact CH2-CD2 4.23Å; W186-F194 HydrophobicContact CH2-CG 4.07Å; W186-F194 HydrophobicContact CZ2-CB 4.32Å; W186-F194 HydrophobicContact CZ2-CD2 4.02Å; W186-F194 HydrophobicContact CZ2-CE2 4.47Å; W186-F194 HydrophobicContact CZ2-CG 4.06Å; W186-F194 HydrophobicContact CZ3-CB 3.5Å; W186-F194 VanDerWaalsContact CZ3-CB 3.5Å; W186-F194 HydrophobicContact CZ3-CG 4.08Å; K190-F194 PolarHBondContact O-N 2.93Å; K190-F194 VanDerWaalsContact O-N 3.16Å; L191-F194 HydrophobicContact CD1-CD1 4.42Å; L191-F194 WeakPolarHBondContact O-CB 3.42Å; L191-F194 PolarHBondContact O-N 3.43Å; F194-Q196 VanDerWaalsContact C-N 3.28Å; F194-Q196 PolarHBondContact O-N 2.6Å; F194-S197 PolarHBondContact O-N 2.9Å; F194-S197 VanDerWaalsContact O-N 3.15Å; F194-I198 HydrophobicContact CD1-CD1 4.01Å; F194-I198 HydrophobicContact CD2-CD1 3.91Å; F194-I198 HydrophobicContact CD2-CG1 4.13Å; F194-I198 HydrophobicContact CE1-CD1 3.91Å; F194-I198 HydrophobicContact CE2-CD1 3.78Å; F194-I198 HydrophobicContact CE2-CG1 4.04Å; F194-I198 HydrophobicContact CG-CD1 4.01Å; F194-I198 HydrophobicContact CZ-CD1 3.8Å; F194-I198 HydrophobicContact CZ-CG1 4.49Å; F194-I198 VanDerWaalsContact O-CG1 3.29Å; F194-I198 WeakPolarHBondContact O-CG1 3.35Å; F194-I198 PolarHBondContact O-N 2.91Å
195I78.5Confident74.9Confident2 Ų248.6 Ų48.61%0.0124%0.244CC..Hα-helixtrans-63.8-37.7179.2-61.7162.2000110.2I183 L191 V193 S197 I198 L199 L214 L236I183-I195 HydrophobicContact CD1-CG1 4.14Å; L191-I195 HydrophobicContact CD1-CD1 3.84Å; L191-I195 HydrophobicContact CD1-CG1 4.03Å; L191-I195 HydrophobicContact CD2-CD1 4.44Å; L191-I195 HydrophobicContact CG-CD1 3.75Å; L191-I195 HydrophobicContact CG-CG1 4.39Å; L191-I195 WeakPolarHBondContact O-CG1 3.39Å; L191-I195 PolarHBondContact O-N 3.24Å; V193-I195 PolarHBondContact O-N 3.38Å; I195-S197 PolarHBondContact O-N 2.72Å; I195-I198 PolarHBondContact O-N 3.34Å; I195-L199 HydrophobicContact CG2-CD1 3.71Å; I195-L199 HydrophobicContact CG2-CG 3.95Å; I195-L199 VanDerWaalsContact O-CB 3.27Å; I195-L199 WeakPolarHBondContact O-CB 3.4Å; I195-L199 WeakPolarHBondContact O-CG 3.39Å; I195-L199 PolarHBondContact O-N 3.12Å; I195-L214 HydrophobicContact CD1-CD1 4.32Å; I195-L214 HydrophobicContact CD1-CD2 3.47Å; I195-L214 VanDerWaalsContact CD1-CD2 3.47Å; I195-L214 HydrophobicContact CG1-CD2 4.01Å; I195-L214 HydrophobicContact CG2-CD1 3.97Å; I195-L236 HydrophobicContact CB-CD1 3.9Å; I195-L236 HydrophobicContact CD1-CD1 3.84Å; I195-L236 HydrophobicContact CD1-CD2 4.13Å; I195-L236 HydrophobicContact CG1-CD1 4.49Å; I195-L236 HydrophobicContact CG2-CD1 3.55Å
196Q80.2Confident74.6Confident55 Ų5546.6 Ų46.626%0.25723%0.225SC..Hα-helixtrans-57.5-46.7173.4-176.1-173.4-27.500111.8P192 V193 F194 L199 L200 K239 L243P192-Q196 WeakPolarHBondContact O-CB 3.43Å; P192-Q196 PolarHBondContact O-N 3.46Å; P192-Q196 VanDerWaalsContact O-N 3.14Å; V193-Q196 WeakPolarHBondContact O-CB 3.45Å; V193-Q196 PolarHBondContact O-N 2.82Å; V193-Q196 VanDerWaalsContact O-N 3.11Å; F194-Q196 VanDerWaalsContact C-N 3.28Å; F194-Q196 PolarHBondContact O-N 2.6Å; Q196-L199 PolarHBondContact O-N 3.23Å; Q196-L200 PolarHBondContact O-N 2.81Å; Q196-K239 HydrophobicContact CB-CB 4.42Å; Q196-K239 HydrophobicContact CB-CD 4.41Å; Q196-L243 HydrophobicContact CG-CD1 4.01Å; Q196-L243 HydrophobicContact CG-CD2 4.12Å; Q196-L243 HydrophobicContact CG-CG 4.14Å
197S78.5Confident74.5Confident0 Ų045.5 Ų45.50%022%0.221CC..Hα-helixtrans-64.1-41.7177.6-560000112.9D160 V193 F194 I195 L200D160-S197 WeakPolarHBondContact OD1-CA 3.07Å; D160-S197 WeakPolarHBondContact OD1-CB 3.22Å; D160-S197 PolarHBondContact OD1-OG 3.35Å; V193-S197 PolarHBondContact O-N 3.26Å; V193-S197 PolarHBondContact O-OG 3.13Å; F194-S197 PolarHBondContact O-N 2.9Å; F194-S197 VanDerWaalsContact O-N 3.15Å; I195-S197 PolarHBondContact O-N 2.72Å; S197-L200 PolarHBondContact O-N 3.41Å
198I79.3Confident74.1Confident3 Ų343 Ų432%0.01521%0.209CC..Hα-helixtrans-66.5-38.4176.5-58.8164.9000110.9L159 L176 F194 I195 L200 F201 L210L159-I198 HydrophobicContact CD1-CG1 3.74Å; L176-I198 HydrophobicContact CD2-CG2 3.59Å; F194-I198 HydrophobicContact CD1-CD1 4.01Å; F194-I198 HydrophobicContact CD2-CD1 3.91Å; F194-I198 HydrophobicContact CD2-CG1 4.13Å; F194-I198 HydrophobicContact CE1-CD1 3.91Å; F194-I198 HydrophobicContact CE2-CD1 3.78Å; F194-I198 HydrophobicContact CE2-CG1 4.04Å; F194-I198 HydrophobicContact CG-CD1 4.01Å; F194-I198 HydrophobicContact CZ-CD1 3.8Å; F194-I198 HydrophobicContact CZ-CG1 4.49Å; F194-I198 VanDerWaalsContact O-CG1 3.29Å; F194-I198 WeakPolarHBondContact O-CG1 3.35Å; F194-I198 PolarHBondContact O-N 2.91Å; I195-I198 PolarHBondContact O-N 3.34Å; I198-L200 VanDerWaalsContact C-N 3.28Å; I198-L200 PolarHBondContact O-N 3.33Å; I198-F201 PolarHBondContact O-N 3.45Å; I198-L210 HydrophobicContact CB-CD1 4.24Å; I198-L210 HydrophobicContact CG2-CD1 3.39Å
199L76.9Confident74Confident1 Ų144.2 Ų44.21%0.00521%0.212CC..Hα-helixtrans-66.6-24.4-179.7-75.1173.2000113.3I195 Q196 F201 S202 M207 L210 I240 L243 F250I195-L199 HydrophobicContact CG2-CD1 3.71Å; I195-L199 HydrophobicContact CG2-CG 3.95Å; I195-L199 VanDerWaalsContact O-CB 3.27Å; I195-L199 WeakPolarHBondContact O-CB 3.4Å; I195-L199 WeakPolarHBondContact O-CG 3.39Å; I195-L199 PolarHBondContact O-N 3.12Å; Q196-L199 PolarHBondContact O-N 3.23Å; L199-F201 PolarHBondContact O-N 3.25Å; L199-S202 PolarHBondContact O-N 3.47Å; L199-S202 VanDerWaalsContact O-N 3.12Å; L199-S202 PolarHBondContact O-OG 3.04Å; L199-M207 HydrophobicContact CD2-CE 3.82Å; L199-M207 HydrophobicContact CD2-SD 3.43Å; L199-M207 WeakPolarHBondContact CD2-SD 3.17Å; L199-L210 HydrophobicContact CD2-CD1 4.21Å; L199-L210 HydrophobicContact CD2-CD2 3.86Å; L199-I240 HydrophobicContact CD1-CG1 3.91Å; L199-L243 HydrophobicContact CB-CD1 3.65Å; L199-L243 HydrophobicContact CD1-CD1 3.95Å; L199-L243 HydrophobicContact CG-CD1 4.48Å; L199-F250 HydrophobicContact CB-CE2 4.03Å; L199-F250 HydrophobicContact CB-CZ 3.85Å; L199-F250 HydrophobicContact CD1-CZ 4.18Å; L199-F250 HydrophobicContact CD2-CE2 4.27Å; L199-F250 HydrophobicContact CD2-CZ 4.05Å; L199-F250 HydrophobicContact CG-CZ 4.25Å; L199-F250 VanDerWaalsContact O-CE2 3.31Å; L199-F250 WeakPolarHBondContact O-CE2 3.08Å
200L75.8Confident73.8Confident64 Ų6438.6 Ų38.634%0.33518%0.182SC..Hα-helixtrans-56.9-35.9178.5-72.6169.2000112.5S163 Q196 S197 I198 S202 L243S163-L200 WeakPolarHBondContact OG-CD1 3.25Å; Q196-L200 PolarHBondContact O-N 2.81Å; S197-L200 PolarHBondContact O-N 3.41Å; I198-L200 VanDerWaalsContact C-N 3.28Å; I198-L200 PolarHBondContact O-N 3.33Å; L200-S202 WeakPolarHBondContact O-CB 3.24Å; L200-S202 PolarHBondContact O-N 2.88Å; L200-S202 VanDerWaalsContact O-N 3.13Å; L200-S202 PolarHBondContact O-OG 3.4Å; L200-L243 HydrophobicContact CD2-CD2 3.6Å; L200-L243 HydrophobicContact CG-CD2 4.34Å
201F70.9Confident73.6Confident11 Ų1134.4 Ų34.45%0.04816%0.164CC..THydrogen-bonded Turntrans-64.9-14.4179.7-64.9-91.4000114.5L159 L162 M172 L176 I198 L199 F203L159-F201 HydrophobicContact CB-CE2 4.05Å; L159-F201 HydrophobicContact CB-CZ 4.49Å; L159-F201 HydrophobicContact CD2-CE2 3.82Å; L159-F201 HydrophobicContact CD2-CZ 4.01Å; L159-F201 HydrophobicContact CG-CE2 4.47Å; L159-F201 WeakPolarHBondContact O-CE2 3.26Å; L159-F201 VanDerWaalsContact O-CZ 3.24Å; L159-F201 WeakPolarHBondContact O-CZ 3.46Å; L162-F201 HydrophobicContact CB-CE1 4.15Å; L162-F201 HydrophobicContact CB-CZ 3.92Å; M172-F201 HydrophobicContact CB-CD1 4.49Å; M172-F201 HydrophobicContact CG-CD1 4.33Å; M172-F201 HydrophobicContact SD-CD1 3.82Å; M172-F201 HydrophobicContact SD-CE1 4.46Å; L176-F201 HydrophobicContact CD1-CB 4.1Å; L176-F201 HydrophobicContact CD2-CB 4.01Å; L176-F201 HydrophobicContact CD2-CD2 3.98Å; L176-F201 HydrophobicContact CD2-CG 4.06Å; L176-F201 HydrophobicContact CG-CB 4.46Å; I198-F201 PolarHBondContact O-N 3.45Å; L199-F201 PolarHBondContact O-N 3.25Å; F201-F203 VanDerWaalsContact C-N 3.33Å; F201-F203 HydrophobicContact CB-CD2 4.46Å; F201-F203 HydrophobicContact CB-CE2 4.48Å; F201-F203 WeakPolarHBondContact O-CD2 3.04Å; F201-F203 WeakPolarHBondContact O-CE2 3.45Å; F201-F203 PolarHBondContact O-N 2.97Å
202S64.8Low73.1Confident29 Ų2936.2 Ų36.220%0.20317%0.173CC..  trans5617.8157.1-600000119.8L199 L200 T253L199-S202 PolarHBondContact O-N 3.47Å; L199-S202 VanDerWaalsContact O-N 3.12Å; L199-S202 PolarHBondContact O-OG 3.04Å; L200-S202 WeakPolarHBondContact O-CB 3.24Å; L200-S202 PolarHBondContact O-N 2.88Å; L200-S202 VanDerWaalsContact O-N 3.13Å; L200-S202 PolarHBondContact O-OG 3.4Å; S202-T253 WeakPolarHBondContact O-CG2 3.4Å
203F66Low72.6Confident50 Ų5038.7 Ų38.722%0.21918%0.183CC..  trans-81.6129.6179-65.6-74.9000114Q169 M172 L176 F201 R205 Y206 M207Q169-F203 HydrophobicContact CG-CD1 4.41Å; Q169-F203 HydrophobicContact CG-CE1 4.17Å; M172-F203 HydrophobicContact CB-CE2 3.61Å; M172-F203 HydrophobicContact CB-CZ 4.21Å; M172-F203 HydrophobicContact CG-CE2 4.1Å; M172-F203 HydrophobicContact CG-CZ 4.38Å; M172-F203 HydrophobicContact SD-CE2 3.38Å; M172-F203 WeakPolarHBondContact SD-CE2 3.2Å; M172-F203 HydrophobicContact SD-CZ 3.51Å; M172-F203 VanDerWaalsContact SD-CZ 3.51Å; L176-F203 HydrophobicContact CD1-CD2 4.16Å; F201-F203 VanDerWaalsContact C-N 3.33Å; F201-F203 HydrophobicContact CB-CD2 4.46Å; F201-F203 HydrophobicContact CB-CE2 4.48Å; F201-F203 WeakPolarHBondContact O-CD2 3.04Å; F201-F203 WeakPolarHBondContact O-CE2 3.45Å; F201-F203 PolarHBondContact O-N 2.97Å; F203-R205 PolarHBondContact O-N 3.13Å; F203-Y206 PolarHBondContact O-N 3.22Å; F203-Y206 VanDerWaalsContact O-N 3.13Å; F203-M207 WeakPolarHBondContact O-CG 3.31Å; F203-M207 PolarHBondContact O-N 2.72Å
204P63.2Low72.1Confident63 Ų6336.3 Ų36.341%0.40917%0.169SC..Hα-helixtrans-53.3-45.9-179.6-25.630.5000114.7Y206 M207 E208 T253 T257P204-Y206 VanDerWaalsContact C-N 3.3Å; P204-Y206 PolarHBondContact O-N 3.25Å; P204-M207 PolarHBondContact O-N 2.88Å; P204-E208 PolarHBondContact O-N 2.95Å; P204-T253 HydrophobicContact CG-CG2 4.08Å; P204-T257 HydrophobicContact CB-CG2 4.16Å; P204-T257 WeakPolarHBondContact O-CG2 3.16Å
205R64.2Low71.6Confident191 Ų19138.2 Ų38.272%0.72118%0.179SC*.Hα-helixtrans-65.9-32.3-178.1-75.4-177.3170.4179.1-3.8113.6F203F203-R205 PolarHBondContact O-N 3.13Å
206Y68Low71.1Confident36 Ų3641.6 Ų41.614%0.14120%0.203CC..Hα-helixtrans-85-29.7-177.5-83.2-104.1000112E173 L176 E177 F203 P204 E208 F209 L210E173-Y206 HydrophobicContact CB-CE1 4.12Å; E173-Y206 HydrophobicContact CB-CE2 3.95Å; E173-Y206 WeakPolarHBondContact CB-OH 3.39Å; E173-Y206 VanDerWaalsContact CD-CE2 3.43Å; E173-Y206 HydrophobicContact CG-CD2 3.92Å; E173-Y206 HydrophobicContact CG-CE1 4.28Å; E173-Y206 HydrophobicContact CG-CE2 3.29Å; E173-Y206 WeakPolarHBondContact OE1-CE2 3.48Å; L176-Y206 HydrophobicContact CB-CD1 3.73Å; L176-Y206 HydrophobicContact CB-CE1 4.22Å; L176-Y206 HydrophobicContact CD1-CD1 3.84Å; L176-Y206 HydrophobicContact CD1-CG 3.93Å; L176-Y206 HydrophobicContact CG-CD1 4.44Å; E177-Y206 HydrophobicContact CG-CE1 4.14Å; E177-Y206 PolarHBondContact OE1-OH 2.87Å; F203-Y206 PolarHBondContact O-N 3.22Å; F203-Y206 VanDerWaalsContact O-N 3.13Å; P204-Y206 VanDerWaalsContact C-N 3.3Å; P204-Y206 PolarHBondContact O-N 3.25Å; Y206-E208 VanDerWaalsContact C-N 3.3Å; Y206-E208 PolarHBondContact O-N 3.43Å; Y206-F209 PolarHBondContact O-N 3.13Å; Y206-L210 WeakPolarHBondContact O-CB 3.38Å; Y206-L210 PolarHBondContact O-N 3.34Å
207M71.2Confident70.5Confident4 Ų440.7 Ų40.72%0.0220%0.2CC..Hα-helixtrans-60.7-37.7171.2-68.3-76.6-75.500112.1L199 F203 P204 F211 F250 T253 I254 T257L199-M207 HydrophobicContact CD2-CE 3.82Å; L199-M207 HydrophobicContact CD2-SD 3.43Å; L199-M207 WeakPolarHBondContact CD2-SD 3.17Å; F203-M207 WeakPolarHBondContact O-CG 3.31Å; F203-M207 PolarHBondContact O-N 2.72Å; P204-M207 PolarHBondContact O-N 2.88Å; M207-F211 HydrophobicContact CB-CE2 4.31Å; M207-F211 HydrophobicContact CE-CE2 3.89Å; M207-F211 HydrophobicContact CE-CZ 3.71Å; M207-F211 WeakPolarHBondContact O-CB 3.26Å; M207-F211 WeakPolarHBondContact O-CD2 3.43Å; M207-F211 VanDerWaalsContact O-CG 3.23Å; M207-F211 WeakPolarHBondContact O-CG 3.44Å; M207-F211 PolarHBondContact O-N 2.95Å; M207-F250 HydrophobicContact CE-CD2 4.28Å; M207-F250 HydrophobicContact CE-CE2 3.46Å; M207-F250 VanDerWaalsContact CE-CE2 3.46Å; M207-F250 HydrophobicContact CE-CZ 3.88Å; M207-F250 HydrophobicContact SD-CE2 4.02Å; M207-T253 HydrophobicContact CG-CG2 4.31Å; M207-I254 HydrophobicContact CE-CD1 4.34Å; M207-I254 HydrophobicContact CE-CG1 3.4Å; M207-I254 VanDerWaalsContact CE-CG1 3.4Å; M207-T257 HydrophobicContact CB-CG2 3.57Å; M207-T257 HydrophobicContact CG-CG2 4.4Å
208E68.2Low69.8Low62 Ų6240.9 Ų40.929%0.2920%0.201SC..Hα-helixtrans-62.7-51.4174.6-178.8162.5-147.700111.9P204 Y206 L210 F211 L212 L261P204-E208 PolarHBondContact O-N 2.95Å; Y206-E208 VanDerWaalsContact C-N 3.3Å; Y206-E208 PolarHBondContact O-N 3.43Å; E208-L210 PolarHBondContact O-N 3.25Å; E208-F211 PolarHBondContact O-N 3.46Å; E208-L212 HydrophobicContact CG-CD1 4.37Å; E208-L212 WeakPolarHBondContact O-CG 3.25Å; E208-L212 PolarHBondContact O-N 3.15Å; E208-L261 HydrophobicContact CG-CD2 3.95Å
209F69.9Low69.1Low89 Ų8943.2 Ų43.239%0.3921%0.21SC..Hα-helixtrans-64.7-38.4176.8-178.1-112000113.3L180 Y206 L212 K213L180-F209 HydrophobicContact CD1-CD1 3.7Å; L180-F209 HydrophobicContact CD1-CE1 3.91Å; Y206-F209 PolarHBondContact O-N 3.13Å; F209-L212 WeakPolarHBondContact O-CB 3.34Å; F209-L212 PolarHBondContact O-N 3.48Å; F209-K213 PolarHBondContact O-N 3.01Å
210L72Confident68.3Low7 Ų745.6 Ų45.64%0.03724%0.235CC..Hα-helixtrans-63.1-46.7174.8179.6153.8000111L180 I198 L199 Y206 E208 K213 L214L180-L210 HydrophobicContact CD1-CB 4.47Å; L180-L210 HydrophobicContact CD2-CB 4.38Å; L180-L210 HydrophobicContact CD2-CD1 4.25Å; L180-L210 HydrophobicContact CD2-CG 4.12Å; I198-L210 HydrophobicContact CB-CD1 4.24Å; I198-L210 HydrophobicContact CG2-CD1 3.39Å; L199-L210 HydrophobicContact CD2-CD1 4.21Å; L199-L210 HydrophobicContact CD2-CD2 3.86Å; Y206-L210 WeakPolarHBondContact O-CB 3.38Å; Y206-L210 PolarHBondContact O-N 3.34Å; E208-L210 PolarHBondContact O-N 3.25Å; L210-K213 PolarHBondContact O-N 3.01Å; L210-L214 HydrophobicContact CD2-CD1 3.55Å; L210-L214 HydrophobicContact CD2-CG 4.09Å; L210-L214 WeakPolarHBondContact O-CG 3.12Å; L210-L214 PolarHBondContact O-N 3.4Å
211F74Confident67.1Low1 Ų144.6 Ų44.60%0.00423%0.233CC..Hα-helixtrans-66.6-38.6177.6-70.4-40.5000112.4M207 E208 K213 L214 I215 I254 F270 Y271M207-F211 HydrophobicContact CB-CE2 4.31Å; M207-F211 HydrophobicContact CE-CE2 3.89Å; M207-F211 HydrophobicContact CE-CZ 3.71Å; M207-F211 WeakPolarHBondContact O-CB 3.26Å; M207-F211 WeakPolarHBondContact O-CD2 3.43Å; M207-F211 VanDerWaalsContact O-CG 3.23Å; M207-F211 WeakPolarHBondContact O-CG 3.44Å; M207-F211 PolarHBondContact O-N 2.95Å; E208-F211 PolarHBondContact O-N 3.46Å; F211-K213 VanDerWaalsContact C-N 3.32Å; F211-K213 PolarHBondContact O-N 3.3Å; F211-L214 HydrophobicContact CD1-CD1 4.32Å; F211-L214 PolarHBondContact O-N 3.22Å; F211-I215 WeakPolarHBondContact O-CG1 3.01Å; F211-I215 PolarHBondContact O-N 2.97Å; F211-I254 HydrophobicContact CE2-CG2 3.96Å; F211-I254 HydrophobicContact CZ-CG1 4.24Å; F211-I254 HydrophobicContact CZ-CG2 4.01Å; F211-F270 HydrophobicContact CB-CE1 3.96Å; F211-F270 AromaticContact CD1-CE1 3.58Å; F211-F270 HydrophobicContact CD1-CE1 3.58Å; F211-F270 AromaticContact CD1-CZ 3.67Å; F211-F270 HydrophobicContact CD1-CZ 3.67Å; F211-F270 HydrophobicContact CE1-CE1 4.35Å; F211-F270 HydrophobicContact CE1-CZ 4.14Å; F211-F270 AromaticContact CG-CE1 3.97Å; F211-F270 HydrophobicContact CG-CE1 3.97Å; F211-Y271 HydrophobicContact CB-CE1 3.77Å; F211-Y271 VanDerWaalsContact CB-OH 3.28Å; F211-Y271 WeakPolarHBondContact CB-OH 3.36Å; F211-Y271 HydrophobicContact CD2-CE1 4.19Å; F211-Y271 HydrophobicContact CG-CE1 4.1Å
212L70.9Confident66.1Low43 Ų4351.8 Ų51.823%0.22527%0.272CS..Hα-helixtrans-53.8-47.8169.4-82.3161.2000111.7E208 F209 I215 L265 D1357E208-L212 HydrophobicContact CG-CD1 4.37Å; E208-L212 WeakPolarHBondContact O-CG 3.25Å; E208-L212 PolarHBondContact O-N 3.15Å; F209-L212 WeakPolarHBondContact O-CB 3.34Å; F209-L212 PolarHBondContact O-N 3.48Å; L212-I215 PolarHBondContact O-N 3.38Å; L212-L265 HydrophobicContact CD2-CD2 3.55Å; L212-L265 HydrophobicContact CG-CD2 4.33Å; L212-D1357 HydrophobicContact CD1-CB 4.36Å
213K69.6Low65.6Low52 Ų5255.8 Ų55.823%0.22630%0.3CS..Hα-helixtrans-73.5-26.6179.8-158.6167.1-167.7175.30113.6L180 I183 F209 L210 F211 S216 L217L180-K213 WeakPolarHBondContact O-CE 3.35Å; L180-K213 PolarHBondContact O-NZ 3.46Å; I183-K213 HydrophobicContact CG2-CD 4.19Å; I183-K213 HydrophobicContact CG2-CG 4.45Å; F209-K213 PolarHBondContact O-N 3.01Å; L210-K213 PolarHBondContact O-N 3.01Å; F211-K213 VanDerWaalsContact C-N 3.32Å; F211-K213 PolarHBondContact O-N 3.3Å; K213-S216 PolarHBondContact O-OG 3.28Å; K213-S216 VanDerWaalsContact O-OG 3.1Å; K213-L217 WeakPolarHBondContact O-CB 3.28Å; K213-L217 PolarHBondContact O-N 3.13Å
214L70.7Confident65.1Low0 Ų056.4 Ų56.40%031%0.31CS..Hα-helixtrans-72-31.8171.2-73.3-176.1000112.8I183 I195 L210 F211 L217 V218 F270I183-L214 HydrophobicContact CD1-CD2 3.72Å; I195-L214 HydrophobicContact CD1-CD1 4.32Å; I195-L214 HydrophobicContact CD1-CD2 3.47Å; I195-L214 VanDerWaalsContact CD1-CD2 3.47Å; I195-L214 HydrophobicContact CG1-CD2 4.01Å; I195-L214 HydrophobicContact CG2-CD1 3.97Å; L210-L214 HydrophobicContact CD2-CD1 3.55Å; L210-L214 HydrophobicContact CD2-CG 4.09Å; L210-L214 WeakPolarHBondContact O-CG 3.12Å; L210-L214 PolarHBondContact O-N 3.4Å; F211-L214 HydrophobicContact CD1-CD1 4.32Å; F211-L214 PolarHBondContact O-N 3.22Å; L214-L217 HydrophobicContact CD2-CD2 4.36Å; L214-L217 PolarHBondContact O-N 3.1Å; L214-V218 HydrophobicContact CD2-CG2 4.45Å; L214-V218 WeakPolarHBondContact O-CB 3.46Å; L214-V218 VanDerWaalsContact O-CG2 3.32Å; L214-V218 WeakPolarHBondContact O-CG2 3.4Å; L214-V218 PolarHBondContact O-N 3.27Å; L214-F270 HydrophobicContact CB-CZ 4.48Å; L214-F270 HydrophobicContact CD1-CZ 4.46Å
215I70.6Confident65Low39 Ų3957.1 Ų57.120%0.232%0.315CS..Hα-helixtrans-63.6-47.5176.3-69.4164.5000110.6F211 L212 L217 Y219 G220 F270 Y271F211-I215 WeakPolarHBondContact O-CG1 3.01Å; F211-I215 PolarHBondContact O-N 2.97Å; L212-I215 PolarHBondContact O-N 3.38Å; I215-L217 PolarHBondContact O-N 3.5Å; I215-Y219 WeakPolarHBondContact O-CA 3.47Å; I215-Y219 WeakPolarHBondContact O-CB 3.48Å; I215-Y219 PolarHBondContact O-N 3.45Å; I215-G220 PolarHBondContact O-N 2.93Å; I215-F270 HydrophobicContact CD1-CD1 3.99Å; I215-F270 HydrophobicContact CG1-CB 3.95Å; I215-F270 HydrophobicContact CG1-CD1 3.59Å; I215-F270 HydrophobicContact CG1-CE1 4.39Å; I215-F270 HydrophobicContact CG1-CG 3.96Å; I215-Y271 HydrophobicContact CD1-CD2 4.13Å; I215-Y271 HydrophobicContact CD1-CE2 3.31Å
216S68.5Low65Low74 Ų7452.2 Ų52.252%0.51731%0.307SS..Hα-helixtrans-65.4-37.6177.355.40000112.5K213 G220K213-S216 PolarHBondContact O-OG 3.28Å; K213-S216 VanDerWaalsContact O-OG 3.1Å; S216-G220 VanDerWaalsContact O-CA 3.28Å; S216-G220 WeakPolarHBondContact O-CA 3.4Å; S216-G220 PolarHBondContact O-N 3.33Å; S216-G220 VanDerWaalsContact O-N 3.16Å
217L66.5Low64.9Low35 Ų3558.1 Ų58.118%0.18334%0.336CS..Hα-helixtrans-72.9-37.5179-173.467.4000114.3I183 T184 L191 K213 L214 I215 S221I183-L217 HydrophobicContact CD1-CD2 4.17Å; I183-L217 HydrophobicContact CG1-CD2 3.81Å; I183-L217 HydrophobicContact CG2-CD2 4.35Å; T184-L217 HydrophobicContact CG2-CD1 4.25Å; L191-L217 HydrophobicContact CD1-CD2 4.18Å; L191-L217 HydrophobicContact CD2-CD2 3.95Å; K213-L217 WeakPolarHBondContact O-CB 3.28Å; K213-L217 PolarHBondContact O-N 3.13Å; L214-L217 HydrophobicContact CD2-CD2 4.36Å; L214-L217 PolarHBondContact O-N 3.1Å; I215-L217 PolarHBondContact O-N 3.5Å; L217-S221 PolarHBondContact O-OG 3.03Å
218V65.4Low64.7Low5 Ų560 Ų603%0.0335%0.35CS..Hα-helixtrans-104.2-20.2-169.2-177.60000112.8L214 R233L214-V218 HydrophobicContact CD2-CG2 4.45Å; L214-V218 WeakPolarHBondContact O-CB 3.46Å; L214-V218 VanDerWaalsContact O-CG2 3.32Å; L214-V218 WeakPolarHBondContact O-CG2 3.4Å; L214-V218 PolarHBondContact O-N 3.27Å; V218-R233 HydrophobicContact CG1-CG 3.44Å; V218-R233 VanDerWaalsContact CG1-CG 3.44Å; V218-R233 PolarHBondContact O-NE 3.01Å; V218-R233 PolarHBondContact O-NH2 3.19Å
219Y65Low64.9Low52 Ų5258 Ų5820%0.20434%0.34CS..Hα-helixtrans-124.6-10.6180-64.4-101.8000113.8I215 R233 E269 F270I215-Y219 WeakPolarHBondContact O-CA 3.47Å; I215-Y219 WeakPolarHBondContact O-CB 3.48Å; I215-Y219 PolarHBondContact O-N 3.45Å; Y219-R233 VanDerWaalsContact CD1-NH2 3.34Å; Y219-R233 VanDerWaalsContact CE1-CZ 3.43Å; Y219-E269 HydrophobicContact CD1-CB 4.4Å; Y219-E269 HydrophobicContact CE1-CB 4.04Å; Y219-E269 HydrophobicContact CE1-CG 3.82Å; Y219-F270 HydrophobicContact CD2-CB 4.16Å; Y219-F270 HydrophobicContact CD2-CD2 4.48Å; Y219-F270 HydrophobicContact CE2-CB 3.73Å; Y219-F270 AromaticContact CE2-CD2 3.61Å; Y219-F270 HydrophobicContact CE2-CD2 3.61Å; Y219-F270 HydrophobicContact CE2-CG 4.04Å
220G58.4Low65Low51 Ų5156.2 Ų56.253%0.52633%0.333SS..SBendtrans-94.4-12.7-178.400000116.3I215 S216I215-G220 PolarHBondContact O-N 2.93Å; S216-G220 VanDerWaalsContact O-CA 3.28Å; S216-G220 WeakPolarHBondContact O-CA 3.4Å; S216-G220 PolarHBondContact O-N 3.33Å; S216-G220 VanDerWaalsContact O-N 3.16Å
221S50.8Low65.2Low43 Ų4357.6 Ų57.630%0.30135%0.345SS..  trans-101.593.9-168.856.70000113.9L217 S223 F229L217-S221 PolarHBondContact O-OG 3.03Å; S221-S223 PolarHBondContact O-N 3.35Å; S221-F229 WeakPolarHBondContact OG-CZ 3.29Å
222N51.1Low65.3Low161 Ų16157.9 Ų57.986%0.86135%0.347SS*.THydrogen-bonded Turntrans-69.515178.9-67.5-16.1000115.5
223S53.9Low65.7Low114 Ų11457.6 Ų57.680%0.79734%0.343SS*.THydrogen-bonded Turntrans-105.31.5-163.7-53.30000115.7S221S221-S223 PolarHBondContact O-N 3.35Å
224C55.5Low66.2Low62 Ų6255.1 Ų55.142%0.41933%0.332SS..SBendtrans-134156.3177.5-106.50000110.9F229C224-F229 HydrophobicContact CB-CD2 3.98Å; C224-F229 HydrophobicContact CB-CE2 3.4Å; C224-F229 HydrophobicContact CB-CZ 4.06Å
225P60.8Low66.8Low79 Ų7958.2 Ų58.251%0.51335%0.347SS..  trans-63.7145-176.927-34.3000111.3E227 S228P225-E227 VanDerWaalsContact C-N 3.32Å; P225-E227 PolarHBondContact O-N 2.87Å; P225-S228 PolarHBondContact O-N 2.86Å; P225-S228 PolarHBondContact O-OG 3.33Å; P225-S228 VanDerWaalsContact O-OG 3.06Å
226P64.8Low67.3Low87 Ų8756.6 Ų56.657%0.56534%0.338SS*.Hα-helixtrans-61.3-39.2-172.823.1-33.3000112.7S228 F229 E230P226-S228 VanDerWaalsContact C-N 3.29Å; P226-S228 PolarHBondContact O-N 3.08Å; P226-F229 PolarHBondContact O-N 3.39Å; P226-F229 VanDerWaalsContact O-N 3.11Å; P226-E230 WeakPolarHBondContact O-CG 3.5Å; P226-E230 PolarHBondContact O-N 3.23Å
227E65.5Low68Low160 Ų16053.3 Ų53.375%0.74832%0.315SS*.Hα-helixtrans-55.9-37.8-177.9-60.4179.7178.400113.6P225 A231P225-E227 VanDerWaalsContact C-N 3.32Å; P225-E227 PolarHBondContact O-N 2.87Å; E227-A231 PolarHBondContact O-N 2.91Å
228S67.4Low68.9Low44 Ų4454.6 Ų54.631%0.30832%0.32SS..Hα-helixtrans-73.3-42.1178.263.90000111.3P225 P226 E230 A231 I232P225-S228 PolarHBondContact O-N 2.86Å; P225-S228 PolarHBondContact O-OG 3.33Å; P225-S228 VanDerWaalsContact O-OG 3.06Å; P226-S228 VanDerWaalsContact C-N 3.29Å; P226-S228 PolarHBondContact O-N 3.08Å; S228-E230 VanDerWaalsContact C-N 3.34Å; S228-E230 PolarHBondContact O-N 3.44Å; S228-A231 PolarHBondContact O-N 2.67Å; S228-I232 VanDerWaalsContact O-CD1 3.3Å; S228-I232 WeakPolarHBondContact O-CD1 3.36Å; S228-I232 VanDerWaalsContact O-CG1 3.23Å; S228-I232 WeakPolarHBondContact O-CG1 3.27Å; S228-I232 PolarHBondContact O-N 3.39Å
229F72.5Confident69.6Low21 Ų2156.3 Ų56.39%0.09233%0.328CS..Hα-helixtrans-63.5-36.9173.6-83.2-58.6000112.6L188 S221 C224 P226 I232 R233L188-F229 HydrophobicContact CD2-CE1 4.27Å; S221-F229 WeakPolarHBondContact OG-CZ 3.29Å; C224-F229 HydrophobicContact CB-CD2 3.98Å; C224-F229 HydrophobicContact CB-CE2 3.4Å; C224-F229 HydrophobicContact CB-CZ 4.06Å; P226-F229 PolarHBondContact O-N 3.39Å; P226-F229 VanDerWaalsContact O-N 3.11Å; F229-I232 HydrophobicContact CD1-CD1 4.49Å; F229-I232 PolarHBondContact O-N 2.94Å; F229-R233 VanDerWaalsContact O-CB 3.29Å; F229-R233 WeakPolarHBondContact O-CB 3.44Å; F229-R233 WeakPolarHBondContact O-CD 3.41Å; F229-R233 WeakPolarHBondContact O-CG 3.3Å; F229-R233 PolarHBondContact O-N 3.19Å
230E71.6Confident70.4Confident50 Ų5053.9 Ų53.923%0.23432%0.318CS..Hα-helixtrans-62.7-41.8174.7-75.3175-129.600112.2P226 S228 G234 H332P226-E230 WeakPolarHBondContact O-CG 3.5Å; P226-E230 PolarHBondContact O-N 3.23Å; S228-E230 VanDerWaalsContact C-N 3.34Å; S228-E230 PolarHBondContact O-N 3.44Å; E230-G234 PolarHBondContact O-N 3.48Å; E230-H332 IonicContact OE1-CD2 2.63Å; E230-H332 IonicContact OE2-CD2 2.69Å
231A76Confident71.5Confident36 Ų3652.5 Ų52.530%0.29830%0.298SS..Hα-helixtrans-64.9-42.4173.800000112.1E227 S228 G234 Q235 Q337E227-A231 PolarHBondContact O-N 2.91Å; S228-A231 PolarHBondContact O-N 2.67Å; A231-G234 PolarHBondContact O-N 3.21Å; A231-Q235 WeakPolarHBondContact O-CG 3.34Å; A231-Q235 PolarHBondContact O-N 3.08Å; A231-Q337 PolarHBondContact O-OE1 3.12Å
232I76.8Confident73Confident8 Ų853 Ų534%0.04130%0.302CS..Hα-helixtrans-66-43.1177.9-64.8156.7000110.9L188 P192 S228 F229 G234 Q235 L236L188-I232 HydrophobicContact CB-CD1 3.77Å; L188-I232 HydrophobicContact CD1-CD1 4.46Å; L188-I232 HydrophobicContact CD2-CD1 4.32Å; L188-I232 HydrophobicContact CG-CD1 4.41Å; P192-I232 HydrophobicContact CG-CG2 4.17Å; S228-I232 VanDerWaalsContact O-CD1 3.3Å; S228-I232 WeakPolarHBondContact O-CD1 3.36Å; S228-I232 VanDerWaalsContact O-CG1 3.23Å; S228-I232 WeakPolarHBondContact O-CG1 3.27Å; S228-I232 PolarHBondContact O-N 3.39Å; F229-I232 HydrophobicContact CD1-CD1 4.49Å; F229-I232 PolarHBondContact O-N 2.94Å; I232-G234 PolarHBondContact O-N 3.3Å; I232-Q235 PolarHBondContact O-N 2.87Å; I232-L236 WeakPolarHBondContact O-CB 3.48Å; I232-L236 PolarHBondContact O-N 3.21Å
233R78.4Confident74.3Confident37 Ų3746.1 Ų46.114%0.1427%0.265CS..Hα-helixtrans-57.7-46.2173.4-75.6167.5-176-168.34.1111.2V218 Y219 F229 L236 M237 E269 W338V218-R233 HydrophobicContact CG1-CG 3.44Å; V218-R233 VanDerWaalsContact CG1-CG 3.44Å; V218-R233 PolarHBondContact O-NE 3.01Å; V218-R233 PolarHBondContact O-NH2 3.19Å; Y219-R233 VanDerWaalsContact CD1-NH2 3.34Å; Y219-R233 VanDerWaalsContact CE1-CZ 3.43Å; F229-R233 VanDerWaalsContact O-CB 3.29Å; F229-R233 WeakPolarHBondContact O-CB 3.44Å; F229-R233 WeakPolarHBondContact O-CD 3.41Å; F229-R233 WeakPolarHBondContact O-CG 3.3Å; F229-R233 PolarHBondContact O-N 3.19Å; R233-L236 PolarHBondContact O-N 2.99Å; R233-M237 VanDerWaalsContact O-CB 3.32Å; R233-M237 WeakPolarHBondContact O-CB 3.45Å; R233-M237 PolarHBondContact O-N 3.33Å; R233-E269 IonicContact NH1-OE1 2.6Å; R233-W338 HydrophobicContact CB-CH2 3.89Å; R233-W338 HydrophobicContact CB-CZ2 3.78Å
234G80.8Confident75.6Confident0 Ų040.8 Ų40.80%023%0.227CC..Hα-helixtrans-60.9-48.7175.900000112.6E230 A231 I232 L236 M237 M238E230-G234 PolarHBondContact O-N 3.48Å; A231-G234 PolarHBondContact O-N 3.21Å; I232-G234 PolarHBondContact O-N 3.3Å; G234-L236 PolarHBondContact O-N 2.94Å; G234-M237 PolarHBondContact O-N 3.33Å; G234-M238 WeakPolarHBondContact O-CG 3.32Å; G234-M238 PolarHBondContact O-N 2.94Å
235Q82.1Confident76.8Confident65 Ų6545.2 Ų45.230%0.30424%0.239SC..Hα-helixtrans-61.2-44.3177.3-73.3-17360.800113.1P192 A231 I232 M237 M238 K239P192-Q235 HydrophobicContact CB-CB 4.09Å; P192-Q235 HydrophobicContact CG-CB 3.92Å; A231-Q235 WeakPolarHBondContact O-CG 3.34Å; A231-Q235 PolarHBondContact O-N 3.08Å; I232-Q235 PolarHBondContact O-N 2.87Å; Q235-M237 VanDerWaalsContact C-N 3.31Å; Q235-M237 PolarHBondContact O-N 3.27Å; Q235-M238 PolarHBondContact O-N 3.06Å; Q235-K239 WeakPolarHBondContact O-CG 3.18Å; Q235-K239 PolarHBondContact O-N 3.21Å; Q235-K239 VanDerWaalsContact O-N 3.17Å
236L81.8Confident77.8Confident4 Ų445.8 Ų45.82%0.02125%0.25CS..Hα-helixtrans-57.8-45.9174.1170.658.6000110.7I195 I232 R233 G234 K239 I240I195-L236 HydrophobicContact CB-CD1 3.9Å; I195-L236 HydrophobicContact CD1-CD1 3.84Å; I195-L236 HydrophobicContact CD1-CD2 4.13Å; I195-L236 HydrophobicContact CG1-CD1 4.49Å; I195-L236 HydrophobicContact CG2-CD1 3.55Å; I232-L236 WeakPolarHBondContact O-CB 3.48Å; I232-L236 PolarHBondContact O-N 3.21Å; R233-L236 PolarHBondContact O-N 2.99Å; G234-L236 PolarHBondContact O-N 2.94Å; L236-K239 PolarHBondContact O-N 3.33Å; L236-K239 VanDerWaalsContact O-N 3.17Å; L236-I240 HydrophobicContact CD1-CD1 4.03Å; L236-I240 HydrophobicContact CD1-CG1 4.27Å; L236-I240 HydrophobicContact CG-CD1 4.05Å; L236-I240 WeakPolarHBondContact O-CG1 3.47Å; L236-I240 PolarHBondContact O-N 3.46Å
237M84.1Confident78.4Confident6 Ų645 Ų453%0.0324%0.241CC..Hα-helixtrans-70.7-35.6-176.5-160.86155.200113.1R233 G234 Q235 K239 I240 F241 F270 T273 V274 T277R233-M237 VanDerWaalsContact O-CB 3.32Å; R233-M237 WeakPolarHBondContact O-CB 3.45Å; R233-M237 PolarHBondContact O-N 3.33Å; G234-M237 PolarHBondContact O-N 3.33Å; Q235-M237 VanDerWaalsContact C-N 3.31Å; Q235-M237 PolarHBondContact O-N 3.27Å; M237-K239 VanDerWaalsContact C-N 3.27Å; M237-K239 PolarHBondContact O-N 3.29Å; M237-I240 HydrophobicContact CE-CD1 4.16Å; M237-I240 PolarHBondContact O-N 3.01Å; M237-I240 HydrophobicContact SD-CB 4.43Å; M237-I240 HydrophobicContact SD-CD1 4.09Å; M237-F241 PolarHBondContact O-N 3.12Å; M237-F270 HydrophobicContact CE-CE2 4.41Å; M237-T273 HydrophobicContact CE-CG2 3.62Å; M237-T273 HydrophobicContact CG-CG2 4.27Å; M237-T273 HydrophobicContact SD-CG2 4.29Å; M237-V274 HydrophobicContact CE-CG2 3.79Å; M237-V274 HydrophobicContact SD-CG2 4.29Å; M237-T277 HydrophobicContact CG-CG2 3.25Å; M237-T277 HydrophobicContact SD-CG2 3.73Å; M237-T277 PolarHBondContact SD-OG1 3.07Å
238M83.8Confident79Confident61 Ų6143.4 Ų43.430%0.323%0.234SC..Hα-helixtrans-58.1-39.7168.8-73.6-68.8-7700112.1G234 Q235 F241 S242 Q337 F340G234-M238 WeakPolarHBondContact O-CG 3.32Å; G234-M238 PolarHBondContact O-N 2.94Å; Q235-M238 PolarHBondContact O-N 3.06Å; M238-F241 PolarHBondContact O-N 3.37Å; M238-S242 PolarHBondContact O-N 2.7Å; M238-Q337 HydrophobicContact CG-CB 4.02Å; M238-Q337 WeakPolarHBondContact CG-O 3.38Å; M238-Q337 VanDerWaalsContact SD-O 3.33Å; M238-F340 HydrophobicContact CE-CD2 4.4Å; M238-F340 HydrophobicContact CE-CE2 3.73Å; M238-F340 HydrophobicContact SD-CD2 3.6Å; M238-F340 HydrophobicContact SD-CE2 3.55Å; M238-F340 VanDerWaalsContact SD-CE2 3.55Å
239K81.4Confident79.6Confident42 Ų4247.4 Ų47.418%0.18325%0.248CC..Hα-helixtrans-73.9-38.6179.8-73.2166.5167.8-93.30112.7P192 Q196 Q235 L236 M237 F241 S242 L243P192-K239 HydrophobicContact CB-CD 3.65Å; P192-K239 VanDerWaalsContact O-CD 3.22Å; P192-K239 WeakPolarHBondContact O-CD 3.44Å; Q196-K239 HydrophobicContact CB-CB 4.42Å; Q196-K239 HydrophobicContact CB-CD 4.41Å; Q235-K239 WeakPolarHBondContact O-CG 3.18Å; Q235-K239 PolarHBondContact O-N 3.21Å; Q235-K239 VanDerWaalsContact O-N 3.17Å; L236-K239 PolarHBondContact O-N 3.33Å; L236-K239 VanDerWaalsContact O-N 3.17Å; M237-K239 VanDerWaalsContact C-N 3.27Å; M237-K239 PolarHBondContact O-N 3.29Å; K239-F241 VanDerWaalsContact C-N 3.29Å; K239-F241 PolarHBondContact O-N 3.45Å; K239-S242 WeakPolarHBondContact CA-OG 3.4Å; K239-S242 PolarHBondContact O-N 2.93Å; K239-S242 PolarHBondContact O-OG 3.35Å; K239-L243 WeakPolarHBondContact O-CG 3.49Å; K239-L243 PolarHBondContact O-N 2.96Å
240I80.7Confident79.8Confident0 Ų046.6 Ų46.60%024%0.244CC..Hα-helixtrans-57.1-46.2168.9-68.1167.4000109.5L199 L236 M237 L243 V244 I254L199-I240 HydrophobicContact CD1-CG1 3.91Å; L236-I240 HydrophobicContact CD1-CD1 4.03Å; L236-I240 HydrophobicContact CD1-CG1 4.27Å; L236-I240 HydrophobicContact CG-CD1 4.05Å; L236-I240 WeakPolarHBondContact O-CG1 3.47Å; L236-I240 PolarHBondContact O-N 3.46Å; M237-I240 HydrophobicContact CE-CD1 4.16Å; M237-I240 PolarHBondContact O-N 3.01Å; M237-I240 HydrophobicContact SD-CB 4.43Å; M237-I240 HydrophobicContact SD-CD1 4.09Å; I240-L243 PolarHBondContact O-N 3.4Å; I240-V244 HydrophobicContact CG2-CG2 4.49Å; I240-V244 WeakPolarHBondContact O-CB 3.48Å; I240-V244 VanDerWaalsContact O-CG2 3.24Å; I240-V244 WeakPolarHBondContact O-CG2 3.37Å; I240-V244 PolarHBondContact O-N 3.32Å; I240-I254 HydrophobicContact CG2-CD1 4.08Å
241F81.8Confident80.1Confident22 Ų2244.2 Ų44.210%0.09623%0.233CC..Hα-helixtrans-65-40177-170.2-98.6000113.3M237 M238 K239 L243 V244 K245 T277 P280 F340M237-F241 PolarHBondContact O-N 3.12Å; M238-F241 PolarHBondContact O-N 3.37Å; K239-F241 VanDerWaalsContact C-N 3.29Å; K239-F241 PolarHBondContact O-N 3.45Å; F241-L243 PolarHBondContact O-N 3.5Å; F241-V244 PolarHBondContact O-N 3.35Å; F241-K245 HydrophobicContact CE1-CD 4.26Å; F241-K245 VanDerWaalsContact O-CB 3.32Å; F241-K245 WeakPolarHBondContact O-CB 3.45Å; F241-K245 PolarHBondContact O-N 3.31Å; F241-T277 WeakPolarHBondContact CD2-O 3.5Å; F241-T277 WeakPolarHBondContact CE2-O 3.34Å; F241-P280 HydrophobicContact CE2-CB 4.24Å; F241-P280 HydrophobicContact CZ-CB 4.48Å; F241-F340 HydrophobicContact CB-CD2 3.91Å; F241-F340 HydrophobicContact CB-CG 4.46Å; F241-F340 HydrophobicContact CD1-CB 4.29Å; F241-F340 AromaticContact CD1-CD1 3.85Å; F241-F340 HydrophobicContact CD1-CD1 3.85Å; F241-F340 AromaticContact CD1-CD2 3.24Å; F241-F340 HydrophobicContact CD1-CD2 3.24Å; F241-F340 AromaticContact CD1-CE1 3.97Å; F241-F340 HydrophobicContact CD1-CE1 3.97Å; F241-F340 AromaticContact CD1-CE2 3.36Å; F241-F340 HydrophobicContact CD1-CE2 3.36Å; F241-F340 AromaticContact CD1-CG 3.5Å; F241-F340 HydrophobicContact CD1-CG 3.5Å; F241-F340 AromaticContact CD1-CZ 3.74Å; F241-F340 HydrophobicContact CD1-CZ 3.74Å; F241-F340 HydrophobicContact CD2-CB 4Å; F241-F340 HydrophobicContact CD2-CD2 4.35Å; F241-F340 HydrophobicContact CD2-CG 4.09Å; F241-F340 HydrophobicContact CE1-CB 4.44Å; F241-F340 AromaticContact CE1-CD1 3.44Å; F241-F340 HydrophobicContact CE1-CD1 3.44Å; F241-F340 VanDerWaalsContact CE1-CD1 3.44Å; F241-F340 AromaticContact CE1-CD2 3.77Å; F241-F340 HydrophobicContact CE1-CD2 3.77Å; F241-F340 AromaticContact CE1-CE1 3.5Å; F241-F340 HydrophobicContact CE1-CE1 3.5Å; F241-F340 VanDerWaalsContact CE1-CE1 3.5Å; F241-F340 AromaticContact CE1-CE2 3.8Å; F241-F340 HydrophobicContact CE1-CE2 3.8Å; F241-F340 AromaticContact CE1-CG 3.6Å; F241-F340 HydrophobicContact CE1-CG 3.6Å; F241-F340 AromaticContact CE1-CZ 3.68Å; F241-F340 HydrophobicContact CE1-CZ 3.68Å; F241-F340 HydrophobicContact CE2-CB 4.16Å; F241-F340 HydrophobicContact CE2-CD1 4.36Å; F241-F340 HydrophobicContact CE2-CG 4.18Å; F241-F340 HydrophobicContact CG-CB 4.05Å; F241-F340 HydrophobicContact CG-CD1 4.44Å; F241-F340 AromaticContact CG-CD2 3.56Å; F241-F340 HydrophobicContact CG-CD2 3.56Å; F241-F340 HydrophobicContact CG-CE2 4.13Å; F241-F340 AromaticContact CG-CG 3.75Å; F241-F340 HydrophobicContact CG-CG 3.75Å; F241-F340 HydrophobicContact CZ-CB 4.38Å; F241-F340 AromaticContact CZ-CD1 3.73Å; F241-F340 HydrophobicContact CZ-CD1 3.73Å; F241-F340 HydrophobicContact CZ-CE1 4.15Å; F241-F340 AromaticContact CZ-CG 3.94Å; F241-F340 HydrophobicContact CZ-CG 3.94Å
242S81.7Confident80.2Confident55 Ų5547.2 Ų47.239%0.38524%0.239SC..Hα-helixtrans-65.1-39.5177.4650000112.2M238 K239 K245 A246M238-S242 PolarHBondContact O-N 2.7Å; K239-S242 WeakPolarHBondContact CA-OG 3.4Å; K239-S242 PolarHBondContact O-N 2.93Å; K239-S242 PolarHBondContact O-OG 3.35Å; S242-K245 PolarHBondContact O-N 3.3Å; S242-A246 WeakPolarHBondContact O-CB 3.29Å; S242-A246 PolarHBondContact O-N 3.04Å
243L79.3Confident80.1Confident16 Ų1647 Ų478%0.08424%0.239CC..Hα-helixtrans-62.7-45172.8-71.8174.6000111.6Q196 L199 L200 K239 I240 F241 K245 A246 N247 F250Q196-L243 HydrophobicContact CG-CD1 4.01Å; Q196-L243 HydrophobicContact CG-CD2 4.12Å; Q196-L243 HydrophobicContact CG-CG 4.14Å; L199-L243 HydrophobicContact CB-CD1 3.65Å; L199-L243 HydrophobicContact CD1-CD1 3.95Å; L199-L243 HydrophobicContact CG-CD1 4.48Å; L200-L243 HydrophobicContact CD2-CD2 3.6Å; L200-L243 HydrophobicContact CG-CD2 4.34Å; K239-L243 WeakPolarHBondContact O-CG 3.49Å; K239-L243 PolarHBondContact O-N 2.96Å; I240-L243 PolarHBondContact O-N 3.4Å; F241-L243 PolarHBondContact O-N 3.5Å; L243-K245 VanDerWaalsContact C-N 3.28Å; L243-K245 PolarHBondContact O-N 3.15Å; L243-A246 PolarHBondContact O-N 3.45Å; L243-N247 PolarHBondContact O-N 3.39Å; L243-F250 HydrophobicContact CB-CD1 3.73Å; L243-F250 HydrophobicContact CB-CE1 3.46Å; L243-F250 VanDerWaalsContact CB-CE1 3.46Å; L243-F250 HydrophobicContact CB-CZ 4.27Å; L243-F250 HydrophobicContact CD1-CE1 4.01Å; L243-F250 HydrophobicContact CD1-CZ 4.01Å; L243-F250 HydrophobicContact CG-CE1 4.4Å
244V80.8Confident80.1Confident1 Ų145.3 Ų45.31%0.00623%0.232CC..Hα-helixtrans-63.6-32.7176.8168.30000112.6I240 F241 N247 F250 I254 L278 N281I240-V244 HydrophobicContact CG2-CG2 4.49Å; I240-V244 WeakPolarHBondContact O-CB 3.48Å; I240-V244 VanDerWaalsContact O-CG2 3.24Å; I240-V244 WeakPolarHBondContact O-CG2 3.37Å; I240-V244 PolarHBondContact O-N 3.32Å; F241-V244 PolarHBondContact O-N 3.35Å; V244-N247 CarbonylContact O-C 3.4Å; V244-F250 HydrophobicContact CG2-CD1 3.68Å; V244-F250 HydrophobicContact CG2-CE1 3.89Å; V244-I254 HydrophobicContact CG2-CD1 3.69Å; V244-L278 HydrophobicContact CB-CD2 4.44Å; V244-L278 HydrophobicContact CG1-CD2 3.94Å; V244-L278 HydrophobicContact CG2-CD2 3.7Å; V244-N281 HydrophobicContact CG1-CB 4.27Å; V244-N281 WeakPolarHBondContact CG1-ND2 3.31Å
245K81.3Confident80Confident156 Ų15646 Ų4668%0.67824%0.235SC*.Hα-helixtrans-76.8-35.4176.7-174177.3177.8-177.70112.5F241 S242 L243F241-K245 HydrophobicContact CE1-CD 4.26Å; F241-K245 VanDerWaalsContact O-CB 3.32Å; F241-K245 WeakPolarHBondContact O-CB 3.45Å; F241-K245 PolarHBondContact O-N 3.31Å; S242-K245 PolarHBondContact O-N 3.3Å; L243-K245 VanDerWaalsContact C-N 3.28Å; L243-K245 PolarHBondContact O-N 3.15Å
246A81.7Confident79.7Confident90 Ų9048.3 Ų48.374%0.74425%0.246SC*.Hα-helixtrans-73.4-42.4174.300000111.9S242 L243S242-A246 WeakPolarHBondContact O-CB 3.29Å; S242-A246 PolarHBondContact O-N 3.04Å; L243-A246 PolarHBondContact O-N 3.45Å
247N77.4Confident79.3Confident71 Ų7148.3 Ų48.338%0.3825%0.246SC..  trans-123.9101.3-177.4-175.5-8.7000111.2L243 V244 H249 F250 G251L243-N247 PolarHBondContact O-N 3.39Å; V244-N247 CarbonylContact O-C 3.4Å; N247-H249 PolarHBondContact O-N 2.97Å; N247-H249 WeakPolarHBondContact OD1-CA 3.45Å; N247-H249 VanDerWaalsContact OD1-CB 3.26Å; N247-H249 WeakPolarHBondContact OD1-CB 3.33Å; N247-H249 PolarHBondContact OD1-N 2.89Å; N247-F250 HydrophobicContact CB-CB 3.98Å; N247-F250 WeakPolarHBondContact O-CB 3.32Å; N247-F250 PolarHBondContact O-N 3.11Å; N247-F250 PolarHBondContact OD1-N 3.38Å; N247-G251 PolarHBondContact O-N 3.39Å
248Q78.5Confident78.9Confident126 Ų12648 Ų4859%0.58925%0.245SC*.Hα-helixtrans-66.3-19177.2-63.1-174.421.100113.8
249H78.6Confident78.6Confident129 Ų12951.5 Ų51.560%0.59726%0.258SS*.Hα-helixtrans-73.7-43.3173.9-171.766.3000110.6N247 G251 K252 T253N247-H249 PolarHBondContact O-N 2.97Å; N247-H249 WeakPolarHBondContact OD1-CA 3.45Å; N247-H249 VanDerWaalsContact OD1-CB 3.26Å; N247-H249 WeakPolarHBondContact OD1-CB 3.33Å; N247-H249 PolarHBondContact OD1-N 2.89Å; H249-G251 VanDerWaalsContact C-N 3.27Å; H249-G251 PolarHBondContact O-N 2.98Å; H249-K252 CarbonylContact O-C 3.53Å; H249-K252 WeakPolarHBondContact O-CA 3.29Å; H249-K252 WeakPolarHBondContact O-CB 3.38Å; H249-K252 PolarHBondContact O-N 3.31Å; H249-T253 PolarHBondContact O-N 2.87Å; H249-T253 PolarHBondContact O-OG1 2.86Å
250F78.3Confident78Confident3 Ų354.1 Ų54.11%0.01328%0.281CS..Hα-helixtrans-55.3-38.9174.8176.8-106.2000112.8L199 M207 L243 V244 N247 K252 T253 I254L199-F250 HydrophobicContact CB-CE2 4.03Å; L199-F250 HydrophobicContact CB-CZ 3.85Å; L199-F250 HydrophobicContact CD1-CZ 4.18Å; L199-F250 HydrophobicContact CD2-CE2 4.27Å; L199-F250 HydrophobicContact CD2-CZ 4.05Å; L199-F250 HydrophobicContact CG-CZ 4.25Å; L199-F250 VanDerWaalsContact O-CE2 3.31Å; L199-F250 WeakPolarHBondContact O-CE2 3.08Å; M207-F250 HydrophobicContact CE-CD2 4.28Å; M207-F250 HydrophobicContact CE-CE2 3.46Å; M207-F250 VanDerWaalsContact CE-CE2 3.46Å; M207-F250 HydrophobicContact CE-CZ 3.88Å; M207-F250 HydrophobicContact SD-CE2 4.02Å; L243-F250 HydrophobicContact CB-CD1 3.73Å; L243-F250 HydrophobicContact CB-CE1 3.46Å; L243-F250 VanDerWaalsContact CB-CE1 3.46Å; L243-F250 HydrophobicContact CB-CZ 4.27Å; L243-F250 HydrophobicContact CD1-CE1 4.01Å; L243-F250 HydrophobicContact CD1-CZ 4.01Å; L243-F250 HydrophobicContact CG-CE1 4.4Å; V244-F250 HydrophobicContact CG2-CD1 3.68Å; V244-F250 HydrophobicContact CG2-CE1 3.89Å; N247-F250 HydrophobicContact CB-CB 3.98Å; N247-F250 WeakPolarHBondContact O-CB 3.32Å; N247-F250 PolarHBondContact O-N 3.11Å; N247-F250 PolarHBondContact OD1-N 3.38Å; F250-K252 VanDerWaalsContact C-N 3.33Å; F250-K252 PolarHBondContact O-N 2.96Å; F250-T253 WeakPolarHBondContact O-CB 3.48Å; F250-T253 PolarHBondContact O-N 3.36Å; F250-I254 HydrophobicContact CD1-CD1 3.88Å; F250-I254 HydrophobicContact CE1-CD1 3.43Å; F250-I254 VanDerWaalsContact CE1-CD1 3.43Å; F250-I254 HydrophobicContact CE1-CG1 4.29Å; F250-I254 HydrophobicContact CE2-CD1 4.41Å; F250-I254 HydrophobicContact CE2-CG1 4.44Å; F250-I254 HydrophobicContact CZ-CD1 3.72Å; F250-I254 HydrophobicContact CZ-CG1 4.19Å; F250-I254 WeakPolarHBondContact O-CG1 3.43Å; F250-I254 PolarHBondContact O-N 2.76Å
251G76.6Confident77.4Confident0 Ų054.8 Ų54.80%028%0.284CS..Hα-helixtrans-61.4-36.1171.700000114.2N247 H249 F255 T284N247-G251 PolarHBondContact O-N 3.39Å; H249-G251 VanDerWaalsContact C-N 3.27Å; H249-G251 PolarHBondContact O-N 2.98Å; G251-F255 PolarHBondContact O-N 3.35Å; G251-T284 WeakPolarHBondContact O-CG2 3.32Å
252K77.5Confident76.6Confident99 Ų9955.1 Ų55.143%0.4329%0.289SS..Hα-helixtrans-71.5-40.1172.1-65.4177.2-178.91760111.3H249 F250 I254 F255 E256H249-K252 CarbonylContact O-C 3.53Å; H249-K252 WeakPolarHBondContact O-CA 3.29Å; H249-K252 WeakPolarHBondContact O-CB 3.38Å; H249-K252 PolarHBondContact O-N 3.31Å; F250-K252 VanDerWaalsContact C-N 3.33Å; F250-K252 PolarHBondContact O-N 2.96Å; K252-I254 PolarHBondContact O-N 3.36Å; K252-F255 PolarHBondContact O-N 3.24Å; K252-F255 VanDerWaalsContact O-N 3.14Å; K252-E256 WeakPolarHBondContact O-CG 3.11Å; K252-E256 PolarHBondContact O-N 3.03Å
253T76.7Confident75.8Confident5 Ų558.4 Ų58.43%0.03130%0.296CS..Hα-helixtrans-54.8-51.7173.8-54.30000110.7S202 P204 M207 H249 F250 F255 E256 T257S202-T253 WeakPolarHBondContact O-CG2 3.4Å; P204-T253 HydrophobicContact CG-CG2 4.08Å; M207-T253 HydrophobicContact CG-CG2 4.31Å; H249-T253 PolarHBondContact O-N 2.87Å; H249-T253 PolarHBondContact O-OG1 2.86Å; F250-T253 WeakPolarHBondContact O-CB 3.48Å; F250-T253 PolarHBondContact O-N 3.36Å; T253-F255 VanDerWaalsContact C-N 3.3Å; T253-F255 PolarHBondContact O-N 3.29Å; T253-E256 PolarHBondContact O-N 3.34Å; T253-T257 HydrophobicContact CG2-CG2 4.33Å; T253-T257 WeakPolarHBondContact O-CG2 3.27Å; T253-T257 PolarHBondContact O-N 3.32Å
254I78.4Confident74.9Confident0 Ų060 Ų600%031%0.309CS..Hα-helixtrans-60.7-40.5177.1-58.2160.8000111.2M207 F211 I240 V244 F250 K252 E256 T257 V258 V274 L278M207-I254 HydrophobicContact CE-CD1 4.34Å; M207-I254 HydrophobicContact CE-CG1 3.4Å; M207-I254 VanDerWaalsContact CE-CG1 3.4Å; F211-I254 HydrophobicContact CE2-CG2 3.96Å; F211-I254 HydrophobicContact CZ-CG1 4.24Å; F211-I254 HydrophobicContact CZ-CG2 4.01Å; I240-I254 HydrophobicContact CG2-CD1 4.08Å; V244-I254 HydrophobicContact CG2-CD1 3.69Å; F250-I254 HydrophobicContact CD1-CD1 3.88Å; F250-I254 HydrophobicContact CE1-CD1 3.43Å; F250-I254 VanDerWaalsContact CE1-CD1 3.43Å; F250-I254 HydrophobicContact CE1-CG1 4.29Å; F250-I254 HydrophobicContact CE2-CD1 4.41Å; F250-I254 HydrophobicContact CE2-CG1 4.44Å; F250-I254 HydrophobicContact CZ-CD1 3.72Å; F250-I254 HydrophobicContact CZ-CG1 4.19Å; F250-I254 WeakPolarHBondContact O-CG1 3.43Å; F250-I254 PolarHBondContact O-N 2.76Å; K252-I254 PolarHBondContact O-N 3.36Å; I254-E256 VanDerWaalsContact C-N 3.35Å; I254-E256 PolarHBondContact O-N 3.41Å; I254-T257 WeakPolarHBondContact CA-OG1 3.23Å; I254-T257 PolarHBondContact O-N 3.09Å; I254-T257 PolarHBondContact O-OG1 3.18Å; I254-V258 HydrophobicContact CG2-CG2 4.05Å; I254-V258 WeakPolarHBondContact O-CB 3.45Å; I254-V258 VanDerWaalsContact O-CG2 3.29Å; I254-V258 WeakPolarHBondContact O-CG2 3.37Å; I254-V258 PolarHBondContact O-N 2.95Å; I254-V274 HydrophobicContact CG2-CG1 3.71Å; I254-L278 HydrophobicContact CB-CD1 4.09Å; I254-L278 HydrophobicContact CD1-CD2 4.3Å; I254-L278 HydrophobicContact CG2-CD1 3.68Å
255F77Confident74.1Confident14 Ų1462 Ų626%0.06132%0.319CS..Hα-helixtrans-65-39.1177.6-177.9-99.1000112.4G251 K252 T253 K259 L275 T284 Q287 A288 L291G251-F255 PolarHBondContact O-N 3.35Å; K252-F255 PolarHBondContact O-N 3.24Å; K252-F255 VanDerWaalsContact O-N 3.14Å; T253-F255 VanDerWaalsContact C-N 3.3Å; T253-F255 PolarHBondContact O-N 3.29Å; F255-K259 HydrophobicContact CE1-CD 3.92Å; F255-K259 HydrophobicContact CZ-CD 4.37Å; F255-K259 WeakPolarHBondContact O-CB 3.32Å; F255-K259 PolarHBondContact O-N 3.34Å; F255-L275 HydrophobicContact CD2-CD2 4.48Å; F255-T284 HydrophobicContact CB-CG2 4.46Å; F255-Q287 HydrophobicContact CD1-CB 4.01Å; F255-Q287 VanDerWaalsContact CD1-OE1 3.32Å; F255-Q287 HydrophobicContact CD2-CB 4.34Å; F255-Q287 HydrophobicContact CE1-CB 3.59Å; F255-Q287 HydrophobicContact CE1-CG 4.4Å; F255-Q287 VanDerWaalsContact CE2-C 3.44Å; F255-Q287 HydrophobicContact CE2-CB 3.96Å; F255-Q287 WeakPolarHBondContact CE2-O 3.28Å; F255-Q287 HydrophobicContact CG-CB 4.37Å; F255-Q287 HydrophobicContact CZ-CB 3.58Å; F255-Q287 WeakPolarHBondContact CZ-O 3.27Å; F255-A288 HydrophobicContact CD2-CB 4.2Å; F255-A288 HydrophobicContact CE2-CB 4.37Å; F255-L291 HydrophobicContact CD2-CD2 4.35Å; F255-L291 HydrophobicContact CE2-CB 3.79Å; F255-L291 HydrophobicContact CE2-CD2 3.6Å; F255-L291 HydrophobicContact CE2-CG 4.34Å; F255-L291 HydrophobicContact CZ-CB 4.19Å; F255-L291 HydrophobicContact CZ-CD2 4.18Å
256E77Confident73.3Confident114 Ų11455.2 Ų55.253%0.53329%0.29SS..Hα-helixtrans-68.6-36.9175.6-71.7-173.9176.500112K252 T253 I254 K259 C260K252-E256 WeakPolarHBondContact O-CG 3.11Å; K252-E256 PolarHBondContact O-N 3.03Å; T253-E256 PolarHBondContact O-N 3.34Å; I254-E256 VanDerWaalsContact C-N 3.35Å; I254-E256 PolarHBondContact O-N 3.41Å; E256-K259 PolarHBondContact O-N 2.94Å; E256-C260 PolarHBondContact O-N 3.2Å
257T73.8Confident72.4Confident4 Ų452.1 Ų52.13%0.02527%0.268CS..Hα-helixtrans-67-49.2175.966.30000111P204 M207 T253 I254 K259 C260 L261P204-T257 HydrophobicContact CB-CG2 4.16Å; P204-T257 WeakPolarHBondContact O-CG2 3.16Å; M207-T257 HydrophobicContact CB-CG2 3.57Å; M207-T257 HydrophobicContact CG-CG2 4.4Å; T253-T257 HydrophobicContact CG2-CG2 4.33Å; T253-T257 WeakPolarHBondContact O-CG2 3.27Å; T253-T257 PolarHBondContact O-N 3.32Å; I254-T257 WeakPolarHBondContact CA-OG1 3.23Å; I254-T257 PolarHBondContact O-N 3.09Å; I254-T257 PolarHBondContact O-OG1 3.18Å; T257-K259 PolarHBondContact O-N 3.17Å; T257-C260 WeakPolarHBondContact O-CB 3.38Å; T257-C260 PolarHBondContact O-N 3.18Å; T257-L261 PolarHBondContact O-N 3.48Å
258V75.5Confident72.2Confident0 Ų050.4 Ų50.40%026%0.261CS..Hα-helixtrans-64.7-22.7178.9177.70000112.1I254 L261 I266 Y271 L275 L291I254-V258 HydrophobicContact CG2-CG2 4.05Å; I254-V258 WeakPolarHBondContact O-CB 3.45Å; I254-V258 VanDerWaalsContact O-CG2 3.29Å; I254-V258 WeakPolarHBondContact O-CG2 3.37Å; I254-V258 PolarHBondContact O-N 2.95Å; V258-L261 HydrophobicContact CB-CD1 4.33Å; V258-L261 HydrophobicContact CG1-CD1 4.27Å; V258-L261 HydrophobicContact CG2-CD1 4.37Å; V258-I266 WeakPolarHBondContact O-CD1 3.12Å; V258-Y271 HydrophobicContact CG1-CD1 4.43Å; V258-Y271 HydrophobicContact CG2-CD1 3.87Å; V258-Y271 HydrophobicContact CG2-CE1 4.26Å; V258-L275 HydrophobicContact CG1-CD1 3.92Å; V258-L275 HydrophobicContact CG1-CD2 4.02Å; V258-L275 HydrophobicContact CG1-CG 4.06Å; V258-L291 HydrophobicContact CG1-CD2 4.12Å
259K75.9Confident72.1Confident135 Ų13546.5 Ų46.559%0.58724%0.243SC*.Hα-helixtrans-83-20.3172.2179.7-178169.9-164.70114F255 E256 T257F255-K259 HydrophobicContact CE1-CD 3.92Å; F255-K259 HydrophobicContact CZ-CD 4.37Å; F255-K259 WeakPolarHBondContact O-CB 3.32Å; F255-K259 PolarHBondContact O-N 3.34Å; E256-K259 PolarHBondContact O-N 2.94Å; T257-K259 PolarHBondContact O-N 3.17Å
260C69.3Low72.1Confident97 Ų9740.5 Ų40.566%0.65522%0.215SC*.Hα-helixtrans-80.9-28.2173-84.10000112.9E256 T257E256-C260 PolarHBondContact O-N 3.2Å; T257-C260 WeakPolarHBondContact O-CB 3.38Å; T257-C260 PolarHBondContact O-N 3.18Å
261L69Low72.1Confident14 Ų1440.4 Ų40.47%0.07321%0.214CC..SBendtrans-52.4155.6176.9-67.3174.4000114E208 T257 V258 L265 I266 Y271E208-L261 HydrophobicContact CG-CD2 3.95Å; T257-L261 PolarHBondContact O-N 3.48Å; V258-L261 HydrophobicContact CB-CD1 4.33Å; V258-L261 HydrophobicContact CG1-CD1 4.27Å; V258-L261 HydrophobicContact CG2-CD1 4.37Å; L261-L265 HydrophobicContact CD2-CD2 4.05Å; L261-I266 HydrophobicContact CB-CD1 4.39Å; L261-I266 HydrophobicContact CB-CG1 3.97Å; L261-I266 HydrophobicContact CD1-CG1 4.42Å; L261-Y271 HydrophobicContact CD1-CD1 3.73Å; L261-Y271 HydrophobicContact CD1-CD2 3.86Å; L261-Y271 HydrophobicContact CD1-CE1 3.39Å; L261-Y271 HydrophobicContact CD1-CE2 3.52Å; L261-Y271 HydrophobicContact CD1-CG 3.95Å
262S64.1Low72.4Confident28 Ų2840.6 Ų40.620%0.19622%0.215CC..  trans-65.5148169.279.70000111.8S264 L265 I266S262-S264 VanDerWaalsContact C-N 3.26Å; S262-S264 PolarHBondContact O-N 2.83Å; S262-S264 PolarHBondContact OG-OG 3.36Å; S262-L265 PolarHBondContact O-N 3.14Å; S262-L265 VanDerWaalsContact O-N 3.11Å; S262-L265 PolarHBondContact OG-N 2.92Å; S262-I266 WeakPolarHBondContact O-CG1 3.29Å; S262-I266 PolarHBondContact O-N 3.48Å
263K65.1Low72.6Confident124 Ų12435.9 Ų35.954%0.53920%0.195SC..Hα-helixtrans-59.8-33.8-178.7-69.2-172.5176.7-174.80113.6L265 G267 I1350K263-L265 VanDerWaalsContact C-N 3.34Å; K263-G267 PolarHBondContact O-N 2.88Å; K263-I1350 HydrophobicContact CB-CD1 4.06Å; K263-I1350 HydrophobicContact CG-CD1 4.35Å
264S61.5Low72.8Confident51 Ų5135.6 Ų35.636%0.35719%0.193SC..Hα-helixtrans-66.5-38.5177.858.10000111.2S262 G267 I1350S262-S264 VanDerWaalsContact C-N 3.26Å; S262-S264 PolarHBondContact O-N 2.83Å; S262-S264 PolarHBondContact OG-OG 3.36Å; S264-G267 PolarHBondContact O-N 2.81Å; S264-I1350 WeakPolarHBondContact OG-CG2 3.32Å
265L63.1Low72.9Confident42 Ų4235.6 Ų35.622%0.2219%0.193CC..Hα-helixtrans-65.9-43.2176.8-114.872.4000112.6L212 L261 S262 K263 G267 S268 Y271L212-L265 HydrophobicContact CD2-CD2 3.55Å; L212-L265 HydrophobicContact CG-CD2 4.33Å; L261-L265 HydrophobicContact CD2-CD2 4.05Å; S262-L265 PolarHBondContact O-N 3.14Å; S262-L265 VanDerWaalsContact O-N 3.11Å; S262-L265 PolarHBondContact OG-N 2.92Å; K263-L265 VanDerWaalsContact C-N 3.34Å; L265-G267 PolarHBondContact O-N 3.36Å; L265-S268 WeakPolarHBondContact O-CB 3.44Å; L265-S268 PolarHBondContact O-N 2.89Å; L265-S268 PolarHBondContact O-OG 3.39Å; L265-Y271 HydrophobicContact CB-CE2 4.16Å; L265-Y271 HydrophobicContact CD2-CE2 3.93Å; L265-Y271 HydrophobicContact CG-CE2 4.11Å; L265-Y271 VanDerWaalsContact O-CD2 3.28Å; L265-Y271 WeakPolarHBondContact O-CD2 3.48Å
266I64Low73.3Confident13 Ų1335 Ų357%0.06719%0.191CC..Hα-helixtrans-57.6-23.9176.2-57.2169.3000111.2V258 L261 S262 S268 Y272 L275 S295V258-I266 WeakPolarHBondContact O-CD1 3.12Å; L261-I266 HydrophobicContact CB-CD1 4.39Å; L261-I266 HydrophobicContact CB-CG1 3.97Å; L261-I266 HydrophobicContact CD1-CG1 4.42Å; S262-I266 WeakPolarHBondContact O-CG1 3.29Å; S262-I266 PolarHBondContact O-N 3.48Å; I266-S268 VanDerWaalsContact C-N 3.27Å; I266-S268 PolarHBondContact O-N 3.5Å; I266-Y272 WeakPolarHBondContact O-CD2 3.04Å; I266-Y272 VanDerWaalsContact O-CE2 3.24Å; I266-Y272 WeakPolarHBondContact O-CE2 3.23Å; I266-L275 HydrophobicContact CG2-CD1 4.48Å; I266-S295 WeakPolarHBondContact CG2-OG 3.43Å
267G63.7Low73.5Confident26 Ų2629.8 Ų29.827%0.26817%0.166SC..THydrogen-bonded Turntrans-60.7-26.117100000115.4K263 S264 L265 I325K263-G267 PolarHBondContact O-N 2.88Å; S264-G267 PolarHBondContact O-N 2.81Å; L265-G267 PolarHBondContact O-N 3.36Å; G267-I325 WeakPolarHBondContact O-CD1 3.12Å
268S72.2Confident73.9Confident34 Ų3429.6 Ų29.624%0.23817%0.165CC..SBendtrans-74.2151.4-170.6650000114.9L265 I266 F270 Y271 Y272L265-S268 WeakPolarHBondContact O-CB 3.44Å; L265-S268 PolarHBondContact O-N 2.89Å; L265-S268 PolarHBondContact O-OG 3.39Å; I266-S268 VanDerWaalsContact C-N 3.27Å; I266-S268 PolarHBondContact O-N 3.5Å; S268-F270 PolarHBondContact O-N 3.44Å; S268-F270 VanDerWaalsContact O-N 3.15Å; S268-Y271 PolarHBondContact O-N 2.91Å; S268-Y271 WeakPolarHBondContact OG-CD2 3.35Å; S268-Y272 PolarHBondContact O-N 3.45Å; S268-Y272 VanDerWaalsContact O-N 3.16Å
269E76.9Confident74.1Confident45 Ų4529.6 Ų29.621%0.2117%0.165CC..Hα-helixtrans-49.7-40.6-179.4-172-177156.500113.1Y219 R233 T273 I325 L329 H332Y219-E269 HydrophobicContact CD1-CB 4.4Å; Y219-E269 HydrophobicContact CE1-CB 4.04Å; Y219-E269 HydrophobicContact CE1-CG 3.82Å; R233-E269 IonicContact NH1-OE1 2.6Å; E269-T273 PolarHBondContact O-N 3.37Å; E269-T273 PolarHBondContact O-OG1 3.07Å; E269-I325 HydrophobicContact CB-CG2 4.16Å; E269-I325 HydrophobicContact CG-CG2 4.41Å; E269-L329 HydrophobicContact CG-CD1 4.39Å; E269-L329 HydrophobicContact CG-CD2 3.5Å; E269-L329 HydrophobicContact CG-CG 3.91Å; E269-H332 IonicContact OE1-CE1 3Å; E269-H332 PolarHBondContact OE1-CE1 3.17Å; E269-H332 IonicContact OE1-ND1 2.72Å
270F78.9Confident74.4Confident3 Ų324.5 Ų24.51%0.01315%0.146CC..Hα-helixtrans-61.5-51.9179.9179.2-114.4000112.9F211 L214 I215 Y219 M237 S268 T273 V274F211-F270 HydrophobicContact CB-CE1 3.96Å; F211-F270 AromaticContact CD1-CE1 3.58Å; F211-F270 HydrophobicContact CD1-CE1 3.58Å; F211-F270 AromaticContact CD1-CZ 3.67Å; F211-F270 HydrophobicContact CD1-CZ 3.67Å; F211-F270 HydrophobicContact CE1-CE1 4.35Å; F211-F270 HydrophobicContact CE1-CZ 4.14Å; F211-F270 AromaticContact CG-CE1 3.97Å; F211-F270 HydrophobicContact CG-CE1 3.97Å; L214-F270 HydrophobicContact CB-CZ 4.48Å; L214-F270 HydrophobicContact CD1-CZ 4.46Å; I215-F270 HydrophobicContact CD1-CD1 3.99Å; I215-F270 HydrophobicContact CG1-CB 3.95Å; I215-F270 HydrophobicContact CG1-CD1 3.59Å; I215-F270 HydrophobicContact CG1-CE1 4.39Å; I215-F270 HydrophobicContact CG1-CG 3.96Å; Y219-F270 HydrophobicContact CD2-CB 4.16Å; Y219-F270 HydrophobicContact CD2-CD2 4.48Å; Y219-F270 HydrophobicContact CE2-CB 3.73Å; Y219-F270 AromaticContact CE2-CD2 3.61Å; Y219-F270 HydrophobicContact CE2-CD2 3.61Å; Y219-F270 HydrophobicContact CE2-CG 4.04Å; M237-F270 HydrophobicContact CE-CE2 4.41Å; S268-F270 PolarHBondContact O-N 3.44Å; S268-F270 VanDerWaalsContact O-N 3.15Å; F270-T273 WeakPolarHBondContact O-CA 3.15Å; F270-T273 VanDerWaalsContact O-CB 3.29Å; F270-T273 WeakPolarHBondContact O-CB 3.43Å; F270-T273 PolarHBondContact O-N 3.38Å; F270-T273 VanDerWaalsContact O-N 3.09Å; F270-V274 HydrophobicContact CD1-CG2 4.46Å; F270-V274 HydrophobicContact CD2-CG2 4.29Å; F270-V274 HydrophobicContact CE1-CG2 4.03Å; F270-V274 HydrophobicContact CE2-CG2 3.87Å; F270-V274 HydrophobicContact CZ-CG2 3.72Å; F270-V274 WeakPolarHBondContact O-CG2 3.38Å; F270-V274 PolarHBondContact O-N 2.94Å
271Y79Confident74.9Confident0 Ų021.2 Ų21.20%012%0.122CC..Hα-helixtrans-72.9-29.8-178.1-65.1-63.6000112.7F211 I215 V258 L261 L265 S268 T273 V274 L275F211-Y271 HydrophobicContact CB-CE1 3.77Å; F211-Y271 VanDerWaalsContact CB-OH 3.28Å; F211-Y271 WeakPolarHBondContact CB-OH 3.36Å; F211-Y271 HydrophobicContact CD2-CE1 4.19Å; F211-Y271 HydrophobicContact CG-CE1 4.1Å; I215-Y271 HydrophobicContact CD1-CD2 4.13Å; I215-Y271 HydrophobicContact CD1-CE2 3.31Å; V258-Y271 HydrophobicContact CG1-CD1 4.43Å; V258-Y271 HydrophobicContact CG2-CD1 3.87Å; V258-Y271 HydrophobicContact CG2-CE1 4.26Å; L261-Y271 HydrophobicContact CD1-CD1 3.73Å; L261-Y271 HydrophobicContact CD1-CD2 3.86Å; L261-Y271 HydrophobicContact CD1-CE1 3.39Å; L261-Y271 HydrophobicContact CD1-CE2 3.52Å; L261-Y271 HydrophobicContact CD1-CG 3.95Å; L265-Y271 HydrophobicContact CB-CE2 4.16Å; L265-Y271 HydrophobicContact CD2-CE2 3.93Å; L265-Y271 HydrophobicContact CG-CE2 4.11Å; L265-Y271 VanDerWaalsContact O-CD2 3.28Å; L265-Y271 WeakPolarHBondContact O-CD2 3.48Å; S268-Y271 PolarHBondContact O-N 2.91Å; S268-Y271 WeakPolarHBondContact OG-CD2 3.35Å; Y271-T273 VanDerWaalsContact C-N 3.31Å; Y271-V274 PolarHBondContact O-N 3.19Å; Y271-L275 VanDerWaalsContact O-CB 3.3Å; Y271-L275 WeakPolarHBondContact O-CB 3.14Å; Y271-L275 VanDerWaalsContact O-CG 3.25Å; Y271-L275 WeakPolarHBondContact O-CG 3.28Å; Y271-L275 PolarHBondContact O-N 3.18Å
272Y81.1Confident75.4Confident4 Ų431 Ų312%0.01616%0.158CC..Hα-helixtrans-57.2-47.8165.3-91.1-98.8000110.5I266 S268 L275 M276 L292 I296 I326I266-Y272 WeakPolarHBondContact O-CD2 3.04Å; I266-Y272 VanDerWaalsContact O-CE2 3.24Å; I266-Y272 WeakPolarHBondContact O-CE2 3.23Å; S268-Y272 PolarHBondContact O-N 3.45Å; S268-Y272 VanDerWaalsContact O-N 3.16Å; Y272-L275 PolarHBondContact O-N 3.13Å; Y272-M276 HydrophobicContact CD1-CE 3.7Å; Y272-M276 VanDerWaalsContact O-CG 3.3Å; Y272-M276 WeakPolarHBondContact O-CG 3.41Å; Y272-M276 PolarHBondContact O-N 2.89Å; Y272-L292 HydrophobicContact CD1-CD2 3.89Å; Y272-L292 HydrophobicContact CE1-CD2 4Å; Y272-L292 HydrophobicContact CG-CD2 4.45Å; Y272-I296 HydrophobicContact CE1-CD1 4.12Å; Y272-I296 HydrophobicContact CE1-CG1 3.72Å; Y272-I296 WeakPolarHBondContact OH-CG1 3.37Å; Y272-I326 HydrophobicContact CD1-CD1 4.41Å; Y272-I326 HydrophobicContact CD1-CG1 4.07Å; Y272-I326 HydrophobicContact CE1-CD1 4.06Å; Y272-I326 HydrophobicContact CE1-CG1 4.16Å
273T82.2Confident76Confident0 Ų031.4 Ų31.40%016%0.161CC..Hα-helixtrans-58.7-50.4177.7-47.40000112.5M237 E269 F270 Y271 L275 M276 T277 L329 W338 T341M237-T273 HydrophobicContact CE-CG2 3.62Å; M237-T273 HydrophobicContact CG-CG2 4.27Å; M237-T273 HydrophobicContact SD-CG2 4.29Å; E269-T273 PolarHBondContact O-N 3.37Å; E269-T273 PolarHBondContact O-OG1 3.07Å; F270-T273 WeakPolarHBondContact O-CA 3.15Å; F270-T273 VanDerWaalsContact O-CB 3.29Å; F270-T273 WeakPolarHBondContact O-CB 3.43Å; F270-T273 PolarHBondContact O-N 3.38Å; F270-T273 VanDerWaalsContact O-N 3.09Å; Y271-T273 VanDerWaalsContact C-N 3.31Å; T273-L275 VanDerWaalsContact C-N 3.31Å; T273-L275 PolarHBondContact O-N 3.03Å; T273-M276 PolarHBondContact O-N 3.45Å; T273-T277 PolarHBondContact O-N 2.84Å; T273-T277 VanDerWaalsContact O-N 3.12Å; T273-L329 WeakPolarHBondContact OG1-CD2 3.31Å; T273-W338 HydrophobicContact CG2-CH2 4.35Å; T273-W338 HydrophobicContact CG2-CZ3 3.64Å; T273-T341 HydrophobicContact CG2-CG2 4.16Å
274V81.2Confident76.6Confident0 Ų025.5 Ų25.50%014%0.135CC..Hα-helixtrans-60.4-40.5178.5174.20000111.1M237 I254 F270 Y271 T277 L278M237-V274 HydrophobicContact CE-CG2 3.79Å; M237-V274 HydrophobicContact SD-CG2 4.29Å; I254-V274 HydrophobicContact CG2-CG1 3.71Å; F270-V274 HydrophobicContact CD1-CG2 4.46Å; F270-V274 HydrophobicContact CD2-CG2 4.29Å; F270-V274 HydrophobicContact CE1-CG2 4.03Å; F270-V274 HydrophobicContact CE2-CG2 3.87Å; F270-V274 HydrophobicContact CZ-CG2 3.72Å; F270-V274 WeakPolarHBondContact O-CG2 3.38Å; F270-V274 PolarHBondContact O-N 2.94Å; Y271-V274 PolarHBondContact O-N 3.19Å; V274-T277 PolarHBondContact O-N 2.82Å; V274-T277 PolarHBondContact O-OG1 2.91Å; V274-T277 VanDerWaalsContact O-OG1 3.14Å; V274-L278 HydrophobicContact CG1-CD1 4.1Å; V274-L278 VanDerWaalsContact O-CG 3.3Å; V274-L278 WeakPolarHBondContact O-CG 3.4Å; V274-L278 PolarHBondContact O-N 2.93Å
275L81.6Confident77.6Confident0 Ų026 Ų260%013%0.132CC..Hα-helixtrans-69.7-34177-72.1170.5000112.5F255 V258 I266 Y271 Y272 T273 L278 L279 A288 L291 L292F255-L275 HydrophobicContact CD2-CD2 4.48Å; V258-L275 HydrophobicContact CG1-CD1 3.92Å; V258-L275 HydrophobicContact CG1-CD2 4.02Å; V258-L275 HydrophobicContact CG1-CG 4.06Å; I266-L275 HydrophobicContact CG2-CD1 4.48Å; Y271-L275 VanDerWaalsContact O-CB 3.3Å; Y271-L275 WeakPolarHBondContact O-CB 3.14Å; Y271-L275 VanDerWaalsContact O-CG 3.25Å; Y271-L275 WeakPolarHBondContact O-CG 3.28Å; Y271-L275 PolarHBondContact O-N 3.18Å; Y272-L275 PolarHBondContact O-N 3.13Å; T273-L275 VanDerWaalsContact C-N 3.31Å; T273-L275 PolarHBondContact O-N 3.03Å; L275-L278 HydrophobicContact CD2-CD1 4.49Å; L275-L278 PolarHBondContact O-N 3.32Å; L275-L279 WeakPolarHBondContact O-CD1 3.42Å; L275-L279 PolarHBondContact O-N 2.99Å; L275-A288 HydrophobicContact CD2-CB 4.22Å; L275-L291 HydrophobicContact CD1-CD2 4.19Å; L275-L291 HydrophobicContact CD1-CG 4.45Å; L275-L291 HydrophobicContact CD2-CD2 4.11Å; L275-L292 HydrophobicContact CB-CD1 3.85Å; L275-L292 HydrophobicContact CB-CD2 3.71Å; L275-L292 HydrophobicContact CB-CG 3.74Å; L275-L292 HydrophobicContact CD1-CD2 3.71Å; L275-L292 HydrophobicContact CD1-CG 4.03Å; L275-L292 HydrophobicContact CG-CD2 4.37Å; L275-L292 HydrophobicContact CG-CG 4.46Å
276M83.4Confident78.5Confident2 Ų228.5 Ų28.51%0.0115%0.153CC..Hα-helixtrans-62.5-41.3172.1-62-44.3147.900111.5Y272 T273 L279 P280 L292 T341 G344 M345 L348Y272-M276 HydrophobicContact CD1-CE 3.7Å; Y272-M276 VanDerWaalsContact O-CG 3.3Å; Y272-M276 WeakPolarHBondContact O-CG 3.41Å; Y272-M276 PolarHBondContact O-N 2.89Å; T273-M276 PolarHBondContact O-N 3.45Å; M276-L279 VanDerWaalsContact O-CB 3.27Å; M276-L279 WeakPolarHBondContact O-CB 3.06Å; M276-L279 PolarHBondContact O-N 3.07Å; M276-P280 WeakPolarHBondContact O-CD 3.49Å; M276-L292 HydrophobicContact CE-CD1 3.64Å; M276-L292 HydrophobicContact CE-CD2 3.71Å; M276-L292 HydrophobicContact CE-CG 4.34Å; M276-L292 HydrophobicContact SD-CD1 3.67Å; M276-T341 HydrophobicContact CB-CG2 3.83Å; M276-T341 HydrophobicContact CG-CG2 4.47Å; M276-G344 WeakPolarHBondContact O-CA 3.46Å; M276-M345 HydrophobicContact CB-CG 4.15Å; M276-M345 HydrophobicContact CG-CG 3.62Å; M276-M345 HydrophobicContact CG-SD 4.48Å; M276-M345 HydrophobicContact SD-CG 4Å; M276-L348 HydrophobicContact CE-CD2 3.66Å; M276-L348 HydrophobicContact SD-CB 4.24Å; M276-L348 HydrophobicContact SD-CD2 3.92Å
277T81.6Confident79.3Confident3 Ų332.2 Ų32.22%0.01817%0.17CC..Hα-helixtrans-78.1-21.7-178.761.70000113.7M237 F241 T273 V274 L279 P280 T341M237-T277 HydrophobicContact CG-CG2 3.25Å; M237-T277 HydrophobicContact SD-CG2 3.73Å; M237-T277 PolarHBondContact SD-OG1 3.07Å; F241-T277 WeakPolarHBondContact CD2-O 3.5Å; F241-T277 WeakPolarHBondContact CE2-O 3.34Å; T273-T277 PolarHBondContact O-N 2.84Å; T273-T277 VanDerWaalsContact O-N 3.12Å; V274-T277 PolarHBondContact O-N 2.82Å; V274-T277 PolarHBondContact O-OG1 2.91Å; V274-T277 VanDerWaalsContact O-OG1 3.14Å; T277-L279 VanDerWaalsContact C-N 3.3Å; T277-P280 WeakPolarHBondContact O-CD 3.32Å; T277-T341 HydrophobicContact CG2-CG2 4.01Å; T277-T341 WeakPolarHBondContact CG2-OG1 3.19Å
278L82.6Confident80.1Confident1 Ų131 Ų311%0.00516%0.157CC..Hα-helixtrans-75-15.3167-69.2173.6000113.8V244 I254 V274 L275 N281 T284V244-L278 HydrophobicContact CB-CD2 4.44Å; V244-L278 HydrophobicContact CG1-CD2 3.94Å; V244-L278 HydrophobicContact CG2-CD2 3.7Å; I254-L278 HydrophobicContact CB-CD1 4.09Å; I254-L278 HydrophobicContact CD1-CD2 4.3Å; I254-L278 HydrophobicContact CG2-CD1 3.68Å; V274-L278 HydrophobicContact CG1-CD1 4.1Å; V274-L278 VanDerWaalsContact O-CG 3.3Å; V274-L278 WeakPolarHBondContact O-CG 3.4Å; V274-L278 PolarHBondContact O-N 2.93Å; L275-L278 HydrophobicContact CD2-CD1 4.49Å; L275-L278 PolarHBondContact O-N 3.32Å; L278-N281 PolarHBondContact O-N 3.26Å; L278-T284 PolarHBondContact O-OG1 2.79Å
279L80.7Confident80.6Confident0 Ų030.2 Ų30.20%015%0.151CC..SBendtrans-69.6-40.5-174.5-126.269.5000114.6L275 M276 T277 N281 Q285 A288 L292 G344 L347 L348L275-L279 WeakPolarHBondContact O-CD1 3.42Å; L275-L279 PolarHBondContact O-N 2.99Å; M276-L279 VanDerWaalsContact O-CB 3.27Å; M276-L279 WeakPolarHBondContact O-CB 3.06Å; M276-L279 PolarHBondContact O-N 3.07Å; T277-L279 VanDerWaalsContact C-N 3.3Å; L279-N281 PolarHBondContact O-N 3.21Å; L279-Q285 WeakPolarHBondContact O-CB 3.49Å; L279-Q285 WeakPolarHBondContact O-CG 3.35Å; L279-A288 HydrophobicContact CD1-CB 3.59Å; L279-L292 HydrophobicContact CD1-CD1 3.7Å; L279-L292 HydrophobicContact CD2-CD1 4.17Å; L279-G344 VanDerWaalsContact CD2-O 3.28Å; L279-G344 WeakPolarHBondContact CD2-O 3.5Å; L279-L347 HydrophobicContact CB-CD2 4.07Å; L279-L347 HydrophobicContact CD2-CB 4.27Å; L279-L347 HydrophobicContact CD2-CD2 3.92Å; L279-L347 HydrophobicContact CD2-CG 4.03Å; L279-L347 HydrophobicContact CG-CD2 3.79Å; L279-L347 HydrophobicContact CG-CG 4.44Å; L279-L348 HydrophobicContact CD2-CB 4.23Å
280P81.4Confident80.9Confident28 Ų2834.4 Ų34.418%0.18217%0.171CC..SBendtrans-63.4-22.7175.1-26.735.3000115.1F241 M276 T277 R282 F340 Q343F241-P280 HydrophobicContact CE2-CB 4.24Å; F241-P280 HydrophobicContact CZ-CB 4.48Å; M276-P280 WeakPolarHBondContact O-CD 3.49Å; T277-P280 WeakPolarHBondContact O-CD 3.32Å; P280-R282 PolarHBondContact O-N 3.01Å; P280-F340 WeakPolarHBondContact CG-O 3.27Å; P280-Q343 HydrophobicContact CB-CG 4.48Å; P280-Q343 HydrophobicContact CG-CB 4.1Å; P280-Q343 HydrophobicContact CG-CG 4.15Å
281N80.6Confident81Confident27 Ų2735.8 Ų35.814%0.14418%0.178CC..SBendtrans-79.2113.2-179.6-178.45.3000111.1V244 L278 L279 S283 T284 Q285V244-N281 HydrophobicContact CG1-CB 4.27Å; V244-N281 WeakPolarHBondContact CG1-ND2 3.31Å; L278-N281 PolarHBondContact O-N 3.26Å; L279-N281 PolarHBondContact O-N 3.21Å; N281-S283 PolarHBondContact ND2-OG 3.39Å; N281-S283 PolarHBondContact O-N 3.22Å; N281-S283 PolarHBondContact OD1-N 3.47Å; N281-S283 PolarHBondContact OD1-OG 3.09Å; N281-T284 PolarHBondContact O-N 3.4Å; N281-T284 PolarHBondContact O-OG1 3.46Å; N281-T284 VanDerWaalsContact O-OG1 3.12Å; N281-Q285 WeakPolarHBondContact O-CB 3Å; N281-Q285 PolarHBondContact O-N 2.9Å
282R79.3Confident81.2Confident219 Ų21935.8 Ų35.883%0.82618%0.178SC*.THydrogen-bonded Turntrans-54.1-27.4-175.8-65.1-173.7-179.3-163.70.7115P280P280-R282 PolarHBondContact O-N 3.01Å
283S76.4Confident81.3Confident38 Ų3836.6 Ų36.627%0.26618%0.183SC..THydrogen-bonded Turntrans-74.2-31.7179.864.30000113.3N281N281-S283 PolarHBondContact ND2-OG 3.39Å; N281-S283 PolarHBondContact O-N 3.22Å; N281-S283 PolarHBondContact OD1-N 3.47Å; N281-S283 PolarHBondContact OD1-OG 3.09Å
284T76.8Confident81.3Confident0 Ų039.8 Ų39.80%020%0.203CC..THydrogen-bonded Turntrans-100.1-25.7178.542.20000113G251 F255 L278 N281 S286 Q287 A288G251-T284 WeakPolarHBondContact O-CG2 3.32Å; F255-T284 HydrophobicContact CB-CG2 4.46Å; L278-T284 PolarHBondContact O-OG1 2.79Å; N281-T284 PolarHBondContact O-N 3.4Å; N281-T284 PolarHBondContact O-OG1 3.46Å; N281-T284 VanDerWaalsContact O-OG1 3.12Å; T284-S286 PolarHBondContact O-N 2.9Å; T284-Q287 WeakPolarHBondContact O-CA 3.38Å; T284-Q287 PolarHBondContact O-N 3.25Å; T284-A288 PolarHBondContact O-N 2.96Å
285Q83Confident81.2Confident62 Ų6240.5 Ų40.529%0.2921%0.208SC..Hα-helixtrans-38.7-62.6-173.6-176.6174.426.600113.3L279 N281 Q287 A288 T289 L347L279-Q285 WeakPolarHBondContact O-CB 3.49Å; L279-Q285 WeakPolarHBondContact O-CG 3.35Å; N281-Q285 WeakPolarHBondContact O-CB 3Å; N281-Q285 PolarHBondContact O-N 2.9Å; Q285-Q287 PolarHBondContact O-N 3.32Å; Q285-A288 PolarHBondContact O-N 2.77Å; Q285-T289 WeakPolarHBondContact O-CB 3.32Å; Q285-T289 PolarHBondContact O-N 2.89Å; Q285-T289 PolarHBondContact O-OG1 3.28Å; Q285-L347 HydrophobicContact CG-CD2 3.95Å; Q285-L347 VanDerWaalsContact NE2-CD2 3.26Å
286S81Confident81.2Confident94 Ų9440.5 Ų40.566%0.65721%0.208SC*.Hα-helixtrans-62-29.9-176.4-172.70000113.8T284 Q290T284-S286 PolarHBondContact O-N 2.9Å; S286-Q290 WeakPolarHBondContact O-CB 3.4Å; S286-Q290 PolarHBondContact O-N 2.82Å
287Q80.9Confident81Confident91 Ų9144.2 Ų44.243%0.42523%0.227SC..Hα-helixtrans-82.6-46.8-177.5-58.5-174-21.700110.9F255 T284 Q285 Q290 L291F255-Q287 HydrophobicContact CD1-CB 4.01Å; F255-Q287 VanDerWaalsContact CD1-OE1 3.32Å; F255-Q287 HydrophobicContact CD2-CB 4.34Å; F255-Q287 HydrophobicContact CE1-CB 3.59Å; F255-Q287 HydrophobicContact CE1-CG 4.4Å; F255-Q287 VanDerWaalsContact CE2-C 3.44Å; F255-Q287 HydrophobicContact CE2-CB 3.96Å; F255-Q287 WeakPolarHBondContact CE2-O 3.28Å; F255-Q287 HydrophobicContact CG-CB 4.37Å; F255-Q287 HydrophobicContact CZ-CB 3.58Å; F255-Q287 WeakPolarHBondContact CZ-O 3.27Å; T284-Q287 WeakPolarHBondContact O-CA 3.38Å; T284-Q287 PolarHBondContact O-N 3.25Å; Q285-Q287 PolarHBondContact O-N 3.32Å; Q287-Q290 PolarHBondContact O-N 3.28Å; Q287-L291 PolarHBondContact O-N 3.23Å
288A81.8Confident80.8Confident0 Ų045.9 Ų45.90%024%0.238CC..Hα-helixtrans-65-38.5175.300000111.8F255 L275 L279 T284 Q285 L291 L292F255-A288 HydrophobicContact CD2-CB 4.2Å; F255-A288 HydrophobicContact CE2-CB 4.37Å; L275-A288 HydrophobicContact CD2-CB 4.22Å; L279-A288 HydrophobicContact CD1-CB 3.59Å; T284-A288 PolarHBondContact O-N 2.96Å; Q285-A288 PolarHBondContact O-N 2.77Å; A288-L291 PolarHBondContact O-N 3.23Å; A288-L292 WeakPolarHBondContact O-CB 3.32Å; A288-L292 PolarHBondContact O-N 3.05Å
289T82.5Confident80.5Confident18 Ų1846.5 Ų46.511%0.1124%0.244CC..Hα-helixtrans-64-41.1172.7-63.40000111.8Q285 T293 T351Q285-T289 WeakPolarHBondContact O-CB 3.32Å; Q285-T289 PolarHBondContact O-N 2.89Å; Q285-T289 PolarHBondContact O-OG1 3.28Å; T289-T293 WeakPolarHBondContact O-CB 3.44Å; T289-T293 WeakPolarHBondContact O-CG2 3.45Å; T289-T293 PolarHBondContact O-N 2.86Å; T289-T293 PolarHBondContact O-OG1 3.11Å; T289-T351 HydrophobicContact CG2-CG2 3.53Å
290Q82.9Confident80.3Confident133 Ų13346.6 Ų46.662%0.62125%0.245SC*.Hα-helixtrans-66-39.7174.3-174.5177.63.400111.5S286 Q287 T293 T294S286-Q290 WeakPolarHBondContact O-CB 3.4Å; S286-Q290 PolarHBondContact O-N 2.82Å; Q287-Q290 PolarHBondContact O-N 3.28Å; Q290-T293 PolarHBondContact O-OG1 3.34Å; Q290-T294 VanDerWaalsContact O-CB 3.24Å; Q290-T294 WeakPolarHBondContact O-CB 3.31Å; Q290-T294 PolarHBondContact O-N 2.96Å; Q290-T294 PolarHBondContact O-OG1 2.67Å
291L81.8Confident80Confident31 Ų3147.2 Ų47.216%0.16225%0.25CC..Hα-helixtrans-67-49.1178.9-175.659.9000111.6F255 V258 L275 Q287 A288 T294 S295F255-L291 HydrophobicContact CD2-CD2 4.35Å; F255-L291 HydrophobicContact CE2-CB 3.79Å; F255-L291 HydrophobicContact CE2-CD2 3.6Å; F255-L291 HydrophobicContact CE2-CG 4.34Å; F255-L291 HydrophobicContact CZ-CB 4.19Å; F255-L291 HydrophobicContact CZ-CD2 4.18Å; V258-L291 HydrophobicContact CG1-CD2 4.12Å; L275-L291 HydrophobicContact CD1-CD2 4.19Å; L275-L291 HydrophobicContact CD1-CG 4.45Å; L275-L291 HydrophobicContact CD2-CD2 4.11Å; Q287-L291 PolarHBondContact O-N 3.23Å; A288-L291 PolarHBondContact O-N 3.23Å; L291-T294 PolarHBondContact O-N 2.94Å; L291-S295 VanDerWaalsContact O-CB 3.32Å; L291-S295 WeakPolarHBondContact O-CB 3.37Å; L291-S295 PolarHBondContact O-N 3.14Å
292L83Confident79.8Confident0 Ų047.2 Ų47.20%025%0.25CC..Hα-helixtrans-60.1-49.3176.3-80.6174.9000112Y272 L275 M276 L279 A288 T294 S295 I296 L348Y272-L292 HydrophobicContact CD1-CD2 3.89Å; Y272-L292 HydrophobicContact CE1-CD2 4Å; Y272-L292 HydrophobicContact CG-CD2 4.45Å; L275-L292 HydrophobicContact CB-CD1 3.85Å; L275-L292 HydrophobicContact CB-CD2 3.71Å; L275-L292 HydrophobicContact CB-CG 3.74Å; L275-L292 HydrophobicContact CD1-CD2 3.71Å; L275-L292 HydrophobicContact CD1-CG 4.03Å; L275-L292 HydrophobicContact CG-CD2 4.37Å; L275-L292 HydrophobicContact CG-CG 4.46Å; M276-L292 HydrophobicContact CE-CD1 3.64Å; M276-L292 HydrophobicContact CE-CD2 3.71Å; M276-L292 HydrophobicContact CE-CG 4.34Å; M276-L292 HydrophobicContact SD-CD1 3.67Å; L279-L292 HydrophobicContact CD1-CD1 3.7Å; L279-L292 HydrophobicContact CD2-CD1 4.17Å; A288-L292 WeakPolarHBondContact O-CB 3.32Å; A288-L292 PolarHBondContact O-N 3.05Å; L292-T294 VanDerWaalsContact C-N 3.29Å; L292-T294 PolarHBondContact O-N 3.16Å; L292-S295 PolarHBondContact O-N 3.1Å; L292-S295 VanDerWaalsContact O-N 3.15Å; L292-I296 WeakPolarHBondContact O-CB 3.46Å; L292-I296 WeakPolarHBondContact O-CD1 3.38Å; L292-I296 VanDerWaalsContact O-CG1 3.25Å; L292-I296 WeakPolarHBondContact O-CG1 3.37Å; L292-I296 PolarHBondContact O-N 3.07Å; L292-L348 HydrophobicContact CB-CD1 4Å; L292-L348 HydrophobicContact CD1-CD1 4.1Å
293T82.8Confident79.5Confident22 Ų2237 Ų3714%0.13521%0.212CC..Hα-helixtrans-62.4-38.4178.949.60000111.6T289 Q290 L297 T351 L352T289-T293 WeakPolarHBondContact O-CB 3.44Å; T289-T293 WeakPolarHBondContact O-CG2 3.45Å; T289-T293 PolarHBondContact O-N 2.86Å; T289-T293 PolarHBondContact O-OG1 3.11Å; Q290-T293 PolarHBondContact O-OG1 3.34Å; T293-L297 VanDerWaalsContact O-CB 3.24Å; T293-L297 WeakPolarHBondContact O-CB 3.47Å; T293-L297 WeakPolarHBondContact O-CD1 3.42Å; T293-L297 WeakPolarHBondContact O-CG 3.48Å; T293-L297 PolarHBondContact O-N 2.89Å; T293-T351 HydrophobicContact CG2-CG2 3.85Å; T293-L352 HydrophobicContact CG2-CD2 4.35Å
294T81.2Confident79.4Confident67 Ų6736.7 Ų36.741%0.41121%0.206SC..Hα-helixtrans-65.5-41.7173.1-55.10000111.9Q290 L291 L292 L297 T298Q290-T294 VanDerWaalsContact O-CB 3.24Å; Q290-T294 WeakPolarHBondContact O-CB 3.31Å; Q290-T294 PolarHBondContact O-N 2.96Å; Q290-T294 PolarHBondContact O-OG1 2.67Å; L291-T294 PolarHBondContact O-N 2.94Å; L292-T294 VanDerWaalsContact C-N 3.29Å; L292-T294 PolarHBondContact O-N 3.16Å; T294-L297 WeakPolarHBondContact O-CB 3.4Å; T294-L297 PolarHBondContact O-N 3.08Å; T294-T298 PolarHBondContact O-N 2.91Å; T294-T298 PolarHBondContact O-OG1 3.5Å; T294-T298 VanDerWaalsContact O-OG1 3.09Å
295S79.3Confident79.4Confident14 Ų1437.4 Ų37.410%0.09821%0.21CC..Hα-helixtrans-68.2-39.8-178.7-1630000112.5I266 L291 L292 T298 G299I266-S295 WeakPolarHBondContact CG2-OG 3.43Å; L291-S295 VanDerWaalsContact O-CB 3.32Å; L291-S295 WeakPolarHBondContact O-CB 3.37Å; L291-S295 PolarHBondContact O-N 3.14Å; L292-S295 PolarHBondContact O-N 3.1Å; L292-S295 VanDerWaalsContact O-N 3.15Å; S295-T298 WeakPolarHBondContact CA-OG1 3.46Å; S295-T298 PolarHBondContact O-N 2.98Å; S295-T298 PolarHBondContact O-OG1 2.74Å; S295-G299 PolarHBondContact O-N 3.08Å
296I81.7Confident79Confident1 Ų134.5 Ų34.51%0.00520%0.197CC..Hα-helixtrans-67.6-41.3173.5-66.4163.1000110.3Y272 L292 G299 F300 P322 I326 L348 L352Y272-I296 HydrophobicContact CE1-CD1 4.12Å; Y272-I296 HydrophobicContact CE1-CG1 3.72Å; Y272-I296 WeakPolarHBondContact OH-CG1 3.37Å; L292-I296 WeakPolarHBondContact O-CB 3.46Å; L292-I296 WeakPolarHBondContact O-CD1 3.38Å; L292-I296 VanDerWaalsContact O-CG1 3.25Å; L292-I296 WeakPolarHBondContact O-CG1 3.37Å; L292-I296 PolarHBondContact O-N 3.07Å; I296-G299 PolarHBondContact O-N 3.19Å; I296-F300 HydrophobicContact CG2-CD2 3.7Å; I296-F300 HydrophobicContact CG2-CE2 3.34Å; I296-F300 HydrophobicContact CG2-CZ 4.12Å; I296-F300 VanDerWaalsContact O-CD2 3.26Å; I296-F300 WeakPolarHBondContact O-CD2 3.34Å; I296-F300 WeakPolarHBondContact O-CG 3.5Å; I296-F300 PolarHBondContact O-N 3.49Å; I296-P322 HydrophobicContact CG1-CB 4.4Å; I296-P322 HydrophobicContact CG2-CG 4.4Å; I296-I326 HydrophobicContact CD1-CD1 3.75Å; I296-I326 HydrophobicContact CG1-CD1 4.15Å; I296-L348 HydrophobicContact CD1-CD1 3.91Å; I296-L348 HydrophobicContact CD1-CD2 4.06Å; I296-L348 HydrophobicContact CD1-CG 4.46Å; I296-L352 HydrophobicContact CD1-CD1 4.49Å; I296-L352 HydrophobicContact CD1-CD2 4.06Å; I296-L352 HydrophobicContact CG2-CD2 4.21Å
297L79.4Confident78.5Confident80 Ų8032.5 Ų32.542%0.41918%0.178SC..Hα-helixtrans-60.3-45.4173.4-81.9165.7000111.9T293 T294 S301 I391T293-L297 VanDerWaalsContact O-CB 3.24Å; T293-L297 WeakPolarHBondContact O-CB 3.47Å; T293-L297 WeakPolarHBondContact O-CD1 3.42Å; T293-L297 WeakPolarHBondContact O-CG 3.48Å; T293-L297 PolarHBondContact O-N 2.89Å; T294-L297 WeakPolarHBondContact O-CB 3.4Å; T294-L297 PolarHBondContact O-N 3.08Å; L297-S301 PolarHBondContact O-N 3.38Å; L297-S301 PolarHBondContact O-OG 3.3Å; L297-I391 HydrophobicContact CD2-CD1 3.43Å; L297-I391 VanDerWaalsContact CD2-CD1 3.43Å; L297-I391 HydrophobicContact CD2-CG1 4.37Å
298T77.5Confident78.1Confident38 Ų3829.6 Ų29.623%0.23316%0.164CC..Hα-helixtrans-68.1-43.1176.148.50000111.7T294 S295 F300 S301 D302T294-T298 PolarHBondContact O-N 2.91Å; T294-T298 PolarHBondContact O-OG1 3.5Å; T294-T298 VanDerWaalsContact O-OG1 3.09Å; S295-T298 WeakPolarHBondContact CA-OG1 3.46Å; S295-T298 PolarHBondContact O-N 2.98Å; S295-T298 PolarHBondContact O-OG1 2.74Å; T298-F300 VanDerWaalsContact C-N 3.35Å; T298-F300 PolarHBondContact O-N 3.32Å; T298-S301 WeakPolarHBondContact CA-OG 3.23Å; T298-S301 PolarHBondContact O-N 3.24Å; T298-S301 VanDerWaalsContact O-N 3.13Å; T298-S301 PolarHBondContact O-OG 3.32Å; T298-D302 WeakPolarHBondContact O-CB 3.11Å; T298-D302 PolarHBondContact O-N 3.42Å
299G76Confident77.7Confident14 Ų1429.6 Ų29.614%0.14417%0.165CC..Hα-helixtrans-55-49.9174.800000111.8S295 I296 S301 D302 S303S295-G299 PolarHBondContact O-N 3.08Å; I296-G299 PolarHBondContact O-N 3.19Å; G299-S301 PolarHBondContact O-N 3.07Å; G299-D302 PolarHBondContact O-N 2.94Å; G299-S303 PolarHBondContact O-N 3.24Å; G299-S303 PolarHBondContact O-OG 3.46Å; G299-S303 VanDerWaalsContact O-OG 3.06Å
300F76.5Confident77.5Confident1 Ų129.4 Ų29.40%0.00416%0.164CC..Hα-helixtrans-64.2-35.7176.2-70.1-43000114.1I296 T298 H304 D321 P322 K323 L387 R390 I391I296-F300 HydrophobicContact CG2-CD2 3.7Å; I296-F300 HydrophobicContact CG2-CE2 3.34Å; I296-F300 HydrophobicContact CG2-CZ 4.12Å; I296-F300 VanDerWaalsContact O-CD2 3.26Å; I296-F300 WeakPolarHBondContact O-CD2 3.34Å; I296-F300 WeakPolarHBondContact O-CG 3.5Å; I296-F300 PolarHBondContact O-N 3.49Å; T298-F300 VanDerWaalsContact C-N 3.35Å; T298-F300 PolarHBondContact O-N 3.32Å; F300-H304 VanDerWaalsContact O-CB 3.29Å; F300-H304 WeakPolarHBondContact O-CB 3.32Å; F300-H304 PolarHBondContact O-N 3.05Å; F300-D321 VanDerWaalsContact CE1-OD1 3.27Å; F300-D321 WeakPolarHBondContact CE1-OD1 3.43Å; F300-P322 HydrophobicContact CD1-CG 3.87Å; F300-P322 HydrophobicContact CE1-CG 3.83Å; F300-P322 HydrophobicContact CG-CG 4.3Å; F300-P322 HydrophobicContact CZ-CG 4.19Å; F300-K323 HydrophobicContact CE1-CB 4.27Å; F300-K323 HydrophobicContact CZ-CB 4.34Å; F300-L387 HydrophobicContact CB-CD2 3.91Å; F300-L387 WeakPolarHBondContact O-CD2 3.4Å; F300-R390 HydrophobicContact CD1-CB 4.47Å; F300-R390 HydrophobicContact CE1-CB 4.38Å; F300-R390 HydrophobicContact CZ-CB 4.46Å; F300-I391 HydrophobicContact CD2-CG1 3.75Å; F300-I391 HydrophobicContact CE2-CG1 3.89Å
301S75.5Confident77.3Confident42 Ų4223.9 Ų23.929%0.29414%0.138SC..Hα-helixtrans-72.5-35.2175.862.70000112.8L297 T298 G299 H304 L305L297-S301 PolarHBondContact O-N 3.38Å; L297-S301 PolarHBondContact O-OG 3.3Å; T298-S301 WeakPolarHBondContact CA-OG 3.23Å; T298-S301 PolarHBondContact O-N 3.24Å; T298-S301 VanDerWaalsContact O-N 3.13Å; T298-S301 PolarHBondContact O-OG 3.32Å; G299-S301 PolarHBondContact O-N 3.07Å; S301-H304 WeakPolarHBondContact O-CB 3.35Å; S301-H304 PolarHBondContact O-N 2.86Å; S301-L305 WeakPolarHBondContact O-CB 3.46Å; S301-L305 PolarHBondContact O-N 3.41Å
302D76.1Confident77.2Confident27 Ų2722.4 Ų22.414%0.14413%0.13CC..Hα-helixtrans-79.8-43-171.5-66.110.9000109.5T298 G299 H304 L305 V306 W1343T298-D302 WeakPolarHBondContact O-CB 3.11Å; T298-D302 PolarHBondContact O-N 3.42Å; G299-D302 PolarHBondContact O-N 2.94Å; D302-H304 PolarHBondContact O-N 3.26Å; D302-L305 PolarHBondContact O-N 3.37Å; D302-V306 WeakPolarHBondContact O-CG2 3.29Å; D302-V306 PolarHBondContact O-N 3.22Å; D302-W1343 HydrophobicContact CB-CZ2 3.91Å; D302-W1343 PolarHBondContact OD1-NE1 3.1Å; D302-W1343 PolarHBondContact OD2-NE1 3.37Å
303S73.9Confident76.9Confident5 Ų525.8 Ų25.84%0.03514%0.143CC..Hα-helixtrans-59-34.3166.7-48.10000111.8G299 L307 P319G299-S303 PolarHBondContact O-N 3.24Å; G299-S303 PolarHBondContact O-OG 3.46Å; G299-S303 VanDerWaalsContact O-OG 3.06Å; S303-L307 WeakPolarHBondContact O-CB 3.43Å; S303-L307 WeakPolarHBondContact O-CD1 3.45Å; S303-L307 WeakPolarHBondContact O-CG 3.46Å; S303-L307 PolarHBondContact O-N 3.11Å; S303-L307 VanDerWaalsContact O-N 3.09Å; S303-P319 PolarHBondContact OG-O 3Å
304H73Confident76.4Confident31 Ų3129 Ų2914%0.14416%0.159CC..Hα-helixtrans-71-39.3176.8-171.2-54.3000112.3F300 S301 D302 L307 E308 T383 T386 L387F300-H304 VanDerWaalsContact O-CB 3.29Å; F300-H304 WeakPolarHBondContact O-CB 3.32Å; F300-H304 PolarHBondContact O-N 3.05Å; S301-H304 WeakPolarHBondContact O-CB 3.35Å; S301-H304 PolarHBondContact O-N 2.86Å; D302-H304 PolarHBondContact O-N 3.26Å; H304-L307 PolarHBondContact O-N 3.41Å; H304-E308 VanDerWaalsContact CE1-CD 3.4Å; H304-E308 IonicContact CE1-OE1 3.42Å; H304-E308 IonicContact CE1-OE2 3Å; H304-E308 PolarHBondContact CE1-OE2 3.02Å; H304-E308 IonicContact ND1-OE2 3.37Å; H304-E308 PolarHBondContact ND1-OE2 3.38Å; H304-E308 PolarHBondContact O-N 3.11Å; H304-T383 VanDerWaalsContact CE1-CG2 3.47Å; H304-T383 WeakPolarHBondContact CE1-CG2 3.39Å; H304-T383 PolarHBondContact CE1-OG1 2.99Å; H304-T383 WeakPolarHBondContact NE2-CB 3.5Å; H304-T383 PolarHBondContact NE2-OG1 3.37Å; H304-T386 PolarHBondContact NE2-OG1 2.89Å; H304-L387 HydrophobicContact CB-CD2 4.39Å
305L77.3Confident76.1Confident15 Ų1527.3 Ų27.38%0.07915%0.147CC..Hα-helixtrans-65.8-43.6177.6-166.273.1000111.1S301 D302 L307 E308 S309 L312 E1340 W1343S301-L305 WeakPolarHBondContact O-CB 3.46Å; S301-L305 PolarHBondContact O-N 3.41Å; D302-L305 PolarHBondContact O-N 3.37Å; L305-L307 VanDerWaalsContact C-N 3.33Å; L305-L307 PolarHBondContact O-N 3.01Å; L305-E308 PolarHBondContact O-N 2.86Å; L305-S309 WeakPolarHBondContact O-CB 3.29Å; L305-S309 PolarHBondContact O-N 3.04Å; L305-L312 HydrophobicContact CB-CD1 4.45Å; L305-L312 HydrophobicContact CD2-CD1 3.87Å; L305-L312 HydrophobicContact CG-CD1 3.7Å; L305-E1340 HydrophobicContact CD1-CG 3.97Å; L305-E1340 HydrophobicContact CD2-CG 4.42Å; L305-E1340 HydrophobicContact CG-CG 4.25Å; L305-W1343 HydrophobicContact CD2-CB 4.03Å; L305-W1343 HydrophobicContact CD2-CD2 3.94Å; L305-W1343 HydrophobicContact CD2-CE3 4.31Å; L305-W1343 HydrophobicContact CD2-CG 3.77Å
306V74.5Confident75.7Confident1 Ų127.4 Ų27.41%0.00615%0.148CC..Hα-helixtrans-67.4-30.9175.81770000112.2D302 L312 R313 L318 W1343D302-V306 WeakPolarHBondContact O-CG2 3.29Å; D302-V306 PolarHBondContact O-N 3.22Å; V306-L312 HydrophobicContact CB-CB 4.47Å; V306-L312 HydrophobicContact CG2-CB 4.22Å; V306-L312 HydrophobicContact CG2-CD1 4.47Å; V306-R313 WeakPolarHBondContact O-CB 3.4Å; V306-L318 HydrophobicContact CB-CD1 4.21Å; V306-L318 HydrophobicContact CG1-CD1 3.93Å; V306-W1343 HydrophobicContact CG2-CH2 3.64Å; V306-W1343 HydrophobicContact CG2-CZ2 4.36Å; V306-W1343 HydrophobicContact CG2-CZ3 3.99Å
307L71.9Confident75.1Confident51 Ų5138.2 Ų38.227%0.26719%0.189SC..Hα-helixtrans-73.9-41.9174.9-75.6169000112.9S303 H304 L305 R313 L318S303-L307 WeakPolarHBondContact O-CB 3.43Å; S303-L307 WeakPolarHBondContact O-CD1 3.45Å; S303-L307 WeakPolarHBondContact O-CG 3.46Å; S303-L307 PolarHBondContact O-N 3.11Å; S303-L307 VanDerWaalsContact O-N 3.09Å; H304-L307 PolarHBondContact O-N 3.41Å; L305-L307 VanDerWaalsContact C-N 3.33Å; L305-L307 PolarHBondContact O-N 3.01Å; L307-R313 PolarHBondContact O-NE 3.3Å; L307-R313 PolarHBondContact O-NH2 3.48Å; L307-L318 HydrophobicContact CD2-CD1 4.22Å; L307-L318 HydrophobicContact CG-CD1 4.01Å
308E70.9Confident74.5Confident30 Ų3039 Ų3914%0.1419%0.193CC..Hα-helixtrans-72.5-41.1179.2-75.1-165121.100113.1H304 L305 H1258 L1259H304-E308 VanDerWaalsContact CE1-CD 3.4Å; H304-E308 IonicContact CE1-OE1 3.42Å; H304-E308 IonicContact CE1-OE2 3Å; H304-E308 PolarHBondContact CE1-OE2 3.02Å; H304-E308 IonicContact ND1-OE2 3.37Å; H304-E308 PolarHBondContact ND1-OE2 3.38Å; H304-E308 PolarHBondContact O-N 3.11Å; L305-E308 PolarHBondContact O-N 2.86Å; E308-H1258 PolarHBondContact O-CD2 3.07Å; E308-H1258 PolarHBondContact O-NE2 3.4Å; E308-L1259 WeakPolarHBondContact O-CA 3.42Å
309S74.4Confident74Confident1 Ų139.2 Ų39.21%0.00720%0.195CC..  trans-85.8116.4-176.9-177.60000112.6L305 F311 L312 R313 H1258 E1340L305-S309 WeakPolarHBondContact O-CB 3.29Å; L305-S309 PolarHBondContact O-N 3.04Å; S309-F311 PolarHBondContact O-N 3.26Å; S309-F311 PolarHBondContact OG-N 3.41Å; S309-L312 PolarHBondContact O-N 3.32Å; S309-L312 PolarHBondContact OG-N 2.99Å; S309-R313 WeakPolarHBondContact O-CB 3.4Å; S309-R313 PolarHBondContact O-N 2.99Å; S309-H1258 WeakPolarHBondContact CA-NE2 3.38Å; S309-E1340 WeakPolarHBondContact CB-OE2 3.31Å; S309-E1340 PolarHBondContact OG-OE2 3.45Å
310S77.4Confident73.6Confident13 Ų1344.7 Ų44.79%0.09122%0.221CC..Hα-helixtrans-58.1-36.9171.153.20000112.8R313 D314 H1258 G1261S310-R313 PolarHBondContact O-N 3.44Å; S310-D314 PolarHBondContact O-N 3.02Å; S310-H1258 WeakPolarHBondContact CB-O 3.33Å; S310-H1258 PolarHBondContact N-O 3.38Å; S310-H1258 PolarHBondContact OG-O 3.24Å; S310-G1261 WeakPolarHBondContact OG-CA 3.02Å; S310-G1261 PolarHBondContact OG-N 3.17Å
311F79.7Confident73.3Confident17 Ų1746.7 Ų46.78%0.07523%0.232CC..Hα-helixtrans-63.1-42.9178.2164.4-105.4000112.4S309 L315 Y1341 F1344 F1381 R1384S309-F311 PolarHBondContact O-N 3.26Å; S309-F311 PolarHBondContact OG-N 3.41Å; F311-L315 HydrophobicContact CD2-CD1 3.7Å; F311-L315 HydrophobicContact CE2-CD1 3.24Å; F311-L315 HydrophobicContact CZ-CD1 3.75Å; F311-L315 WeakPolarHBondContact O-CG 3.28Å; F311-Y1341 HydrophobicContact CD1-CE1 4.16Å; F311-Y1341 HydrophobicContact CE1-CD1 4.02Å; F311-Y1341 AromaticContact CE1-CE1 3.99Å; F311-Y1341 HydrophobicContact CE1-CE1 3.99Å; F311-F1344 HydrophobicContact CE1-CD2 4.17Å; F311-F1344 HydrophobicContact CE1-CE2 4.45Å; F311-F1344 HydrophobicContact CE1-CG 4.21Å; F311-F1344 HydrophobicContact CZ-CD1 4.35Å; F311-F1344 HydrophobicContact CZ-CD2 4.34Å; F311-F1344 HydrophobicContact CZ-CE1 4.26Å; F311-F1344 HydrophobicContact CZ-CE2 4.23Å; F311-F1344 HydrophobicContact CZ-CG 4.37Å; F311-F1344 HydrophobicContact CZ-CZ 4.17Å; F311-F1381 HydrophobicContact CZ-CD2 4.02Å; F311-R1384 HydrophobicContact CD2-CG 3.72Å; F311-R1384 HydrophobicContact CE2-CG 3.65Å; F311-R1384 HydrophobicContact CG-CG 4.41Å; F311-R1384 HydrophobicContact CZ-CG 4.33Å
312L78.4Confident73.4Confident0 Ų044.9 Ų44.90%022%0.219CC..Hα-helixtrans-73.4-37.3178.6-62.4-179000111.9L305 V306 S309 D314 L315 C316 E1340 W1343 F1344L305-L312 HydrophobicContact CB-CD1 4.45Å; L305-L312 HydrophobicContact CD2-CD1 3.87Å; L305-L312 HydrophobicContact CG-CD1 3.7Å; V306-L312 HydrophobicContact CB-CB 4.47Å; V306-L312 HydrophobicContact CG2-CB 4.22Å; V306-L312 HydrophobicContact CG2-CD1 4.47Å; S309-L312 PolarHBondContact O-N 3.32Å; S309-L312 PolarHBondContact OG-N 2.99Å; L312-D314 VanDerWaalsContact C-N 3.3Å; L312-D314 PolarHBondContact O-N 3.48Å; L312-L315 PolarHBondContact O-N 3.4Å; L312-C316 VanDerWaalsContact O-CB 3.32Å; L312-C316 WeakPolarHBondContact O-CB 3.5Å; L312-C316 PolarHBondContact O-N 3.01Å; L312-E1340 HydrophobicContact CD1-CB 4.32Å; L312-E1340 HydrophobicContact CD1-CG 4.16Å; L312-W1343 HydrophobicContact CD1-CE3 3.98Å; L312-W1343 HydrophobicContact CD1-CZ3 4.13Å; L312-W1343 HydrophobicContact CD2-CE3 4.05Å; L312-W1343 HydrophobicContact CD2-CZ3 4.06Å; L312-F1344 HydrophobicContact CD2-CB 3.98Å; L312-F1344 HydrophobicContact CD2-CD2 3.65Å; L312-F1344 HydrophobicContact CD2-CG 4.22Å
313R76.9Confident73.5Confident71 Ų7146.7 Ų46.727%0.26823%0.226SC..Hα-helixtrans-64.4-32.8-178.7-150.5-171.8-48.9109.62.2113.5V306 L307 S309 S310 Y1209 L1259V306-R313 WeakPolarHBondContact O-CB 3.4Å; L307-R313 PolarHBondContact O-NE 3.3Å; L307-R313 PolarHBondContact O-NH2 3.48Å; S309-R313 WeakPolarHBondContact O-CB 3.4Å; S309-R313 PolarHBondContact O-N 2.99Å; S310-R313 PolarHBondContact O-N 3.44Å; R313-Y1209 PolarHBondContact NH2-OH 3.04Å; R313-L1259 PolarHBondContact NH2-O 2.67Å; R313-L1259 VanDerWaalsContact NH2-O 3.11Å
314D73Confident73.7Confident89 Ų8951.6 Ų51.648%0.47625%0.248SC..Hα-helixtrans-79.4-18.8180-69.88000112.6S310 L312 N1263S310-D314 PolarHBondContact O-N 3.02Å; L312-D314 VanDerWaalsContact C-N 3.3Å; L312-D314 PolarHBondContact O-N 3.48Å; D314-N1263 PolarHBondContact OD2-ND2 2.93Å
315L74.1Confident73.9Confident32 Ų3251 Ų5117%0.16825%0.245CC..Hα-helixtrans-118-26.5-171.3-63.1175.7000114.9F311 L312 F1344 K1377 S1380F311-L315 HydrophobicContact CD2-CD1 3.7Å; F311-L315 HydrophobicContact CE2-CD1 3.24Å; F311-L315 HydrophobicContact CZ-CD1 3.75Å; F311-L315 WeakPolarHBondContact O-CG 3.28Å; L312-L315 PolarHBondContact O-N 3.4Å; L315-F1344 HydrophobicContact CB-CE2 3.85Å; L315-F1344 HydrophobicContact CB-CZ 4.33Å; L315-F1344 HydrophobicContact CD1-CE2 3.93Å; L315-F1344 HydrophobicContact CD1-CZ 3.87Å; L315-K1377 WeakPolarHBondContact O-CE 3.46Å; L315-K1377 PolarHBondContact O-NZ 3.12Å; L315-S1380 VanDerWaalsContact CD1-OG 3.25Å; L315-S1380 WeakPolarHBondContact CD1-OG 3.3Å; L315-S1380 WeakPolarHBondContact CD2-OG 3.35Å
316C72.2Confident74.1Confident17 Ų1750.3 Ų50.312%0.11524%0.242CC..SBendtrans-107.1140.6-179.7-66.40000110.5L312L312-C316 VanDerWaalsContact O-CB 3.32Å; L312-C316 WeakPolarHBondContact O-CB 3.5Å; L312-C316 PolarHBondContact O-N 3.01Å
317R69.2Low74.4Confident227 Ų22752.1 Ų52.186%0.85725%0.252SS*.PPolyproline II helixtrans-65.7141.3162.4-66-177.6-177.7174.11.6107.7P319R317-P319 WeakPolarHBondContact O-CD 3.4Å
318L67.2Low74.8Confident96 Ų9654.1 Ų54.150%0.50326%0.258SS..PPolyproline II helixtrans-61.5128.1175-171.569.9000108.6V306 L307 D320V306-L318 HydrophobicContact CB-CD1 4.21Å; V306-L318 HydrophobicContact CG1-CD1 3.93Å; L307-L318 HydrophobicContact CD2-CD1 4.22Å; L307-L318 HydrophobicContact CG-CD1 4.01Å; L318-D320 PolarHBondContact O-N 3.37Å
319P65.8Low75.1Confident43 Ų4352.7 Ų52.728%0.27925%0.252SS..PPolyproline II helixtrans-63.3134.9174.9-20.532.2000110.5S303 R317 D321S303-P319 PolarHBondContact OG-O 3Å; R317-P319 WeakPolarHBondContact O-CD 3.4Å; P319-D321 PolarHBondContact O-N 3.18Å
320D67.9Low75.3Confident129 Ų12952.8 Ų52.869%0.6925%0.252SS*.PPolyproline II helixtrans-49.8132174.9-65.4-44.4000110.5L318 P322 I325L318-D320 PolarHBondContact O-N 3.37Å; D320-P322 WeakPolarHBondContact O-CD 3.36Å; D320-I325 HydrophobicContact CB-CD1 3.87Å; D320-I325 HydrophobicContact CB-CG1 4.3Å
321D71Confident75.3Confident44 Ų4457.2 Ų57.224%0.23527%0.271CS..PPolyproline II helixtrans-67119.3-179.6-170.6-31.9000108.9F300 P319 K323 E324 I325 R390F300-D321 VanDerWaalsContact CE1-OD1 3.27Å; F300-D321 WeakPolarHBondContact CE1-OD1 3.43Å; P319-D321 PolarHBondContact O-N 3.18Å; D321-K323 PolarHBondContact O-N 3.3Å; D321-K323 WeakPolarHBondContact OD1-CB 3.22Å; D321-K323 PolarHBondContact OD1-N 3.49Å; D321-E324 HydrophobicContact CB-CB 4.38Å; D321-E324 WeakPolarHBondContact O-CB 3.34Å; D321-E324 PolarHBondContact O-N 2.78Å; D321-I325 PolarHBondContact O-N 3.03Å; D321-R390 IonicContact OD1-NH2 3.62Å; D321-R390 IonicContact OD2-CZ 3.11Å; D321-R390 IonicContact OD2-NH2 3.82Å; D321-R390 PolarHBondContact OD2-NH2 3.35Å
322P75.9Confident75Confident4 Ų458.4 Ų58.43%0.02628%0.277CS..Hα-helixtrans-59.8-23.1-179.524.5-34.5000112.4I296 F300 D320 I326I296-P322 HydrophobicContact CG1-CB 4.4Å; I296-P322 HydrophobicContact CG2-CG 4.4Å; F300-P322 HydrophobicContact CD1-CG 3.87Å; F300-P322 HydrophobicContact CE1-CG 3.83Å; F300-P322 HydrophobicContact CG-CG 4.3Å; F300-P322 HydrophobicContact CZ-CG 4.19Å; D320-P322 WeakPolarHBondContact O-CD 3.36Å; P322-I326 VanDerWaalsContact O-CB 3.25Å; P322-I326 WeakPolarHBondContact O-CB 3.43Å; P322-I326 WeakPolarHBondContact O-CD1 3.24Å; P322-I326 WeakPolarHBondContact O-CG1 3.21Å; P322-I326 PolarHBondContact O-N 3.4Å
323K78.6Confident74.7Confident64 Ų6458.6 Ų58.628%0.27828%0.278SS..Hα-helixtrans-62.6-41.8170.3-179.7-177.2173.5179.70111.9F300 D321 L327 D397F300-K323 HydrophobicContact CE1-CB 4.27Å; F300-K323 HydrophobicContact CZ-CB 4.34Å; D321-K323 PolarHBondContact O-N 3.3Å; D321-K323 WeakPolarHBondContact OD1-CB 3.22Å; D321-K323 PolarHBondContact OD1-N 3.49Å; K323-L327 HydrophobicContact CG-CD1 3.95Å; K323-L327 WeakPolarHBondContact O-CB 3.44Å; K323-L327 VanDerWaalsContact O-CG 3.28Å; K323-L327 WeakPolarHBondContact O-CG 3.3Å; K323-L327 PolarHBondContact O-N 3.13Å; K323-D397 WeakPolarHBondContact CE-OD2 3.42Å; K323-D397 IonicContact NZ-OD2 3.64Å; K323-D397 PolarHBondContact NZ-OD2 3.44Å
324E78.2Confident74.5Confident108 Ų10859.6 Ų59.651%0.50529%0.292SS..Hα-helixtrans-69.9-41.9-178.7-166-177.513900111D321 L327 K328D321-E324 HydrophobicContact CB-CB 4.38Å; D321-E324 WeakPolarHBondContact O-CB 3.34Å; D321-E324 PolarHBondContact O-N 2.78Å; E324-L327 PolarHBondContact O-N 2.82Å; E324-K328 HydrophobicContact CG-CD 4.41Å; E324-K328 WeakPolarHBondContact O-CG 3.48Å; E324-K328 PolarHBondContact O-N 2.91Å; E324-K328 WeakPolarHBondContact OE1-CE 3.35Å; E324-K328 IonicContact OE1-NZ 3.53Å; E324-K328 PolarHBondContact OE1-NZ 2.92Å
325I78Confident74.5Confident18 Ų1857.5 Ų57.59%0.09229%0.285CS..Hα-helixtrans-60.2-47.7174.2-54.5178.6000110.6G267 E269 D320 D321 L327 K328 L329G267-I325 WeakPolarHBondContact O-CD1 3.12Å; E269-I325 HydrophobicContact CB-CG2 4.16Å; E269-I325 HydrophobicContact CG-CG2 4.41Å; D320-I325 HydrophobicContact CB-CD1 3.87Å; D320-I325 HydrophobicContact CB-CG1 4.3Å; D321-I325 PolarHBondContact O-N 3.03Å; I325-L327 VanDerWaalsContact C-N 3.31Å; I325-L327 PolarHBondContact O-N 3.47Å; I325-K328 PolarHBondContact O-N 2.99Å; I325-L329 HydrophobicContact CG2-CD1 4.29Å; I325-L329 WeakPolarHBondContact O-CB 3.34Å; I325-L329 WeakPolarHBondContact O-CG 3.42Å; I325-L329 PolarHBondContact O-N 3.3Å
326I81.6Confident74.5Confident2 Ų264.4 Ų64.41%0.0131%0.314CS..Hα-helixtrans-62.2-36.9178.4-75.5168.5000111.8Y272 I296 P322 S330 L348 L398Y272-I326 HydrophobicContact CD1-CD1 4.41Å; Y272-I326 HydrophobicContact CD1-CG1 4.07Å; Y272-I326 HydrophobicContact CE1-CD1 4.06Å; Y272-I326 HydrophobicContact CE1-CG1 4.16Å; I296-I326 HydrophobicContact CD1-CD1 3.75Å; I296-I326 HydrophobicContact CG1-CD1 4.15Å; P322-I326 VanDerWaalsContact O-CB 3.25Å; P322-I326 WeakPolarHBondContact O-CB 3.43Å; P322-I326 WeakPolarHBondContact O-CD1 3.24Å; P322-I326 WeakPolarHBondContact O-CG1 3.21Å; P322-I326 PolarHBondContact O-N 3.4Å; I326-S330 PolarHBondContact O-N 3.16Å; I326-S330 VanDerWaalsContact O-N 3.13Å; I326-L348 HydrophobicContact CD1-CD2 4Å; I326-L398 HydrophobicContact CG2-CB 4.31Å; I326-L398 HydrophobicContact CG2-CD1 3.65Å; I326-L398 HydrophobicContact CG2-CD2 3.82Å; I326-L398 HydrophobicContact CG2-CG 4.13Å
327L80.5Confident74.7Confident39 Ų3966.4 Ų66.420%0.20432%0.321CS..Hα-helixtrans-73-43.9177.5-74.4171.9000112.2K323 E324 I325 L329 S330 E331 H401K323-L327 HydrophobicContact CG-CD1 3.95Å; K323-L327 WeakPolarHBondContact O-CB 3.44Å; K323-L327 VanDerWaalsContact O-CG 3.28Å; K323-L327 WeakPolarHBondContact O-CG 3.3Å; K323-L327 PolarHBondContact O-N 3.13Å; E324-L327 PolarHBondContact O-N 2.82Å; I325-L327 VanDerWaalsContact C-N 3.31Å; I325-L327 PolarHBondContact O-N 3.47Å; L327-L329 VanDerWaalsContact C-N 3.31Å; L327-L329 PolarHBondContact O-N 2.91Å; L327-S330 WeakPolarHBondContact CA-OG 3.48Å; L327-S330 WeakPolarHBondContact O-CA 3.3Å; L327-S330 PolarHBondContact O-N 2.84Å; L327-S330 PolarHBondContact O-OG 3.27Å; L327-E331 PolarHBondContact O-N 2.89Å; L327-E331 VanDerWaalsContact O-N 3.1Å; L327-H401 HydrophobicContact CD2-CB 4.08Å
328K79.7Confident75.3Confident92 Ų9255.9 Ų55.940%0.428%0.281SS..Hα-helixtrans-55.4-46.5171.8-74.2170.9179.3168.40111.3E324 I325 S330 E331 H332E324-K328 HydrophobicContact CG-CD 4.41Å; E324-K328 WeakPolarHBondContact O-CG 3.48Å; E324-K328 PolarHBondContact O-N 2.91Å; E324-K328 WeakPolarHBondContact OE1-CE 3.35Å; E324-K328 IonicContact OE1-NZ 3.53Å; E324-K328 PolarHBondContact OE1-NZ 2.92Å; I325-K328 PolarHBondContact O-N 2.99Å; K328-S330 VanDerWaalsContact C-N 3.26Å; K328-S330 PolarHBondContact O-N 2.95Å; K328-E331 PolarHBondContact O-N 3.44Å; K328-E331 VanDerWaalsContact O-N 3.08Å; K328-H332 PolarHBondContact O-N 3.4Å; K328-H332 PolarHBondContact O-ND1 3.17Å
329L78.1Confident76Confident1 Ų156.7 Ų56.71%0.00528%0.283CS..Hα-helixtrans-56.9-37.7173.2-75.6174.4000112.9E269 T273 I325 L327 E331 C333 M345E269-L329 HydrophobicContact CG-CD1 4.39Å; E269-L329 HydrophobicContact CG-CD2 3.5Å; E269-L329 HydrophobicContact CG-CG 3.91Å; T273-L329 WeakPolarHBondContact OG1-CD2 3.31Å; I325-L329 HydrophobicContact CG2-CD1 4.29Å; I325-L329 WeakPolarHBondContact O-CB 3.34Å; I325-L329 WeakPolarHBondContact O-CG 3.42Å; I325-L329 PolarHBondContact O-N 3.3Å; L327-L329 VanDerWaalsContact C-N 3.31Å; L327-L329 PolarHBondContact O-N 2.91Å; L329-E331 VanDerWaalsContact C-N 3.31Å; L329-E331 PolarHBondContact O-N 2.65Å; L329-C333 PolarHBondContact O-N 3.39Å; L329-C333 PolarHBondContact O-SG 2.97Å; L329-M345 HydrophobicContact CB-CE 4.11Å
330S78.1Confident76.7Confident2 Ų256.9 Ų56.91%0.01428%0.279CS..Hα-helixtrans-73.6-20.2178.466.30000114.2I326 L327 K328 H401I326-S330 PolarHBondContact O-N 3.16Å; I326-S330 VanDerWaalsContact O-N 3.13Å; L327-S330 WeakPolarHBondContact CA-OG 3.48Å; L327-S330 WeakPolarHBondContact O-CA 3.3Å; L327-S330 PolarHBondContact O-N 2.84Å; L327-S330 PolarHBondContact O-OG 3.27Å; K328-S330 VanDerWaalsContact C-N 3.26Å; K328-S330 PolarHBondContact O-N 2.95Å; S330-H401 PolarHBondContact OG-CD2 3.43Å; S330-H401 VanDerWaalsContact OG-CG 3.29Å
331E77.1Confident77.5Confident106 Ų10650.8 Ų50.850%0.49525%0.247SC..Hα-helixtrans-75.5-40174.6-70.4177.5162.300111.3L327 K328 L329 C333 H401L327-E331 PolarHBondContact O-N 2.89Å; L327-E331 VanDerWaalsContact O-N 3.1Å; K328-E331 PolarHBondContact O-N 3.44Å; K328-E331 VanDerWaalsContact O-N 3.08Å; L329-E331 VanDerWaalsContact C-N 3.31Å; L329-E331 PolarHBondContact O-N 2.65Å; E331-C333 VanDerWaalsContact C-N 3.33Å; E331-C333 PolarHBondContact O-N 3.14Å; E331-H401 WeakPolarHBondContact CG-CE1 3.37Å; E331-H401 VanDerWaalsContact CG-NE2 3.26Å; E331-H401 WeakPolarHBondContact CG-NE2 3.48Å; E331-H401 IonicContact OE1-CE1 3.47Å; E331-H401 PolarHBondContact OE1-CE1 3.19Å
332H73.9Confident78.2Confident42 Ų4249.3 Ų49.319%0.19424%0.239CC..Hα-helixtrans-69.7-24.2175.7-50.2133.7000113.7E230 E269 K328 T334E230-H332 IonicContact OE1-CD2 2.63Å; E230-H332 IonicContact OE2-CD2 2.69Å; E269-H332 IonicContact OE1-CE1 3Å; E269-H332 PolarHBondContact OE1-CE1 3.17Å; E269-H332 IonicContact OE1-ND1 2.72Å; K328-H332 PolarHBondContact O-N 3.4Å; K328-H332 PolarHBondContact O-ND1 3.17Å; H332-T334 PolarHBondContact O-N 3.18Å
333C72.7Confident78.7Confident4 Ų452.9 Ų52.93%0.02726%0.256CS..THydrogen-bonded Turntrans-75.732-170.3-77.10000115.8L329 E331 W338 V342 C406L329-C333 PolarHBondContact O-N 3.39Å; L329-C333 PolarHBondContact O-SG 2.97Å; E331-C333 VanDerWaalsContact C-N 3.33Å; E331-C333 PolarHBondContact O-N 3.14Å; C333-W338 HydrophobicContact CB-CB 4.08Å; C333-W338 HydrophobicContact CB-CG 4.46Å; C333-W338 VanDerWaalsContact SG-CE3 3.53Å; C333-V342 HydrophobicContact CB-CG2 3.76Å; C333-C406 PolarHBondContact O-SG 3.5Å; C333-C406 VanDerWaalsContact O-SG 3.37Å
334T71Confident79Confident92 Ų9249.9 Ų49.956%0.56424%0.242SC*.THydrogen-bonded Turntrans-82.4-25.7-176.757.90000114.5H332H332-T334 PolarHBondContact O-N 3.18Å
335S74.3Confident79.4Confident46 Ų4644.9 Ų44.932%0.32222%0.219SC..SBendtrans-88.4156-173.61150000113Q337 W338S335-Q337 PolarHBondContact O-N 3.09Å; S335-Q337 WeakPolarHBondContact OG-CB 3.4Å; S335-Q337 PolarHBondContact OG-N 3.2Å; S335-Q337 VanDerWaalsContact OG-N 3.17Å; S335-W338 PolarHBondContact O-N 2.98Å
336K74.1Confident79.9Confident177 Ų17744.1 Ų44.177%0.7722%0.215SC*.G310 helixtrans-58.1-17.9176.4-111.4-173.4176.3-175.20114.5W338K336-W338 PolarHBondContact O-N 3.36Å
337Q76.1Confident80.3Confident58 Ų5846.1 Ų46.127%0.27123%0.226SC..G310 helixtrans-73.4-8.6175.6-62.4162-1500112.6A231 M238 S335A231-Q337 PolarHBondContact O-OE1 3.12Å; M238-Q337 HydrophobicContact CG-CB 4.02Å; M238-Q337 WeakPolarHBondContact CG-O 3.38Å; M238-Q337 VanDerWaalsContact SD-O 3.33Å; S335-Q337 PolarHBondContact O-N 3.09Å; S335-Q337 WeakPolarHBondContact OG-CB 3.4Å; S335-Q337 PolarHBondContact OG-N 3.2Å; S335-Q337 VanDerWaalsContact OG-N 3.17Å
338W81.1Confident80.6Confident6 Ų644.2 Ų44.22%0.02322%0.216CC..G310 helixtrans-106.17.5-179.4-62.889.1000113.3R233 T273 C333 S335 K336 F340 T341 V342R233-W338 HydrophobicContact CB-CH2 3.89Å; R233-W338 HydrophobicContact CB-CZ2 3.78Å; T273-W338 HydrophobicContact CG2-CH2 4.35Å; T273-W338 HydrophobicContact CG2-CZ3 3.64Å; C333-W338 HydrophobicContact CB-CB 4.08Å; C333-W338 HydrophobicContact CB-CG 4.46Å; C333-W338 VanDerWaalsContact SG-CE3 3.53Å; S335-W338 PolarHBondContact O-N 2.98Å; K336-W338 PolarHBondContact O-N 3.36Å; W338-F340 VanDerWaalsContact C-N 3.34Å; W338-F340 PolarHBondContact O-N 2.93Å; W338-T341 HydrophobicContact CE3-CG2 4Å; W338-T341 HydrophobicContact CZ3-CG2 4.37Å; W338-T341 CarbonylContact O-C 3.45Å; W338-T341 WeakPolarHBondContact O-CA 3.5Å; W338-T341 VanDerWaalsContact O-CB 3.31Å; W338-T341 WeakPolarHBondContact O-CB 3.28Å; W338-T341 PolarHBondContact O-N 3.06Å; W338-V342 WeakPolarHBondContact O-CG2 3.14Å; W338-V342 PolarHBondContact O-N 3.12Å
339E81.5Confident80.9Confident113 Ų11339.9 Ų39.953%0.52820%0.197SC..Hα-helixtrans-53-45.2-173.7-169.5175.3144.500113.2V342 Q343E339-V342 PolarHBondContact O-N 3.41Å; E339-Q343 PolarHBondContact O-N 3.31Å
340F82.4Confident81.4Confident47 Ų4740 Ų4021%0.20620%0.198CC..Hα-helixtrans-72-31.9177.5-51.8-55.9000112.9M238 F241 P280 W338 G344M238-F340 HydrophobicContact CE-CD2 4.4Å; M238-F340 HydrophobicContact CE-CE2 3.73Å; M238-F340 HydrophobicContact SD-CD2 3.6Å; M238-F340 HydrophobicContact SD-CE2 3.55Å; M238-F340 VanDerWaalsContact SD-CE2 3.55Å; F241-F340 HydrophobicContact CB-CD2 3.91Å; F241-F340 HydrophobicContact CB-CG 4.46Å; F241-F340 HydrophobicContact CD1-CB 4.29Å; F241-F340 AromaticContact CD1-CD1 3.85Å; F241-F340 HydrophobicContact CD1-CD1 3.85Å; F241-F340 AromaticContact CD1-CD2 3.24Å; F241-F340 HydrophobicContact CD1-CD2 3.24Å; F241-F340 AromaticContact CD1-CE1 3.97Å; F241-F340 HydrophobicContact CD1-CE1 3.97Å; F241-F340 AromaticContact CD1-CE2 3.36Å; F241-F340 HydrophobicContact CD1-CE2 3.36Å; F241-F340 AromaticContact CD1-CG 3.5Å; F241-F340 HydrophobicContact CD1-CG 3.5Å; F241-F340 AromaticContact CD1-CZ 3.74Å; F241-F340 HydrophobicContact CD1-CZ 3.74Å; F241-F340 HydrophobicContact CD2-CB 4Å; F241-F340 HydrophobicContact CD2-CD2 4.35Å; F241-F340 HydrophobicContact CD2-CG 4.09Å; F241-F340 HydrophobicContact CE1-CB 4.44Å; F241-F340 AromaticContact CE1-CD1 3.44Å; F241-F340 HydrophobicContact CE1-CD1 3.44Å; F241-F340 VanDerWaalsContact CE1-CD1 3.44Å; F241-F340 AromaticContact CE1-CD2 3.77Å; F241-F340 HydrophobicContact CE1-CD2 3.77Å; F241-F340 AromaticContact CE1-CE1 3.5Å; F241-F340 HydrophobicContact CE1-CE1 3.5Å; F241-F340 VanDerWaalsContact CE1-CE1 3.5Å; F241-F340 AromaticContact CE1-CE2 3.8Å; F241-F340 HydrophobicContact CE1-CE2 3.8Å; F241-F340 AromaticContact CE1-CG 3.6Å; F241-F340 HydrophobicContact CE1-CG 3.6Å; F241-F340 AromaticContact CE1-CZ 3.68Å; F241-F340 HydrophobicContact CE1-CZ 3.68Å; F241-F340 HydrophobicContact CE2-CB 4.16Å; F241-F340 HydrophobicContact CE2-CD1 4.36Å; F241-F340 HydrophobicContact CE2-CG 4.18Å; F241-F340 HydrophobicContact CG-CB 4.05Å; F241-F340 HydrophobicContact CG-CD1 4.44Å; F241-F340 AromaticContact CG-CD2 3.56Å; F241-F340 HydrophobicContact CG-CD2 3.56Å; F241-F340 HydrophobicContact CG-CE2 4.13Å; F241-F340 AromaticContact CG-CG 3.75Å; F241-F340 HydrophobicContact CG-CG 3.75Å; F241-F340 HydrophobicContact CZ-CB 4.38Å; F241-F340 AromaticContact CZ-CD1 3.73Å; F241-F340 HydrophobicContact CZ-CD1 3.73Å; F241-F340 HydrophobicContact CZ-CE1 4.15Å; F241-F340 AromaticContact CZ-CG 3.94Å; F241-F340 HydrophobicContact CZ-CG 3.94Å; P280-F340 WeakPolarHBondContact CG-O 3.27Å; W338-F340 VanDerWaalsContact C-N 3.34Å; W338-F340 PolarHBondContact O-N 2.93Å; F340-G344 PolarHBondContact O-N 2.82Å
341T83.8Confident81.8Confident2 Ų241.1 Ų41.11%0.01220%0.204CC..Hα-helixtrans-65-47.3173-36.80000110.4T273 M276 T277 W338 Q343 G344 M345T273-T341 HydrophobicContact CG2-CG2 4.16Å; M276-T341 HydrophobicContact CB-CG2 3.83Å; M276-T341 HydrophobicContact CG-CG2 4.47Å; T277-T341 HydrophobicContact CG2-CG2 4.01Å; T277-T341 WeakPolarHBondContact CG2-OG1 3.19Å; W338-T341 HydrophobicContact CE3-CG2 4Å; W338-T341 HydrophobicContact CZ3-CG2 4.37Å; W338-T341 CarbonylContact O-C 3.45Å; W338-T341 WeakPolarHBondContact O-CA 3.5Å; W338-T341 VanDerWaalsContact O-CB 3.31Å; W338-T341 WeakPolarHBondContact O-CB 3.28Å; W338-T341 PolarHBondContact O-N 3.06Å; T341-Q343 PolarHBondContact O-N 3.48Å; T341-G344 CarbonylContact O-C 3.5Å; T341-G344 WeakPolarHBondContact O-CA 3.39Å; T341-G344 PolarHBondContact O-N 3.46Å; T341-G344 VanDerWaalsContact O-N 3.13Å; T341-M345 HydrophobicContact CG2-SD 4.01Å; T341-M345 VanDerWaalsContact O-CG 3.24Å; T341-M345 WeakPolarHBondContact O-CG 3.35Å; T341-M345 PolarHBondContact O-N 3.24Å
342V85.9Confident82.1Confident13 Ų1336.2 Ų36.28%0.07918%0.182CC..Hα-helixtrans-59.6-45.8176.6173.80000110.8C333 W338 E339 G344 M345 I346 I402 C406C333-V342 HydrophobicContact CB-CG2 3.76Å; W338-V342 WeakPolarHBondContact O-CG2 3.14Å; W338-V342 PolarHBondContact O-N 3.12Å; E339-V342 PolarHBondContact O-N 3.41Å; V342-G344 VanDerWaalsContact C-N 3.31Å; V342-G344 PolarHBondContact O-N 3.06Å; V342-M345 PolarHBondContact O-N 2.78Å; V342-M345 VanDerWaalsContact O-N 3.13Å; V342-I346 HydrophobicContact CG1-CD1 3.96Å; V342-I346 HydrophobicContact CG1-CG1 4.48Å; V342-I346 VanDerWaalsContact O-CG1 3.3Å; V342-I346 WeakPolarHBondContact O-CG1 3.45Å; V342-I346 PolarHBondContact O-N 2.83Å; V342-I402 HydrophobicContact CG1-CG2 3.86Å; V342-C406 HydrophobicContact CG1-CB 4.22Å
343Q86.6Confident82.6Confident79 Ų7934.3 Ų34.337%0.36917%0.172SC..Hα-helixtrans-60.3-40.4175.4-172.8169.354.100112.2P280 E339 T341 L347 E412P280-Q343 HydrophobicContact CB-CG 4.48Å; P280-Q343 HydrophobicContact CG-CB 4.1Å; P280-Q343 HydrophobicContact CG-CG 4.15Å; E339-Q343 PolarHBondContact O-N 3.31Å; T341-Q343 PolarHBondContact O-N 3.48Å; Q343-L347 WeakPolarHBondContact O-CB 3.44Å; Q343-L347 PolarHBondContact O-N 2.9Å; Q343-L347 VanDerWaalsContact O-N 3.1Å; Q343-E412 PolarHBondContact NE2-OE1 2.83Å
344G84.3Confident83.1Confident0 Ų038.7 Ų38.70%019%0.189CC..Hα-helixtrans-62.4-40.8172.800000113.5M276 L279 F340 T341 V342 L347 L348M276-G344 WeakPolarHBondContact O-CA 3.46Å; L279-G344 VanDerWaalsContact CD2-O 3.28Å; L279-G344 WeakPolarHBondContact CD2-O 3.5Å; F340-G344 PolarHBondContact O-N 2.82Å; T341-G344 CarbonylContact O-C 3.5Å; T341-G344 WeakPolarHBondContact O-CA 3.39Å; T341-G344 PolarHBondContact O-N 3.46Å; T341-G344 VanDerWaalsContact O-N 3.13Å; V342-G344 VanDerWaalsContact C-N 3.31Å; V342-G344 PolarHBondContact O-N 3.06Å; G344-L347 PolarHBondContact O-N 2.97Å; G344-L348 PolarHBondContact O-N 2.85Å
345M87.6Confident83.5Confident3 Ų336 Ų362%0.01518%0.176CC..Hα-helixtrans-71.7-33.6179.5-67168.674.300112.6M276 L329 T341 V342 L348 G349 L398 I402M276-M345 HydrophobicContact CB-CG 4.15Å; M276-M345 HydrophobicContact CG-CG 3.62Å; M276-M345 HydrophobicContact CG-SD 4.48Å; M276-M345 HydrophobicContact SD-CG 4Å; L329-M345 HydrophobicContact CB-CE 4.11Å; T341-M345 HydrophobicContact CG2-SD 4.01Å; T341-M345 VanDerWaalsContact O-CG 3.24Å; T341-M345 WeakPolarHBondContact O-CG 3.35Å; T341-M345 PolarHBondContact O-N 3.24Å; V342-M345 PolarHBondContact O-N 2.78Å; V342-M345 VanDerWaalsContact O-N 3.13Å; M345-L348 PolarHBondContact O-N 3.23Å; M345-G349 PolarHBondContact O-N 2.87Å; M345-L398 HydrophobicContact CB-CD1 4.41Å; M345-L398 HydrophobicContact CE-CD1 3.78Å; M345-L398 WeakPolarHBondContact O-CD2 3.41Å; M345-I402 HydrophobicContact CB-CD1 3.74Å
346I88.1Confident83.4Confident2 Ų234.4 Ų34.41%0.0117%0.165CC..Hα-helixtrans-62.5-48.3170.1-66.4163.2000110V342 L348 G349 F350 L399 I402 S409 I413 I416V342-I346 HydrophobicContact CG1-CD1 3.96Å; V342-I346 HydrophobicContact CG1-CG1 4.48Å; V342-I346 VanDerWaalsContact O-CG1 3.3Å; V342-I346 WeakPolarHBondContact O-CG1 3.45Å; V342-I346 PolarHBondContact O-N 2.83Å; I346-L348 VanDerWaalsContact C-N 3.33Å; I346-L348 PolarHBondContact O-N 3.18Å; I346-G349 PolarHBondContact O-N 3.44Å; I346-F350 HydrophobicContact CG2-CD2 3.88Å; I346-F350 HydrophobicContact CG2-CE2 3.81Å; I346-F350 VanDerWaalsContact O-CD2 3.31Å; I346-F350 WeakPolarHBondContact O-CD2 3.47Å; I346-F350 PolarHBondContact O-N 2.9Å; I346-F350 VanDerWaalsContact O-N 3.11Å; I346-L399 HydrophobicContact CG2-CD2 4.31Å; I346-I402 HydrophobicContact CD1-CG2 4.29Å; I346-I402 HydrophobicContact CG1-CD1 4.07Å; I346-I402 HydrophobicContact CG1-CG2 4.02Å; I346-S409 VanDerWaalsContact CD1-CB 3.45Å; I346-I413 HydrophobicContact CD1-CD1 4.39Å; I346-I413 HydrophobicContact CD1-CG1 4.21Å; I346-I413 HydrophobicContact CG1-CD1 4.33Å; I346-I413 HydrophobicContact CG1-CG1 4.21Å; I346-I413 HydrophobicContact CG2-CG1 4.22Å; I346-I416 HydrophobicContact CG2-CD1 3.88Å
347L89.1Confident83.1Confident44 Ų4427 Ų2723%0.2314%0.135CC..Hα-helixtrans-61.1-40.7176.617564.4000112L279 Q285 Q343 G344 T351L279-L347 HydrophobicContact CB-CD2 4.07Å; L279-L347 HydrophobicContact CD2-CB 4.27Å; L279-L347 HydrophobicContact CD2-CD2 3.92Å; L279-L347 HydrophobicContact CD2-CG 4.03Å; L279-L347 HydrophobicContact CG-CD2 3.79Å; L279-L347 HydrophobicContact CG-CG 4.44Å; Q285-L347 HydrophobicContact CG-CD2 3.95Å; Q285-L347 VanDerWaalsContact NE2-CD2 3.26Å; Q343-L347 WeakPolarHBondContact O-CB 3.44Å; Q343-L347 PolarHBondContact O-N 2.9Å; Q343-L347 VanDerWaalsContact O-N 3.1Å; G344-L347 PolarHBondContact O-N 2.97Å; L347-T351 WeakPolarHBondContact O-CB 3.41Å; L347-T351 PolarHBondContact O-N 3.28Å; L347-T351 PolarHBondContact O-OG1 3.28Å
348L87.4Confident82.4Confident0 Ų028.8 Ų28.80%015%0.154CC..Hα-helixtrans-60.1-52.2172.7-178.575.3000110.8M276 L279 L292 I296 I326 G344 M345 I346 F350 T351 L352 L398M276-L348 HydrophobicContact CE-CD2 3.66Å; M276-L348 HydrophobicContact SD-CB 4.24Å; M276-L348 HydrophobicContact SD-CD2 3.92Å; L279-L348 HydrophobicContact CD2-CB 4.23Å; L292-L348 HydrophobicContact CB-CD1 4Å; L292-L348 HydrophobicContact CD1-CD1 4.1Å; I296-L348 HydrophobicContact CD1-CD1 3.91Å; I296-L348 HydrophobicContact CD1-CD2 4.06Å; I296-L348 HydrophobicContact CD1-CG 4.46Å; I326-L348 HydrophobicContact CD1-CD2 4Å; G344-L348 PolarHBondContact O-N 2.85Å; M345-L348 PolarHBondContact O-N 3.23Å; I346-L348 VanDerWaalsContact C-N 3.33Å; I346-L348 PolarHBondContact O-N 3.18Å; L348-F350 PolarHBondContact O-N 3.43Å; L348-T351 CarbonylContact O-C 3.56Å; L348-T351 WeakPolarHBondContact O-CA 3.37Å; L348-T351 WeakPolarHBondContact O-CB 3.17Å; L348-T351 PolarHBondContact O-N 3.23Å; L348-L352 HydrophobicContact CD1-CG 4.4Å; L348-L352 HydrophobicContact CD2-CD1 4.23Å; L348-L352 HydrophobicContact CG-CD1 4.01Å; L348-L352 HydrophobicContact CG-CG 4.2Å; L348-L352 WeakPolarHBondContact O-CG 3.48Å; L348-L352 PolarHBondContact O-N 3.46Å; L348-L398 HydrophobicContact CD2-CD2 3.99Å
349G85.6Confident81Confident0 Ų032 Ų320%018%0.178CC..Hα-helixtrans-52.6-53.8-177.800000111.9M345 I346 T351 L352 L353M345-G349 PolarHBondContact O-N 2.87Å; I346-G349 PolarHBondContact O-N 3.44Å; G349-T351 VanDerWaalsContact C-N 3.26Å; G349-T351 PolarHBondContact O-N 3.26Å; G349-L352 PolarHBondContact O-N 3.37Å; G349-L353 WeakPolarHBondContact O-CG 3.44Å; G349-L353 PolarHBondContact O-N 3Å
350F89Confident79.2Confident5 Ų530.6 Ų30.62%0.02218%0.18CC..Hα-helixtrans-64.9-27.5176.2-73.4-68.2000113.3I346 L348 L353 R354 L399 I413 I416 I417 L420 L436I346-F350 HydrophobicContact CG2-CD2 3.88Å; I346-F350 HydrophobicContact CG2-CE2 3.81Å; I346-F350 VanDerWaalsContact O-CD2 3.31Å; I346-F350 WeakPolarHBondContact O-CD2 3.47Å; I346-F350 PolarHBondContact O-N 2.9Å; I346-F350 VanDerWaalsContact O-N 3.11Å; L348-F350 PolarHBondContact O-N 3.43Å; F350-L353 HydrophobicContact CD1-CD1 4.08Å; F350-R354 WeakPolarHBondContact O-CG 3.45Å; F350-R354 PolarHBondContact O-N 3.06Å; F350-R354 VanDerWaalsContact O-N 3.11Å; F350-L399 HydrophobicContact CD1-CD1 4.02Å; F350-L399 HydrophobicContact CD2-CD1 4.17Å; F350-L399 HydrophobicContact CD2-CD2 4.08Å; F350-L399 HydrophobicContact CE1-CD1 3.97Å; F350-L399 HydrophobicContact CE2-CD1 4.12Å; F350-L399 HydrophobicContact CE2-CD2 3.89Å; F350-L399 HydrophobicContact CG-CD1 4.12Å; F350-L399 HydrophobicContact CZ-CD1 4.02Å; F350-L399 HydrophobicContact CZ-CD2 4.42Å; F350-I413 HydrophobicContact CZ-CG2 4.34Å; F350-I416 HydrophobicContact CD1-CG2 3.87Å; F350-I416 HydrophobicContact CD2-CB 4.31Å; F350-I416 HydrophobicContact CD2-CD1 4.07Å; F350-I416 HydrophobicContact CD2-CG2 3.63Å; F350-I416 HydrophobicContact CE1-CB 4.47Å; F350-I416 HydrophobicContact CE1-CG2 3.77Å; F350-I416 HydrophobicContact CE2-CB 3.76Å; F350-I416 HydrophobicContact CE2-CD1 3.85Å; F350-I416 HydrophobicContact CE2-CG1 4.43Å; F350-I416 HydrophobicContact CE2-CG2 3.51Å; F350-I416 HydrophobicContact CG-CG2 3.81Å; F350-I416 HydrophobicContact CZ-CB 3.86Å; F350-I416 HydrophobicContact CZ-CG2 3.6Å; F350-I417 HydrophobicContact CE1-CG1 4.04Å; F350-I417 HydrophobicContact CZ-CG1 3.95Å; F350-L420 HydrophobicContact CD1-CD1 3.49Å; F350-L420 VanDerWaalsContact CD1-CD1 3.49Å; F350-L420 HydrophobicContact CE1-CD1 3.74Å; F350-L420 HydrophobicContact CG-CD1 4.43Å; F350-L436 HydrophobicContact CE1-CD2 4.02Å; F350-L436 HydrophobicContact CZ-CD2 4.16Å
351T85.2Confident76.8Confident25 Ų2534.6 Ų34.615%0.15321%0.209CC..Hα-helixtrans-73.6-36.5173.5-54.60000112.5T289 T293 L347 L348 G349 L353 R354 A355T289-T351 HydrophobicContact CG2-CG2 3.53Å; T293-T351 HydrophobicContact CG2-CG2 3.85Å; L347-T351 WeakPolarHBondContact O-CB 3.41Å; L347-T351 PolarHBondContact O-N 3.28Å; L347-T351 PolarHBondContact O-OG1 3.28Å; L348-T351 CarbonylContact O-C 3.56Å; L348-T351 WeakPolarHBondContact O-CA 3.37Å; L348-T351 WeakPolarHBondContact O-CB 3.17Å; L348-T351 PolarHBondContact O-N 3.23Å; G349-T351 VanDerWaalsContact C-N 3.26Å; G349-T351 PolarHBondContact O-N 3.26Å; T351-L353 VanDerWaalsContact C-N 3.29Å; T351-L353 PolarHBondContact O-N 2.89Å; T351-R354 CarbonylContact O-C 3.48Å; T351-R354 WeakPolarHBondContact O-CB 3.47Å; T351-R354 PolarHBondContact O-N 3.47Å; T351-R354 VanDerWaalsContact O-N 3.1Å; T351-A355 WeakPolarHBondContact O-CB 3.4Å; T351-A355 PolarHBondContact O-N 3.29Å
352L85.3Confident74.1Confident3 Ų338.2 Ų38.22%0.01625%0.246CC..Hα-helixtrans-62.2-39.1173.6-66.1171.5000110.8T293 I296 L348 G349 A355 A356 I391T293-L352 HydrophobicContact CG2-CD2 4.35Å; I296-L352 HydrophobicContact CD1-CD1 4.49Å; I296-L352 HydrophobicContact CD1-CD2 4.06Å; I296-L352 HydrophobicContact CG2-CD2 4.21Å; L348-L352 HydrophobicContact CD1-CG 4.4Å; L348-L352 HydrophobicContact CD2-CD1 4.23Å; L348-L352 HydrophobicContact CG-CD1 4.01Å; L348-L352 HydrophobicContact CG-CG 4.2Å; L348-L352 WeakPolarHBondContact O-CG 3.48Å; L348-L352 PolarHBondContact O-N 3.46Å; G349-L352 PolarHBondContact O-N 3.37Å; L352-A355 PolarHBondContact O-N 3.45Å; L352-A356 PolarHBondContact O-N 3.38Å; L352-A356 VanDerWaalsContact O-N 3.11Å; L352-I391 HydrophobicContact CB-CG2 4.16Å; L352-I391 HydrophobicContact CD2-CG2 4.11Å
353L82.5Confident71.3Confident1 Ų142.9 Ų42.91%0.00528%0.28CS..Hα-helixtrans-59.9-45.2170.3-55.1-176.9000111.6G349 F350 T351 A355 A356 C357 L392 L396 L399G349-L353 WeakPolarHBondContact O-CG 3.44Å; G349-L353 PolarHBondContact O-N 3Å; F350-L353 HydrophobicContact CD1-CD1 4.08Å; T351-L353 VanDerWaalsContact C-N 3.29Å; T351-L353 PolarHBondContact O-N 2.89Å; L353-A355 PolarHBondContact O-N 3.34Å; L353-A356 PolarHBondContact O-N 2.8Å; L353-C357 PolarHBondContact O-N 3.36Å; L353-C357 PolarHBondContact O-SG 3.22Å; L353-C357 VanDerWaalsContact O-SG 3.4Å; L353-L392 HydrophobicContact CD2-CD1 3.66Å; L353-L396 HydrophobicContact CD1-CD2 4.45Å; L353-L396 HydrophobicContact CD2-CD2 3.91Å; L353-L396 HydrophobicContact CD2-CG 3.93Å; L353-L399 HydrophobicContact CD1-CD1 4.14Å
354R84.7Confident68.6Low97 Ų9745.3 Ų45.337%0.36630%0.3SS..Hα-helixtrans-61.8-40.4175.3-61.5-125.916970.1-13.1112.7F350 T351 C357 S358 E424 I429F350-R354 WeakPolarHBondContact O-CG 3.45Å; F350-R354 PolarHBondContact O-N 3.06Å; F350-R354 VanDerWaalsContact O-N 3.11Å; T351-R354 CarbonylContact O-C 3.48Å; T351-R354 WeakPolarHBondContact O-CB 3.47Å; T351-R354 PolarHBondContact O-N 3.47Å; T351-R354 VanDerWaalsContact O-N 3.1Å; R354-C357 PolarHBondContact O-N 3.01Å; R354-S358 PolarHBondContact O-N 2.94Å; R354-S358 PolarHBondContact O-OG 3.39Å; R354-E424 IonicContact CZ-OE1 3.32Å; R354-E424 IonicContact NE-OE1 3.11Å; R354-E424 PolarHBondContact NE-OE1 3.31Å; R354-E424 IonicContact NH2-OE1 3.16Å; R354-E424 PolarHBondContact NH2-OE1 3.32Å; R354-E424 VanDerWaalsContact NH2-OE1 3.11Å; R354-I429 HydrophobicContact CG-CD1 3.6Å; R354-I429 VanDerWaalsContact NE-CD1 3.35Å
355A78.3Confident66Low36 Ų3652.5 Ų52.530%0.29834%0.337SS..Hα-helixtrans-64-41.1-178.800000111.3T351 L352 L353 C357 S358T351-A355 WeakPolarHBondContact O-CB 3.4Å; T351-A355 PolarHBondContact O-N 3.29Å; L352-A355 PolarHBondContact O-N 3.45Å; L353-A355 PolarHBondContact O-N 3.34Å; A355-C357 VanDerWaalsContact C-N 3.33Å; A355-C357 PolarHBondContact O-N 3.07Å; A355-S358 PolarHBondContact O-N 2.69Å
356A72.3Confident63Low11 Ų1159.5 Ų59.59%0.09137%0.374CS..Hα-helixtrans-58.5-41.4175.100000112.7L352 L353 S358 L392 Y432L352-A356 PolarHBondContact O-N 3.38Å; L352-A356 VanDerWaalsContact O-N 3.11Å; L353-A356 PolarHBondContact O-N 2.8Å; A356-S358 PolarHBondContact O-N 2.67Å; A356-L392 HydrophobicContact CB-CB 4.33Å; A356-L392 HydrophobicContact CB-CD1 4.27Å; A356-Y432 HydrophobicContact CB-CE2 4.5Å
357C67.9Low60.2Low21 Ų2169.5 Ų69.514%0.14242%0.418CS..Hα-helixtrans-66.8-31.3177.9-61.40000114.3L353 R354 A355 S359 S360 S428 I429 Y432L353-C357 PolarHBondContact O-N 3.36Å; L353-C357 PolarHBondContact O-SG 3.22Å; L353-C357 VanDerWaalsContact O-SG 3.4Å; R354-C357 PolarHBondContact O-N 3.01Å; A355-C357 VanDerWaalsContact C-N 3.33Å; A355-C357 PolarHBondContact O-N 3.07Å; C357-S359 PolarHBondContact O-N 2.91Å; C357-S360 PolarHBondContact O-OG 3.3Å; C357-S428 PolarHBondContact SG-OG 3.23Å; C357-I429 PolarHBondContact SG-N 2.67Å; C357-I429 VanDerWaalsContact SG-N 3.44Å; C357-Y432 VanDerWaalsContact SG-CE2 3.55Å
358S62Low57.1Low97 Ų9773.5 Ų73.568%0.67845%0.449SS*.THydrogen-bonded Turntrans-75.624.7-155.8-66.50000116.5R354 A355 A356R354-S358 PolarHBondContact O-N 2.94Å; R354-S358 PolarHBondContact O-OG 3.39Å; A355-S358 PolarHBondContact O-N 2.69Å; A356-S358 PolarHBondContact O-N 2.67Å
359S51.6Low54.1Low74 Ų7478.7 Ų78.752%0.51749%0.486SS..THydrogen-bonded Turntrans-146.414.3-173.256.30000115.9C357 K388C357-S359 PolarHBondContact O-N 2.91Å; S359-K388 VanDerWaalsContact OG-CE 3.25Å; S359-K388 WeakPolarHBondContact OG-CE 3.48Å; S359-K388 PolarHBondContact OG-NZ 3.41Å
360S44.2Very low51.2Low82 Ų8280.9 Ų80.957%0.57351%0.508SS*.SBendtrans-105.1-21.5-179.454.60000115C357C357-S360 PolarHBondContact O-OG 3.3Å
361T31.3Very low48.2Very low132 Ų13291.3 Ų91.381%0.8155%0.547SS*.  trans-109.286.8-167.453.70000112.6
362G28.2Very low45.4Very low77 Ų7797.3 Ų97.379%0.79458%0.578SS**SBendtrans-157.4-10.2-174.500000121
363S27Very low42.5Very low112 Ų112101.1 Ų101.178%0.78361%0.605SS**SBendtrans-165.6-17.8178.354.40000119.4
364T29Very low40Very low130 Ų130111.1 Ų111.180%0.79865%0.648SS**  trans-117.125.6-16048.30000116.9
365I28.9Very low37.3Very low151 Ų151111.6 Ų111.677%0.77467%0.666SS**SBendtrans-100.7139.7165-59.3177.3000108.2
366N26.3Very low35Very low150 Ų150115.5 Ų115.580%0.80268%0.682SS**SBendtrans65.974.1-179.1-60.6-18.7000117.1
367K27.8Very low33.3Very low212 Ų212117.9 Ų117.992%0.92270%0.697SS**  trans-153.6104.7142-114.2158.7-167168.40112.5S369K367-S369 PolarHBondContact O-N 2.9Å
368S25Very low32.1Very low127 Ų127121 Ų12189%0.88872%0.716SS**  trans-76.5105.8177.251.60000112
369S24.7Very low31.5Very low110 Ų110117.3 Ų117.377%0.76969%0.69SS**  trans-165.7148.8149.6-164.50000110.5K367K367-S369 PolarHBondContact O-N 2.9Å
370G24.8Very low31.7Very low45 Ų45113.8 Ų113.846%0.46467%0.665SS.*  trans-77.4124-173.800000113.7
371R25.2Very low32.4Very low224 Ų224110.9 Ų110.985%0.84564%0.642SS**  trans-156.3108.8151.1-107.3170-158-160.63.3109.9S373R371-S373 PolarHBondContact O-N 3Å
372L26.4Very low33.6Very low152 Ų152109.7 Ų109.780%0.79663%0.628SS**  trans-7467.1171.7-76.7165.9000110.3
373S25.4Very low34.6Very low83 Ų83107.9 Ų107.958%0.5860%0.601SS**  trans-149.751.417869.20000110.9R371 S375R371-S373 PolarHBondContact O-N 3Å; S373-S375 PolarHBondContact O-N 2.89Å
374K29.7Very low35.4Very low210 Ų210108.3 Ų108.391%0.91359%0.591SS**  trans-56.1119.4150.6-83.6-175.3174.9179.10105.5L376K374-L376 PolarHBondContact O-N 3.11Å; K374-L376 VanDerWaalsContact O-N 3.13Å
375S27Very low36.5Very low107 Ų107108.5 Ų108.575%0.74859%0.587SS**  trans-55.2121.2-176.5490000109.4S373 S377S373-S375 PolarHBondContact O-N 2.89Å; S375-S377 PolarHBondContact O-N 3.15Å
376L31.2Very low38Very low119 Ų119104.5 Ų104.562%0.62357%0.569SS**  trans-55.2114.4168.7-158.975.4000106.3K374 T378 Q1248K374-L376 PolarHBondContact O-N 3.11Å; K374-L376 VanDerWaalsContact O-N 3.13Å; L376-T378 PolarHBondContact O-N 3.01Å; L376-T378 VanDerWaalsContact O-N 3.09Å; L376-Q1248 HydrophobicContact CD2-CG 4.31Å; L376-Q1248 VanDerWaalsContact CD2-NE2 3.33Å
377S35.6Very low39.7Very low60 Ų6099 Ų9942%0.4254%0.54SS..  trans-56.9118.6-166.448.60000110.1S375 S379 Q382S375-S377 PolarHBondContact O-N 3.15Å; S377-S379 PolarHBondContact O-N 3.3Å; S377-Q382 VanDerWaalsContact CB-OE1 3.23Å
378T42Very low41.6Very low88 Ų8892.9 Ų92.954%0.5451%0.513SS..SBendtrans-73.74.5-169.948.40000114.1L376 L1329L376-T378 PolarHBondContact O-N 3.01Å; L376-T378 VanDerWaalsContact O-N 3.09Å; T378-L1329 WeakPolarHBondContact O-CD2 3.43Å
379S50.3Low43.5Very low18 Ų1890 Ų9013%0.12649%0.493CS..  trans-97128.7175.154.60000111.5S377 F381 Q382 S1332S377-S379 PolarHBondContact O-N 3.3Å; S379-F381 PolarHBondContact O-N 3.28Å; S379-Q382 WeakPolarHBondContact OG-CG 3.43Å; S379-S1332 VanDerWaalsContact CA-OG 3.24Å; S379-S1332 WeakPolarHBondContact CA-OG 3.33Å; S379-S1332 VanDerWaalsContact CB-OG 3.22Å; S379-S1332 WeakPolarHBondContact CB-OG 3.45Å
380P54.8Low45.6Very low1 Ų188 Ų881%0.00647%0.469CS..THydrogen-bonded Turntrans-63.9-16.6173.8-14.924.6000114.3R1189 N1251 I1254 W1255P380-R1189 PolarHBondContact O-NH2 3.44Å; P380-N1251 WeakPolarHBondContact CA-OD1 3.39Å; P380-N1251 VanDerWaalsContact CB-OD1 3.26Å; P380-N1251 WeakPolarHBondContact CB-OD1 3.32Å; P380-N1251 VanDerWaalsContact CG-OD1 3.26Å; P380-N1251 WeakPolarHBondContact CG-OD1 3.35Å; P380-I1254 HydrophobicContact CG-CG2 4.21Å; P380-W1255 HydrophobicContact CB-CB 4.11Å; P380-W1255 VanDerWaalsContact O-CD1 3.3Å
381F59.6Low48.1Very low20 Ų2086.4 Ų86.49%0.08845%0.449CS..THydrogen-bonded Turntrans-120.628.4-160.3-45.8-80.9000114.8S379 I1254 H1258 H1336S379-F381 PolarHBondContact O-N 3.28Å; F381-I1254 HydrophobicContact CZ-CG2 4.18Å; F381-H1258 HydrophobicContact CE1-CB 3.98Å; F381-H1258 AromaticContact CE1-CD2 3.64Å; F381-H1258 AromaticContact CE1-CG 3.66Å; F381-H1258 HydrophobicContact CZ-CB 4.49Å; F381-H1336 AromaticContact CD1-CD2 3.39Å; F381-H1336 WeakPolarHBondContact CD1-CD2 3.34Å; F381-H1336 AromaticContact CD1-NE2 3.47Å; F381-H1336 WeakPolarHBondContact CD1-NE2 3.39Å; F381-H1336 HydrophobicContact CD2-CB 3.77Å; F381-H1336 AromaticContact CD2-CD2 3.43Å; F381-H1336 VanDerWaalsContact CD2-CD2 3.43Å; F381-H1336 WeakPolarHBondContact CD2-CD2 3.31Å; F381-H1336 AromaticContact CD2-CG 3.64Å; F381-H1336 AromaticContact CE1-CD2 3.73Å; F381-H1336 HydrophobicContact CE2-CB 4Å; F381-H1336 AromaticContact CE2-CD2 3.76Å; F381-H1336 HydrophobicContact CG-CB 4.41Å; F381-H1336 AromaticContact CG-CD2 3.24Å; F381-H1336 WeakPolarHBondContact CG-CD2 3.46Å; F381-H1336 AromaticContact CG-CG 3.77Å; F381-H1336 AromaticContact CG-NE2 3.43Å; F381-H1336 WeakPolarHBondContact CG-NE2 3.46Å; F381-H1336 AromaticContact CZ-CD2 3.9Å
382Q56.1Low50.5Low107 Ų10777 Ų7750%0.542%0.416SS..  trans-93.6114.9-179.2-96.4-177.75.200113.1S377 S379S377-Q382 VanDerWaalsContact CB-OE1 3.23Å; S379-Q382 WeakPolarHBondContact OG-CG 3.43Å
383T50.1Low52.7Low40 Ų4072 Ų7225%0.24539%0.393CS..  trans-122.44.3-178.261.50000115.1H304 N385 T386H304-T383 VanDerWaalsContact CE1-CG2 3.47Å; H304-T383 WeakPolarHBondContact CE1-CG2 3.39Å; H304-T383 PolarHBondContact CE1-OG1 2.99Å; H304-T383 WeakPolarHBondContact NE2-CB 3.5Å; H304-T383 PolarHBondContact NE2-OG1 3.37Å; T383-N385 PolarHBondContact O-N 2.96Å; T383-T386 PolarHBondContact O-N 2.89Å; T383-T386 PolarHBondContact O-OG1 2.95Å; T383-T386 VanDerWaalsContact O-OG1 3.05Å
384H44.3Very low55.3Low120 Ų12068.1 Ų68.156%0.55637%0.366SS*.THydrogen-bonded Turntrans-40.9-18.7-166.2-65.9-58.1000119.8
385N50.3Low57.8Low135 Ų13558.1 Ų58.172%0.72232%0.323SS*.Hα-helixtrans-75.6-29.3173.3-67.21.7000113T383 S389T383-N385 PolarHBondContact O-N 2.96Å; N385-S389 PolarHBondContact O-N 2.71Å
386T60.5Low60.4Low66 Ų6653.9 Ų53.941%0.40529%0.292SS..Hα-helixtrans-67.8-48.2-176.358.60000112H304 T383 K388 S389 R390H304-T386 PolarHBondContact NE2-OG1 2.89Å; T383-T386 PolarHBondContact O-N 2.89Å; T383-T386 PolarHBondContact O-OG1 2.95Å; T383-T386 VanDerWaalsContact O-OG1 3.05Å; T386-K388 VanDerWaalsContact C-N 3.33Å; T386-K388 PolarHBondContact O-N 3.44Å; T386-S389 WeakPolarHBondContact O-CB 3.43Å; T386-S389 PolarHBondContact O-N 3.34Å; T386-S389 VanDerWaalsContact O-N 3.14Å; T386-R390 PolarHBondContact O-N 2.95Å
387L63.3Low62.8Low36 Ų3649.6 Ų49.619%0.18827%0.269CS..Hα-helixtrans-59.4-42.8-179.5-65.6173.4000111.7F300 H304 S389 R390 I391F300-L387 HydrophobicContact CB-CD2 3.91Å; F300-L387 WeakPolarHBondContact O-CD2 3.4Å; H304-L387 HydrophobicContact CB-CD2 4.39Å; L387-S389 VanDerWaalsContact C-N 3.32Å; L387-S389 PolarHBondContact O-N 3.1Å; L387-R390 PolarHBondContact O-N 3.42Å; L387-I391 VanDerWaalsContact O-CD1 3.24Å; L387-I391 WeakPolarHBondContact O-CD1 3.19Å; L387-I391 WeakPolarHBondContact O-CG1 3.49Å; L387-I391 PolarHBondContact O-N 3.07Å
388K66.5Low65.2Low82 Ų8246.8 Ų46.836%0.35725%0.249SC..Hα-helixtrans-58.6-42.4176-68.9-174.7175.8-169.50112.5S359 T386 L392S359-K388 VanDerWaalsContact OG-CE 3.25Å; S359-K388 WeakPolarHBondContact OG-CE 3.48Å; S359-K388 PolarHBondContact OG-NZ 3.41Å; T386-K388 VanDerWaalsContact C-N 3.33Å; T386-K388 PolarHBondContact O-N 3.44Å; K388-L392 WeakPolarHBondContact O-CB 3.33Å; K388-L392 PolarHBondContact O-N 3.13Å
389S65.8Low67.3Low66 Ų6642.6 Ų42.646%0.46222%0.224SC..Hα-helixtrans-66-44.8175.8-177.40000111.7N385 T386 L387 I391 L392 C393N385-S389 PolarHBondContact O-N 2.71Å; T386-S389 WeakPolarHBondContact O-CB 3.43Å; T386-S389 PolarHBondContact O-N 3.34Å; T386-S389 VanDerWaalsContact O-N 3.14Å; L387-S389 VanDerWaalsContact C-N 3.32Å; L387-S389 PolarHBondContact O-N 3.1Å; S389-I391 PolarHBondContact O-N 3.27Å; S389-L392 PolarHBondContact O-N 3.38Å; S389-C393 WeakPolarHBondContact O-CB 3.37Å; S389-C393 PolarHBondContact O-N 3.45Å; S389-C393 PolarHBondContact O-SG 3.28Å
390R69.4Low69Low69 Ų6942.7 Ų42.726%0.2622%0.223SC..Hα-helixtrans-58.1-44.7175.7-73.9-178.676.7-170.77112.4F300 D321 T386 L387 S394F300-R390 HydrophobicContact CD1-CB 4.47Å; F300-R390 HydrophobicContact CE1-CB 4.38Å; F300-R390 HydrophobicContact CZ-CB 4.46Å; D321-R390 IonicContact OD1-NH2 3.62Å; D321-R390 IonicContact OD2-CZ 3.11Å; D321-R390 IonicContact OD2-NH2 3.82Å; D321-R390 PolarHBondContact OD2-NH2 3.35Å; T386-R390 PolarHBondContact O-N 2.95Å; L387-R390 PolarHBondContact O-N 3.42Å; R390-S394 VanDerWaalsContact O-CB 3.25Å; R390-S394 WeakPolarHBondContact O-CB 3.47Å; R390-S394 PolarHBondContact O-N 3.05Å
391I77.2Confident70.4Confident11 Ų1143.9 Ų43.96%0.05623%0.228CC..Hα-helixtrans-61.8-47.5177.1-62.9154.1000111.1L297 F300 L352 L387 S389 S394 G395L297-I391 HydrophobicContact CD2-CD1 3.43Å; L297-I391 VanDerWaalsContact CD2-CD1 3.43Å; L297-I391 HydrophobicContact CD2-CG1 4.37Å; F300-I391 HydrophobicContact CD2-CG1 3.75Å; F300-I391 HydrophobicContact CE2-CG1 3.89Å; L352-I391 HydrophobicContact CB-CG2 4.16Å; L352-I391 HydrophobicContact CD2-CG2 4.11Å; L387-I391 VanDerWaalsContact O-CD1 3.24Å; L387-I391 WeakPolarHBondContact O-CD1 3.19Å; L387-I391 WeakPolarHBondContact O-CG1 3.49Å; L387-I391 PolarHBondContact O-N 3.07Å; S389-I391 PolarHBondContact O-N 3.27Å; I391-S394 PolarHBondContact O-N 3.01Å; I391-G395 PolarHBondContact O-N 2.91Å
392L74.3Confident71.7Confident26 Ų2643 Ų4314%0.13623%0.225CC..Hα-helixtrans-60.6-52.2179.5-177.671.1000111.1L353 A356 K388 S389 S394 G395 L396 Y432L353-L392 HydrophobicContact CD2-CD1 3.66Å; A356-L392 HydrophobicContact CB-CB 4.33Å; A356-L392 HydrophobicContact CB-CD1 4.27Å; K388-L392 WeakPolarHBondContact O-CB 3.33Å; K388-L392 PolarHBondContact O-N 3.13Å; S389-L392 PolarHBondContact O-N 3.38Å; L392-S394 VanDerWaalsContact C-N 3.33Å; L392-S394 PolarHBondContact O-N 2.88Å; L392-G395 PolarHBondContact O-N 3.41Å; L392-G395 VanDerWaalsContact O-N 3.15Å; L392-L396 HydrophobicContact CG-CD1 4.23Å; L392-L396 WeakPolarHBondContact O-CG 3.46Å; L392-L396 PolarHBondContact O-N 3.22Å; L392-Y432 HydrophobicContact CD1-CD1 3.84Å; L392-Y432 HydrophobicContact CD1-CD2 3.48Å; L392-Y432 VanDerWaalsContact CD1-CD2 3.48Å; L392-Y432 HydrophobicContact CD1-CE1 4.11Å; L392-Y432 HydrophobicContact CD1-CE2 3.75Å; L392-Y432 HydrophobicContact CD1-CG 3.53Å; L392-Y432 HydrophobicContact CD2-CD1 3.94Å; L392-Y432 HydrophobicContact CD2-CE1 3.65Å; L392-Y432 HydrophobicContact CD2-CE2 4.47Å; L392-Y432 HydrophobicContact CD2-CG 4.49Å
393C74Confident73.1Confident48 Ų4838 Ų3832%0.32420%0.201SC..Hα-helixtrans-61-41.4177.9-64.50000111.5S389 G395 L396 D397S389-C393 WeakPolarHBondContact O-CB 3.37Å; S389-C393 PolarHBondContact O-N 3.45Å; S389-C393 PolarHBondContact O-SG 3.28Å; C393-G395 VanDerWaalsContact C-N 3.29Å; C393-G395 PolarHBondContact O-N 3.47Å; C393-L396 PolarHBondContact O-N 3.22Å; C393-D397 VanDerWaalsContact O-CB 3.28Å; C393-D397 WeakPolarHBondContact O-CB 3.32Å; C393-D397 PolarHBondContact O-N 3.29Å
394S78.9Confident74.7Confident2 Ų239.6 Ų39.61%0.01421%0.205CC..Hα-helixtrans-62.4-33.9176-166.70000113R390 I391 L392 L398R390-S394 VanDerWaalsContact O-CB 3.25Å; R390-S394 WeakPolarHBondContact O-CB 3.47Å; R390-S394 PolarHBondContact O-N 3.05Å; I391-S394 PolarHBondContact O-N 3.01Å; L392-S394 VanDerWaalsContact C-N 3.33Å; L392-S394 PolarHBondContact O-N 2.88Å; S394-L398 WeakPolarHBondContact O-CB 3.18Å; S394-L398 PolarHBondContact O-N 2.98Å
395G82Confident76.5Confident0 Ų036.6 Ų36.60%019%0.191CC..Hα-helixtrans-72.5-40.1173.800000113.2I391 L392 C393 L399I391-G395 PolarHBondContact O-N 2.91Å; L392-G395 PolarHBondContact O-N 3.41Å; L392-G395 VanDerWaalsContact O-N 3.15Å; C393-G395 VanDerWaalsContact C-N 3.29Å; C393-G395 PolarHBondContact O-N 3.47Å; G395-L399 WeakPolarHBondContact O-CG 3.35Å; G395-L399 PolarHBondContact O-N 2.9Å
396L82.4Confident78Confident18 Ų1830.8 Ų30.89%0.09416%0.161CC..Hα-helixtrans-67.4-48176.3-68.8174.1000112.1L353 L392 C393 L398 L399 L400 L436L353-L396 HydrophobicContact CD1-CD2 4.45Å; L353-L396 HydrophobicContact CD2-CD2 3.91Å; L353-L396 HydrophobicContact CD2-CG 3.93Å; L392-L396 HydrophobicContact CG-CD1 4.23Å; L392-L396 WeakPolarHBondContact O-CG 3.46Å; L392-L396 PolarHBondContact O-N 3.22Å; C393-L396 PolarHBondContact O-N 3.22Å; L396-L398 PolarHBondContact O-N 3.21Å; L396-L399 PolarHBondContact O-N 3.09Å; L396-L400 WeakPolarHBondContact O-CB 3.37Å; L396-L400 PolarHBondContact O-N 3.42Å; L396-L436 HydrophobicContact CD2-CB 3.74Å; L396-L436 HydrophobicContact CD2-CD1 4.27Å; L396-L436 HydrophobicContact CD2-CG 4.49Å
397D81.4Confident79Confident29 Ų2931.4 Ų31.416%0.15517%0.165CC..Hα-helixtrans-63.7-40.8-178.7-67.5-22.7000111.1K323 C393 L400 H401K323-D397 WeakPolarHBondContact CE-OD2 3.42Å; K323-D397 IonicContact NZ-OD2 3.64Å; K323-D397 PolarHBondContact NZ-OD2 3.44Å; C393-D397 VanDerWaalsContact O-CB 3.28Å; C393-D397 WeakPolarHBondContact O-CB 3.32Å; C393-D397 PolarHBondContact O-N 3.29Å; D397-L400 PolarHBondContact O-N 3.21Å; D397-H401 VanDerWaalsContact O-CB 3.31Å; D397-H401 WeakPolarHBondContact O-CB 3.15Å; D397-H401 PolarHBondContact O-N 3.42Å
398L85.4Confident79.8Confident0 Ų033 Ų330%019%0.191CC..Hα-helixtrans-58.8-51173.417458.4000111.9I326 M345 L348 S394 L396 L400 H401 I402I326-L398 HydrophobicContact CG2-CB 4.31Å; I326-L398 HydrophobicContact CG2-CD1 3.65Å; I326-L398 HydrophobicContact CG2-CD2 3.82Å; I326-L398 HydrophobicContact CG2-CG 4.13Å; M345-L398 HydrophobicContact CB-CD1 4.41Å; M345-L398 HydrophobicContact CE-CD1 3.78Å; M345-L398 WeakPolarHBondContact O-CD2 3.41Å; L348-L398 HydrophobicContact CD2-CD2 3.99Å; S394-L398 WeakPolarHBondContact O-CB 3.18Å; S394-L398 PolarHBondContact O-N 2.98Å; L396-L398 PolarHBondContact O-N 3.21Å; L398-L400 VanDerWaalsContact C-N 3.32Å; L398-L400 PolarHBondContact O-N 3.35Å; L398-H401 PolarHBondContact O-N 3.04Å; L398-I402 HydrophobicContact CD1-CD1 3.69Å; L398-I402 HydrophobicContact CD1-CG1 4.06Å; L398-I402 HydrophobicContact CG-CD1 3.87Å; L398-I402 VanDerWaalsContact O-CG1 3.3Å; L398-I402 WeakPolarHBondContact O-CG1 3.46Å; L398-I402 PolarHBondContact O-N 2.95Å
399L87.7Confident80.6Confident0 Ų029.7 Ų29.70%018%0.178CC..Hα-helixtrans-67.1-33.9-178.6-70.1170000112.2I346 F350 L353 G395 L396 F403 L436I346-L399 HydrophobicContact CG2-CD2 4.31Å; F350-L399 HydrophobicContact CD1-CD1 4.02Å; F350-L399 HydrophobicContact CD2-CD1 4.17Å; F350-L399 HydrophobicContact CD2-CD2 4.08Å; F350-L399 HydrophobicContact CE1-CD1 3.97Å; F350-L399 HydrophobicContact CE2-CD1 4.12Å; F350-L399 HydrophobicContact CE2-CD2 3.89Å; F350-L399 HydrophobicContact CG-CD1 4.12Å; F350-L399 HydrophobicContact CZ-CD1 4.02Å; F350-L399 HydrophobicContact CZ-CD2 4.42Å; L353-L399 HydrophobicContact CD1-CD1 4.14Å; G395-L399 WeakPolarHBondContact O-CG 3.35Å; G395-L399 PolarHBondContact O-N 2.9Å; L396-L399 PolarHBondContact O-N 3.09Å; L399-F403 WeakPolarHBondContact O-CB 3.42Å; L399-F403 PolarHBondContact O-N 3.09Å; L399-L436 HydrophobicContact CB-CD1 3.87Å; L399-L436 HydrophobicContact CB-CD2 3.92Å; L399-L436 HydrophobicContact CD1-CD2 3.56Å; L399-L436 HydrophobicContact CG-CD2 4.35Å
400L85.3Confident81.6Confident21 Ų2128 Ų2811%0.1116%0.161CC..Hα-helixtrans-65.8-42.1172.3-171.170.6000111.7L396 D397 L398 F403 K404 N439 L440 L582L396-L400 WeakPolarHBondContact O-CB 3.37Å; L396-L400 PolarHBondContact O-N 3.42Å; D397-L400 PolarHBondContact O-N 3.21Å; L398-L400 VanDerWaalsContact C-N 3.32Å; L398-L400 PolarHBondContact O-N 3.35Å; L400-F403 PolarHBondContact O-N 3.33Å; L400-K404 PolarHBondContact O-N 2.65Å; L400-N439 HydrophobicContact CD1-CB 4.19Å; L400-L440 HydrophobicContact CD1-CD2 3.95Å; L400-L582 HydrophobicContact CD2-CD2 3.71Å
401H84.1Confident82.5Confident25 Ų2527.5 Ų27.512%0.11616%0.164CC..Hα-helixtrans-66.5-45.6178.4-161.4115.8000111.7L327 S330 E331 D397 L398 F403 K404 H405L327-H401 HydrophobicContact CD2-CB 4.08Å; S330-H401 PolarHBondContact OG-CD2 3.43Å; S330-H401 VanDerWaalsContact OG-CG 3.29Å; E331-H401 WeakPolarHBondContact CG-CE1 3.37Å; E331-H401 VanDerWaalsContact CG-NE2 3.26Å; E331-H401 WeakPolarHBondContact CG-NE2 3.48Å; E331-H401 IonicContact OE1-CE1 3.47Å; E331-H401 PolarHBondContact OE1-CE1 3.19Å; D397-H401 VanDerWaalsContact O-CB 3.31Å; D397-H401 WeakPolarHBondContact O-CB 3.15Å; D397-H401 PolarHBondContact O-N 3.42Å; L398-H401 PolarHBondContact O-N 3.04Å; H401-F403 PolarHBondContact O-N 3.16Å; H401-K404 WeakPolarHBondContact O-CB 3.32Å; H401-K404 PolarHBondContact O-N 2.77Å; H401-H405 AromaticContact CD2-CD2 3.35Å; H401-H405 PolarHBondContact CD2-CD2 3.19Å; H401-H405 AromaticContact CD2-NE2 3.92Å; H401-H405 AromaticContact CE1-NE2 3.78Å; H401-H405 AromaticContact NE2-CD2 3.2Å; H401-H405 PolarHBondContact NE2-CD2 2.91Å; H401-H405 AromaticContact NE2-CE1 3.96Å; H401-H405 AromaticContact NE2-CG 3.95Å; H401-H405 AromaticContact NE2-NE2 3.28Å; H401-H405 PolarHBondContact NE2-NE2 2.92Å; H401-H405 PolarHBondContact O-CD2 2.98Å; H401-H405 PolarHBondContact O-N 3.5Å
402I85.9Confident82.9Confident3 Ų330.3 Ų30.32%0.01518%0.177CC..Hα-helixtrans-59.3-46.8174.7-64.8164000110.3V342 M345 I346 L398 K404 H405 C406 I413V342-I402 HydrophobicContact CG1-CG2 3.86Å; M345-I402 HydrophobicContact CB-CD1 3.74Å; I346-I402 HydrophobicContact CD1-CG2 4.29Å; I346-I402 HydrophobicContact CG1-CD1 4.07Å; I346-I402 HydrophobicContact CG1-CG2 4.02Å; L398-I402 HydrophobicContact CD1-CD1 3.69Å; L398-I402 HydrophobicContact CD1-CG1 4.06Å; L398-I402 HydrophobicContact CG-CD1 3.87Å; L398-I402 VanDerWaalsContact O-CG1 3.3Å; L398-I402 WeakPolarHBondContact O-CG1 3.46Å; L398-I402 PolarHBondContact O-N 2.95Å; I402-K404 VanDerWaalsContact C-N 3.28Å; I402-K404 PolarHBondContact O-N 2.97Å; I402-H405 PolarHBondContact O-N 3.02Å; I402-C406 HydrophobicContact CG2-CB 4.02Å; I402-C406 WeakPolarHBondContact O-CA 3.16Å; I402-C406 VanDerWaalsContact O-CB 3.27Å; I402-C406 WeakPolarHBondContact O-CB 3.32Å; I402-C406 PolarHBondContact O-N 3.47Å; I402-I413 HydrophobicContact CB-CD1 4.48Å; I402-I413 HydrophobicContact CG2-CD1 3.97Å
403F85.9Confident83.6Confident0 Ų029 Ų290%017%0.17CC..Hα-helixtrans-62.7-34.9179.8-167.5-81.5000112.9L399 L400 H401 R410 I413 I414 L440 F444 E447 V448L399-F403 WeakPolarHBondContact O-CB 3.42Å; L399-F403 PolarHBondContact O-N 3.09Å; L400-F403 PolarHBondContact O-N 3.33Å; H401-F403 PolarHBondContact O-N 3.16Å; F403-R410 HydrophobicContact CD1-CG 4.11Å; F403-R410 HydrophobicContact CD2-CB 3.95Å; F403-R410 HydrophobicContact CD2-CG 3.72Å; F403-R410 HydrophobicContact CE1-CG 4.03Å; F403-R410 HydrophobicContact CE2-CB 3.51Å; F403-R410 HydrophobicContact CE2-CG 3.63Å; F403-R410 HydrophobicContact CG-CG 3.96Å; F403-R410 HydrophobicContact CZ-CB 3.89Å; F403-R410 HydrophobicContact CZ-CG 3.79Å; F403-R410 PolarHBondContact O-NE 2.93Å; F403-R410 PolarHBondContact O-NH2 3.49Å; F403-I413 HydrophobicContact CB-CD1 4.22Å; F403-I413 HydrophobicContact CD2-CB 4.39Å; F403-I413 HydrophobicContact CD2-CD1 4.21Å; F403-I413 HydrophobicContact CD2-CG2 4.23Å; F403-I414 HydrophobicContact CE2-CD1 3.86Å; F403-I414 HydrophobicContact CE2-CG1 4.09Å; F403-I414 HydrophobicContact CZ-CD1 4.14Å; F403-L440 HydrophobicContact CB-CD2 3.53Å; F403-L440 HydrophobicContact CD1-CD2 3.7Å; F403-L440 HydrophobicContact CD2-CD1 4.42Å; F403-L440 HydrophobicContact CD2-CD2 3.78Å; F403-L440 HydrophobicContact CE1-CD2 4.32Å; F403-L440 HydrophobicContact CE2-CD2 4.38Å; F403-L440 HydrophobicContact CG-CD2 3.4Å; F403-F444 HydrophobicContact CD1-CB 4.46Å; F403-F444 AromaticContact CD1-CD2 3.56Å; F403-F444 HydrophobicContact CD1-CD2 3.56Å; F403-F444 HydrophobicContact CD1-CE2 4.06Å; F403-F444 HydrophobicContact CD1-CG 4.15Å; F403-F444 HydrophobicContact CE1-CB 3.87Å; F403-F444 AromaticContact CE1-CD2 3.85Å; F403-F444 HydrophobicContact CE1-CD2 3.85Å; F403-F444 HydrophobicContact CE1-CG 4.04Å; F403-E447 HydrophobicContact CE1-CB 4.05Å; F403-E447 HydrophobicContact CZ-CB 4.18Å; F403-V448 HydrophobicContact CZ-CG2 4.05Å
404K84.8Confident84.3Confident75 Ų7526.8 Ų26.833%0.32616%0.155SC..Hα-helixtrans-60.8-59.6173176.7-176.5166.6-146.90111L400 H401 I402 R410 F444 F579L400-K404 PolarHBondContact O-N 2.65Å; H401-K404 WeakPolarHBondContact O-CB 3.32Å; H401-K404 PolarHBondContact O-N 2.77Å; I402-K404 VanDerWaalsContact C-N 3.28Å; I402-K404 PolarHBondContact O-N 2.97Å; K404-R410 PolarHBondContact O-NH2 3.35Å; K404-F444 HydrophobicContact CB-CE2 4.03Å; K404-F444 HydrophobicContact CB-CZ 3.54Å; K404-F444 HydrophobicContact CG-CE1 4.44Å; K404-F444 HydrophobicContact CG-CZ 3.78Å; K404-F579 HydrophobicContact CD-CZ 4.35Å
405H82Confident84.9Confident57 Ų5729 Ų2926%0.26417%0.168SC..Hα-helixtrans-88-28-166.7-72.2-102.9000114.7H401 I402 P407H401-H405 AromaticContact CD2-CD2 3.35Å; H401-H405 PolarHBondContact CD2-CD2 3.19Å; H401-H405 AromaticContact CD2-NE2 3.92Å; H401-H405 AromaticContact CE1-NE2 3.78Å; H401-H405 AromaticContact NE2-CD2 3.2Å; H401-H405 PolarHBondContact NE2-CD2 2.91Å; H401-H405 AromaticContact NE2-CE1 3.96Å; H401-H405 AromaticContact NE2-CG 3.95Å; H401-H405 AromaticContact NE2-NE2 3.28Å; H401-H405 PolarHBondContact NE2-NE2 2.92Å; H401-H405 PolarHBondContact O-CD2 2.98Å; H401-H405 PolarHBondContact O-N 3.5Å; I402-H405 PolarHBondContact O-N 3.02Å; H405-P407 WeakPolarHBondContact O-CD 3.32Å
406C82.1Confident85.2Confident13 Ų1331.1 Ų31.19%0.08818%0.179CC..  trans-107.393.6-176.5-61.60000111C333 V342 I402 G408 S409C333-C406 PolarHBondContact O-SG 3.5Å; C333-C406 VanDerWaalsContact O-SG 3.37Å; V342-C406 HydrophobicContact CG1-CB 4.22Å; I402-C406 HydrophobicContact CG2-CB 4.02Å; I402-C406 WeakPolarHBondContact O-CA 3.16Å; I402-C406 VanDerWaalsContact O-CB 3.27Å; I402-C406 WeakPolarHBondContact O-CB 3.32Å; I402-C406 PolarHBondContact O-N 3.47Å; C406-G408 VanDerWaalsContact C-N 3.33Å; C406-G408 PolarHBondContact O-N 2.89Å; C406-S409 WeakPolarHBondContact CB-OG 3.49Å; C406-S409 PolarHBondContact O-N 3.49Å; C406-S409 PolarHBondContact O-OG 3.23Å
407P80.7Confident85.5Confident78 Ų7830.2 Ų30.251%0.50618%0.175SC..G310 helixtrans-66.5-31.2-17725.3-34.1000113.6H405 S409 R410H405-P407 WeakPolarHBondContact O-CD 3.32Å; P407-S409 VanDerWaalsContact C-N 3.34Å; P407-S409 PolarHBondContact O-N 3.47Å; P407-R410 WeakPolarHBondContact O-CG 3.36Å; P407-R410 PolarHBondContact O-N 3.35Å
408G80.5Confident85.9Confident71 Ų7129.2 Ų29.273%0.73217%0.17SC*.G310 helixtrans-64.6-33.5-178.900000114.1C406C406-G408 VanDerWaalsContact C-N 3.33Å; C406-G408 PolarHBondContact O-N 2.89Å
409S82.8Confident86.1Confident11 Ų1133.8 Ų33.88%0.07720%0.195CC..G310 helixtrans-82.2-9-178.639.60000115.1I346 C406 P407 D411 E412 I413I346-S409 VanDerWaalsContact CD1-CB 3.45Å; C406-S409 WeakPolarHBondContact CB-OG 3.49Å; C406-S409 PolarHBondContact O-N 3.49Å; C406-S409 PolarHBondContact O-OG 3.23Å; P407-S409 VanDerWaalsContact C-N 3.34Å; P407-S409 PolarHBondContact O-N 3.47Å; S409-D411 PolarHBondContact O-N 3.29Å; S409-E412 PolarHBondContact O-N 3.23Å; S409-E412 VanDerWaalsContact O-N 3.1Å; S409-I413 WeakPolarHBondContact O-CG1 3.21Å; S409-I413 PolarHBondContact O-N 2.96Å
410R86.9Confident86Confident30 Ų3034 Ų3411%0.11320%0.196CC..Hα-helixtrans-57.6-36.6-177.2-66.1-177.8179.8153.84.4112.4F403 K404 P407 I414 E447F403-R410 HydrophobicContact CD1-CG 4.11Å; F403-R410 HydrophobicContact CD2-CB 3.95Å; F403-R410 HydrophobicContact CD2-CG 3.72Å; F403-R410 HydrophobicContact CE1-CG 4.03Å; F403-R410 HydrophobicContact CE2-CB 3.51Å; F403-R410 HydrophobicContact CE2-CG 3.63Å; F403-R410 HydrophobicContact CG-CG 3.96Å; F403-R410 HydrophobicContact CZ-CB 3.89Å; F403-R410 HydrophobicContact CZ-CG 3.79Å; F403-R410 PolarHBondContact O-NE 2.93Å; F403-R410 PolarHBondContact O-NH2 3.49Å; K404-R410 PolarHBondContact O-NH2 3.35Å; P407-R410 WeakPolarHBondContact O-CG 3.36Å; P407-R410 PolarHBondContact O-N 3.35Å; R410-I414 WeakPolarHBondContact O-CG1 3.47Å; R410-I414 PolarHBondContact O-N 3.19Å; R410-E447 WeakPolarHBondContact CD-OE2 3.22Å; R410-E447 IonicContact CZ-OE2 3.01Å; R410-E447 IonicContact NE-OE2 2.67Å; R410-E447 IonicContact NH1-OE1 2.76Å; R410-E447 PolarHBondContact NH1-OE1 2.84Å; R410-E447 IonicContact NH1-OE2 3.47Å; R410-E447 PolarHBondContact NH1-OE2 3.12Å
411D87.3Confident86Confident59 Ų5933 Ų3332%0.31619%0.19SC..Hα-helixtrans-61.7-50.5173.9-91.438.4000112.9S409 T415 R451 R454S409-D411 PolarHBondContact O-N 3.29Å; D411-T415 PolarHBondContact O-N 2.92Å; D411-T415 PolarHBondContact O-OG1 3.49Å; D411-R451 WeakPolarHBondContact OD1-CD 3.27Å; D411-R451 IonicContact OD1-CZ 3.57Å; D411-R451 IonicContact OD1-NE 2.72Å; D411-R451 PolarHBondContact OD1-NE 3.02Å; D411-R451 IonicContact OD1-NH2 2.74Å; D411-R454 VanDerWaalsContact C-NH1 3.33Å; D411-R454 PolarHBondContact O-NH1 3.02Å; D411-R454 IonicContact OD2-CZ 3.6Å; D411-R454 IonicContact OD2-NH1 2.79Å; D411-R454 PolarHBondContact OD2-NH1 3.06Å; D411-R454 IonicContact OD2-NH2 3.3Å; D411-R454 PolarHBondContact OD2-NH2 3.01Å
412E86.7Confident86Confident70 Ų7038.1 Ų38.133%0.32721%0.209SC..Hα-helixtrans-64.9-45.7-178.2-175.3175.2-151.400110.7Q343 S409 I414 T415 I416Q343-E412 PolarHBondContact NE2-OE1 2.83Å; S409-E412 PolarHBondContact O-N 3.23Å; S409-E412 VanDerWaalsContact O-N 3.1Å; E412-I414 PolarHBondContact O-N 3.24Å; E412-T415 PolarHBondContact O-N 3.18Å; E412-I416 HydrophobicContact CG-CD1 3.82Å; E412-I416 HydrophobicContact CG-CG1 4.47Å; E412-I416 VanDerWaalsContact O-CG1 3.31Å; E412-I416 WeakPolarHBondContact O-CG1 3.47Å; E412-I416 PolarHBondContact O-N 3.14Å
413I89.1Confident85.9Confident0 Ų042 Ų420%024%0.237CC..Hα-helixtrans-58.1-47.5178.4-67167.2000111.1I346 F350 I402 F403 S409 I416 I417 L440I346-I413 HydrophobicContact CD1-CD1 4.39Å; I346-I413 HydrophobicContact CD1-CG1 4.21Å; I346-I413 HydrophobicContact CG1-CD1 4.33Å; I346-I413 HydrophobicContact CG1-CG1 4.21Å; I346-I413 HydrophobicContact CG2-CG1 4.22Å; F350-I413 HydrophobicContact CZ-CG2 4.34Å; I402-I413 HydrophobicContact CB-CD1 4.48Å; I402-I413 HydrophobicContact CG2-CD1 3.97Å; F403-I413 HydrophobicContact CB-CD1 4.22Å; F403-I413 HydrophobicContact CD2-CB 4.39Å; F403-I413 HydrophobicContact CD2-CD1 4.21Å; F403-I413 HydrophobicContact CD2-CG2 4.23Å; S409-I413 WeakPolarHBondContact O-CG1 3.21Å; S409-I413 PolarHBondContact O-N 2.96Å; I413-I416 PolarHBondContact O-N 2.92Å; I413-I417 HydrophobicContact CG2-CD1 3.92Å; I413-I417 VanDerWaalsContact O-CG1 3.31Å; I413-I417 WeakPolarHBondContact O-CG1 3.34Å; I413-I417 PolarHBondContact O-N 3.36Å; I413-L440 HydrophobicContact CG2-CD1 4.22Å
414I89.2Confident85.6Confident0 Ų043.3 Ų43.30%024%0.242CC..Hα-helixtrans-67.9-37.9179.5-69.6172.1000111.5F403 R410 E412 I417 A418 V448 R451 R454F403-I414 HydrophobicContact CE2-CD1 3.86Å; F403-I414 HydrophobicContact CE2-CG1 4.09Å; F403-I414 HydrophobicContact CZ-CD1 4.14Å; R410-I414 WeakPolarHBondContact O-CG1 3.47Å; R410-I414 PolarHBondContact O-N 3.19Å; E412-I414 PolarHBondContact O-N 3.24Å; I414-I417 PolarHBondContact O-N 3.36Å; I414-A418 WeakPolarHBondContact O-CB 3.36Å; I414-A418 PolarHBondContact O-N 3.12Å; I414-V448 HydrophobicContact CD1-CG1 4.22Å; I414-V448 HydrophobicContact CD1-CG2 4.35Å; I414-R451 HydrophobicContact CD1-CB 3.72Å; I414-R451 HydrophobicContact CD1-CG 4.39Å; I414-R451 HydrophobicContact CG2-CB 4.49Å; I414-R454 HydrophobicContact CG2-CB 4.04Å
415T90.2Very high85.2Confident48 Ų4841.5 Ų41.529%0.29424%0.24SC..Hα-helixtrans-62.7-41.7173.1-69.20000112.1D411 E412 A418 N419 R454D411-T415 PolarHBondContact O-N 2.92Å; D411-T415 PolarHBondContact O-OG1 3.49Å; E412-T415 PolarHBondContact O-N 3.18Å; T415-A418 PolarHBondContact O-N 3.14Å; T415-N419 WeakPolarHBondContact CG2-ND2 3.42Å; T415-N419 WeakPolarHBondContact O-CB 3.39Å; T415-N419 VanDerWaalsContact O-CG 3.28Å; T415-N419 PolarHBondContact O-N 3.1Å; T415-N419 PolarHBondContact O-ND2 3.29Å; T415-R454 WeakPolarHBondContact OG1-CD 3.22Å; T415-R454 PolarHBondContact OG1-NH1 3.13Å
416I89.4Confident84.5Confident45 Ų4544.2 Ų44.223%0.23127%0.265CS..Hα-helixtrans-66.4-43.2177.8-65164.8000110.5I346 F350 E412 I413 A418 N419 L420I346-I416 HydrophobicContact CG2-CD1 3.88Å; F350-I416 HydrophobicContact CD1-CG2 3.87Å; F350-I416 HydrophobicContact CD2-CB 4.31Å; F350-I416 HydrophobicContact CD2-CD1 4.07Å; F350-I416 HydrophobicContact CD2-CG2 3.63Å; F350-I416 HydrophobicContact CE1-CB 4.47Å; F350-I416 HydrophobicContact CE1-CG2 3.77Å; F350-I416 HydrophobicContact CE2-CB 3.76Å; F350-I416 HydrophobicContact CE2-CD1 3.85Å; F350-I416 HydrophobicContact CE2-CG1 4.43Å; F350-I416 HydrophobicContact CE2-CG2 3.51Å; F350-I416 HydrophobicContact CG-CG2 3.81Å; F350-I416 HydrophobicContact CZ-CB 3.86Å; F350-I416 HydrophobicContact CZ-CG2 3.6Å; E412-I416 HydrophobicContact CG-CD1 3.82Å; E412-I416 HydrophobicContact CG-CG1 4.47Å; E412-I416 VanDerWaalsContact O-CG1 3.31Å; E412-I416 WeakPolarHBondContact O-CG1 3.47Å; E412-I416 PolarHBondContact O-N 3.14Å; I413-I416 PolarHBondContact O-N 2.92Å; I416-A418 PolarHBondContact O-N 3.4Å; I416-N419 PolarHBondContact O-N 2.7Å; I416-L420 HydrophobicContact CG2-CD1 3.92Å; I416-L420 HydrophobicContact CG2-CG 4.24Å; I416-L420 WeakPolarHBondContact O-CB 3.25Å; I416-L420 VanDerWaalsContact O-CG 3.28Å; I416-L420 WeakPolarHBondContact O-CG 3.3Å; I416-L420 PolarHBondContact O-N 3.02Å
417I89Confident83.9Confident0 Ų050.9 Ų50.90%029%0.288CS..Hα-helixtrans-56.9-49.8174-71166.8000110.9F350 I413 I414 N419 L420 I421 L436 L437 L440F350-I417 HydrophobicContact CE1-CG1 4.04Å; F350-I417 HydrophobicContact CZ-CG1 3.95Å; I413-I417 HydrophobicContact CG2-CD1 3.92Å; I413-I417 VanDerWaalsContact O-CG1 3.31Å; I413-I417 WeakPolarHBondContact O-CG1 3.34Å; I413-I417 PolarHBondContact O-N 3.36Å; I414-I417 PolarHBondContact O-N 3.36Å; I417-N419 PolarHBondContact O-N 2.91Å; I417-L420 PolarHBondContact O-N 2.83Å; I417-I421 HydrophobicContact CG2-CD1 3.62Å; I417-I421 WeakPolarHBondContact O-CD1 3.28Å; I417-I421 VanDerWaalsContact O-CG1 3.29Å; I417-I421 WeakPolarHBondContact O-CG1 3.38Å; I417-I421 PolarHBondContact O-N 3.41Å; I417-L436 HydrophobicContact CD1-CD2 3.8Å; I417-L436 HydrophobicContact CD1-CG 4Å; I417-L436 HydrophobicContact CG1-CD2 4.13Å; I417-L437 HydrophobicContact CG2-CB 4.2Å; I417-L440 HydrophobicContact CD1-CD1 3.62Å
418A89.1Confident83.4Confident7 Ų748.1 Ų48.16%0.05827%0.27CS..Hα-helixtrans-59.2-47.9179.500000112.1I414 T415 I416 L420 I421 W422 R454 L455 I458I414-A418 WeakPolarHBondContact O-CB 3.36Å; I414-A418 PolarHBondContact O-N 3.12Å; T415-A418 PolarHBondContact O-N 3.14Å; I416-A418 PolarHBondContact O-N 3.4Å; A418-L420 VanDerWaalsContact C-N 3.35Å; A418-L420 PolarHBondContact O-N 3.22Å; A418-I421 PolarHBondContact O-N 3.47Å; A418-W422 PolarHBondContact O-N 3.26Å; A418-W422 VanDerWaalsContact O-N 3.12Å; A418-R454 WeakPolarHBondContact CB-O 3.48Å; A418-L455 HydrophobicContact CB-CD2 3.93Å; A418-I458 HydrophobicContact CB-CD1 4.02Å
419N89.3Confident83.2Confident96 Ų9644.8 Ų44.851%0.51324%0.236SC..Hα-helixtrans-64.2-36.9178.3-73.8-27.9000112.5T415 I416 I417 S423T415-N419 WeakPolarHBondContact CG2-ND2 3.42Å; T415-N419 WeakPolarHBondContact O-CB 3.39Å; T415-N419 VanDerWaalsContact O-CG 3.28Å; T415-N419 PolarHBondContact O-N 3.1Å; T415-N419 PolarHBondContact O-ND2 3.29Å; I416-N419 PolarHBondContact O-N 2.7Å; I417-N419 PolarHBondContact O-N 2.91Å; N419-S423 VanDerWaalsContact O-CB 3.27Å; N419-S423 WeakPolarHBondContact O-CB 3.32Å; N419-S423 PolarHBondContact O-N 3.09Å; N419-S423 PolarHBondContact O-OG 2.69Å
420L86.4Confident82.8Confident4 Ų444.3 Ų44.32%0.02123%0.232CC..Hα-helixtrans-65.3-48176.2-80.9174.6000112.2F350 I416 I417 A418 W422 S423 E424 I429 A433F350-L420 HydrophobicContact CD1-CD1 3.49Å; F350-L420 VanDerWaalsContact CD1-CD1 3.49Å; F350-L420 HydrophobicContact CE1-CD1 3.74Å; F350-L420 HydrophobicContact CG-CD1 4.43Å; I416-L420 HydrophobicContact CG2-CD1 3.92Å; I416-L420 HydrophobicContact CG2-CG 4.24Å; I416-L420 WeakPolarHBondContact O-CB 3.25Å; I416-L420 VanDerWaalsContact O-CG 3.28Å; I416-L420 WeakPolarHBondContact O-CG 3.3Å; I416-L420 PolarHBondContact O-N 3.02Å; I417-L420 PolarHBondContact O-N 2.83Å; A418-L420 VanDerWaalsContact C-N 3.35Å; A418-L420 PolarHBondContact O-N 3.22Å; L420-W422 PolarHBondContact O-N 3.2Å; L420-S423 PolarHBondContact O-N 2.69Å; L420-E424 PolarHBondContact O-N 3Å; L420-I429 HydrophobicContact CD2-CD1 3.66Å; L420-I429 HydrophobicContact CD2-CG1 4.34Å; L420-A433 HydrophobicContact CB-CB 4.28Å; L420-A433 HydrophobicContact CD1-CB 4.36Å
421I84.1Confident82.1Confident0 Ų044.2 Ų44.20%023%0.234CC..Hα-helixtrans-60.4-37.4178.8-66.6162.5000110.6I417 A418 S425 A433 L434 I458 I469I417-I421 HydrophobicContact CG2-CD1 3.62Å; I417-I421 WeakPolarHBondContact O-CD1 3.28Å; I417-I421 VanDerWaalsContact O-CG1 3.29Å; I417-I421 WeakPolarHBondContact O-CG1 3.38Å; I417-I421 PolarHBondContact O-N 3.41Å; A418-I421 PolarHBondContact O-N 3.47Å; I421-S425 WeakPolarHBondContact O-CB 3.4Å; I421-A433 HydrophobicContact CG1-CB 4.22Å; I421-L434 HydrophobicContact CD1-CD2 3.53Å; I421-L434 HydrophobicContact CD1-CG 3.86Å; I421-L434 HydrophobicContact CG1-CD2 4.31Å; I421-L434 HydrophobicContact CG1-CG 4.11Å; I421-I458 HydrophobicContact CB-CD1 4.16Å; I421-I458 HydrophobicContact CG2-CD1 4.14Å; I421-I458 HydrophobicContact CG2-CG2 3.84Å; I421-I469 HydrophobicContact CG2-CG2 3.91Å
422W85.1Confident81.6Confident134 Ų13443.9 Ų43.951%0.50823%0.229SC..Hα-helixtrans-74.6-49.7177.7-169.9-96.9000113.4A418 L420 S457 I458 S461A418-W422 PolarHBondContact O-N 3.26Å; A418-W422 VanDerWaalsContact O-N 3.12Å; L420-W422 PolarHBondContact O-N 3.2Å; W422-S457 WeakPolarHBondContact CZ3-O 3.18Å; W422-I458 HydrophobicContact CE3-CG1 4.28Å; W422-S461 VanDerWaalsContact CH2-OG 3.31Å; W422-S461 WeakPolarHBondContact CH2-OG 3.45Å; W422-S461 WeakPolarHBondContact CZ3-OG 3.36Å
423S83.9Confident81.3Confident85 Ų8540.5 Ų40.559%0.59421%0.213SC*.Hα-helixtrans-82.7-30.4-169.660.90000114.7N419 L420N419-S423 VanDerWaalsContact O-CB 3.27Å; N419-S423 WeakPolarHBondContact O-CB 3.32Å; N419-S423 PolarHBondContact O-N 3.09Å; N419-S423 PolarHBondContact O-OG 2.69Å; L420-S423 PolarHBondContact O-N 2.69Å
424E79.6Confident80.9Confident26 Ų2640.6 Ų40.612%0.12121%0.213CC..THydrogen-bonded Turntrans-114.927.6-175.8-60.5-161.3-12300112.3R354 L420 S426 R427 I429R354-E424 IonicContact CZ-OE1 3.32Å; R354-E424 IonicContact NE-OE1 3.11Å; R354-E424 PolarHBondContact NE-OE1 3.31Å; R354-E424 IonicContact NH2-OE1 3.16Å; R354-E424 PolarHBondContact NH2-OE1 3.32Å; R354-E424 VanDerWaalsContact NH2-OE1 3.11Å; L420-E424 PolarHBondContact O-N 3Å; E424-S426 PolarHBondContact O-N 2.86Å; E424-R427 WeakPolarHBondContact O-CB 3.5Å; E424-R427 PolarHBondContact O-N 2.79Å; E424-R427 WeakPolarHBondContact OE2-CD 3.5Å; E424-R427 IonicContact OE2-CZ 2.72Å; E424-R427 IonicContact OE2-NE 3.37Å; E424-R427 IonicContact OE2-NH1 3.38Å; E424-R427 PolarHBondContact OE2-NH1 3.23Å; E424-I429 HydrophobicContact CB-CG2 3.51Å; E424-I429 HydrophobicContact CG-CG2 4.31Å
425S75.1Confident80.1Confident38 Ų3844.2 Ų44.227%0.26623%0.233SC..THydrogen-bonded Turntrans-61-0.6-174.269.60000117.2I421 I469I421-S425 WeakPolarHBondContact O-CB 3.4Å; S425-I469 WeakPolarHBondContact O-CD1 3.37Å
426S68Low79.8Confident113 Ų11342 Ų4279%0.7922%0.219SC*.THydrogen-bonded Turntrans-106.24.6173.358.40000113.6E424E424-S426 PolarHBondContact O-N 2.86Å
427R69Low79.6Confident154 Ų15439.8 Ų39.858%0.58121%0.208SC*.SBendtrans-122.8148.9-176.2-65.9171.5172.8-174.7-2.4110.6E424 I429 A430E424-R427 WeakPolarHBondContact O-CB 3.5Å; E424-R427 PolarHBondContact O-N 2.79Å; E424-R427 WeakPolarHBondContact OE2-CD 3.5Å; E424-R427 IonicContact OE2-CZ 2.72Å; E424-R427 IonicContact OE2-NE 3.37Å; E424-R427 IonicContact OE2-NH1 3.38Å; E424-R427 PolarHBondContact OE2-NH1 3.23Å; R427-I429 HydrophobicContact CB-CG2 3.73Å; R427-I429 PolarHBondContact O-N 3.34Å; R427-A430 PolarHBondContact O-N 2.97Å
428S70.3Confident78.9Confident19 Ų1940.1 Ų40.113%0.13321%0.21CC..THydrogen-bonded Turntrans-59.9-18.7179.764.40000114.5C357 A430 L431 Y432 E984C357-S428 PolarHBondContact SG-OG 3.23Å; S428-A430 PolarHBondContact O-N 3.11Å; S428-L431 WeakPolarHBondContact O-CA 3.44Å; S428-L431 WeakPolarHBondContact O-CB 3.24Å; S428-L431 PolarHBondContact O-N 2.89Å; S428-Y432 PolarHBondContact O-N 3.06Å; S428-E984 WeakPolarHBondContact CB-OE2 3.39Å
429I76.8Confident78.3Confident2 Ų241.6 Ų41.61%0.0122%0.217CC..Hα-helixtrans-53.8-35.2171.2-168.3177.8000112.9R354 C357 L420 E424 R427 L431 Y432 A433R354-I429 HydrophobicContact CG-CD1 3.6Å; R354-I429 VanDerWaalsContact NE-CD1 3.35Å; C357-I429 PolarHBondContact SG-N 2.67Å; C357-I429 VanDerWaalsContact SG-N 3.44Å; L420-I429 HydrophobicContact CD2-CD1 3.66Å; L420-I429 HydrophobicContact CD2-CG1 4.34Å; E424-I429 HydrophobicContact CB-CG2 3.51Å; E424-I429 HydrophobicContact CG-CG2 4.31Å; R427-I429 HydrophobicContact CB-CG2 3.73Å; R427-I429 PolarHBondContact O-N 3.34Å; I429-L431 VanDerWaalsContact C-N 3.31Å; I429-L431 PolarHBondContact O-N 2.84Å; I429-Y432 PolarHBondContact O-N 3.09Å; I429-A433 WeakPolarHBondContact O-CB 3.03Å; I429-A433 PolarHBondContact O-N 3.48Å
430A75.1Confident78.1Confident0 Ų037 Ų370%019%0.192CC..Hα-helixtrans-70.7-28.9178.200000112R427 S428 L434 I469R427-A430 PolarHBondContact O-N 2.97Å; S428-A430 PolarHBondContact O-N 3.11Å; A430-L434 WeakPolarHBondContact O-CG 3.43Å; A430-L434 PolarHBondContact O-N 3.3Å; A430-L434 VanDerWaalsContact O-N 3.14Å; A430-I469 HydrophobicContact CB-CD1 3.61Å; A430-I469 HydrophobicContact CB-CG1 4.35Å
431L71.2Confident77.7Confident28 Ų2836.8 Ų36.815%0.14719%0.191CC..Hα-helixtrans-75.6-41.8171.8-65.8173.3000111S428 I429 A433 L434 D435 I469 A472 E984S428-L431 WeakPolarHBondContact O-CA 3.44Å; S428-L431 WeakPolarHBondContact O-CB 3.24Å; S428-L431 PolarHBondContact O-N 2.89Å; I429-L431 VanDerWaalsContact C-N 3.31Å; I429-L431 PolarHBondContact O-N 2.84Å; L431-A433 VanDerWaalsContact C-N 3.3Å; L431-A433 PolarHBondContact O-N 3.26Å; L431-L434 CarbonylContact O-C 3.46Å; L431-L434 WeakPolarHBondContact O-CA 3.35Å; L431-L434 WeakPolarHBondContact O-CB 3.32Å; L431-L434 PolarHBondContact O-N 3.22Å; L431-D435 PolarHBondContact O-N 3.07Å; L431-I469 HydrophobicContact CD2-CG1 3.86Å; L431-I469 HydrophobicContact CG-CG1 4.3Å; L431-A472 HydrophobicContact CD2-CB 3.93Å; L431-E984 HydrophobicContact CD1-CG 4.45Å; L431-E984 WeakPolarHBondContact CD1-OE1 3.14Å
432Y76.4Confident77.2Confident52 Ų5237.3 Ų37.320%0.20420%0.195CC..Hα-helixtrans-63.3-33.8173.1-58.2-30.6000113A356 C357 L392 S428 I429 L434 D435 L436A356-Y432 HydrophobicContact CB-CE2 4.5Å; C357-Y432 VanDerWaalsContact SG-CE2 3.55Å; L392-Y432 HydrophobicContact CD1-CD1 3.84Å; L392-Y432 HydrophobicContact CD1-CD2 3.48Å; L392-Y432 VanDerWaalsContact CD1-CD2 3.48Å; L392-Y432 HydrophobicContact CD1-CE1 4.11Å; L392-Y432 HydrophobicContact CD1-CE2 3.75Å; L392-Y432 HydrophobicContact CD1-CG 3.53Å; L392-Y432 HydrophobicContact CD2-CD1 3.94Å; L392-Y432 HydrophobicContact CD2-CE1 3.65Å; L392-Y432 HydrophobicContact CD2-CE2 4.47Å; L392-Y432 HydrophobicContact CD2-CG 4.49Å; S428-Y432 PolarHBondContact O-N 3.06Å; I429-Y432 PolarHBondContact O-N 3.09Å; Y432-L434 VanDerWaalsContact C-N 3.32Å; Y432-D435 PolarHBondContact O-N 3.5Å; Y432-L436 PolarHBondContact O-N 3.04Å
433A81.7Confident76.7Confident0 Ų033.9 Ų33.90%019%0.189CC..Hα-helixtrans-68-31170.700000112.5L420 I421 I429 L431 L437L420-A433 HydrophobicContact CB-CB 4.28Å; L420-A433 HydrophobicContact CD1-CB 4.36Å; I421-A433 HydrophobicContact CG1-CB 4.22Å; I429-A433 WeakPolarHBondContact O-CB 3.03Å; I429-A433 PolarHBondContact O-N 3.48Å; L431-A433 VanDerWaalsContact C-N 3.3Å; L431-A433 PolarHBondContact O-N 3.26Å; A433-L437 WeakPolarHBondContact O-CB 3.26Å; A433-L437 PolarHBondContact O-N 3.42Å
434L80.5Confident76.5Confident1 Ų131.8 Ų31.81%0.00517%0.169CC..Hα-helixtrans-77.8-30.6172.8-78.6175.8000113.7I421 A430 L431 Y432 L437 S438 I469 A472 L473 A476I421-L434 HydrophobicContact CD1-CD2 3.53Å; I421-L434 HydrophobicContact CD1-CG 3.86Å; I421-L434 HydrophobicContact CG1-CD2 4.31Å; I421-L434 HydrophobicContact CG1-CG 4.11Å; A430-L434 WeakPolarHBondContact O-CG 3.43Å; A430-L434 PolarHBondContact O-N 3.3Å; A430-L434 VanDerWaalsContact O-N 3.14Å; L431-L434 CarbonylContact O-C 3.46Å; L431-L434 WeakPolarHBondContact O-CA 3.35Å; L431-L434 WeakPolarHBondContact O-CB 3.32Å; L431-L434 PolarHBondContact O-N 3.22Å; Y432-L434 VanDerWaalsContact C-N 3.32Å; L434-L437 HydrophobicContact CD2-CD2 3.92Å; L434-L437 PolarHBondContact O-N 2.85Å; L434-S438 WeakPolarHBondContact O-CB 3.43Å; L434-S438 PolarHBondContact O-N 3.48Å; L434-S438 PolarHBondContact O-OG 3.32Å; L434-I469 HydrophobicContact CD1-CB 4.29Å; L434-I469 HydrophobicContact CD1-CG2 3.66Å; L434-I469 WeakPolarHBondContact CD1-O 3.09Å; L434-A472 HydrophobicContact CB-CB 4.34Å; L434-A472 HydrophobicContact CD1-CB 3.73Å; L434-L473 HydrophobicContact CD1-CB 4.27Å; L434-L473 HydrophobicContact CD2-CB 4.03Å; L434-L473 HydrophobicContact CD2-CD1 3.77Å; L434-A476 HydrophobicContact CD2-CB 4.5Å
435D72.9Confident76.4Confident76 Ų7631.7 Ų31.741%0.40617%0.171SC..Hα-helixtrans-66.6-40.8169.5-73.6-36.8000110.7L431 Y432 S438 N439L431-D435 PolarHBondContact O-N 3.07Å; Y432-D435 PolarHBondContact O-N 3.5Å; D435-S438 VanDerWaalsContact O-CB 3.23Å; D435-S438 WeakPolarHBondContact O-CB 3.32Å; D435-S438 PolarHBondContact O-N 2.93Å; D435-N439 PolarHBondContact O-N 2.68Å; D435-N439 PolarHBondContact O-ND2 3.36Å
436L82.3Confident76.5Confident1 Ų132.9 Ų32.91%0.00517%0.174CC..Hα-helixtrans-60.4-49.5170.3-177.759.8000111.2F350 L396 L399 I417 Y432 S438 N439 L440F350-L436 HydrophobicContact CE1-CD2 4.02Å; F350-L436 HydrophobicContact CZ-CD2 4.16Å; L396-L436 HydrophobicContact CD2-CB 3.74Å; L396-L436 HydrophobicContact CD2-CD1 4.27Å; L396-L436 HydrophobicContact CD2-CG 4.49Å; L399-L436 HydrophobicContact CB-CD1 3.87Å; L399-L436 HydrophobicContact CB-CD2 3.92Å; L399-L436 HydrophobicContact CD1-CD2 3.56Å; L399-L436 HydrophobicContact CG-CD2 4.35Å; I417-L436 HydrophobicContact CD1-CD2 3.8Å; I417-L436 HydrophobicContact CD1-CG 4Å; I417-L436 HydrophobicContact CG1-CD2 4.13Å; Y432-L436 PolarHBondContact O-N 3.04Å; L436-S438 VanDerWaalsContact C-N 3.3Å; L436-S438 PolarHBondContact O-N 3.15Å; L436-N439 PolarHBondContact O-N 3.18Å; L436-L440 HydrophobicContact CD1-CD1 4.18Å; L436-L440 HydrophobicContact CD1-CG 4.24Å; L436-L440 HydrophobicContact CG-CD1 3.87Å; L436-L440 HydrophobicContact CG-CG 4.38Å; L436-L440 VanDerWaalsContact O-CG 3.24Å; L436-L440 WeakPolarHBondContact O-CG 3.13Å; L436-L440 PolarHBondContact O-N 3.15Å
437L85.8Confident77.1Confident0 Ų030.1 Ų30.10%015%0.149CC..Hα-helixtrans-59-41.8176.3-174.563.4000112I417 A433 L434 N439 L440 V441 V448 L455 L473 A476I417-L437 HydrophobicContact CG2-CB 4.2Å; A433-L437 WeakPolarHBondContact O-CB 3.26Å; A433-L437 PolarHBondContact O-N 3.42Å; L434-L437 HydrophobicContact CD2-CD2 3.92Å; L434-L437 PolarHBondContact O-N 2.85Å; L437-N439 PolarHBondContact O-N 3.35Å; L437-L440 PolarHBondContact O-N 2.85Å; L437-V441 HydrophobicContact CD1-CG2 4.08Å; L437-V441 HydrophobicContact CG-CG2 4.24Å; L437-V441 WeakPolarHBondContact O-CB 3.18Å; L437-V441 VanDerWaalsContact O-CG2 3.26Å; L437-V441 WeakPolarHBondContact O-CG2 3.45Å; L437-V441 PolarHBondContact O-N 3.11Å; L437-V448 HydrophobicContact CD1-CG1 4.11Å; L437-L455 HydrophobicContact CD1-CD1 4.37Å; L437-L455 HydrophobicContact CD2-CD1 4.02Å; L437-L473 HydrophobicContact CD2-CD1 4.16Å; L437-A476 HydrophobicContact CB-CB 4.37Å; L437-A476 HydrophobicContact CD2-CB 4.26Å; L437-A476 HydrophobicContact CG-CB 4.2Å
438S74.8Confident77.8Confident7 Ų722.8 Ų22.85%0.04912%0.121CC..Hα-helixtrans-52.8-51172.8-101.80000111.9L434 D435 L436 A442 A476L434-S438 WeakPolarHBondContact O-CB 3.43Å; L434-S438 PolarHBondContact O-N 3.48Å; L434-S438 PolarHBondContact O-OG 3.32Å; D435-S438 VanDerWaalsContact O-CB 3.23Å; D435-S438 WeakPolarHBondContact O-CB 3.32Å; D435-S438 PolarHBondContact O-N 2.93Å; L436-S438 VanDerWaalsContact C-N 3.3Å; L436-S438 PolarHBondContact O-N 3.15Å; S438-A442 VanDerWaalsContact O-CB 3.31Å; S438-A442 WeakPolarHBondContact O-CB 3.25Å; S438-A442 PolarHBondContact O-N 2.56Å; S438-A442 VanDerWaalsContact O-N 3.1Å; S438-A476 VanDerWaalsContact OG-CA 3.3Å; S438-A476 WeakPolarHBondContact OG-CA 3.41Å; S438-A476 WeakPolarHBondContact OG-CB 3.45Å
439N76.1Confident78.4Confident37 Ų3722.1 Ų22.120%0.19812%0.116CC..Hα-helixtrans-68.2-40.7179.1-66.4-34000111.8L400 D435 L436 L437 A442 V443L400-N439 HydrophobicContact CD1-CB 4.19Å; D435-N439 PolarHBondContact O-N 2.68Å; D435-N439 PolarHBondContact O-ND2 3.36Å; L436-N439 PolarHBondContact O-N 3.18Å; L437-N439 PolarHBondContact O-N 3.35Å; N439-A442 PolarHBondContact O-N 3.11Å; N439-V443 WeakPolarHBondContact O-CG2 3.37Å; N439-V443 PolarHBondContact O-N 2.93Å
440L84.1Confident78.7Confident0 Ų025.8 Ų25.80%014%0.135CC..Hα-helixtrans-63.8-44177.8-68.2168.8000112.4L400 F403 I413 I417 L436 L437 A442 F444 V448L400-L440 HydrophobicContact CD1-CD2 3.95Å; F403-L440 HydrophobicContact CB-CD2 3.53Å; F403-L440 HydrophobicContact CD1-CD2 3.7Å; F403-L440 HydrophobicContact CD2-CD1 4.42Å; F403-L440 HydrophobicContact CD2-CD2 3.78Å; F403-L440 HydrophobicContact CE1-CD2 4.32Å; F403-L440 HydrophobicContact CE2-CD2 4.38Å; F403-L440 HydrophobicContact CG-CD2 3.4Å; I413-L440 HydrophobicContact CG2-CD1 4.22Å; I417-L440 HydrophobicContact CD1-CD1 3.62Å; L436-L440 HydrophobicContact CD1-CD1 4.18Å; L436-L440 HydrophobicContact CD1-CG 4.24Å; L436-L440 HydrophobicContact CG-CD1 3.87Å; L436-L440 HydrophobicContact CG-CG 4.38Å; L436-L440 VanDerWaalsContact O-CG 3.24Å; L436-L440 WeakPolarHBondContact O-CG 3.13Å; L436-L440 PolarHBondContact O-N 3.15Å; L437-L440 PolarHBondContact O-N 2.85Å; L440-A442 VanDerWaalsContact C-N 3.32Å; L440-A442 PolarHBondContact O-N 3.38Å; L440-F444 CarbonylContact O-C 3.56Å; L440-F444 WeakPolarHBondContact O-CA 3.42Å; L440-F444 PolarHBondContact O-N 3.02Å; L440-V448 HydrophobicContact CB-CG2 4.12Å
441V79.7Confident79.2Confident0 Ų027.6 Ų27.60%014%0.142CC..Hα-helixtrans-67-34.1177.4170.10000111.7L437 P445 V448 A476 P479 L480L437-V441 HydrophobicContact CD1-CG2 4.08Å; L437-V441 HydrophobicContact CG-CG2 4.24Å; L437-V441 WeakPolarHBondContact O-CB 3.18Å; L437-V441 VanDerWaalsContact O-CG2 3.26Å; L437-V441 WeakPolarHBondContact O-CG2 3.45Å; L437-V441 PolarHBondContact O-N 3.11Å; V441-P445 VanDerWaalsContact O-CA 3.28Å; V441-P445 WeakPolarHBondContact O-CA 3.41Å; V441-P445 WeakPolarHBondContact O-CB 3.44Å; V441-P445 WeakPolarHBondContact O-CD 3.16Å; V441-V448 HydrophobicContact CG2-CB 4.06Å; V441-V448 HydrophobicContact CG2-CG1 3.64Å; V441-V448 HydrophobicContact CG2-CG2 4.28Å; V441-A476 WeakPolarHBondContact CB-O 3.4Å; V441-A476 WeakPolarHBondContact CG1-O 3.37Å; V441-P479 HydrophobicContact CG1-CB 3.93Å; V441-P479 HydrophobicContact CG1-CG 3.82Å; V441-L480 HydrophobicContact CG1-CD1 4.32Å; V441-L480 HydrophobicContact CG1-CD2 3.72Å; V441-L480 HydrophobicContact CG1-CG 3.63Å; V441-L480 HydrophobicContact CG2-CD1 4.4Å
442A72Confident79.8Confident10 Ų1026.3 Ų26.38%0.08314%0.135CC..Hα-helixtrans-72.9-42.8179.200000112.7S438 N439 L440 I587 Q590S438-A442 VanDerWaalsContact O-CB 3.31Å; S438-A442 WeakPolarHBondContact O-CB 3.25Å; S438-A442 PolarHBondContact O-N 2.56Å; S438-A442 VanDerWaalsContact O-N 3.1Å; N439-A442 PolarHBondContact O-N 3.11Å; L440-A442 VanDerWaalsContact C-N 3.32Å; L440-A442 PolarHBondContact O-N 3.38Å; A442-I587 HydrophobicContact CB-CB 4.19Å; A442-I587 HydrophobicContact CB-CG1 3.85Å; A442-I587 HydrophobicContact CB-CG2 4.22Å; A442-Q590 PolarHBondContact O-OE1 3.3Å
443V75Confident80.2Confident62 Ų6228.7 Ų28.738%0.37615%0.151SC..Hα-helixtrans-83.1-34.1-178.7-175.30000112.3N439N439-V443 WeakPolarHBondContact O-CG2 3.37Å; N439-V443 PolarHBondContact O-N 2.93Å
444F80.1Confident80.4Confident42 Ų4232.7 Ų32.718%0.18417%0.167CC..  trans-132.356.5-174.9-52.7-70.7000113.5F403 K404 L440 L446 E447 V448F403-F444 HydrophobicContact CD1-CB 4.46Å; F403-F444 AromaticContact CD1-CD2 3.56Å; F403-F444 HydrophobicContact CD1-CD2 3.56Å; F403-F444 HydrophobicContact CD1-CE2 4.06Å; F403-F444 HydrophobicContact CD1-CG 4.15Å; F403-F444 HydrophobicContact CE1-CB 3.87Å; F403-F444 AromaticContact CE1-CD2 3.85Å; F403-F444 HydrophobicContact CE1-CD2 3.85Å; F403-F444 HydrophobicContact CE1-CG 4.04Å; K404-F444 HydrophobicContact CB-CE2 4.03Å; K404-F444 HydrophobicContact CB-CZ 3.54Å; K404-F444 HydrophobicContact CG-CE1 4.44Å; K404-F444 HydrophobicContact CG-CZ 3.78Å; L440-F444 CarbonylContact O-C 3.56Å; L440-F444 WeakPolarHBondContact O-CA 3.42Å; L440-F444 PolarHBondContact O-N 3.02Å; F444-L446 VanDerWaalsContact C-N 3.34Å; F444-L446 PolarHBondContact O-N 2.88Å; F444-E447 HydrophobicContact CB-CB 4.09Å; F444-E447 HydrophobicContact CB-CG 4.37Å; F444-E447 PolarHBondContact O-N 3.4Å; F444-V448 PolarHBondContact O-N 3.44Å
445P77.5Confident80.7Confident23 Ų2332.7 Ų32.715%0.14917%0.166CC..Hα-helixtrans-56-41-171.319-31.6000114.1V441 A449 L480 F502V441-P445 VanDerWaalsContact O-CA 3.28Å; V441-P445 WeakPolarHBondContact O-CA 3.41Å; V441-P445 WeakPolarHBondContact O-CB 3.44Å; V441-P445 WeakPolarHBondContact O-CD 3.16Å; P445-A449 VanDerWaalsContact O-CB 3.29Å; P445-A449 WeakPolarHBondContact O-CB 3.2Å; P445-A449 PolarHBondContact O-N 3.15Å; P445-L480 HydrophobicContact CB-CD2 3.9Å; P445-L480 VanDerWaalsContact O-CD2 3.25Å; P445-L480 WeakPolarHBondContact O-CD2 3.23Å; P445-F502 HydrophobicContact CB-CE1 4.2Å
446L78.2Confident81.4Confident63 Ų6330.9 Ų30.933%0.3316%0.157SC..Hα-helixtrans-66.8-43.8-179.9-175.566.3000112.7F444 V448 A449 I450 I489 F502F444-L446 VanDerWaalsContact C-N 3.34Å; F444-L446 PolarHBondContact O-N 2.88Å; L446-V448 VanDerWaalsContact C-N 3.3Å; L446-V448 PolarHBondContact O-N 3.14Å; L446-A449 PolarHBondContact O-N 2.94Å; L446-I450 HydrophobicContact CD1-CD1 4.28Å; L446-I450 HydrophobicContact CG-CD1 4.09Å; L446-I450 WeakPolarHBondContact O-CG1 3.45Å; L446-I450 PolarHBondContact O-N 3.17Å; L446-I450 VanDerWaalsContact O-N 3.12Å; L446-I489 HydrophobicContact CD1-CD1 4.23Å; L446-I489 HydrophobicContact CD1-CG1 4.3Å; L446-F502 HydrophobicContact CB-CZ 4.23Å; L446-F502 HydrophobicContact CD1-CE2 3.77Å; L446-F502 HydrophobicContact CD1-CZ 3.97Å
447E80.6Confident81.5Confident56 Ų5634 Ų3426%0.26218%0.178SC..Hα-helixtrans-65.2-33.6-179.3-69.4-76.4163.900112.4F403 R410 F444 R451F403-E447 HydrophobicContact CE1-CB 4.05Å; F403-E447 HydrophobicContact CZ-CB 4.18Å; R410-E447 WeakPolarHBondContact CD-OE2 3.22Å; R410-E447 IonicContact CZ-OE2 3.01Å; R410-E447 IonicContact NE-OE2 2.67Å; R410-E447 IonicContact NH1-OE1 2.76Å; R410-E447 PolarHBondContact NH1-OE1 2.84Å; R410-E447 IonicContact NH1-OE2 3.47Å; R410-E447 PolarHBondContact NH1-OE2 3.12Å; F444-E447 HydrophobicContact CB-CB 4.09Å; F444-E447 HydrophobicContact CB-CG 4.37Å; F444-E447 PolarHBondContact O-N 3.4Å; E447-R451 PolarHBondContact O-NH1 3.31Å; E447-R451 IonicContact OE2-CZ 2.65Å; E447-R451 IonicContact OE2-NH1 3.84Å; E447-R451 PolarHBondContact OE2-NH1 3.02Å; E447-R451 IonicContact OE2-NH2 2.69Å
448V83.4Confident81.6Confident0 Ų034 Ų340%018%0.179CC..Hα-helixtrans-80.1-38.3174.7-173.60000111.1F403 I414 L437 L440 V441 F444 L446 I450 R451 A452F403-V448 HydrophobicContact CZ-CG2 4.05Å; I414-V448 HydrophobicContact CD1-CG1 4.22Å; I414-V448 HydrophobicContact CD1-CG2 4.35Å; L437-V448 HydrophobicContact CD1-CG1 4.11Å; L440-V448 HydrophobicContact CB-CG2 4.12Å; V441-V448 HydrophobicContact CG2-CB 4.06Å; V441-V448 HydrophobicContact CG2-CG1 3.64Å; V441-V448 HydrophobicContact CG2-CG2 4.28Å; F444-V448 PolarHBondContact O-N 3.44Å; L446-V448 VanDerWaalsContact C-N 3.3Å; L446-V448 PolarHBondContact O-N 3.14Å; V448-I450 PolarHBondContact O-N 2.63Å; V448-R451 CarbonylContact O-C 3.41Å; V448-R451 PolarHBondContact O-N 2.72Å; V448-A452 PolarHBondContact O-N 2.88Å
449A82.2Confident82.3Confident4 Ų433.7 Ų33.73%0.03318%0.176CC..Hα-helixtrans-57.4-45.9177.400000112.6P445 L446 R451 A452 L480 P501 F502P445-A449 VanDerWaalsContact O-CB 3.29Å; P445-A449 WeakPolarHBondContact O-CB 3.2Å; P445-A449 PolarHBondContact O-N 3.15Å; L446-A449 PolarHBondContact O-N 2.94Å; A449-R451 PolarHBondContact O-N 3Å; A449-A452 WeakPolarHBondContact O-CB 3.46Å; A449-A452 PolarHBondContact O-N 3.08Å; A449-L480 HydrophobicContact CB-CD2 4.23Å; A449-P501 HydrophobicContact CB-CB 4.22Å; A449-P501 HydrophobicContact CB-CG 4.36Å; A449-F502 HydrophobicContact CB-CD1 3.78Å; A449-F502 HydrophobicContact CB-CE1 3.6Å; A449-F502 HydrophobicContact CB-CE2 4.49Å; A449-F502 HydrophobicContact CB-CG 4.32Å; A449-F502 HydrophobicContact CB-CZ 3.97Å
450I83.7Confident82.9Confident79 Ų7935.3 Ų35.341%0.40519%0.185SC..THydrogen-bonded Turntrans-60.3-26.5177.7-67.3164.9000112L446 V448 P501L446-I450 HydrophobicContact CD1-CD1 4.28Å; L446-I450 HydrophobicContact CG-CD1 4.09Å; L446-I450 WeakPolarHBondContact O-CG1 3.45Å; L446-I450 PolarHBondContact O-N 3.17Å; L446-I450 VanDerWaalsContact O-N 3.12Å; V448-I450 PolarHBondContact O-N 2.63Å; I450-P501 HydrophobicContact CG1-CG 4.45Å
451R85Confident83Confident39 Ų3936.4 Ų36.415%0.14719%0.193CC..THydrogen-bonded Turntrans-106.46.2-177.1-63.5174.8179.190.7-4.4113.5D411 I414 E447 V448 A449 N453 R454D411-R451 WeakPolarHBondContact OD1-CD 3.27Å; D411-R451 IonicContact OD1-CZ 3.57Å; D411-R451 IonicContact OD1-NE 2.72Å; D411-R451 PolarHBondContact OD1-NE 3.02Å; D411-R451 IonicContact OD1-NH2 2.74Å; I414-R451 HydrophobicContact CD1-CB 3.72Å; I414-R451 HydrophobicContact CD1-CG 4.39Å; I414-R451 HydrophobicContact CG2-CB 4.49Å; E447-R451 PolarHBondContact O-NH1 3.31Å; E447-R451 IonicContact OE2-CZ 2.65Å; E447-R451 IonicContact OE2-NH1 3.84Å; E447-R451 PolarHBondContact OE2-NH1 3.02Å; E447-R451 IonicContact OE2-NH2 2.69Å; V448-R451 CarbonylContact O-C 3.41Å; V448-R451 PolarHBondContact O-N 2.72Å; A449-R451 PolarHBondContact O-N 3Å; R451-N453 PolarHBondContact O-N 3.49Å; R451-N453 PolarHBondContact O-OD1 3.02Å; R451-R454 PolarHBondContact O-N 3.08Å
452A84.1Confident83.3Confident1 Ų136.5 Ų36.51%0.00819%0.193CC..G310 helixtrans-69.4-17.2-173.800000113.5V448 A449 R454 L455 V505V448-A452 PolarHBondContact O-N 2.88Å; A449-A452 WeakPolarHBondContact O-CB 3.46Å; A449-A452 PolarHBondContact O-N 3.08Å; A452-R454 PolarHBondContact O-N 3.27Å; A452-R454 VanDerWaalsContact O-N 3.09Å; A452-L455 WeakPolarHBondContact O-CA 3.27Å; A452-L455 WeakPolarHBondContact O-CB 3.44Å; A452-L455 PolarHBondContact O-N 3.01Å; A452-V505 HydrophobicContact CB-CG2 3.37Å
453N84.8Confident83.6Confident101 Ų10136.6 Ų36.654%0.5420%0.195SC..G310 helixtrans-54.5-24.9170.860.70.2000113.5R451 L455 D456R451-N453 PolarHBondContact O-N 3.49Å; R451-N453 PolarHBondContact O-OD1 3.02Å; N453-L455 PolarHBondContact O-N 2.94Å; N453-D456 WeakPolarHBondContact O-CB 3.28Å; N453-D456 PolarHBondContact O-N 3.31Å
454R85.6Confident84Confident85 Ų8539.4 Ų39.432%0.32121%0.208SC..G310 helixtrans-69.9-14.3173.4-65.9170.6-168.5-139.7-1.3113.6D411 I414 T415 A418 R451 A452D411-R454 VanDerWaalsContact C-NH1 3.33Å; D411-R454 PolarHBondContact O-NH1 3.02Å; D411-R454 IonicContact OD2-CZ 3.6Å; D411-R454 IonicContact OD2-NH1 2.79Å; D411-R454 PolarHBondContact OD2-NH1 3.06Å; D411-R454 IonicContact OD2-NH2 3.3Å; D411-R454 PolarHBondContact OD2-NH2 3.01Å; I414-R454 HydrophobicContact CG2-CB 4.04Å; T415-R454 WeakPolarHBondContact OG1-CD 3.22Å; T415-R454 PolarHBondContact OG1-NH1 3.13Å; A418-R454 WeakPolarHBondContact CB-O 3.48Å; R451-R454 PolarHBondContact O-N 3.08Å; A452-R454 PolarHBondContact O-N 3.27Å; A452-R454 VanDerWaalsContact O-N 3.09Å
455L86.4Confident84.2Confident0 Ų038.3 Ų38.30%020%0.203CC..G310 helixtrans-100.2-6177.7-55.2174.1000112.8A418 L437 A452 N453 S457 I458 I459 L477A418-L455 HydrophobicContact CB-CD2 3.93Å; L437-L455 HydrophobicContact CD1-CD1 4.37Å; L437-L455 HydrophobicContact CD2-CD1 4.02Å; A452-L455 WeakPolarHBondContact O-CA 3.27Å; A452-L455 WeakPolarHBondContact O-CB 3.44Å; A452-L455 PolarHBondContact O-N 3.01Å; N453-L455 PolarHBondContact O-N 2.94Å; L455-S457 VanDerWaalsContact C-N 3.33Å; L455-S457 PolarHBondContact O-N 3.28Å; L455-I458 HydrophobicContact CD2-CD1 3.98Å; L455-I458 WeakPolarHBondContact O-CA 3.43Å; L455-I458 VanDerWaalsContact O-CB 3.31Å; L455-I458 WeakPolarHBondContact O-CB 3.47Å; L455-I458 PolarHBondContact O-N 2.88Å; L455-I459 HydrophobicContact CB-CD1 4.07Å; L455-I459 HydrophobicContact CB-CG1 4.49Å; L455-I459 WeakPolarHBondContact O-CG1 3.42Å; L455-I459 PolarHBondContact O-N 3.28Å; L455-L477 HydrophobicContact CD1-CD2 3.99Å
456D87.8Confident84.3Confident39 Ų3939.9 Ų39.921%0.20921%0.213CC..Hα-helixtrans-56.5-41.7-171.9-84.7-12.5000113.6N453 I458 I459 D460 R508N453-D456 WeakPolarHBondContact O-CB 3.28Å; N453-D456 PolarHBondContact O-N 3.31Å; D456-I458 VanDerWaalsContact C-N 3.26Å; D456-I458 PolarHBondContact O-N 2.89Å; D456-I459 PolarHBondContact O-N 3.34Å; D456-D460 WeakPolarHBondContact O-CB 3.25Å; D456-D460 VanDerWaalsContact O-CG 3.23Å; D456-D460 PolarHBondContact O-N 2.96Å; D456-R508 VanDerWaalsContact CG-CZ 3.46Å; D456-R508 WeakPolarHBondContact OD1-CD 3.19Å; D456-R508 IonicContact OD1-CZ 3.63Å; D456-R508 IonicContact OD1-NE 2.81Å; D456-R508 IonicContact OD1-NH1 3.29Å; D456-R508 IonicContact OD2-CZ 2.7Å; D456-R508 IonicContact OD2-NH1 3.62Å; D456-R508 PolarHBondContact OD2-NH1 2.65Å
457S85.6Confident84.1Confident65 Ų6539.5 Ų39.546%0.45521%0.212SC..Hα-helixtrans-62.5-32.4177.354.10000113.2W422 L455 S461W422-S457 WeakPolarHBondContact CZ3-O 3.18Å; L455-S457 VanDerWaalsContact C-N 3.33Å; L455-S457 PolarHBondContact O-N 3.28Å; S457-S461 WeakPolarHBondContact O-CB 3.31Å; S457-S461 PolarHBondContact O-N 3.33Å; S457-S461 PolarHBondContact O-OG 3.16Å
458I87.5Confident83.5Confident1 Ų139.4 Ų39.41%0.00522%0.217CC..Hα-helixtrans-75.3-44.2177.6-46178000109.5A418 I421 W422 L455 D456 S461 I462 I465 L473A418-I458 HydrophobicContact CB-CD1 4.02Å; I421-I458 HydrophobicContact CB-CD1 4.16Å; I421-I458 HydrophobicContact CG2-CD1 4.14Å; I421-I458 HydrophobicContact CG2-CG2 3.84Å; W422-I458 HydrophobicContact CE3-CG1 4.28Å; L455-I458 HydrophobicContact CD2-CD1 3.98Å; L455-I458 WeakPolarHBondContact O-CA 3.43Å; L455-I458 VanDerWaalsContact O-CB 3.31Å; L455-I458 WeakPolarHBondContact O-CB 3.47Å; L455-I458 PolarHBondContact O-N 2.88Å; D456-I458 VanDerWaalsContact C-N 3.26Å; D456-I458 PolarHBondContact O-N 2.89Å; I458-S461 CarbonylContact O-C 3.56Å; I458-S461 PolarHBondContact O-N 2.9Å; I458-S461 VanDerWaalsContact O-N 3.15Å; I458-I462 PolarHBondContact O-N 3.09Å; I458-I462 VanDerWaalsContact O-N 3.16Å; I458-I465 HydrophobicContact CB-CD1 4.5Å; I458-I465 HydrophobicContact CG2-CD1 3.47Å; I458-I465 VanDerWaalsContact CG2-CD1 3.47Å; I458-L473 HydrophobicContact CG2-CD2 3.77Å
459I88.5Confident83.2Confident0 Ų039.6 Ų39.60%022%0.218CC..Hα-helixtrans-66.1-37.7178-63.9168.2000111.2L455 D456 S461 I462 L477 R508 L509 N512L455-I459 HydrophobicContact CB-CD1 4.07Å; L455-I459 HydrophobicContact CB-CG1 4.49Å; L455-I459 WeakPolarHBondContact O-CG1 3.42Å; L455-I459 PolarHBondContact O-N 3.28Å; D456-I459 PolarHBondContact O-N 3.34Å; I459-S461 VanDerWaalsContact C-N 3.27Å; I459-S461 PolarHBondContact O-N 3.31Å; I459-I462 WeakPolarHBondContact O-CG2 3.43Å; I459-L477 HydrophobicContact CD1-CD1 4.02Å; I459-L477 HydrophobicContact CG1-CD1 4.3Å; I459-R508 HydrophobicContact CG2-CB 4.47Å; I459-R508 HydrophobicContact CG2-CG 4.12Å; I459-L509 HydrophobicContact CG2-CB 4.09Å; I459-L509 HydrophobicContact CG2-CD1 4.14Å; I459-N512 WeakPolarHBondContact O-CB 3.44Å; I459-N512 PolarHBondContact O-ND2 3Å
460D88.6Confident83.1Confident72 Ų7239.4 Ų39.439%0.38522%0.216SC..Hα-helixtrans-64-31.5172.3-72.5-12.2000112.6D456 R508 N512D456-D460 WeakPolarHBondContact O-CB 3.25Å; D456-D460 VanDerWaalsContact O-CG 3.23Å; D456-D460 PolarHBondContact O-N 2.96Å; D460-R508 IonicContact OD1-CZ 3.45Å; D460-R508 IonicContact OD1-NE 3.42Å; D460-R508 PolarHBondContact OD1-NE 3.12Å; D460-R508 IonicContact OD1-NH2 3.69Å; D460-R508 PolarHBondContact OD1-NH2 3.34Å; D460-R508 IonicContact OD2-CZ 2.75Å; D460-R508 IonicContact OD2-NE 2.76Å; D460-R508 IonicContact OD2-NH2 2.67Å; D460-R508 PolarHBondContact OD2-NH2 3.11Å; D460-N512 VanDerWaalsContact CA-ND2 3.32Å; D460-N512 WeakPolarHBondContact CA-ND2 3.29Å; D460-N512 PolarHBondContact OD1-ND2 3.1Å
461S86.3Confident82.6Confident22 Ų2237.4 Ų37.415%0.15421%0.208CC..THydrogen-bonded Turntrans-100.412-174.9-52.80000114.1W422 S457 I458 I459 G463 L464 I465W422-S461 VanDerWaalsContact CH2-OG 3.31Å; W422-S461 WeakPolarHBondContact CH2-OG 3.45Å; W422-S461 WeakPolarHBondContact CZ3-OG 3.36Å; S457-S461 WeakPolarHBondContact O-CB 3.31Å; S457-S461 PolarHBondContact O-N 3.33Å; S457-S461 PolarHBondContact O-OG 3.16Å; I458-S461 CarbonylContact O-C 3.56Å; I458-S461 PolarHBondContact O-N 2.9Å; I458-S461 VanDerWaalsContact O-N 3.15Å; I459-S461 VanDerWaalsContact C-N 3.27Å; I459-S461 PolarHBondContact O-N 3.31Å; S461-G463 PolarHBondContact O-N 2.92Å; S461-L464 WeakPolarHBondContact O-CB 3.45Å; S461-L464 PolarHBondContact O-N 2.68Å; S461-I465 PolarHBondContact O-N 2.86Å
462I85.5Confident81.8Confident2 Ų236.9 Ų36.91%0.0121%0.212CC..THydrogen-bonded Turntrans-57.3-23.6-171-166165.2000115.1I458 I459 S470 L473 V474 L509 N512 L513I458-I462 PolarHBondContact O-N 3.09Å; I458-I462 VanDerWaalsContact O-N 3.16Å; I459-I462 WeakPolarHBondContact O-CG2 3.43Å; I462-S470 PolarHBondContact O-OG 3.03Å; I462-L473 HydrophobicContact CD1-CD2 4.48Å; I462-V474 HydrophobicContact CD1-CG2 3.69Å; I462-L509 HydrophobicContact CD1-CD1 3.63Å; I462-N512 HydrophobicContact CG2-CB 4.31Å; I462-L513 HydrophobicContact CD1-CD2 4Å; I462-L513 HydrophobicContact CG2-CD2 4.17Å
463G80.3Confident81.8Confident12 Ų1236.8 Ų36.812%0.12421%0.211CC..THydrogen-bonded Turntrans-86-3.917400000115.7S461 S524S461-G463 PolarHBondContact O-N 2.92Å; G463-S524 WeakPolarHBondContact O-CA 3.32Å; G463-S524 VanDerWaalsContact O-CB 3.24Å; G463-S524 WeakPolarHBondContact O-CB 3.44Å
464L83.2Confident81.7Confident122 Ų12232 Ų3264%0.63919%0.186SC*.THydrogen-bonded Turntrans-104.7-24.4176.2-57.3178.1000112.4S461S461-L464 WeakPolarHBondContact O-CB 3.45Å; S461-L464 PolarHBondContact O-N 2.68Å
465I83.5Confident81.2Confident18 Ų1830.6 Ų30.69%0.09218%0.183CC..SBendtrans-74.3149.2178.5-66.9170000110.2I458 S461 I469 S470I458-I465 HydrophobicContact CB-CD1 4.5Å; I458-I465 HydrophobicContact CG2-CD1 3.47Å; I458-I465 VanDerWaalsContact CG2-CD1 3.47Å; S461-I465 PolarHBondContact O-N 2.86Å; I465-I469 HydrophobicContact CG2-CB 3.64Å; I465-I469 HydrophobicContact CG2-CG2 3.45Å; I465-I469 VanDerWaalsContact CG2-CG2 3.45Å; I465-S470 WeakPolarHBondContact CB-OG 3.23Å; I465-S470 PolarHBondContact O-OG 3.33Å
466P79Confident80.7Confident56 Ų5630.6 Ų30.636%0.36418%0.183SC..  trans-58.7145.7176.9-28.538.5000114.2S468 I469 S470P466-S468 VanDerWaalsContact C-N 3.29Å; P466-S468 PolarHBondContact O-N 3.38Å; P466-S468 VanDerWaalsContact O-N 3.15Å; P466-I469 PolarHBondContact O-N 3.29Å; P466-S470 PolarHBondContact O-N 3.29Å; P466-S470 PolarHBondContact O-OG 2.82Å
467L74.2Confident80.6Confident56 Ų5628.8 Ų28.829%0.29317%0.173SC..Hα-helixtrans-51.4-41-173.2179.161000114.2T471 A527 A530L467-T471 HydrophobicContact CD1-CG2 4.1Å; L467-T471 WeakPolarHBondContact O-CB 3.43Å; L467-T471 WeakPolarHBondContact O-CG2 3.44Å; L467-T471 PolarHBondContact O-N 2.96Å; L467-T471 PolarHBondContact O-OG1 3.44Å; L467-A527 HydrophobicContact CD1-CB 4.27Å; L467-A530 HydrophobicContact CD1-CB 3.8Å
468S68.8Low80.2Confident53 Ų5325.7 Ų25.737%0.37115%0.151SC..Hα-helixtrans-61.7-47.8177.248.70000112P466 T471 A472P466-S468 VanDerWaalsContact C-N 3.29Å; P466-S468 PolarHBondContact O-N 3.38Å; P466-S468 VanDerWaalsContact O-N 3.15Å; S468-T471 PolarHBondContact O-OG1 3.47Å; S468-T471 VanDerWaalsContact O-OG1 3.12Å; S468-A472 WeakPolarHBondContact O-CB 3.01Å; S468-A472 PolarHBondContact O-N 3.32Å
469I76.5Confident79.6Confident4 Ų425.7 Ų25.72%0.02115%0.151CC..Hα-helixtrans-70.7-42.6-179.8-63.6175.1000110.5I421 S425 A430 L431 L434 I465 P466 T471 A472 L473I421-I469 HydrophobicContact CG2-CG2 3.91Å; S425-I469 WeakPolarHBondContact O-CD1 3.37Å; A430-I469 HydrophobicContact CB-CD1 3.61Å; A430-I469 HydrophobicContact CB-CG1 4.35Å; L431-I469 HydrophobicContact CD2-CG1 3.86Å; L431-I469 HydrophobicContact CG-CG1 4.3Å; L434-I469 HydrophobicContact CD1-CB 4.29Å; L434-I469 HydrophobicContact CD1-CG2 3.66Å; L434-I469 WeakPolarHBondContact CD1-O 3.09Å; I465-I469 HydrophobicContact CG2-CB 3.64Å; I465-I469 HydrophobicContact CG2-CG2 3.45Å; I465-I469 VanDerWaalsContact CG2-CG2 3.45Å; P466-I469 PolarHBondContact O-N 3.29Å; I469-T471 VanDerWaalsContact C-N 3.34Å; I469-T471 PolarHBondContact O-N 2.87Å; I469-A472 PolarHBondContact O-N 3.35Å; I469-L473 VanDerWaalsContact O-CB 3.26Å; I469-L473 WeakPolarHBondContact O-CB 3.3Å; I469-L473 PolarHBondContact O-N 3.36Å
470S79.4Confident79.1Confident0 Ų025.7 Ų25.70%015%0.151CC..Hα-helixtrans-62.2-39.7177.4-610000112.4I462 I465 P466 V474 C531I462-S470 PolarHBondContact O-OG 3.03Å; I465-S470 WeakPolarHBondContact CB-OG 3.23Å; I465-S470 PolarHBondContact O-OG 3.33Å; P466-S470 PolarHBondContact O-N 3.29Å; P466-S470 PolarHBondContact O-OG 2.82Å; S470-V474 PolarHBondContact O-N 3.23Å; S470-C531 PolarHBondContact O-SG 2.78Å
471T74.2Confident78.6Confident38 Ų3822.3 Ų22.323%0.23313%0.133CC..Hα-helixtrans-74.2-39176.650.90000112.7L467 S468 I469 V474 H475 A530L467-T471 HydrophobicContact CD1-CG2 4.1Å; L467-T471 WeakPolarHBondContact O-CB 3.43Å; L467-T471 WeakPolarHBondContact O-CG2 3.44Å; L467-T471 PolarHBondContact O-N 2.96Å; L467-T471 PolarHBondContact O-OG1 3.44Å; S468-T471 PolarHBondContact O-OG1 3.47Å; S468-T471 VanDerWaalsContact O-OG1 3.12Å; I469-T471 VanDerWaalsContact C-N 3.34Å; I469-T471 PolarHBondContact O-N 2.87Å; T471-V474 PolarHBondContact O-N 2.83Å; T471-H475 PolarHBondContact O-N 3.07Å; T471-A530 HydrophobicContact CG2-CB 3.56Å
472A68.7Low77.8Confident27 Ų2722 Ų2222%0.22313%0.128CC..Hα-helixtrans-65.8-35.2174.400000112.6L431 L434 S468 I469 H475 A476L431-A472 HydrophobicContact CD2-CB 3.93Å; L434-A472 HydrophobicContact CB-CB 4.34Å; L434-A472 HydrophobicContact CD1-CB 3.73Å; S468-A472 WeakPolarHBondContact O-CB 3.01Å; S468-A472 PolarHBondContact O-N 3.32Å; I469-A472 PolarHBondContact O-N 3.35Å; A472-H475 WeakPolarHBondContact O-CB 3.2Å; A472-H475 PolarHBondContact O-N 3.07Å; A472-A476 WeakPolarHBondContact O-CB 3.38Å; A472-A476 PolarHBondContact O-N 3.34Å
473L84Confident77Confident0 Ų021.9 Ų21.90%013%0.128CC..Hα-helixtrans-62.6-45173.8178.265.2000111.8L434 L437 I458 I462 I469 H475 A476 L477L434-L473 HydrophobicContact CD1-CB 4.27Å; L434-L473 HydrophobicContact CD2-CB 4.03Å; L434-L473 HydrophobicContact CD2-CD1 3.77Å; L437-L473 HydrophobicContact CD2-CD1 4.16Å; I458-L473 HydrophobicContact CG2-CD2 3.77Å; I462-L473 HydrophobicContact CD1-CD2 4.48Å; I469-L473 VanDerWaalsContact O-CB 3.26Å; I469-L473 WeakPolarHBondContact O-CB 3.3Å; I469-L473 PolarHBondContact O-N 3.36Å; L473-H475 VanDerWaalsContact C-N 3.3Å; L473-H475 PolarHBondContact O-N 2.96Å; L473-A476 PolarHBondContact O-N 3.01Å; L473-L477 HydrophobicContact CD1-CD1 3.91Å; L473-L477 HydrophobicContact CD1-CG 4.25Å; L473-L477 HydrophobicContact CG-CD1 4.07Å; L473-L477 WeakPolarHBondContact O-CG 3.09Å; L473-L477 PolarHBondContact O-N 3.43Å
474V81.9Confident76.2Confident0 Ų021.3 Ų21.30%012%0.122CC..Hα-helixtrans-69.8-29.5176.5177.30000111.7I462 S470 T471 L478 L509 C531 L534 L535I462-V474 HydrophobicContact CD1-CG2 3.69Å; S470-V474 PolarHBondContact O-N 3.23Å; T471-V474 PolarHBondContact O-N 2.83Å; V474-L478 PolarHBondContact O-N 2.96Å; V474-L509 HydrophobicContact CG1-CD2 4.38Å; V474-L509 HydrophobicContact CG2-CD1 3.96Å; V474-L509 HydrophobicContact CG2-CD2 4.11Å; V474-C531 HydrophobicContact CB-CB 4.49Å; V474-C531 HydrophobicContact CG2-CB 4.01Å; V474-L534 HydrophobicContact CB-CD2 4.18Å; V474-L534 HydrophobicContact CG1-CD2 4.04Å; V474-L535 HydrophobicContact CG1-CD2 4.07Å; V474-L535 HydrophobicContact CG1-CG 4.24Å
475H75.4Confident75.1Confident56 Ų5617.5 Ų17.526%0.25911%0.106SC..Hα-helixtrans-68.2-42.7171-167.8-79.6000112.1T471 A472 L473 L478 L534T471-H475 PolarHBondContact O-N 3.07Å; A472-H475 WeakPolarHBondContact O-CB 3.2Å; A472-H475 PolarHBondContact O-N 3.07Å; L473-H475 VanDerWaalsContact C-N 3.3Å; L473-H475 PolarHBondContact O-N 2.96Å; H475-L478 WeakPolarHBondContact O-CB 3.49Å; H475-L478 PolarHBondContact O-N 3.17Å; H475-L534 HydrophobicContact CB-CD2 4.07Å
476A76.8Confident74Confident0 Ų020.5 Ų20.50%012%0.122CC..Hα-helixtrans-64.1-44.5176.800000112.5L434 L437 S438 V441 A472 L473 L478 P479L434-A476 HydrophobicContact CD2-CB 4.5Å; L437-A476 HydrophobicContact CB-CB 4.37Å; L437-A476 HydrophobicContact CD2-CB 4.26Å; L437-A476 HydrophobicContact CG-CB 4.2Å; S438-A476 VanDerWaalsContact OG-CA 3.3Å; S438-A476 WeakPolarHBondContact OG-CA 3.41Å; S438-A476 WeakPolarHBondContact OG-CB 3.45Å; V441-A476 WeakPolarHBondContact CB-O 3.4Å; V441-A476 WeakPolarHBondContact CG1-O 3.37Å; A472-A476 WeakPolarHBondContact O-CB 3.38Å; A472-A476 PolarHBondContact O-N 3.34Å; L473-A476 PolarHBondContact O-N 3.01Å; A476-L478 PolarHBondContact O-N 3.03Å; A476-P479 WeakPolarHBondContact O-CD 3.47Å
477L84.4Confident72.9Confident0 Ų020.3 Ų20.30%012%0.117CC..THydrogen-bonded Turntrans-76.8-4.5179.4-62.8173.9000113.8L455 I459 L473 L480 I481L455-L477 HydrophobicContact CD1-CD2 3.99Å; I459-L477 HydrophobicContact CD1-CD1 4.02Å; I459-L477 HydrophobicContact CG1-CD1 4.3Å; L473-L477 HydrophobicContact CD1-CD1 3.91Å; L473-L477 HydrophobicContact CD1-CG 4.25Å; L473-L477 HydrophobicContact CG-CD1 4.07Å; L473-L477 WeakPolarHBondContact O-CG 3.09Å; L473-L477 PolarHBondContact O-N 3.43Å; L477-L480 HydrophobicContact CD2-CD1 3.89Å; L477-L480 WeakPolarHBondContact O-CB 3.3Å; L477-L480 PolarHBondContact O-N 3.3Å; L477-I481 HydrophobicContact CB-CD1 3.95Å; L477-I481 HydrophobicContact CB-CG1 4.48Å; L477-I481 WeakPolarHBondContact O-CG1 3.49Å; L477-I481 PolarHBondContact O-N 2.99Å; L477-I481 VanDerWaalsContact O-N 3.14Å
478L78.5Confident71.9Confident1 Ų126.5 Ų26.51%0.00515%0.145CC..Hα-helixtrans-55.4-41.8-172.3-177.367.2000115V474 H475 A476 L480 I481 R482 H538V474-L478 PolarHBondContact O-N 2.96Å; H475-L478 WeakPolarHBondContact O-CB 3.49Å; H475-L478 PolarHBondContact O-N 3.17Å; A476-L478 PolarHBondContact O-N 3.03Å; L478-L480 VanDerWaalsContact C-N 3.32Å; L478-L480 PolarHBondContact O-N 3.37Å; L478-I481 PolarHBondContact O-N 3.33Å; L478-R482 WeakPolarHBondContact O-CB 3.31Å; L478-R482 PolarHBondContact O-N 3.21Å; L478-H538 HydrophobicContact CD1-CB 3.78Å; L478-H538 HydrophobicContact CD2-CB 3.79Å; L478-H538 VanDerWaalsContact CD2-CG 3.48Å; L478-H538 WeakPolarHBondContact CD2-ND1 3.42Å; L478-H538 HydrophobicContact CG-CB 4.33Å
479P73.7Confident71.1Confident1 Ų127.2 Ų27.21%0.00614%0.144CC..Hα-helixtrans-60.2-39.6175.5-24.635.8000113V441 A476 R482 A483 I587 A591 L594V441-P479 HydrophobicContact CG1-CB 3.93Å; V441-P479 HydrophobicContact CG1-CG 3.82Å; A476-P479 WeakPolarHBondContact O-CD 3.47Å; P479-R482 PolarHBondContact O-N 3.03Å; P479-A483 PolarHBondContact O-N 3.46Å; P479-A483 VanDerWaalsContact O-N 3.1Å; P479-I587 HydrophobicContact CG-CG2 3.64Å; P479-A591 HydrophobicContact CB-CB 4.29Å; P479-A591 HydrophobicContact CG-CB 4.27Å; P479-L594 HydrophobicContact CB-CD1 3.89Å
480L77.9Confident69.8Low0 Ų030.8 Ų30.80%018%0.181CC..Hα-helixtrans-64.6-46.5178-48.8-174.8000111V441 P445 A449 L477 L478 R482 F502V441-L480 HydrophobicContact CG1-CD1 4.32Å; V441-L480 HydrophobicContact CG1-CD2 3.72Å; V441-L480 HydrophobicContact CG1-CG 3.63Å; V441-L480 HydrophobicContact CG2-CD1 4.4Å; P445-L480 HydrophobicContact CB-CD2 3.9Å; P445-L480 VanDerWaalsContact O-CD2 3.25Å; P445-L480 WeakPolarHBondContact O-CD2 3.23Å; A449-L480 HydrophobicContact CB-CD2 4.23Å; L477-L480 HydrophobicContact CD2-CD1 3.89Å; L477-L480 WeakPolarHBondContact O-CB 3.3Å; L477-L480 PolarHBondContact O-N 3.3Å; L478-L480 VanDerWaalsContact C-N 3.32Å; L478-L480 PolarHBondContact O-N 3.37Å; L480-R482 VanDerWaalsContact C-N 3.26Å; L480-R482 PolarHBondContact O-N 2.95Å; L480-F502 HydrophobicContact CB-CD1 4.07Å; L480-F502 HydrophobicContact CD2-CD1 3.95Å; L480-F502 HydrophobicContact CD2-CE1 3.67Å
481I77.8Confident68Low1 Ų139 Ų391%0.00521%0.214CC..Hα-helixtrans-62.9-36.6-179.2-61.2158.7000110.7L477 L478 R506 L509 L535L477-I481 HydrophobicContact CB-CD1 3.95Å; L477-I481 HydrophobicContact CB-CG1 4.48Å; L477-I481 WeakPolarHBondContact O-CG1 3.49Å; L477-I481 PolarHBondContact O-N 2.99Å; L477-I481 VanDerWaalsContact O-N 3.14Å; L478-I481 PolarHBondContact O-N 3.33Å; I481-R506 HydrophobicContact CG2-CG 4.36Å; I481-R506 PolarHBondContact O-NH1 2.81Å; I481-L509 HydrophobicContact CD1-CD2 3.33Å; I481-L509 HydrophobicContact CG1-CD2 4.11Å; I481-L535 HydrophobicContact CD1-CD2 4.2Å; I481-L535 HydrophobicContact CG2-CD2 3.94Å
482R70.6Confident66.1Low14 Ų1445.1 Ų45.15%0.05325%0.245CC..Hα-helixtrans-80.7-31.4-175.4-179161.4157.1140.74.8114L478 P479 L480 G484 H538 A591 C596L478-R482 WeakPolarHBondContact O-CB 3.31Å; L478-R482 PolarHBondContact O-N 3.21Å; P479-R482 PolarHBondContact O-N 3.03Å; L480-R482 VanDerWaalsContact C-N 3.26Å; L480-R482 PolarHBondContact O-N 2.95Å; R482-G484 VanDerWaalsContact C-N 3.3Å; R482-G484 PolarHBondContact O-N 3.46Å; R482-H538 PolarHBondContact NH1-O 2.88Å; R482-A591 WeakPolarHBondContact CD-O 3.36Å; R482-A591 PolarHBondContact NE-O 3.39Å; R482-C596 VanDerWaalsContact CZ-SG 3.52Å; R482-C596 PolarHBondContact NE-SG 2.82Å; R482-C596 PolarHBondContact NH2-SG 3.2Å
483A67.3Low64.8Low0 Ų048.8 Ų48.80%026%0.264CS..Hα-helixtrans-63.8-33.1174.800000113.1P479 S485 L486 L487 F502 L594 P595P479-A483 PolarHBondContact O-N 3.46Å; P479-A483 VanDerWaalsContact O-N 3.1Å; A483-S485 PolarHBondContact O-N 2.86Å; A483-L486 PolarHBondContact O-N 2.82Å; A483-L487 HydrophobicContact CB-CD1 4.19Å; A483-F502 HydrophobicContact CB-CD1 4.44Å; A483-L594 HydrophobicContact CB-CD1 4.44Å; A483-P595 WeakPolarHBondContact CA-O 3.42Å
484G65Low62.7Low0 Ų057.1 Ų57.10%031%0.308CS..THydrogen-bonded Turntrans59-131.5178.900000111.8R482 F502R482-G484 VanDerWaalsContact C-N 3.3Å; R482-G484 PolarHBondContact O-N 3.46Å; G484-F502 WeakPolarHBondContact O-CB 3.31Å
485S60.1Low60.8Low43 Ų4361 Ų6130%0.30134%0.335SS..THydrogen-bonded Turntrans-86.7-8.3179.345.50000115A483 L487 N500 Q600A483-S485 PolarHBondContact O-N 2.86Å; S485-L487 VanDerWaalsContact C-N 3.31Å; S485-L487 PolarHBondContact O-N 3.26Å; S485-N500 PolarHBondContact O-ND2 3.35Å; S485-Q600 PolarHBondContact OG-NE2 2.96Å
486L59Low59Low81 Ų8165.6 Ų65.642%0.42436%0.357SS..  trans-79.4-3.1-162.7-67.3175.8000116A483 E488 P595 D597A483-L486 PolarHBondContact O-N 2.82Å; L486-E488 PolarHBondContact O-N 3.37Å; L486-P595 HydrophobicContact CB-CB 3.96Å; L486-P595 HydrophobicContact CB-CG 3.9Å; L486-P595 HydrophobicContact CD1-CB 3.97Å; L486-D597 HydrophobicContact CD1-CB 4.13Å; L486-D597 VanDerWaalsContact CD1-N 3.33Å; L486-D597 HydrophobicContact CG-CB 4.41Å
487L57.7Low57.7Low51 Ų5174.3 Ų74.327%0.26740%0.395SS..  trans-9283.6165.4-69.8175.2000108.7A483 S485 I489 N500 F502 L594 P595A483-L487 HydrophobicContact CB-CD1 4.19Å; S485-L487 VanDerWaalsContact C-N 3.31Å; S485-L487 PolarHBondContact O-N 3.26Å; L487-I489 PolarHBondContact O-N 3.23Å; L487-N500 PolarHBondContact O-ND2 3.1Å; L487-F502 HydrophobicContact CB-CD2 4.11Å; L487-F502 HydrophobicContact CB-CE2 3.67Å; L487-F502 HydrophobicContact CB-CZ 4.43Å; L487-F502 HydrophobicContact CD1-CD2 4.34Å; L487-F502 HydrophobicContact CD1-CE1 4.17Å; L487-F502 HydrophobicContact CD1-CE2 3.54Å; L487-F502 HydrophobicContact CD1-CZ 3.43Å; L487-F502 VanDerWaalsContact CD1-CZ 3.43Å; L487-F502 HydrophobicContact CG-CE2 4.24Å; L487-L594 HydrophobicContact CD1-CD2 4.13Å; L487-P595 HydrophobicContact CD2-CG 4.41Å
488E51.6Low56.2Low187 Ų18778.9 Ų78.987%0.87443%0.427SS*.  trans-62.9124.6165-68-174.216100108.9L486L486-E488 PolarHBondContact O-N 3.37Å
489I52.8Low55.3Low68 Ų6884.2 Ų84.235%0.34946%0.456SS..  trans-87.4118.4-178.1-41.4175000107.9L446 L487 Y491 P501L446-I489 HydrophobicContact CD1-CD1 4.23Å; L446-I489 HydrophobicContact CD1-CG1 4.3Å; L487-I489 PolarHBondContact O-N 3.23Å; I489-Y491 HydrophobicContact CB-CD2 4.29Å; I489-Y491 HydrophobicContact CG2-CD2 3.37Å; I489-Y491 HydrophobicContact CG2-CE2 3.73Å; I489-Y491 HydrophobicContact CG2-CG 4.29Å; I489-Y491 PolarHBondContact O-N 3.39Å; I489-P501 HydrophobicContact CD1-CG 4.39Å
490G48.2Very low55.3Low78 Ų7885.8 Ų85.880%0.80446%0.464SS*.  trans-70.840.3179.700000115.2N492G490-N492 PolarHBondContact O-N 2.98Å
491Y42Very low55.3Low174 Ų17486.9 Ų86.968%0.68247%0.471SS*.  trans-80.5105.6172-85.2-59.4000110.3I489 V493I489-Y491 HydrophobicContact CB-CD2 4.29Å; I489-Y491 HydrophobicContact CG2-CD2 3.37Å; I489-Y491 HydrophobicContact CG2-CE2 3.73Å; I489-Y491 HydrophobicContact CG2-CG 4.29Å; I489-Y491 PolarHBondContact O-N 3.39Å; Y491-V493 PolarHBondContact O-N 3.46Å
492N34.9Very low55.4Low166 Ų16686.9 Ų86.989%0.88847%0.471SS*.  trans-72.473.8166.2-67.4-19.7000110.3G490G490-N492 PolarHBondContact O-N 2.98Å
493V40.6Very low55.7Low104 Ų10488.4 Ų88.463%0.6348%0.48SS*.  trans-144.6129.2169.6-1710000109.9Y491 S495Y491-V493 PolarHBondContact O-N 3.46Å; V493-S495 VanDerWaalsContact C-N 3.28Å; V493-S495 PolarHBondContact O-N 3.49Å
494D39.6Very low56.3Low174 Ų17493.7 Ų93.793%0.9351%0.505SS*.  trans-76.856.6-171-51.1-89.2000114.9
495S42.1Very low57.2Low81 Ų8193.9 Ų93.957%0.56651%0.506SS*.  trans-102.7111.2174.866.40000112.7V493V493-S495 VanDerWaalsContact C-N 3.28Å; V493-S495 PolarHBondContact O-N 3.49Å
496E38.3Very low58.3Low154 Ų15492.2 Ų92.272%0.7249%0.493SS*.THydrogen-bonded Turntrans-61145.1178-60-169.2163.500113.9S498E496-S498 PolarHBondContact O-N 2.88Å
497K48.8Very low59.5Low183 Ų18391.9 Ų91.980%0.79649%0.491SS*.THydrogen-bonded Turntrans62.826.4156.2-60157.3-174.7140.60117.6D499K497-D499 PolarHBondContact O-N 3.31Å
498S53.5Low60.9Low96 Ų9693.8 Ų93.867%0.67149%0.494SS*.  trans-75.2108.7165.860.90000111.2E496 N500E496-S498 PolarHBondContact O-N 2.88Å; S498-N500 PolarHBondContact O-N 3.43Å
499D60.9Low62.6Low113 Ų11385 Ų8560%0.60445%0.453SS*.  trans-55.8133.8175.5-86.8-41.6000111.9K497 Q504K497-D499 PolarHBondContact O-N 3.31Å; D499-Q504 HydrophobicContact CB-CG 3.97Å; D499-Q504 PolarHBondContact O-NE2 3.13Å
500N72.9Confident64.2Low34 Ų3482.9 Ų82.918%0.18244%0.442CS..  trans-56.8124.7-179.5-176.5-36.8000110.8S485 L487 S498 F502 N503 Q504S485-N500 PolarHBondContact O-ND2 3.35Å; L487-N500 PolarHBondContact O-ND2 3.1Å; S498-N500 PolarHBondContact O-N 3.43Å; N500-F502 VanDerWaalsContact C-N 3.26Å; N500-F502 PolarHBondContact O-N 3.11Å; N500-F502 WeakPolarHBondContact OD1-CB 3.16Å; N500-F502 VanDerWaalsContact OD1-CD2 3.25Å; N500-F502 WeakPolarHBondContact OD1-CD2 3.29Å; N500-F502 PolarHBondContact OD1-N 2.91Å; N500-F502 VanDerWaalsContact OD1-N 3.07Å; N500-N503 HydrophobicContact CB-CB 4.42Å; N500-N503 WeakPolarHBondContact O-CA 3.44Å; N500-N503 WeakPolarHBondContact O-CB 3.5Å; N500-N503 PolarHBondContact O-N 3.25Å; N500-Q504 PolarHBondContact O-N 3.45Å; N500-Q504 VanDerWaalsContact O-N 3.12Å
501P77.4Confident66.1Low23 Ų2381.8 Ų81.815%0.14942%0.422CS..Hα-helixtrans-60.4-31.4-173.223.6-34.8000113.6A449 I450 I489 N503 Q504 V505A449-P501 HydrophobicContact CB-CB 4.22Å; A449-P501 HydrophobicContact CB-CG 4.36Å; I450-P501 HydrophobicContact CG1-CG 4.45Å; I489-P501 HydrophobicContact CD1-CG 4.39Å; P501-N503 VanDerWaalsContact C-N 3.3Å; P501-N503 PolarHBondContact O-N 2.88Å; P501-Q504 PolarHBondContact O-N 3.41Å; P501-V505 WeakPolarHBondContact O-CG2 3.12Å; P501-V505 PolarHBondContact O-N 2.71Å
502F79.4Confident68.4Low0 Ų073.9 Ų73.90%039%0.392CS..Hα-helixtrans-62.4-38.4173.9-63.9-72.8000111.7P445 L446 A449 L480 A483 G484 L487 N500 R506P445-F502 HydrophobicContact CB-CE1 4.2Å; L446-F502 HydrophobicContact CB-CZ 4.23Å; L446-F502 HydrophobicContact CD1-CE2 3.77Å; L446-F502 HydrophobicContact CD1-CZ 3.97Å; A449-F502 HydrophobicContact CB-CD1 3.78Å; A449-F502 HydrophobicContact CB-CE1 3.6Å; A449-F502 HydrophobicContact CB-CE2 4.49Å; A449-F502 HydrophobicContact CB-CG 4.32Å; A449-F502 HydrophobicContact CB-CZ 3.97Å; L480-F502 HydrophobicContact CB-CD1 4.07Å; L480-F502 HydrophobicContact CD2-CD1 3.95Å; L480-F502 HydrophobicContact CD2-CE1 3.67Å; A483-F502 HydrophobicContact CB-CD1 4.44Å; G484-F502 WeakPolarHBondContact O-CB 3.31Å; L487-F502 HydrophobicContact CB-CD2 4.11Å; L487-F502 HydrophobicContact CB-CE2 3.67Å; L487-F502 HydrophobicContact CB-CZ 4.43Å; L487-F502 HydrophobicContact CD1-CD2 4.34Å; L487-F502 HydrophobicContact CD1-CE1 4.17Å; L487-F502 HydrophobicContact CD1-CE2 3.54Å; L487-F502 HydrophobicContact CD1-CZ 3.43Å; L487-F502 VanDerWaalsContact CD1-CZ 3.43Å; L487-F502 HydrophobicContact CG-CE2 4.24Å; N500-F502 VanDerWaalsContact C-N 3.26Å; N500-F502 PolarHBondContact O-N 3.11Å; N500-F502 WeakPolarHBondContact OD1-CB 3.16Å; N500-F502 VanDerWaalsContact OD1-CD2 3.25Å; N500-F502 WeakPolarHBondContact OD1-CD2 3.29Å; N500-F502 PolarHBondContact OD1-N 2.91Å; N500-F502 VanDerWaalsContact OD1-N 3.07Å; F502-R506 WeakPolarHBondContact O-CB 3.38Å; F502-R506 PolarHBondContact O-N 3.13Å; F502-R506 VanDerWaalsContact O-N 3.16Å
503N77.2Confident70.9Confident46 Ų4666 Ų6625%0.24635%0.35CS..Hα-helixtrans-71.9-39.1177.3-167.333.8000112N500 P501 V505 R506 M507N500-N503 HydrophobicContact CB-CB 4.42Å; N500-N503 WeakPolarHBondContact O-CA 3.44Å; N500-N503 WeakPolarHBondContact O-CB 3.5Å; N500-N503 PolarHBondContact O-N 3.25Å; P501-N503 VanDerWaalsContact C-N 3.3Å; P501-N503 PolarHBondContact O-N 2.88Å; N503-V505 PolarHBondContact O-N 2.92Å; N503-R506 PolarHBondContact O-N 2.85Å; N503-M507 WeakPolarHBondContact O-CB 3.28Å; N503-M507 WeakPolarHBondContact O-CG 3.31Å; N503-M507 PolarHBondContact O-N 3.45Å
504Q81.5Confident73.1Confident111 Ų11162.3 Ų62.352%0.51933%0.328SS..Hα-helixtrans-56.4-49.3176.2-61.4-175.228.600111.4D499 N500 P501 M507 R508D499-Q504 HydrophobicContact CB-CG 3.97Å; D499-Q504 PolarHBondContact O-NE2 3.13Å; N500-Q504 PolarHBondContact O-N 3.45Å; N500-Q504 VanDerWaalsContact O-N 3.12Å; P501-Q504 PolarHBondContact O-N 3.41Å; Q504-M507 PolarHBondContact O-N 2.84Å; Q504-R508 WeakPolarHBondContact O-CB 3.35Å; Q504-R508 PolarHBondContact O-N 3.39Å
505V83.1Confident75.4Confident5 Ų560 Ų603%0.0331%0.31CS..Hα-helixtrans-62.1-45.6177.5176.60000111.5A452 P501 N503 L509A452-V505 HydrophobicContact CB-CG2 3.37Å; P501-V505 WeakPolarHBondContact O-CG2 3.12Å; P501-V505 PolarHBondContact O-N 2.71Å; N503-V505 PolarHBondContact O-N 2.92Å; V505-L509 WeakPolarHBondContact O-CB 3.47Å; V505-L509 PolarHBondContact O-N 3.05Å
506R83.6Confident77.5Confident8 Ų856.5 Ų56.53%0.0329%0.286CS..Hα-helixtrans-57.6-52.4177.7177.6173173.4126.6-7.2111.1I481 F502 N503 L509 I510 Q600 N601I481-R506 HydrophobicContact CG2-CG 4.36Å; I481-R506 PolarHBondContact O-NH1 2.81Å; F502-R506 WeakPolarHBondContact O-CB 3.38Å; F502-R506 PolarHBondContact O-N 3.13Å; F502-R506 VanDerWaalsContact O-N 3.16Å; N503-R506 PolarHBondContact O-N 2.85Å; R506-L509 PolarHBondContact O-N 3.3Å; R506-I510 HydrophobicContact CG-CD1 3.61Å; R506-I510 VanDerWaalsContact O-CD1 3.27Å; R506-I510 WeakPolarHBondContact O-CD1 3.3Å; R506-I510 WeakPolarHBondContact O-CG1 3.28Å; R506-I510 PolarHBondContact O-N 2.93Å; R506-Q600 PolarHBondContact NH2-O 3.32Å; R506-N601 PolarHBondContact NH1-OD1 3.16Å; R506-N601 PolarHBondContact NH2-OD1 2.98Å
507M83.7Confident79.7Confident74 Ų7449.2 Ų49.237%0.36525%0.252SS..Hα-helixtrans-64.3-44-178.3-72.1-62.8-75.200112.8N503 Q504 I510 S511 L559N503-M507 WeakPolarHBondContact O-CB 3.28Å; N503-M507 WeakPolarHBondContact O-CG 3.31Å; N503-M507 PolarHBondContact O-N 3.45Å; Q504-M507 PolarHBondContact O-N 2.84Å; M507-I510 PolarHBondContact O-N 2.9Å; M507-S511 WeakPolarHBondContact O-CB 3.24Å; M507-S511 PolarHBondContact O-N 3.39Å; M507-L559 HydrophobicContact CE-CB 3.89Å; M507-L559 HydrophobicContact CE-CD2 3.77Å; M507-L559 HydrophobicContact CE-CG 4.48Å; M507-L559 HydrophobicContact SD-CD2 3.58Å; M507-L559 VanDerWaalsContact SD-CD2 3.58Å
508R87.2Confident81.4Confident91 Ų9145.8 Ų45.834%0.34324%0.239SC..Hα-helixtrans-61.6-47.8178.1-165.6177-160.9123.45.8111.4D456 I459 D460 Q504 S511 N512D456-R508 VanDerWaalsContact CG-CZ 3.46Å; D456-R508 WeakPolarHBondContact OD1-CD 3.19Å; D456-R508 IonicContact OD1-CZ 3.63Å; D456-R508 IonicContact OD1-NE 2.81Å; D456-R508 IonicContact OD1-NH1 3.29Å; D456-R508 IonicContact OD2-CZ 2.7Å; D456-R508 IonicContact OD2-NH1 3.62Å; D456-R508 PolarHBondContact OD2-NH1 2.65Å; I459-R508 HydrophobicContact CG2-CB 4.47Å; I459-R508 HydrophobicContact CG2-CG 4.12Å; D460-R508 IonicContact OD1-CZ 3.45Å; D460-R508 IonicContact OD1-NE 3.42Å; D460-R508 PolarHBondContact OD1-NE 3.12Å; D460-R508 IonicContact OD1-NH2 3.69Å; D460-R508 PolarHBondContact OD1-NH2 3.34Å; D460-R508 IonicContact OD2-CZ 2.75Å; D460-R508 IonicContact OD2-NE 2.76Å; D460-R508 IonicContact OD2-NH2 2.67Å; D460-R508 PolarHBondContact OD2-NH2 3.11Å; Q504-R508 WeakPolarHBondContact O-CB 3.35Å; Q504-R508 PolarHBondContact O-N 3.39Å; R508-S511 PolarHBondContact O-N 2.81Å; R508-N512 PolarHBondContact O-N 2.74Å; R508-N512 PolarHBondContact O-ND2 3.11Å; R508-N512 VanDerWaalsContact O-ND2 3.13Å
509L87.7Confident82.7Confident1 Ų142.4 Ų42.41%0.00522%0.215CC..Hα-helixtrans-61-48.5178.7178.664.6000112.2I459 I462 V474 I481 V505 R506 S511 N512 L513I459-L509 HydrophobicContact CG2-CB 4.09Å; I459-L509 HydrophobicContact CG2-CD1 4.14Å; I462-L509 HydrophobicContact CD1-CD1 3.63Å; V474-L509 HydrophobicContact CG1-CD2 4.38Å; V474-L509 HydrophobicContact CG2-CD1 3.96Å; V474-L509 HydrophobicContact CG2-CD2 4.11Å; I481-L509 HydrophobicContact CD1-CD2 3.33Å; I481-L509 HydrophobicContact CG1-CD2 4.11Å; V505-L509 WeakPolarHBondContact O-CB 3.47Å; V505-L509 PolarHBondContact O-N 3.05Å; R506-L509 PolarHBondContact O-N 3.3Å; L509-S511 PolarHBondContact O-N 2.96Å; L509-N512 PolarHBondContact O-N 2.87Å; L509-L513 HydrophobicContact CD1-CD1 4.04Å; L509-L513 HydrophobicContact CD1-CG 4.02Å; L509-L513 HydrophobicContact CG-CD1 3.94Å; L509-L513 HydrophobicContact CG-CG 4.31Å; L509-L513 WeakPolarHBondContact O-CB 3.47Å; L509-L513 WeakPolarHBondContact O-CG 3.42Å; L509-L513 PolarHBondContact O-N 3.44Å
510I85.5Confident83.4Confident24 Ų2441.2 Ų41.212%0.12321%0.214CC..Hα-helixtrans-61.7-45-179.3-65.3158.7000110.4R506 M507 N512 L513 C514 L604R506-I510 HydrophobicContact CG-CD1 3.61Å; R506-I510 VanDerWaalsContact O-CD1 3.27Å; R506-I510 WeakPolarHBondContact O-CD1 3.3Å; R506-I510 WeakPolarHBondContact O-CG1 3.28Å; R506-I510 PolarHBondContact O-N 2.93Å; M507-I510 PolarHBondContact O-N 2.9Å; I510-N512 VanDerWaalsContact C-N 3.33Å; I510-N512 PolarHBondContact O-N 2.93Å; I510-L513 PolarHBondContact O-N 2.81Å; I510-C514 WeakPolarHBondContact O-CB 3.28Å; I510-C514 PolarHBondContact O-N 3.15Å; I510-C514 PolarHBondContact O-SG 3.18Å; I510-L604 HydrophobicContact CD1-CD1 3.68Å; I510-L604 HydrophobicContact CD1-CD2 3.54Å; I510-L604 HydrophobicContact CD1-CG 4.28Å; I510-L604 HydrophobicContact CG1-CD1 4.05Å; I510-L604 HydrophobicContact CG1-CD2 4.31Å; I510-L604 HydrophobicContact CG2-CD1 3.94Å
511S88Confident83.8Confident56 Ų5647.3 Ų47.339%0.39223%0.234SC..Hα-helixtrans-56.5-46.1176.3-172.90000112M507 R508 L509 C514 K515M507-S511 WeakPolarHBondContact O-CB 3.24Å; M507-S511 PolarHBondContact O-N 3.39Å; R508-S511 PolarHBondContact O-N 2.81Å; L509-S511 PolarHBondContact O-N 2.96Å; S511-C514 WeakPolarHBondContact O-CB 3.3Å; S511-C514 PolarHBondContact O-N 3.16Å; S511-K515 WeakPolarHBondContact O-CG 3.27Å; S511-K515 PolarHBondContact O-N 3.15Å; S511-K515 VanDerWaalsContact O-N 3.08Å; S511-K515 WeakPolarHBondContact OG-CE 3.36Å; S511-K515 PolarHBondContact OG-NZ 3.48Å
512N89.6Confident83.9Confident8 Ų847.5 Ų47.54%0.04323%0.233CC..Hα-helixtrans-75.1-33.3-177.9-66.3-31.5000113.3I459 D460 I462 R508 L509 I510 C514 K515 A516I459-N512 WeakPolarHBondContact O-CB 3.44Å; I459-N512 PolarHBondContact O-ND2 3Å; D460-N512 VanDerWaalsContact CA-ND2 3.32Å; D460-N512 WeakPolarHBondContact CA-ND2 3.29Å; D460-N512 PolarHBondContact OD1-ND2 3.1Å; I462-N512 HydrophobicContact CG2-CB 4.31Å; R508-N512 PolarHBondContact O-N 2.74Å; R508-N512 PolarHBondContact O-ND2 3.11Å; R508-N512 VanDerWaalsContact O-ND2 3.13Å; L509-N512 PolarHBondContact O-N 2.87Å; I510-N512 VanDerWaalsContact C-N 3.33Å; I510-N512 PolarHBondContact O-N 2.93Å; N512-C514 VanDerWaalsContact C-N 3.33Å; N512-K515 PolarHBondContact O-N 3.42Å; N512-K515 PolarHBondContact OD1-NZ 3.24Å; N512-A516 VanDerWaalsContact O-CB 3.31Å; N512-A516 WeakPolarHBondContact O-CB 3.2Å; N512-A516 PolarHBondContact O-N 3.29Å
513L88.9Confident84Confident1 Ų152.2 Ų52.21%0.00526%0.264CS..Hα-helixtrans-62.9-38.9168.8-71.8177.6000111.7I462 L509 I510 A516 A517 C531 L532 L535I462-L513 HydrophobicContact CD1-CD2 4Å; I462-L513 HydrophobicContact CG2-CD2 4.17Å; L509-L513 HydrophobicContact CD1-CD1 4.04Å; L509-L513 HydrophobicContact CD1-CG 4.02Å; L509-L513 HydrophobicContact CG-CD1 3.94Å; L509-L513 HydrophobicContact CG-CG 4.31Å; L509-L513 WeakPolarHBondContact O-CB 3.47Å; L509-L513 WeakPolarHBondContact O-CG 3.42Å; L509-L513 PolarHBondContact O-N 3.44Å; I510-L513 PolarHBondContact O-N 2.81Å; L513-A516 PolarHBondContact O-N 3.4Å; L513-A517 VanDerWaalsContact O-CB 3.27Å; L513-A517 WeakPolarHBondContact O-CB 3.39Å; L513-A517 PolarHBondContact O-N 2.87Å; L513-C531 HydrophobicContact CD1-CB 3.97Å; L513-C531 HydrophobicContact CD2-CB 3.47Å; L513-C531 VanDerWaalsContact CD2-CB 3.47Å; L513-C531 HydrophobicContact CG-CB 4.4Å; L513-L532 HydrophobicContact CB-CD2 4.11Å; L513-L532 HydrophobicContact CB-CG 4.43Å; L513-L532 HydrophobicContact CD1-CD2 4.25Å; L513-L535 HydrophobicContact CD1-CD1 3.87Å
514C86.7Confident84.4Confident25 Ų2550.3 Ų50.317%0.16926%0.255CS..Hα-helixtrans-64.4-39.9175-67.40000112.5I510 S511 N512 Q518 I611I510-C514 WeakPolarHBondContact O-CB 3.28Å; I510-C514 PolarHBondContact O-N 3.15Å; I510-C514 PolarHBondContact O-SG 3.18Å; S511-C514 WeakPolarHBondContact O-CB 3.3Å; S511-C514 PolarHBondContact O-N 3.16Å; N512-C514 VanDerWaalsContact C-N 3.33Å; C514-Q518 WeakPolarHBondContact O-CG 3.47Å; C514-Q518 PolarHBondContact O-N 3.37Å; C514-Q518 PolarHBondContact O-NE2 3.37Å; C514-I611 VanDerWaalsContact SG-CD1 3.51Å
515K87.7Confident84.5Confident125 Ų12545.7 Ų45.754%0.54323%0.233SC..Hα-helixtrans-64.2-48.2172.4-64.1165.5-157.3165.60111S511 N512 A517 Q518 S519S511-K515 WeakPolarHBondContact O-CG 3.27Å; S511-K515 PolarHBondContact O-N 3.15Å; S511-K515 VanDerWaalsContact O-N 3.08Å; S511-K515 WeakPolarHBondContact OG-CE 3.36Å; S511-K515 PolarHBondContact OG-NZ 3.48Å; N512-K515 PolarHBondContact O-N 3.42Å; N512-K515 PolarHBondContact OD1-NZ 3.24Å; K515-A517 VanDerWaalsContact C-N 3.29Å; K515-A517 PolarHBondContact O-N 2.83Å; K515-Q518 PolarHBondContact O-N 2.7Å; K515-Q518 VanDerWaalsContact O-N 3.09Å; K515-S519 PolarHBondContact O-N 3.3Å; K515-S519 VanDerWaalsContact O-N 3.15Å
516A86.1Confident84.6Confident8 Ų846.1 Ų46.17%0.06624%0.236CC..Hα-helixtrans-64.2-31.7-178.900000113.1N512 L513 Q518 S519 S524 A528N512-A516 VanDerWaalsContact O-CB 3.31Å; N512-A516 WeakPolarHBondContact O-CB 3.2Å; N512-A516 PolarHBondContact O-N 3.29Å; L513-A516 PolarHBondContact O-N 3.4Å; A516-Q518 VanDerWaalsContact C-N 3.34Å; A516-S519 VanDerWaalsContact O-CB 3.26Å; A516-S519 WeakPolarHBondContact O-CB 3.43Å; A516-S519 PolarHBondContact O-N 2.98Å; A516-S524 WeakPolarHBondContact CA-OG 3.25Å; A516-S524 CarbonylContact O-C 3.6Å; A516-S524 PolarHBondContact O-OG 2.98Å; A516-A528 HydrophobicContact CB-CB 3.84Å
517A84.6Confident84.5Confident1 Ų145.9 Ų45.91%0.00824%0.235CC..Hα-helixtrans-69.2-27.9173.300000113.7L513 K515 A528 L532 I611 I615L513-A517 VanDerWaalsContact O-CB 3.27Å; L513-A517 WeakPolarHBondContact O-CB 3.39Å; L513-A517 PolarHBondContact O-N 2.87Å; K515-A517 VanDerWaalsContact C-N 3.29Å; K515-A517 PolarHBondContact O-N 2.83Å; A517-A528 HydrophobicContact CB-CB 3.86Å; A517-A528 VanDerWaalsContact N-CB 3.34Å; A517-L532 HydrophobicContact CB-CD1 4.29Å; A517-I611 HydrophobicContact CB-CG2 4.15Å; A517-I615 HydrophobicContact CB-CD1 4.2Å
518Q83.7Confident84.7Confident112 Ų11242.4 Ų42.452%0.52322%0.218SC..Hα-helixtrans-91.9-8.3178.4-66.6177.452.200113.2C514 K515 A516C514-Q518 WeakPolarHBondContact O-CG 3.47Å; C514-Q518 PolarHBondContact O-N 3.37Å; C514-Q518 PolarHBondContact O-NE2 3.37Å; K515-Q518 PolarHBondContact O-N 2.7Å; K515-Q518 VanDerWaalsContact O-N 3.09Å; A516-Q518 VanDerWaalsContact C-N 3.34Å
519S81.9Confident84.7Confident25 Ų2538.1 Ų38.118%0.17520%0.202CC..  trans-58.3141.8177.7-1760000112.7K515 A516 R521 S524 R525K515-S519 PolarHBondContact O-N 3.3Å; K515-S519 VanDerWaalsContact O-N 3.15Å; A516-S519 VanDerWaalsContact O-CB 3.26Å; A516-S519 WeakPolarHBondContact O-CB 3.43Å; A516-S519 PolarHBondContact O-N 2.98Å; S519-R521 PolarHBondContact O-N 2.95Å; S519-R521 PolarHBondContact OG-N 3.43Å; S519-S524 WeakPolarHBondContact CB-OG 3.38Å; S519-S524 PolarHBondContact OG-OG 2.98Å; S519-R525 WeakPolarHBondContact O-CD 3.49Å; S519-R525 WeakPolarHBondContact O-CG 3.38Å
520P75.8Confident84.3Confident88 Ų8839.7 Ų39.757%0.57122%0.215SC*.SBendtrans-69.1-19.1172.129-35000112.8I522P520-I522 PolarHBondContact O-N 2.81Å
521R80.2Confident84.2Confident161 Ų16138.5 Ų38.561%0.60821%0.209SC*.  trans-76.5121.4-178.1-66.6-179.8178.2160.80.1110.8S519 S524 R525S519-R521 PolarHBondContact O-N 2.95Å; S519-R521 PolarHBondContact OG-N 3.43Å; R521-S524 VanDerWaalsContact O-CB 3.31Å; R521-S524 WeakPolarHBondContact O-CB 3.46Å; R521-S524 PolarHBondContact O-N 3.41Å; R521-S524 VanDerWaalsContact O-N 3.15Å; R521-R525 PolarHBondContact O-N 3.01Å
522I79.9Confident84.2Confident27 Ų2735.9 Ų35.914%0.13819%0.191CC..Hα-helixtrans-59.4-42.7179.2-66.9147000113.3P520 S524 R525 C526 A630 D631 V636P520-I522 PolarHBondContact O-N 2.81Å; I522-S524 VanDerWaalsContact C-N 3.28Å; I522-S524 PolarHBondContact O-N 2.78Å; I522-R525 PolarHBondContact O-N 2.83Å; I522-R525 VanDerWaalsContact O-N 3.09Å; I522-C526 WeakPolarHBondContact O-CB 3.21Å; I522-C526 PolarHBondContact O-N 2.78Å; I522-A630 HydrophobicContact CD1-CB 3.45Å; I522-A630 VanDerWaalsContact CD1-CB 3.45Å; I522-A630 WeakPolarHBondContact CD1-O 3.19Å; I522-D631 HydrophobicContact CD1-CB 3.61Å; I522-D631 HydrophobicContact CG1-CB 4.17Å; I522-V636 HydrophobicContact CG2-CG2 3.99Å
523P81.1Confident83.9Confident100 Ų10035.8 Ų35.865%0.64919%0.19SC*.Hα-helixtrans-56.7-41174.3-27.436.2000112.9C526 A527P523-C526 PolarHBondContact O-N 3.44Å; P523-A527 WeakPolarHBondContact O-CB 3.42Å; P523-A527 PolarHBondContact O-N 2.81Å
524S85.1Confident83.4Confident6 Ų636.9 Ų36.94%0.04220%0.196CC..Hα-helixtrans-62.3-43.9174.4179.90000112G463 A516 S519 R521 I522 A527 A528G463-S524 WeakPolarHBondContact O-CA 3.32Å; G463-S524 VanDerWaalsContact O-CB 3.24Å; G463-S524 WeakPolarHBondContact O-CB 3.44Å; A516-S524 WeakPolarHBondContact CA-OG 3.25Å; A516-S524 CarbonylContact O-C 3.6Å; A516-S524 PolarHBondContact O-OG 2.98Å; S519-S524 WeakPolarHBondContact CB-OG 3.38Å; S519-S524 PolarHBondContact OG-OG 2.98Å; R521-S524 VanDerWaalsContact O-CB 3.31Å; R521-S524 WeakPolarHBondContact O-CB 3.46Å; R521-S524 PolarHBondContact O-N 3.41Å; R521-S524 VanDerWaalsContact O-N 3.15Å; I522-S524 VanDerWaalsContact C-N 3.28Å; I522-S524 PolarHBondContact O-N 2.78Å; S524-A527 PolarHBondContact O-N 3.32Å; S524-A528 VanDerWaalsContact O-CB 3.32Å; S524-A528 WeakPolarHBondContact O-CB 3.15Å; S524-A528 PolarHBondContact O-N 3.23Å
525R85.4Confident83.2Confident14 Ų1435.7 Ų35.75%0.05319%0.188CC..Hα-helixtrans-67.2-40.9177.1-67-168.2-67.4170.23.8112S519 R521 I522 A528 V529 V636S519-R525 WeakPolarHBondContact O-CD 3.49Å; S519-R525 WeakPolarHBondContact O-CG 3.38Å; R521-R525 PolarHBondContact O-N 3.01Å; I522-R525 PolarHBondContact O-N 2.83Å; I522-R525 VanDerWaalsContact O-N 3.09Å; R525-A528 PolarHBondContact O-N 2.96Å; R525-V529 VanDerWaalsContact O-CB 3.25Å; R525-V529 WeakPolarHBondContact O-CB 3.43Å; R525-V529 VanDerWaalsContact O-CG2 3.23Å; R525-V529 WeakPolarHBondContact O-CG2 3.24Å; R525-V529 PolarHBondContact O-N 3.46Å; R525-V636 HydrophobicContact CB-CG1 4.49Å; R525-V636 HydrophobicContact CB-CG2 4.3Å
526C83.3Confident83Confident14 Ų1429.7 Ų29.710%0.09516%0.162CC..Hα-helixtrans-63.9-44.1174.7-74.30000111.9I522 P523 V529 A530I522-C526 WeakPolarHBondContact O-CB 3.21Å; I522-C526 PolarHBondContact O-N 2.78Å; P523-C526 PolarHBondContact O-N 3.44Å; C526-V529 PolarHBondContact O-N 3.13Å; C526-A530 VanDerWaalsContact O-CB 3.28Å; C526-A530 WeakPolarHBondContact O-CB 3.32Å; C526-A530 PolarHBondContact O-N 3.03Å
527A83Confident82.5Confident2 Ų230.5 Ų30.52%0.01716%0.163CC..Hα-helixtrans-60.4-48.7174.500000111.5L467 P523 S524 A530 C531L467-A527 HydrophobicContact CD1-CB 4.27Å; P523-A527 WeakPolarHBondContact O-CB 3.42Å; P523-A527 PolarHBondContact O-N 2.81Å; S524-A527 PolarHBondContact O-N 3.32Å; A527-A530 PolarHBondContact O-N 3.37Å; A527-C531 WeakPolarHBondContact O-CB 3.24Å; A527-C531 PolarHBondContact O-N 3.21Å; A527-C531 PolarHBondContact O-SG 3.47Å
528A88.3Confident81.9Confident1 Ų131.3 Ų31.31%0.00817%0.167CC..Hα-helixtrans-60.4-50176.800000112A516 A517 S524 R525 A530 C531 L532A516-A528 HydrophobicContact CB-CB 3.84Å; A517-A528 HydrophobicContact CB-CB 3.86Å; A517-A528 VanDerWaalsContact N-CB 3.34Å; S524-A528 VanDerWaalsContact O-CB 3.32Å; S524-A528 WeakPolarHBondContact O-CB 3.15Å; S524-A528 PolarHBondContact O-N 3.23Å; R525-A528 PolarHBondContact O-N 2.96Å; A528-A530 PolarHBondContact O-N 2.8Å; A528-C531 PolarHBondContact O-N 3.44Å; A528-L532 VanDerWaalsContact O-CB 3.3Å; A528-L532 WeakPolarHBondContact O-CB 3.26Å; A528-L532 WeakPolarHBondContact O-CG 3.39Å; A528-L532 PolarHBondContact O-N 2.87Å
529V86.1Confident81.4Confident2 Ų226 Ų261%0.01214%0.142CC..Hα-helixtrans-57-46.2177162.30000111.4R525 C526 L532 I533 L612 I615 V636 I640R525-V529 VanDerWaalsContact O-CB 3.25Å; R525-V529 WeakPolarHBondContact O-CB 3.43Å; R525-V529 VanDerWaalsContact O-CG2 3.23Å; R525-V529 WeakPolarHBondContact O-CG2 3.24Å; R525-V529 PolarHBondContact O-N 3.46Å; C526-V529 PolarHBondContact O-N 3.13Å; V529-L532 PolarHBondContact O-N 3.37Å; V529-I533 HydrophobicContact CG1-CD1 3.67Å; V529-I533 VanDerWaalsContact O-CB 3.25Å; V529-I533 WeakPolarHBondContact O-CB 3.34Å; V529-I533 VanDerWaalsContact O-CG1 3.23Å; V529-I533 WeakPolarHBondContact O-CG1 3.15Å; V529-I533 PolarHBondContact O-N 3.27Å; V529-L612 HydrophobicContact CG1-CD2 4.48Å; V529-L612 HydrophobicContact CG2-CD2 4.12Å; V529-I615 HydrophobicContact CG2-CD1 3.93Å; V529-V636 HydrophobicContact CG2-CG1 4.29Å; V529-I640 HydrophobicContact CB-CG1 4.49Å; V529-I640 HydrophobicContact CG1-CG1 3.56Å; V529-I640 HydrophobicContact CG2-CD1 4.14Å; V529-I640 HydrophobicContact CG2-CG1 4.03Å
530A80.1Confident80.7Confident33 Ų3328.6 Ų28.627%0.27315%0.151SC..Hα-helixtrans-64.4-41.9179.800000112.2L467 T471 C526 A527 A528 L534L467-A530 HydrophobicContact CD1-CB 3.8Å; T471-A530 HydrophobicContact CG2-CB 3.56Å; C526-A530 VanDerWaalsContact O-CB 3.28Å; C526-A530 WeakPolarHBondContact O-CB 3.32Å; C526-A530 PolarHBondContact O-N 3.03Å; A527-A530 PolarHBondContact O-N 3.37Å; A528-A530 PolarHBondContact O-N 2.8Å; A530-L534 WeakPolarHBondContact O-CB 3.25Å; A530-L534 PolarHBondContact O-N 2.94Å
531C83Confident80.1Confident0 Ų024.5 Ų24.50%012%0.124CC..Hα-helixtrans-67.9-43176.8-65.20000112.5S470 V474 L513 A527 A528 I533 L534 L535S470-C531 PolarHBondContact O-SG 2.78Å; V474-C531 HydrophobicContact CB-CB 4.49Å; V474-C531 HydrophobicContact CG2-CB 4.01Å; L513-C531 HydrophobicContact CD1-CB 3.97Å; L513-C531 HydrophobicContact CD2-CB 3.47Å; L513-C531 VanDerWaalsContact CD2-CB 3.47Å; L513-C531 HydrophobicContact CG-CB 4.4Å; A527-C531 WeakPolarHBondContact O-CB 3.24Å; A527-C531 PolarHBondContact O-N 3.21Å; A527-C531 PolarHBondContact O-SG 3.47Å; A528-C531 PolarHBondContact O-N 3.44Å; C531-I533 VanDerWaalsContact C-N 3.34Å; C531-I533 PolarHBondContact O-N 3.14Å; C531-L534 WeakPolarHBondContact O-CB 3.36Å; C531-L534 PolarHBondContact O-N 3.09Å; C531-L535 WeakPolarHBondContact O-CG 3.32Å; C531-L535 PolarHBondContact O-N 3.35Å
532L87.7Confident79Confident1 Ų118.7 Ų18.71%0.00511%0.107CC..Hα-helixtrans-62.7-41176.1-71.3170.2000111.6L513 A517 A528 V529 L535 L536 I608 I611L513-L532 HydrophobicContact CB-CD2 4.11Å; L513-L532 HydrophobicContact CB-CG 4.43Å; L513-L532 HydrophobicContact CD1-CD2 4.25Å; A517-L532 HydrophobicContact CB-CD1 4.29Å; A528-L532 VanDerWaalsContact O-CB 3.3Å; A528-L532 WeakPolarHBondContact O-CB 3.26Å; A528-L532 WeakPolarHBondContact O-CG 3.39Å; A528-L532 PolarHBondContact O-N 2.87Å; V529-L532 PolarHBondContact O-N 3.37Å; L532-L535 PolarHBondContact O-N 3.26Å; L532-L536 WeakPolarHBondContact O-CG 3.44Å; L532-L536 PolarHBondContact O-N 3.28Å; L532-L536 VanDerWaalsContact O-N 3.08Å; L532-I608 HydrophobicContact CB-CG2 3.84Å; L532-I608 HydrophobicContact CD2-CD1 4.22Å; L532-I608 HydrophobicContact CD2-CG1 3.9Å; L532-I608 HydrophobicContact CD2-CG2 3.98Å; L532-I608 HydrophobicContact CG-CG2 4.39Å; L532-I611 HydrophobicContact CD1-CG2 4.23Å
533I84Confident77.6Confident6 Ų619.3 Ų19.33%0.03111%0.112CC..Hα-helixtrans-69.2-33.1175.1-73.4175.5000111.5V529 C531 K537 L612 V647V529-I533 HydrophobicContact CG1-CD1 3.67Å; V529-I533 VanDerWaalsContact O-CB 3.25Å; V529-I533 WeakPolarHBondContact O-CB 3.34Å; V529-I533 VanDerWaalsContact O-CG1 3.23Å; V529-I533 WeakPolarHBondContact O-CG1 3.15Å; V529-I533 PolarHBondContact O-N 3.27Å; C531-I533 VanDerWaalsContact C-N 3.34Å; C531-I533 PolarHBondContact O-N 3.14Å; I533-K537 WeakPolarHBondContact O-CG 3.21Å; I533-K537 PolarHBondContact O-N 2.97Å; I533-L612 HydrophobicContact CG1-CD1 3.99Å; I533-L612 HydrophobicContact CG1-CD2 4.5Å; I533-V647 HydrophobicContact CG2-CG2 3.91Å
534L78.8Confident76.1Confident23 Ų2321.3 Ų21.312%0.1212%0.116CC..Hα-helixtrans-64.4-42.8171.1-178.362.4000111.5V474 H475 A530 C531 K537 H538V474-L534 HydrophobicContact CB-CD2 4.18Å; V474-L534 HydrophobicContact CG1-CD2 4.04Å; H475-L534 HydrophobicContact CB-CD2 4.07Å; A530-L534 WeakPolarHBondContact O-CB 3.25Å; A530-L534 PolarHBondContact O-N 2.94Å; C531-L534 WeakPolarHBondContact O-CB 3.36Å; C531-L534 PolarHBondContact O-N 3.09Å; L534-K537 WeakPolarHBondContact O-CB 3.13Å; L534-K537 PolarHBondContact O-N 3.21Å; L534-H538 PolarHBondContact O-CD2 3.43Å
535L81.8Confident74.2Confident0 Ų022.9 Ų22.90%013%0.13CC..Hα-helixtrans-59.5-48.9174.3-68.2172.6000111.6V474 I481 L513 C531 L532 K537 H538 L539 I608V474-L535 HydrophobicContact CG1-CD2 4.07Å; V474-L535 HydrophobicContact CG1-CG 4.24Å; I481-L535 HydrophobicContact CD1-CD2 4.2Å; I481-L535 HydrophobicContact CG2-CD2 3.94Å; L513-L535 HydrophobicContact CD1-CD1 3.87Å; C531-L535 WeakPolarHBondContact O-CG 3.32Å; C531-L535 PolarHBondContact O-N 3.35Å; L532-L535 PolarHBondContact O-N 3.26Å; L535-K537 PolarHBondContact O-N 2.84Å; L535-K537 VanDerWaalsContact O-N 3.16Å; L535-H538 PolarHBondContact O-N 3.15Å; L535-L539 HydrophobicContact CB-CD1 4.16Å; L535-L539 WeakPolarHBondContact O-CB 3.41Å; L535-L539 WeakPolarHBondContact O-CG 3.37Å; L535-L539 PolarHBondContact O-N 3.31Å; L535-I608 HydrophobicContact CB-CD1 4.17Å; L535-I608 HydrophobicContact CD1-CD1 4.21Å
536L82.4Confident72.6Confident0 Ų023.6 Ų23.60%013%0.133CC..Hα-helixtrans-58.8-27.6177.8-70.1179.4000114.2L532 H538 C605 I608 I609 L612 L644 V647 N651 L654L532-L536 WeakPolarHBondContact O-CG 3.44Å; L532-L536 PolarHBondContact O-N 3.28Å; L532-L536 VanDerWaalsContact O-N 3.08Å; L536-H538 VanDerWaalsContact C-N 3.33Å; L536-C605 HydrophobicContact CD2-CB 3.91Å; L536-I608 HydrophobicContact CD1-CG2 3.88Å; L536-I608 HydrophobicContact CD2-CB 4.12Å; L536-I608 HydrophobicContact CD2-CG2 3.98Å; L536-I608 HydrophobicContact CG-CB 4.46Å; L536-I608 HydrophobicContact CG-CG2 3.78Å; L536-I609 HydrophobicContact CD1-CD1 4.44Å; L536-I609 HydrophobicContact CD1-CG1 3.85Å; L536-I609 HydrophobicContact CD2-CD1 4.26Å; L536-I609 HydrophobicContact CD2-CG1 4.11Å; L536-L612 HydrophobicContact CD1-CD1 3.77Å; L536-L644 HydrophobicContact CD1-CD2 4.11Å; L536-V647 HydrophobicContact CB-CG1 3.89Å; L536-V647 HydrophobicContact CB-CG2 3.75Å; L536-N651 WeakPolarHBondContact O-CB 3.33Å; L536-N651 PolarHBondContact O-ND2 3.18Å; L536-L654 HydrophobicContact CB-CD1 4.38Å; L536-L654 HydrophobicContact CD2-CD1 4.15Å
537K76Confident70.9Confident24 Ų2433.5 Ų33.510%0.10417%0.169CC..Hα-helixtrans-70.7-24.7175.6-75.9171.2-170.9178.60113.6I533 L534 L535 E646 V647 R650I533-K537 WeakPolarHBondContact O-CG 3.21Å; I533-K537 PolarHBondContact O-N 2.97Å; L534-K537 WeakPolarHBondContact O-CB 3.13Å; L534-K537 PolarHBondContact O-N 3.21Å; L535-K537 PolarHBondContact O-N 2.84Å; L535-K537 VanDerWaalsContact O-N 3.16Å; K537-E646 VanDerWaalsContact CE-CD 3.48Å; K537-E646 WeakPolarHBondContact CE-OE2 3.23Å; K537-E646 IonicContact NZ-OE1 3.85Å; K537-E646 PolarHBondContact NZ-OE1 3.43Å; K537-E646 IonicContact NZ-OE2 3.31Å; K537-E646 PolarHBondContact NZ-OE2 3.41Å; K537-V647 HydrophobicContact CG-CB 4.49Å; K537-V647 HydrophobicContact CG-CG2 3.8Å; K537-R650 WeakPolarHBondContact O-CB 3.43Å
538H72.2Confident68.7Low19 Ų1936.2 Ų36.29%0.08819%0.188CC..Hα-helixtrans-120-23.8-167.7-73.6-90.3000114.3L478 R482 L534 L535 L536 K540 R650L478-H538 HydrophobicContact CD1-CB 3.78Å; L478-H538 HydrophobicContact CD2-CB 3.79Å; L478-H538 VanDerWaalsContact CD2-CG 3.48Å; L478-H538 WeakPolarHBondContact CD2-ND1 3.42Å; L478-H538 HydrophobicContact CG-CB 4.33Å; R482-H538 PolarHBondContact NH1-O 2.88Å; L534-H538 PolarHBondContact O-CD2 3.43Å; L535-H538 PolarHBondContact O-N 3.15Å; L536-H538 VanDerWaalsContact C-N 3.33Å; H538-K540 PolarHBondContact O-N 2.88Å; H538-R650 PolarHBondContact CE1-NH1 3.33Å; H538-R650 PolarHBondContact NE2-NH1 2.99Å
539L73Confident66.3Low0 Ų038.7 Ų38.70%021%0.208CC..SBendtrans-80.189168.9-59.3178.9000109.3L535 N601 L604 N651L535-L539 HydrophobicContact CB-CD1 4.16Å; L535-L539 WeakPolarHBondContact O-CB 3.41Å; L535-L539 WeakPolarHBondContact O-CG 3.37Å; L535-L539 PolarHBondContact O-N 3.31Å; L539-N601 HydrophobicContact CB-CB 4.48Å; L539-L604 HydrophobicContact CD1-CD2 3.66Å; L539-L604 HydrophobicContact CD1-CG 4.22Å; L539-N651 PolarHBondContact O-ND2 3.24Å
540K67.1Low64Low80 Ų8043.4 Ų43.435%0.34824%0.241SC..  trans-68.1138.4176.8-71.5-173.5175.3-1770110.5H538H538-K540 PolarHBondContact O-N 2.88Å
541V63.2Low62.1Low1 Ų148.5 Ų48.51%0.00626%0.259CS..  trans-133.8142-178.4-176.70000110.4F546 N601 E602 C605 N651 C789V541-F546 HydrophobicContact CG1-CE2 4.1Å; V541-N601 HydrophobicContact CG2-CB 4.49Å; V541-N601 WeakPolarHBondContact CG2-O 3.44Å; V541-E602 HydrophobicContact CG1-CB 3.67Å; V541-E602 HydrophobicContact CG1-CG 3.66Å; V541-C605 HydrophobicContact CG2-CB 3.92Å; V541-C605 VanDerWaalsContact CG2-SG 3.52Å; V541-N651 PolarHBondContact N-OD1 3.44Å; V541-C789 PolarHBondContact O-SG 3.46Å
542P57.1Low59.8Low39 Ų3955.5 Ų55.525%0.25329%0.291SS..  trans-66.8156.6171.728.2-36.1000112.2L544 I598P542-L544 VanDerWaalsContact C-N 3.27Å; P542-L544 PolarHBondContact O-N 2.92Å; P542-I598 HydrophobicContact CG-CG2 3.75Å
543V51.9Low57.3Low40 Ų4060.9 Ų60.924%0.24233%0.329CS..THydrogen-bonded Turntrans-79.5-5.9-166.6-161.20000113.7R791V543-R791 HydrophobicContact CB-CB 4.39Å; V543-R791 HydrophobicContact CG1-CB 4.41Å
544L49.2Very low54.9Low142 Ų14265.4 Ų65.474%0.74336%0.361SS*.THydrogen-bonded Turntrans-78.7-25-161.5-81.5159.6000115.5P542P542-L544 VanDerWaalsContact C-N 3.27Å; P542-L544 PolarHBondContact O-N 2.92Å
545A45.2Very low52.7Low39 Ų3966.1 Ų66.132%0.32237%0.369SS..SBendtrans-99.3-16.1-163.900000117R547 E602A545-R547 PolarHBondContact O-N 2.95Å; A545-E602 HydrophobicContact CB-CG 3.91Å; A545-E602 WeakPolarHBondContact CB-OE1 3.39Å
546F51.7Low50.5Low29 Ų2973.5 Ų73.513%0.12741%0.407CS..  trans-72.415.9-167.4-92.9-83.7000116.8V541 S548 C605 T606 I609 L654 P657V541-F546 HydrophobicContact CG1-CE2 4.1Å; F546-S548 PolarHBondContact O-N 3.1Å; F546-C605 HydrophobicContact CE2-CB 4.46Å; F546-C605 HydrophobicContact CZ-CB 3.87Å; F546-T606 HydrophobicContact CD1-CG2 4.21Å; F546-T606 HydrophobicContact CE1-CG2 3.7Å; F546-T606 HydrophobicContact CE2-CG2 4.22Å; F546-T606 HydrophobicContact CZ-CG2 3.69Å; F546-I609 HydrophobicContact CE1-CD1 3.65Å; F546-I609 HydrophobicContact CZ-CD1 3.98Å; F546-L654 HydrophobicContact CD1-CD2 4.47Å; F546-L654 HydrophobicContact CD2-CD2 3.99Å; F546-L654 HydrophobicContact CE1-CD2 3.97Å; F546-L654 HydrophobicContact CE2-CD2 3.44Å; F546-L654 VanDerWaalsContact CE2-CD2 3.44Å; F546-L654 HydrophobicContact CG-CD2 4.47Å; F546-L654 HydrophobicContact CZ-CD2 3.43Å; F546-L654 VanDerWaalsContact CZ-CD2 3.43Å; F546-P657 HydrophobicContact CB-CG 3.82Å; F546-P657 HydrophobicContact CD1-CG 4.19Å; F546-P657 HydrophobicContact CG-CG 4.11Å
547R47Very low48.4Very low222 Ų22278.2 Ų78.284%0.83844%0.44SS*.THydrogen-bonded Turntrans-78.4114.7172.3-75.9-175168.2-168-4.5110.1A545A545-R547 PolarHBondContact O-N 2.95Å
548S37Very low46.4Very low60 Ų6080.7 Ų80.742%0.4246%0.46SS..THydrogen-bonded Turntrans76.658.7170.8-51.60000117.1F546 S550 Q551F546-S548 PolarHBondContact O-N 3.1Å; S548-S550 PolarHBondContact O-N 3.33Å; S548-Q551 PolarHBondContact O-N 2.98Å; S548-Q551 VanDerWaalsContact O-N 3.12Å
549A37.6Very low44.6Very low52 Ų5284.4 Ų84.443%0.4348%0.48SS..THydrogen-bonded Turntrans-61.119162.900000115.2
550S39Very low42.8Very low101 Ų10189 Ų8971%0.70651%0.513SS*.THydrogen-bonded Turntrans-109.1-3.317358.80000113.2S548S548-S550 PolarHBondContact O-N 3.33Å
551Q39.7Very low41Very low141 Ų14192.1 Ų92.166%0.65953%0.528SS*.SBendtrans-106.6-14.9-174.7-70.8-176.7-3300114.5S548S548-Q551 PolarHBondContact O-N 2.98Å; S548-Q551 VanDerWaalsContact O-N 3.12Å
552H34.9Very low39.4Very low146 Ų14698.4 Ų98.468%0.67657%0.569SS**  trans-114.199176.8-60.6-71.4000110.1
553S34Very low38Very low115 Ų115105.2 Ų105.280%0.80460%0.595SS**  trans-131.915.4-17554.60000113.7
554S34.4Very low36.7Very low100 Ų100108.2 Ų108.270%0.69962%0.624SS**  trans-138.95.9-167.452.20000115.4L556S554-L556 PolarHBondContact O-N 3.31Å
555S32.9Very low35.7Very low39 Ų39112.1 Ų112.127%0.27363%0.631SS.*G310 helixtrans-79.9-1.9-169.942.20000116.8S557 S558 E607S555-S557 PolarHBondContact O-N 3.41Å; S555-S558 PolarHBondContact O-N 3Å; S555-S558 PolarHBondContact O-OG 3.38Å; S555-S558 VanDerWaalsContact O-OG 3.06Å; S555-E607 PolarHBondContact OG-OE1 3.02Å
556L35.3Very low35Very low154 Ų154115.3 Ų115.381%0.80665%0.651SS**G310 helixtrans-63.1-11.1-171.5-146.381.6000114.6S554S554-L556 PolarHBondContact O-N 3.31Å
557S38.1Very low33.7Very low100 Ų100122.1 Ų122.170%0.69968%0.683SS**G310 helixtrans-95.7-5.2178.655.70000115S555S555-S557 PolarHBondContact O-N 3.41Å
558S34.7Very low32.8Very low75 Ų75117.3 Ų117.352%0.52468%0.683SS.*  trans-101.90.4-170.464.70000116.2S555 S560S555-S558 PolarHBondContact O-N 3Å; S555-S558 PolarHBondContact O-OG 3.38Å; S555-S558 VanDerWaalsContact O-OG 3.06Å; S558-S560 PolarHBondContact O-N 3.39Å; S558-S560 VanDerWaalsContact O-N 3.13Å
559L33.8Very low32.2Very low97 Ų97122.8 Ų122.851%0.50870%0.702SS.*THydrogen-bonded Turntrans-80.321.5177.2-82.679.1000113.5M507M507-L559 HydrophobicContact CE-CB 3.89Å; M507-L559 HydrophobicContact CE-CD2 3.77Å; M507-L559 HydrophobicContact CE-CG 4.48Å; M507-L559 HydrophobicContact SD-CD2 3.58Å; M507-L559 VanDerWaalsContact SD-CD2 3.58Å
560S34.4Very low31.7Very low98 Ų98124.8 Ų124.869%0.68572%0.719SS**THydrogen-bonded Turntrans-108.213.1-175.262.20000114.4S558S558-S560 PolarHBondContact O-N 3.39Å; S558-S560 VanDerWaalsContact O-N 3.13Å
561Q29.2Very low31.3Very low144 Ų144126.6 Ų126.667%0.67373%0.726SS**SBendtrans-131.4127.4174.2-70.9-167-1600111.5F563Q561-F563 PolarHBondContact O-N 3.18Å
562P29.5Very low30.8Very low134 Ų134128.9 Ų128.987%0.8774%0.736SS**  trans-78117.2173.130.9-31.9000110.3A564P562-A564 PolarHBondContact O-N 3.06Å
563F28.5Very low30.4Very low181 Ų181133.4 Ų133.479%0.79475%0.747SS**  trans-80.4113.9169-83.1-91000109.8Q561Q561-F563 PolarHBondContact O-N 3.18Å
564A25.3Very low30Very low103 Ų103134.4 Ų134.485%0.85174%0.744SS**  trans-70139.617400000111P562P562-A564 PolarHBondContact O-N 3.06Å
565Y28.7Very low29.6Very low224 Ų224135.7 Ų135.788%0.87875%0.75SS**  trans-124.3140.7174.4-121-83.7000111
566S28.4Very low29.3Very low106 Ų106141.3 Ų141.374%0.74178%0.776SS**  trans-79142.8-175.654.20000113.1
567Q25.6Very low28.8Very low172 Ų172140 Ų14080%0.80477%0.774SS**  trans-44.7141.8176.9-76.9179.7-15.500115.4
568S27.3Very low28.3Very low121 Ų121142.8 Ų142.885%0.84678%0.781SS**  trans-139.3129.8148.161.30000109.3
569Q25.7Very low27.9Very low176 Ų176147.4 Ų147.482%0.82279%0.792SS**  trans-95.4109.5-167.1-64.2177.1-0.700112.5
570A27.4Very low27.5Very low94 Ų94147.7 Ų147.778%0.77780%0.802SS**  trans-169132.4162.600000109.4
571T29.7Very low27.2Very low139 Ų139149.7 Ų149.785%0.85380%0.8SS**  cis-142.3131.9-420.90000110
572Q29.4Very low27.1Very low188 Ų188148 Ų14888%0.87980%0.795SS**  trans-78.7124163.1-68.6176.7-19.400109.8
573R27.1Very low27.3Very low241 Ų241145.4 Ų145.491%0.90977%0.771SS**  trans-179.5137.6144.5-99.8151-172.4-175.41.9112.8
574N25.6Very low27.6Very low136 Ų136139.4 Ų139.473%0.72775%0.752SS**  trans55.586.9163.6-63.76.1000119.4L576N574-L576 PolarHBondContact O-N 3.48Å
575P25.5Very low28.6Very low128 Ų128136 Ų13683%0.83172%0.721SS**  trans-84.138.4167.337.9-36.7000113.2
576L26Very low29.6Very low156 Ų156129.5 Ų129.582%0.81770%0.698SS**  trans-140.145.5-166.1-78.6174.9000115N574N574-L576 PolarHBondContact O-N 3.48Å
577V25.9Very low30.5Very low127 Ų127124.9 Ų124.977%0.7767%0.665SS**  trans-141.9159.4165.2-169.90000109
578L26.4Very low31.4Very low159 Ų159117.9 Ų117.983%0.83264%0.637SS**  trans83.766.5178.3-52.2177.3000116.3
579F26.2Very low32.4Very low172 Ų172117.3 Ų117.375%0.75462%0.621SS**  trans-99.9165.9153.6-113.3-91.3000111.2K404K404-F579 HydrophobicContact CD-CZ 4.35Å
580S25.9Very low33.4Very low103 Ų103111.2 Ų111.272%0.7259%0.592SS**  trans82.1154.8-179.883.80000117.6
581Q28.9Very low34.5Very low139 Ų139106.9 Ų106.965%0.6556%0.557SS**  trans70.575.1176.2-54.9-92.2-24.400116.1Q583Q581-Q583 PolarHBondContact O-N 3.4Å
582L26.7Very low35.5Very low108 Ų108103.8 Ų103.857%0.56554%0.537SS*.  trans-68.9112.3171.5-76.3151.4000112.6L400L400-L582 HydrophobicContact CD2-CD2 3.71Å
583Q33.6Very low36.6Very low80 Ų80101.3 Ų101.337%0.37453%0.529SS..  trans-161.266.1164.9-137.5177.189.100116.4Q581 T585Q581-Q583 PolarHBondContact O-N 3.4Å; Q583-T585 PolarHBondContact O-N 2.98Å
584S34.9Very low38Very low55 Ų5591.3 Ų91.339%0.38549%0.494SS..SBendtrans46.49.5151.953.20000121.8C989S584-C989 PolarHBondContact OG-SG 3.47Å
585T46.1Very low39.5Very low33 Ų3387.6 Ų87.620%0.20248%0.477CS..  trans-89.5-23.3162.2570000112Q583 I587 A588 Q589 C989Q583-T585 PolarHBondContact O-N 2.98Å; T585-I587 VanDerWaalsContact C-N 3.26Å; T585-I587 PolarHBondContact O-N 2.94Å; T585-A588 PolarHBondContact O-N 3.33Å; T585-A588 VanDerWaalsContact O-N 3.08Å; T585-Q589 PolarHBondContact O-N 3.28Å; T585-Q589 PolarHBondContact O-OE1 3.25Å; T585-Q589 PolarHBondContact OG1-OE1 2.82Å; T585-C989 HydrophobicContact CG2-CB 4.02Å
586Q49.7Very low41.3Very low87 Ų8782.7 Ų82.741%0.40745%0.446SS..Hα-helixtrans-61-28.7-173.4-81.2-168-9.400113.6A588 Q589 Q590Q586-A588 PolarHBondContact O-N 2.95Å; Q586-A588 VanDerWaalsContact O-N 3.16Å; Q586-Q589 CarbonylContact O-C 3.54Å; Q586-Q589 PolarHBondContact O-N 2.95Å; Q586-Q590 HydrophobicContact CB-CG 4.37Å; Q586-Q590 VanDerWaalsContact O-CB 3.27Å; Q586-Q590 WeakPolarHBondContact O-CB 3.47Å; Q586-Q590 PolarHBondContact O-N 3.29Å; Q586-Q590 PolarHBondContact O-OE1 3.38Å
587I46.2Very low43.2Very low8 Ų876.9 Ų76.94%0.04142%0.415CS..Hα-helixtrans-53.8-41.1175-42.1-176000111.4A442 P479 T585 A591A442-I587 HydrophobicContact CB-CB 4.19Å; A442-I587 HydrophobicContact CB-CG1 3.85Å; A442-I587 HydrophobicContact CB-CG2 4.22Å; P479-I587 HydrophobicContact CG-CG2 3.64Å; T585-I587 VanDerWaalsContact C-N 3.26Å; T585-I587 PolarHBondContact O-N 2.94Å; I587-A591 WeakPolarHBondContact O-CB 3.22Å; I587-A591 PolarHBondContact O-N 3.41Å; I587-A591 VanDerWaalsContact O-N 3.14Å
588A45.3Very low45.2Very low26 Ų2674.2 Ų74.222%0.21540%0.396CS..Hα-helixtrans-80-27.617700000113.1T585 Q586 V592T585-A588 PolarHBondContact O-N 3.33Å; T585-A588 VanDerWaalsContact O-N 3.08Å; Q586-A588 PolarHBondContact O-N 2.95Å; Q586-A588 VanDerWaalsContact O-N 3.16Å; A588-V592 WeakPolarHBondContact O-CB 3.12Å; A588-V592 WeakPolarHBondContact O-CG2 3.48Å; A588-V592 PolarHBondContact O-N 3.02Å
589Q47.6Very low47.2Very low108 Ų10871.3 Ų71.351%0.50539%0.385SS..Hα-helixtrans-83.4-44.7-178.8-62.2169.4-70.900111.7T585 Q586 V592 L593T585-Q589 PolarHBondContact O-N 3.28Å; T585-Q589 PolarHBondContact O-OE1 3.25Å; T585-Q589 PolarHBondContact OG1-OE1 2.82Å; Q586-Q589 CarbonylContact O-C 3.54Å; Q586-Q589 PolarHBondContact O-N 2.95Å; Q589-V592 CarbonylContact O-C 3.51Å; Q589-V592 WeakPolarHBondContact O-CA 3.38Å; Q589-V592 VanDerWaalsContact O-CB 3.32Å; Q589-V592 WeakPolarHBondContact O-CB 3.39Å; Q589-V592 PolarHBondContact O-N 3.17Å; Q589-L593 WeakPolarHBondContact O-CG 3.31Å; Q589-L593 PolarHBondContact O-N 3.1Å
590Q48.4Very low49.3Very low49 Ų4966 Ų6623%0.22936%0.362CS..Hα-helixtrans-64-40.2169.7-70.7164.3-34.100111.3A442 Q586 V592 L593 L594A442-Q590 PolarHBondContact O-OE1 3.3Å; Q586-Q590 HydrophobicContact CB-CG 4.37Å; Q586-Q590 VanDerWaalsContact O-CB 3.27Å; Q586-Q590 WeakPolarHBondContact O-CB 3.47Å; Q586-Q590 PolarHBondContact O-N 3.29Å; Q586-Q590 PolarHBondContact O-OE1 3.38Å; Q590-V592 PolarHBondContact O-N 2.91Å; Q590-L593 CarbonylContact O-C 3.56Å; Q590-L593 PolarHBondContact O-N 3.42Å; Q590-L594 WeakPolarHBondContact O-CG 3.42Å; Q590-L594 PolarHBondContact O-N 3.49Å
591A48.6Very low51.6Low3 Ų361.2 Ų61.23%0.02533%0.329CS..Hα-helixtrans-63.5-24.5168.800000112.9P479 R482 I587P479-A591 HydrophobicContact CB-CB 4.29Å; P479-A591 HydrophobicContact CG-CB 4.27Å; R482-A591 WeakPolarHBondContact CD-O 3.36Å; R482-A591 PolarHBondContact NE-O 3.39Å; I587-A591 WeakPolarHBondContact O-CB 3.22Å; I587-A591 PolarHBondContact O-N 3.41Å; I587-A591 VanDerWaalsContact O-N 3.14Å
592V51Low53.6Low73 Ų7356.8 Ų56.844%0.44231%0.308SS..Hα-helixtrans-78.3-28.8170.8161.90000113A588 Q589 Q590A588-V592 WeakPolarHBondContact O-CB 3.12Å; A588-V592 WeakPolarHBondContact O-CG2 3.48Å; A588-V592 PolarHBondContact O-N 3.02Å; Q589-V592 CarbonylContact O-C 3.51Å; Q589-V592 WeakPolarHBondContact O-CA 3.38Å; Q589-V592 VanDerWaalsContact O-CB 3.32Å; Q589-V592 WeakPolarHBondContact O-CB 3.39Å; Q589-V592 PolarHBondContact O-N 3.17Å; Q590-V592 PolarHBondContact O-N 2.91Å
593L53.9Low56Low137 Ų13754.7 Ų54.772%0.71730%0.299SS*.Hα-helixtrans-77.8-28.5172.1-66.8170.2000113.1Q589 Q590Q589-L593 WeakPolarHBondContact O-CG 3.31Å; Q589-L593 PolarHBondContact O-N 3.1Å; Q590-L593 CarbonylContact O-C 3.56Å; Q590-L593 PolarHBondContact O-N 3.42Å
594L56.6Low58.1Low31 Ų3151.3 Ų51.316%0.16228%0.284CS..SBendtrans-63.9136.7175-77171.7000110.7P479 A483 L487 Q590 C596P479-L594 HydrophobicContact CB-CD1 3.89Å; A483-L594 HydrophobicContact CB-CD1 4.44Å; L487-L594 HydrophobicContact CD1-CD2 4.13Å; Q590-L594 WeakPolarHBondContact O-CG 3.42Å; Q590-L594 PolarHBondContact O-N 3.49Å; L594-C596 PolarHBondContact O-N 2.84Å; L594-C596 PolarHBondContact O-SG 3.19Å
595P56.1Low60.2Low57 Ų5748.7 Ų48.737%0.3727%0.266SS..  trans-61.3139.3179.327.4-35.1000110.2A483 L486 L487A483-P595 WeakPolarHBondContact CA-O 3.42Å; L486-P595 HydrophobicContact CB-CB 3.96Å; L486-P595 HydrophobicContact CB-CG 3.9Å; L486-P595 HydrophobicContact CD1-CB 3.97Å; L487-P595 HydrophobicContact CD2-CG 4.41Å
596C62.5Low61.7Low26 Ų2648.8 Ų48.818%0.17627%0.266CS..  trans-121.1121-171.3-63.80000110.4R482 L594 I598R482-C596 VanDerWaalsContact CZ-SG 3.52Å; R482-C596 PolarHBondContact NE-SG 2.82Å; R482-C596 PolarHBondContact NH2-SG 3.2Å; L594-C596 PolarHBondContact O-N 2.84Å; L594-C596 PolarHBondContact O-SG 3.19Å; C596-I598 PolarHBondContact O-N 3.11Å
597D66.4Low63.1Low33 Ų3346.5 Ų46.518%0.17626%0.255CS..  trans-71.8104.5169.8-171.5-40.7000109.2L486 V599 Q600 N601L486-D597 HydrophobicContact CD1-CB 4.13Å; L486-D597 VanDerWaalsContact CD1-N 3.33Å; L486-D597 HydrophobicContact CG-CB 4.41Å; D597-V599 VanDerWaalsContact C-N 3.31Å; D597-V599 PolarHBondContact O-N 3.43Å; D597-V599 WeakPolarHBondContact OD1-CA 3.33Å; D597-V599 PolarHBondContact OD1-N 2.92Å; D597-Q600 HydrophobicContact CB-CB 4.04Å; D597-Q600 HydrophobicContact CB-CG 4.18Å; D597-Q600 VanDerWaalsContact CG-CG 3.48Å; D597-Q600 PolarHBondContact OD1-N 2.99Å; D597-Q600 WeakPolarHBondContact OD2-CG 3.38Å; D597-Q600 PolarHBondContact OD2-NE2 3.09Å; D597-N601 VanDerWaalsContact O-CB 3.24Å; D597-N601 WeakPolarHBondContact O-CB 3.49Å; D597-N601 PolarHBondContact O-N 3.24Å; D597-N601 VanDerWaalsContact O-N 3.12Å; D597-N601 PolarHBondContact O-ND2 2.65Å
598I67.4Low65Low72 Ų7246.2 Ų46.237%0.36925%0.254SS..Hα-helixtrans-66.2-36-176.4-59.5-179.9000110.9P542 C596 E602P542-I598 HydrophobicContact CG-CG2 3.75Å; C596-I598 PolarHBondContact O-N 3.11Å; I598-E602 WeakPolarHBondContact O-CB 3.43Å; I598-E602 PolarHBondContact O-N 3.47Å
599V68.9Low66.7Low98 Ų9846.2 Ų46.259%0.59425%0.25SS*.Hα-helixtrans-77.3-45.3-174.5-175.20000110.6D597 N601 E602 V603D597-V599 VanDerWaalsContact C-N 3.31Å; D597-V599 PolarHBondContact O-N 3.43Å; D597-V599 WeakPolarHBondContact OD1-CA 3.33Å; D597-V599 PolarHBondContact OD1-N 2.92Å; V599-N601 VanDerWaalsContact C-N 3.25Å; V599-N601 PolarHBondContact O-N 2.85Å; V599-E602 WeakPolarHBondContact O-CB 3.42Å; V599-E602 PolarHBondContact O-N 3.48Å; V599-V603 PolarHBondContact O-N 2.75Å
600Q70.7Confident68.2Low60 Ų6042.9 Ų42.928%0.2824%0.238SC..Hα-helixtrans-62.2-34.2172.6-69.5-179.84200112.1S485 R506 D597 L604S485-Q600 PolarHBondContact OG-NE2 2.96Å; R506-Q600 PolarHBondContact NH2-O 3.32Å; D597-Q600 HydrophobicContact CB-CB 4.04Å; D597-Q600 HydrophobicContact CB-CG 4.18Å; D597-Q600 VanDerWaalsContact CG-CG 3.48Å; D597-Q600 PolarHBondContact OD1-N 2.99Å; D597-Q600 WeakPolarHBondContact OD2-CG 3.38Å; D597-Q600 PolarHBondContact OD2-NE2 3.09Å; Q600-L604 WeakPolarHBondContact O-CB 3.47Å; Q600-L604 PolarHBondContact O-N 3.41Å; Q600-L604 VanDerWaalsContact O-N 3.12Å
601N74.1Confident70Confident3 Ų342.3 Ų42.32%0.01624%0.237CC..Hα-helixtrans-73.3-32176-70-20.4000112.2R506 L539 V541 D597 V599 C605R506-N601 PolarHBondContact NH1-OD1 3.16Å; R506-N601 PolarHBondContact NH2-OD1 2.98Å; L539-N601 HydrophobicContact CB-CB 4.48Å; V541-N601 HydrophobicContact CG2-CB 4.49Å; V541-N601 WeakPolarHBondContact CG2-O 3.44Å; D597-N601 VanDerWaalsContact O-CB 3.24Å; D597-N601 WeakPolarHBondContact O-CB 3.49Å; D597-N601 PolarHBondContact O-N 3.24Å; D597-N601 VanDerWaalsContact O-N 3.12Å; D597-N601 PolarHBondContact O-ND2 2.65Å; V599-N601 VanDerWaalsContact C-N 3.25Å; V599-N601 PolarHBondContact O-N 2.85Å; N601-C605 WeakPolarHBondContact O-CB 3.29Å; N601-C605 PolarHBondContact O-N 3.33Å; N601-C605 PolarHBondContact O-SG 3.32Å
602E71.9Confident71.7Confident46 Ų4642.2 Ų42.222%0.21524%0.236CC..Hα-helixtrans-63.7-57.3172.7-174.7169.4102.700111.2V541 A545 I598 V599 L604 C605 T606V541-E602 HydrophobicContact CG1-CB 3.67Å; V541-E602 HydrophobicContact CG1-CG 3.66Å; A545-E602 HydrophobicContact CB-CG 3.91Å; A545-E602 WeakPolarHBondContact CB-OE1 3.39Å; I598-E602 WeakPolarHBondContact O-CB 3.43Å; I598-E602 PolarHBondContact O-N 3.47Å; V599-E602 WeakPolarHBondContact O-CB 3.42Å; V599-E602 PolarHBondContact O-N 3.48Å; E602-L604 VanDerWaalsContact C-N 3.34Å; E602-L604 PolarHBondContact O-N 3.5Å; E602-C605 PolarHBondContact O-N 2.88Å; E602-C605 VanDerWaalsContact O-N 3.11Å; E602-T606 WeakPolarHBondContact O-CG2 3.48Å; E602-T606 PolarHBondContact O-N 2.98Å
603V76.1Confident73.3Confident64 Ų6442.6 Ų42.639%0.38823%0.233SC..Hα-helixtrans-53.6-51.8178.3175.70000110.3V599 C605 T606 E607V599-V603 PolarHBondContact O-N 2.75Å; V603-C605 VanDerWaalsContact C-N 3.34Å; V603-C605 PolarHBondContact O-N 2.73Å; V603-T606 PolarHBondContact O-N 3.21Å; V603-T606 PolarHBondContact O-OG1 3.3Å; V603-E607 PolarHBondContact O-N 3.4Å
604L78.6Confident74.6Confident9 Ų944.1 Ų44.15%0.04723%0.229CC..Hα-helixtrans-58.6-41.7179.1-179.355.5000112.7I510 L539 Q600 E602 T606 E607 I608I510-L604 HydrophobicContact CD1-CD1 3.68Å; I510-L604 HydrophobicContact CD1-CD2 3.54Å; I510-L604 HydrophobicContact CD1-CG 4.28Å; I510-L604 HydrophobicContact CG1-CD1 4.05Å; I510-L604 HydrophobicContact CG1-CD2 4.31Å; I510-L604 HydrophobicContact CG2-CD1 3.94Å; L539-L604 HydrophobicContact CD1-CD2 3.66Å; L539-L604 HydrophobicContact CD1-CG 4.22Å; Q600-L604 WeakPolarHBondContact O-CB 3.47Å; Q600-L604 PolarHBondContact O-N 3.41Å; Q600-L604 VanDerWaalsContact O-N 3.12Å; E602-L604 VanDerWaalsContact C-N 3.34Å; E602-L604 PolarHBondContact O-N 3.5Å; L604-T606 VanDerWaalsContact C-N 3.34Å; L604-T606 PolarHBondContact O-N 3.38Å; L604-E607 PolarHBondContact O-N 2.88Å; L604-I608 HydrophobicContact CD1-CD1 3.8Å; L604-I608 HydrophobicContact CD1-CG1 3.97Å; L604-I608 HydrophobicContact CG-CD1 3.81Å; L604-I608 HydrophobicContact CG-CG1 4.4Å; L604-I608 WeakPolarHBondContact O-CB 3.26Å; L604-I608 WeakPolarHBondContact O-CG1 3.22Å; L604-I608 PolarHBondContact O-N 2.85Å
605C78.4Confident75.8Confident0 Ų043.5 Ų43.50%023%0.226CC..Hα-helixtrans-65.9-35176.1-70.70000112.6L536 V541 F546 N601 E602 V603 I609L536-C605 HydrophobicContact CD2-CB 3.91Å; V541-C605 HydrophobicContact CG2-CB 3.92Å; V541-C605 VanDerWaalsContact CG2-SG 3.52Å; F546-C605 HydrophobicContact CE2-CB 4.46Å; F546-C605 HydrophobicContact CZ-CB 3.87Å; N601-C605 WeakPolarHBondContact O-CB 3.29Å; N601-C605 PolarHBondContact O-N 3.33Å; N601-C605 PolarHBondContact O-SG 3.32Å; E602-C605 PolarHBondContact O-N 2.88Å; E602-C605 VanDerWaalsContact O-N 3.11Å; V603-C605 VanDerWaalsContact C-N 3.34Å; V603-C605 PolarHBondContact O-N 2.73Å; C605-I609 WeakPolarHBondContact O-CB 3.26Å; C605-I609 WeakPolarHBondContact O-CG1 3.34Å; C605-I609 PolarHBondContact O-N 3.11Å
606T76.8Confident77Confident35 Ų3541.1 Ų41.122%0.21521%0.209CC..Hα-helixtrans-67-41.8174.969.80000112.2F546 E602 V603 L604 S610F546-T606 HydrophobicContact CD1-CG2 4.21Å; F546-T606 HydrophobicContact CE1-CG2 3.7Å; F546-T606 HydrophobicContact CE2-CG2 4.22Å; F546-T606 HydrophobicContact CZ-CG2 3.69Å; E602-T606 WeakPolarHBondContact O-CG2 3.48Å; E602-T606 PolarHBondContact O-N 2.98Å; V603-T606 PolarHBondContact O-N 3.21Å; V603-T606 PolarHBondContact O-OG1 3.3Å; L604-T606 VanDerWaalsContact C-N 3.34Å; L604-T606 PolarHBondContact O-N 3.38Å; T606-S610 WeakPolarHBondContact O-CB 3.28Å; T606-S610 PolarHBondContact O-N 3.22Å; T606-S610 PolarHBondContact O-OG 3.31Å
607E80.1Confident77.8Confident39 Ų3944.3 Ų44.318%0.18222%0.221CC..Hα-helixtrans-65.1-46176.2-69.5-169.9159.300111.5S555 V603 L604 I609 S610 I611S555-E607 PolarHBondContact OG-OE1 3.02Å; V603-E607 PolarHBondContact O-N 3.4Å; L604-E607 PolarHBondContact O-N 2.88Å; E607-I609 PolarHBondContact O-N 3.18Å; E607-S610 WeakPolarHBondContact O-CB 3.41Å; E607-S610 PolarHBondContact O-N 3.46Å; E607-S610 VanDerWaalsContact O-N 3.15Å; E607-I611 WeakPolarHBondContact O-CG1 3.47Å; E607-I611 PolarHBondContact O-N 3.06Å
608I84.9Confident78Confident2 Ų243.7 Ų43.71%0.0122%0.219CC..Hα-helixtrans-60.6-44.2178.1-66.5171.8000111.3L532 L535 L536 L604 S610 I611 L612L532-I608 HydrophobicContact CB-CG2 3.84Å; L532-I608 HydrophobicContact CD2-CD1 4.22Å; L532-I608 HydrophobicContact CD2-CG1 3.9Å; L532-I608 HydrophobicContact CD2-CG2 3.98Å; L532-I608 HydrophobicContact CG-CG2 4.39Å; L535-I608 HydrophobicContact CB-CD1 4.17Å; L535-I608 HydrophobicContact CD1-CD1 4.21Å; L536-I608 HydrophobicContact CD1-CG2 3.88Å; L536-I608 HydrophobicContact CD2-CB 4.12Å; L536-I608 HydrophobicContact CD2-CG2 3.98Å; L536-I608 HydrophobicContact CG-CB 4.46Å; L536-I608 HydrophobicContact CG-CG2 3.78Å; L604-I608 HydrophobicContact CD1-CD1 3.8Å; L604-I608 HydrophobicContact CD1-CG1 3.97Å; L604-I608 HydrophobicContact CG-CD1 3.81Å; L604-I608 HydrophobicContact CG-CG1 4.4Å; L604-I608 WeakPolarHBondContact O-CB 3.26Å; L604-I608 WeakPolarHBondContact O-CG1 3.22Å; L604-I608 PolarHBondContact O-N 2.85Å; I608-S610 VanDerWaalsContact C-N 3.31Å; I608-S610 PolarHBondContact O-N 3.37Å; I608-I611 PolarHBondContact O-N 3.25Å; I608-L612 HydrophobicContact CG2-CD1 4.29Å; I608-L612 WeakPolarHBondContact O-CG 3.36Å; I608-L612 PolarHBondContact O-N 2.95Å
609I82.4Confident77.5Confident26 Ų2643.7 Ų43.713%0.13323%0.229CC..Hα-helixtrans-66-35.8177.5-74.1170000111.2L536 F546 C605 E607 L612 H613 L654L536-I609 HydrophobicContact CD1-CD1 4.44Å; L536-I609 HydrophobicContact CD1-CG1 3.85Å; L536-I609 HydrophobicContact CD2-CD1 4.26Å; L536-I609 HydrophobicContact CD2-CG1 4.11Å; F546-I609 HydrophobicContact CE1-CD1 3.65Å; F546-I609 HydrophobicContact CZ-CD1 3.98Å; C605-I609 WeakPolarHBondContact O-CB 3.26Å; C605-I609 WeakPolarHBondContact O-CG1 3.34Å; C605-I609 PolarHBondContact O-N 3.11Å; E607-I609 PolarHBondContact O-N 3.18Å; I609-L612 PolarHBondContact O-N 3.42Å; I609-H613 VanDerWaalsContact O-CB 3.32Å; I609-H613 WeakPolarHBondContact O-CB 3.33Å; I609-H613 PolarHBondContact O-N 3.23Å; I609-L654 HydrophobicContact CD1-CD1 4.01Å; I609-L654 HydrophobicContact CD1-CD2 3.61Å; I609-L654 HydrophobicContact CD1-CG 4.33Å
610S79.2Confident76.7Confident37 Ų3745.3 Ų45.326%0.25923%0.229SC..Hα-helixtrans-65.3-37.5174.6-56.80000112.1T606 E607 I608 R614T606-S610 WeakPolarHBondContact O-CB 3.28Å; T606-S610 PolarHBondContact O-N 3.22Å; T606-S610 PolarHBondContact O-OG 3.31Å; E607-S610 WeakPolarHBondContact O-CB 3.41Å; E607-S610 PolarHBondContact O-N 3.46Å; E607-S610 VanDerWaalsContact O-N 3.15Å; I608-S610 VanDerWaalsContact C-N 3.31Å; I608-S610 PolarHBondContact O-N 3.37Å; S610-R614 WeakPolarHBondContact O-CB 3.42Å; S610-R614 PolarHBondContact O-N 3.1Å
611I84.6Confident76.1Confident37 Ų3744 Ų4419%0.1922%0.222CC..Hα-helixtrans-64.9-47.5172.5-67.8161.4000110.9C514 A517 L532 E607 I608 H613 R614 I615C514-I611 VanDerWaalsContact SG-CD1 3.51Å; A517-I611 HydrophobicContact CB-CG2 4.15Å; L532-I611 HydrophobicContact CD1-CG2 4.23Å; E607-I611 WeakPolarHBondContact O-CG1 3.47Å; E607-I611 PolarHBondContact O-N 3.06Å; I608-I611 PolarHBondContact O-N 3.25Å; I611-H613 VanDerWaalsContact C-N 3.33Å; I611-H613 PolarHBondContact O-N 3.05Å; I611-R614 WeakPolarHBondContact O-CB 3.49Å; I611-R614 PolarHBondContact O-N 3Å; I611-I615 HydrophobicContact CG2-CD1 4.14Å; I611-I615 WeakPolarHBondContact O-CG1 3.36Å; I611-I615 PolarHBondContact O-N 3.07Å
612L85.6Confident75Confident2 Ų250 Ų501%0.0124%0.244CC..Hα-helixtrans-61.8-40.6177.2-67.4175.3000111.8V529 I533 L536 I608 I609 I615 I616 I640 L644V529-L612 HydrophobicContact CG1-CD2 4.48Å; V529-L612 HydrophobicContact CG2-CD2 4.12Å; I533-L612 HydrophobicContact CG1-CD1 3.99Å; I533-L612 HydrophobicContact CG1-CD2 4.5Å; L536-L612 HydrophobicContact CD1-CD1 3.77Å; I608-L612 HydrophobicContact CG2-CD1 4.29Å; I608-L612 WeakPolarHBondContact O-CG 3.36Å; I608-L612 PolarHBondContact O-N 2.95Å; I609-L612 PolarHBondContact O-N 3.42Å; L612-I615 HydrophobicContact CD2-CD1 4.43Å; L612-I615 PolarHBondContact O-N 3.44Å; L612-I616 WeakPolarHBondContact O-CG1 3.41Å; L612-I616 PolarHBondContact O-N 2.94Å; L612-I640 HydrophobicContact CD2-CD1 4.37Å; L612-I640 HydrophobicContact CD2-CG1 4.24Å; L612-L644 HydrophobicContact CD1-CD2 3.98Å
613H83.7Confident73.9Confident81 Ų8151.8 Ų51.838%0.37526%0.262SS..Hα-helixtrans-62.2-44.6174.3-164.4-89.4000111.4I609 I611 I615 I616 F617 R664I609-H613 VanDerWaalsContact O-CB 3.32Å; I609-H613 WeakPolarHBondContact O-CB 3.33Å; I609-H613 PolarHBondContact O-N 3.23Å; I611-H613 VanDerWaalsContact C-N 3.33Å; I611-H613 PolarHBondContact O-N 3.05Å; H613-I615 VanDerWaalsContact C-N 3.31Å; H613-I615 PolarHBondContact O-N 3.4Å; H613-I616 PolarHBondContact O-N 3.42Å; H613-F617 AromaticContact CD2-CD2 3.95Å; H613-F617 AromaticContact CD2-CE2 3.75Å; H613-F617 AromaticContact CE1-CD2 3.57Å; H613-F617 AromaticContact CE1-CE2 3.82Å; H613-F617 AromaticContact CG-CD2 3.98Å; H613-F617 AromaticContact ND1-CD2 3.64Å; H613-F617 AromaticContact NE2-CD2 3.84Å; H613-F617 AromaticContact NE2-CE2 3.2Å; H613-F617 WeakPolarHBondContact NE2-CE2 3.31Å; H613-F617 AromaticContact NE2-CZ 3.91Å; H613-F617 WeakPolarHBondContact O-CD2 3.31Å; H613-F617 PolarHBondContact O-N 3.22Å; H613-R664 PolarHBondContact NE2-NH1 2.87Å
614R82.4Confident72.7Confident169 Ų16953 Ų5364%0.63826%0.264SS*.Hα-helixtrans-59.3-38.6172.8-176.5174.1174.4177.2-3.6112.1S610 I611 S618S610-R614 WeakPolarHBondContact O-CB 3.42Å; S610-R614 PolarHBondContact O-N 3.1Å; I611-R614 WeakPolarHBondContact O-CB 3.49Å; I611-R614 PolarHBondContact O-N 3Å; R614-S618 WeakPolarHBondContact O-CA 3.38Å; R614-S618 WeakPolarHBondContact O-CB 3.46Å; R614-S618 PolarHBondContact O-N 3.37Å
615I82Confident70.9Confident18 Ų1858.2 Ų58.29%0.09230%0.298CS..Hα-helixtrans-65.4-43.7176.5-64.5163.2000111.3A517 V529 I611 L612 H613 V636 I640A517-I615 HydrophobicContact CB-CD1 4.2Å; V529-I615 HydrophobicContact CG2-CD1 3.93Å; I611-I615 HydrophobicContact CG2-CD1 4.14Å; I611-I615 WeakPolarHBondContact O-CG1 3.36Å; I611-I615 PolarHBondContact O-N 3.07Å; L612-I615 HydrophobicContact CD2-CD1 4.43Å; L612-I615 PolarHBondContact O-N 3.44Å; H613-I615 VanDerWaalsContact C-N 3.31Å; H613-I615 PolarHBondContact O-N 3.4Å; I615-V636 HydrophobicContact CG2-CG1 3.81Å; I615-I640 HydrophobicContact CB-CD1 4.09Å; I615-I640 HydrophobicContact CG2-CD1 3.7Å
616I81.5Confident69.7Low6 Ų660.5 Ų60.53%0.03132%0.321CS..Hα-helixtrans-62.4-46.2178.9-65.9162.9000111.6L612 H613 I640 Y641 L661 L665L612-I616 WeakPolarHBondContact O-CG1 3.41Å; L612-I616 PolarHBondContact O-N 2.94Å; H613-I616 PolarHBondContact O-N 3.42Å; I616-I640 HydrophobicContact CD1-CG2 3.88Å; I616-I640 HydrophobicContact CG1-CD1 4.04Å; I616-I640 HydrophobicContact CG1-CG2 4.27Å; I616-Y641 HydrophobicContact CD1-CE1 4.33Å; I616-Y641 HydrophobicContact CG1-CE1 4.38Å; I616-Y641 HydrophobicContact CG2-CE1 4.49Å; I616-L661 HydrophobicContact CD1-CD2 4.08Å; I616-L665 HydrophobicContact CG2-CD2 3.93Å
617F78.6Confident68.5Low94 Ų9459.4 Ų59.441%0.41232%0.315SS..Hα-helixtrans-97.31.2-171.8-68.9-77.8000114.7H613 A619 L661 L665H613-F617 AromaticContact CD2-CD2 3.95Å; H613-F617 AromaticContact CD2-CE2 3.75Å; H613-F617 AromaticContact CE1-CD2 3.57Å; H613-F617 AromaticContact CE1-CE2 3.82Å; H613-F617 AromaticContact CG-CD2 3.98Å; H613-F617 AromaticContact ND1-CD2 3.64Å; H613-F617 AromaticContact NE2-CD2 3.84Å; H613-F617 AromaticContact NE2-CE2 3.2Å; H613-F617 WeakPolarHBondContact NE2-CE2 3.31Å; H613-F617 AromaticContact NE2-CZ 3.91Å; H613-F617 WeakPolarHBondContact O-CD2 3.31Å; H613-F617 PolarHBondContact O-N 3.22Å; F617-A619 PolarHBondContact O-N 3.28Å; F617-A619 VanDerWaalsContact O-N 3.07Å; F617-L661 HydrophobicContact CE2-CD1 3.92Å; F617-L661 HydrophobicContact CZ-CD1 4.34Å; F617-L665 HydrophobicContact CE1-CD2 4.22Å; F617-L665 HydrophobicContact CE2-CD2 4.44Å; F617-L665 HydrophobicContact CZ-CD2 3.71Å; F617-L665 HydrophobicContact CZ-CG 4.49Å
618S70.1Confident67Low19 Ų1961.1 Ų61.113%0.13333%0.325CS..  trans-58.8110.3-177.4176.50000113R614 F620 F621R614-S618 WeakPolarHBondContact O-CA 3.38Å; R614-S618 WeakPolarHBondContact O-CB 3.46Å; R614-S618 PolarHBondContact O-N 3.37Å; S618-F620 VanDerWaalsContact C-N 3.25Å; S618-F620 WeakPolarHBondContact OG-CB 3.27Å; S618-F620 PolarHBondContact OG-N 3.43Å; S618-F621 VanDerWaalsContact OG-CD2 3.29Å; S618-F621 WeakPolarHBondContact OG-CD2 3.43Å; S618-F621 PolarHBondContact OG-N 2.77Å; S618-F621 VanDerWaalsContact OG-N 3.16Å
619A56Low65.4Low72 Ų7265 Ų6560%0.59535%0.346SS*.SBendtrans-66.7-28.5163.500000112F617 F621 R622 S623F617-A619 PolarHBondContact O-N 3.28Å; F617-A619 VanDerWaalsContact O-N 3.07Å; A619-F621 VanDerWaalsContact C-N 3.33Å; A619-F621 PolarHBondContact O-N 3.45Å; A619-R622 CarbonylContact O-C 3.55Å; A619-R622 WeakPolarHBondContact O-CA 3.39Å; A619-R622 WeakPolarHBondContact O-CB 3.39Å; A619-R622 PolarHBondContact O-N 3.12Å; A619-S623 PolarHBondContact O-N 3.02Å; A619-S623 PolarHBondContact O-OG 3.27Å
620F52.9Low64.2Low133 Ų13366.6 Ų66.658%0.58336%0.363SS*.Hα-helixtrans-61.1-38.1-177.2-171.3-94.4000113S618 R622 S623S618-F620 VanDerWaalsContact C-N 3.25Å; S618-F620 WeakPolarHBondContact OG-CB 3.27Å; S618-F620 PolarHBondContact OG-N 3.43Å; F620-R622 VanDerWaalsContact C-N 3.3Å; F620-S623 WeakPolarHBondContact CA-OG 3.15Å; F620-S623 PolarHBondContact O-OG 2.97Å; F620-S623 VanDerWaalsContact O-OG 3.09Å
621F57.4Low63.6Low32 Ų3265.2 Ų65.214%0.1435%0.352CS..Hα-helixtrans-80.4-7.6173.6-63.1-53.6000113.7S618 A619 S627S618-F621 VanDerWaalsContact OG-CD2 3.29Å; S618-F621 WeakPolarHBondContact OG-CD2 3.43Å; S618-F621 PolarHBondContact OG-N 2.77Å; S618-F621 VanDerWaalsContact OG-N 3.16Å; A619-F621 VanDerWaalsContact C-N 3.33Å; A619-F621 PolarHBondContact O-N 3.45Å; F621-S627 VanDerWaalsContact O-CB 3.25Å; F621-S627 WeakPolarHBondContact O-CB 3.33Å; F621-S627 PolarHBondContact O-OG 3.13Å; F621-S627 VanDerWaalsContact O-OG 3.05Å
622R52Low62.3Low128 Ų12865.2 Ų65.248%0.48336%0.355SS..Hα-helixtrans-96.3-24.2170.7-74.8177.8161.9169.6-6.7112.4A619 F620 K637 E726A619-R622 CarbonylContact O-C 3.55Å; A619-R622 WeakPolarHBondContact O-CA 3.39Å; A619-R622 WeakPolarHBondContact O-CB 3.39Å; A619-R622 PolarHBondContact O-N 3.12Å; F620-R622 VanDerWaalsContact C-N 3.3Å; R622-K637 VanDerWaalsContact NH2-NZ 3.11Å; R622-E726 IonicContact NH2-OE1 3.88Å
623S48.4Very low61.5Low84 Ų8466.8 Ų66.859%0.58736%0.362SS*.Hα-helixtrans-85.4-16.6-17657.80000115A619 F620A619-S623 PolarHBondContact O-N 3.02Å; A619-S623 PolarHBondContact O-OG 3.27Å; F620-S623 WeakPolarHBondContact CA-OG 3.15Å; F620-S623 PolarHBondContact O-OG 2.97Å; F620-S623 VanDerWaalsContact O-OG 3.09Å
624Q51.2Low61.1Low90 Ų9064.1 Ų64.142%0.42135%0.35SS..SBendtrans-84.9120.1170.7-71.1-170.1-13.400109.9G626 S627Q624-G626 PolarHBondContact O-N 2.97Å; Q624-G626 VanDerWaalsContact O-N 3.1Å; Q624-S627 PolarHBondContact O-N 3.28Å
625P41.8Very low60.9Low119 Ų11958 Ų5877%0.77333%0.33SS*.THydrogen-bonded Turntrans-62.5-23.7-172.522-32.6000114.2
626G51.6Low60.8Low47 Ų4757.5 Ų57.549%0.48533%0.328SS..Hα-helixtrans-79.2-18.1172.700000115.3Q624 A630Q624-G626 PolarHBondContact O-N 2.97Å; Q624-G626 VanDerWaalsContact O-N 3.1Å; G626-A630 PolarHBondContact O-N 3.48Å
627S51.9Low60.9Low13 Ų1357.7 Ų57.79%0.09133%0.328CS..Hα-helixtrans-83.7-13.1-170.3-173.50000114.4F621 Q624F621-S627 VanDerWaalsContact O-CB 3.25Å; F621-S627 WeakPolarHBondContact O-CB 3.33Å; F621-S627 PolarHBondContact O-OG 3.13Å; F621-S627 VanDerWaalsContact O-OG 3.05Å; Q624-S627 PolarHBondContact O-N 3.28Å
628L49.2Very low60.9Low74 Ų7453.9 Ų53.939%0.38731%0.313SS..Hα-helixtrans-90.9-37168.5-83164.8000111.9A630 D631L628-A630 PolarHBondContact O-N 3.4Å; L628-D631 PolarHBondContact O-N 2.95Å
629L50.9Low61.3Low85 Ų8554.3 Ų54.345%0.44531%0.314SS..Hα-helixtrans-59.5-24.6173-67.9172.1000112.9N716L629-N716 WeakPolarHBondContact CD2-ND2 3.47Å
630A56.9Low62.6Low59 Ų5950.9 Ų50.949%0.48829%0.286SS..THydrogen-bonded Turntrans-83.9-27.3-178.200000114.3I522 G626 L628I522-A630 HydrophobicContact CD1-CB 3.45Å; I522-A630 VanDerWaalsContact CD1-CB 3.45Å; I522-A630 WeakPolarHBondContact CD1-O 3.19Å; G626-A630 PolarHBondContact O-N 3.48Å; L628-A630 PolarHBondContact O-N 3.4Å
631D66.2Low64.2Low8 Ų844.5 Ų44.54%0.04326%0.258CS..  trans-12866.5-178.3-166.4-0.4000111.9I522 L628 E633 N634 I635 V636I522-D631 HydrophobicContact CD1-CB 3.61Å; I522-D631 HydrophobicContact CG1-CB 4.17Å; L628-D631 PolarHBondContact O-N 2.95Å; D631-E633 VanDerWaalsContact C-N 3.28Å; D631-E633 PolarHBondContact O-N 3Å; D631-N634 PolarHBondContact O-N 3.47Å; D631-N634 WeakPolarHBondContact OD1-CA 3.47Å; D631-N634 PolarHBondContact OD1-N 3.19Å; D631-N634 VanDerWaalsContact OD1-N 3.17Å; D631-I635 VanDerWaalsContact CG-N 3.32Å; D631-I635 WeakPolarHBondContact OD1-CB 3.29Å; D631-I635 WeakPolarHBondContact OD1-CG1 3.31Å; D631-I635 PolarHBondContact OD1-N 3.36Å; D631-I635 PolarHBondContact OD2-N 3.19Å; D631-I635 VanDerWaalsContact OD2-N 3.14Å; D631-V636 PolarHBondContact OD2-N 3.18Å
632P59.1Low65.4Low36 Ų3643.5 Ų43.523%0.23425%0.253CS..THydrogen-bonded Turntrans-63.1-29-173.724-34.2000113.7L723 R724P632-L723 HydrophobicContact CB-CD2 3.78Å; P632-L723 WeakPolarHBondContact O-CA 3.34Å; P632-R724 PolarHBondContact O-N 3.24Å
633E66.8Low66.6Low35 Ų3537.4 Ų37.416%0.16423%0.23CC..THydrogen-bonded Turntrans-88-0.7175.4-64.6-148.4136.900114D631 I635 R724 H727 R926D631-E633 VanDerWaalsContact C-N 3.28Å; D631-E633 PolarHBondContact O-N 3Å; E633-I635 VanDerWaalsContact C-N 3.29Å; E633-I635 HydrophobicContact CB-CG1 3.97Å; E633-I635 PolarHBondContact O-N 3.41Å; E633-R724 IonicContact OE1-CZ 2.77Å; E633-R724 IonicContact OE1-NH1 3.35Å; E633-R724 PolarHBondContact OE1-NH1 3.27Å; E633-H727 PolarHBondContact O-CE1 3.4Å; E633-H727 PolarHBondContact O-NE2 2.91Å; E633-R926 WeakPolarHBondContact OE1-CD 3.3Å; E633-R926 IonicContact OE1-CZ 3.45Å; E633-R926 IonicContact OE1-NE 2.67Å; E633-R926 IonicContact OE1-NH1 3.6Å; E633-R926 PolarHBondContact OE1-NH1 3.22Å; E633-R926 VanDerWaalsContact OE1-NH1 3.16Å; E633-R926 WeakPolarHBondContact OE2-CB 3.46Å; E633-R926 WeakPolarHBondContact OE2-CD 3.35Å
634N76.9Confident68.4Low25 Ų2533.7 Ų33.713%0.13420%0.204CC..  trans52.745.1-171.8-98.5-76.4000112.7D631 V636 K637 S638 R724D631-N634 PolarHBondContact O-N 3.47Å; D631-N634 WeakPolarHBondContact OD1-CA 3.47Å; D631-N634 PolarHBondContact OD1-N 3.19Å; D631-N634 VanDerWaalsContact OD1-N 3.17Å; N634-V636 VanDerWaalsContact C-N 3.27Å; N634-V636 PolarHBondContact O-N 3.44Å; N634-K637 HydrophobicContact CB-CD 4.5Å; N634-K637 PolarHBondContact O-N 2.99Å; N634-K637 VanDerWaalsContact O-N 3.15Å; N634-S638 PolarHBondContact O-N 3.44Å; N634-R724 PolarHBondContact ND2-O 3.46Å
635I76.5Confident70Confident42 Ų4229.6 Ų29.622%0.21519%0.185CC..Hα-helixtrans-55.5-40.6-177.3-61.1171.9000110.9D631 E633 K637 S638 N639D631-I635 VanDerWaalsContact CG-N 3.32Å; D631-I635 WeakPolarHBondContact OD1-CB 3.29Å; D631-I635 WeakPolarHBondContact OD1-CG1 3.31Å; D631-I635 PolarHBondContact OD1-N 3.36Å; D631-I635 PolarHBondContact OD2-N 3.19Å; D631-I635 VanDerWaalsContact OD2-N 3.14Å; E633-I635 VanDerWaalsContact C-N 3.29Å; E633-I635 HydrophobicContact CB-CG1 3.97Å; E633-I635 PolarHBondContact O-N 3.41Å; I635-K637 VanDerWaalsContact C-N 3.33Å; I635-K637 PolarHBondContact O-N 3.39Å; I635-S638 PolarHBondContact O-N 3.06Å; I635-N639 VanDerWaalsContact O-CB 3.29Å; I635-N639 WeakPolarHBondContact O-CB 3.46Å; I635-N639 PolarHBondContact O-N 3.4Å; I635-N639 PolarHBondContact O-ND2 3.03Å
636V80Confident71.7Confident6 Ų624.4 Ų24.44%0.03615%0.15CC..Hα-helixtrans-60.4-42-179.7-178.70000111.5I522 R525 V529 I615 D631 N634 N639 I640I522-V636 HydrophobicContact CG2-CG2 3.99Å; R525-V636 HydrophobicContact CB-CG1 4.49Å; R525-V636 HydrophobicContact CB-CG2 4.3Å; V529-V636 HydrophobicContact CG2-CG1 4.29Å; I615-V636 HydrophobicContact CG2-CG1 3.81Å; D631-V636 PolarHBondContact OD2-N 3.18Å; N634-V636 VanDerWaalsContact C-N 3.27Å; N634-V636 PolarHBondContact O-N 3.44Å; V636-N639 PolarHBondContact O-N 3.45Å; V636-I640 HydrophobicContact CG1-CD1 4.38Å; V636-I640 WeakPolarHBondContact O-CG1 3.32Å; V636-I640 PolarHBondContact O-N 2.99Å
637K83.4Confident73.1Confident11 Ų1122.2 Ų22.25%0.04813%0.127CC..Hα-helixtrans-67.4-50177.9-76.1-175.8174.9-178.40112.3R622 N634 I635 N639 I640 Y641 E726R622-K637 VanDerWaalsContact NH2-NZ 3.11Å; N634-K637 HydrophobicContact CB-CD 4.5Å; N634-K637 PolarHBondContact O-N 2.99Å; N634-K637 VanDerWaalsContact O-N 3.15Å; I635-K637 VanDerWaalsContact C-N 3.33Å; I635-K637 PolarHBondContact O-N 3.39Å; K637-N639 PolarHBondContact O-N 3.11Å; K637-I640 PolarHBondContact O-N 3.3Å; K637-Y641 HydrophobicContact CB-CE2 4.41Å; K637-Y641 WeakPolarHBondContact O-CD1 3.36Å; K637-Y641 PolarHBondContact O-N 3.35Å; K637-E726 VanDerWaalsContact NZ-CD 3.29Å; K637-E726 IonicContact NZ-OE1 2.94Å; K637-E726 PolarHBondContact NZ-OE1 3.16Å; K637-E726 IonicContact NZ-OE2 3.21Å; K637-E726 PolarHBondContact NZ-OE2 3.49Å
638S78.9Confident74.4Confident14 Ų1421.6 Ų21.610%0.09812%0.123CC..Hα-helixtrans-54.5-42.5177.2-172.10000110.2N634 I635 I640 Y641 W642N634-S638 PolarHBondContact O-N 3.44Å; I635-S638 PolarHBondContact O-N 3.06Å; S638-I640 VanDerWaalsContact C-N 3.32Å; S638-I640 PolarHBondContact O-N 3.02Å; S638-Y641 PolarHBondContact O-N 3.15Å; S638-W642 WeakPolarHBondContact O-CB 3.43Å; S638-W642 PolarHBondContact O-N 3.05Å; S638-W642 PolarHBondContact OG-NE1 3.47Å; S638-W642 VanDerWaalsContact OG-NE1 3.14Å
639N78.7Confident75.6Confident27 Ų2719.9 Ų19.914%0.14412%0.116CC..Hα-helixtrans-62.2-32.3176.4-83.9-25.2000114.7I635 V636 K637 G643 R932I635-N639 VanDerWaalsContact O-CB 3.29Å; I635-N639 WeakPolarHBondContact O-CB 3.46Å; I635-N639 PolarHBondContact O-N 3.4Å; I635-N639 PolarHBondContact O-ND2 3.03Å; V636-N639 PolarHBondContact O-N 3.45Å; K637-N639 PolarHBondContact O-N 3.11Å; N639-G643 PolarHBondContact O-N 3.37Å; N639-G643 VanDerWaalsContact O-N 3.12Å; N639-R932 VanDerWaalsContact CA-NH2 3.31Å; N639-R932 PolarHBondContact O-NH2 2.96Å; N639-R932 VanDerWaalsContact O-NH2 3.13Å; N639-R932 PolarHBondContact OD1-NH2 3.48Å
640I84.8Confident76.5Confident0 Ų018.6 Ų18.60%011%0.105CC..Hα-helixtrans-74.1-45.3173.6-61.6166000110.7V529 L612 I615 I616 V636 K637 S638 W642 G643 L644V529-I640 HydrophobicContact CB-CG1 4.49Å; V529-I640 HydrophobicContact CG1-CG1 3.56Å; V529-I640 HydrophobicContact CG2-CD1 4.14Å; V529-I640 HydrophobicContact CG2-CG1 4.03Å; L612-I640 HydrophobicContact CD2-CD1 4.37Å; L612-I640 HydrophobicContact CD2-CG1 4.24Å; I615-I640 HydrophobicContact CB-CD1 4.09Å; I615-I640 HydrophobicContact CG2-CD1 3.7Å; I616-I640 HydrophobicContact CD1-CG2 3.88Å; I616-I640 HydrophobicContact CG1-CD1 4.04Å; I616-I640 HydrophobicContact CG1-CG2 4.27Å; V636-I640 HydrophobicContact CG1-CD1 4.38Å; V636-I640 WeakPolarHBondContact O-CG1 3.32Å; V636-I640 PolarHBondContact O-N 2.99Å; K637-I640 PolarHBondContact O-N 3.3Å; S638-I640 VanDerWaalsContact C-N 3.32Å; S638-I640 PolarHBondContact O-N 3.02Å; I640-W642 PolarHBondContact O-N 2.86Å; I640-G643 PolarHBondContact O-N 3.48Å; I640-L644 HydrophobicContact CG2-CD1 3.64Å; I640-L644 HydrophobicContact CG2-CG 3.99Å; I640-L644 WeakPolarHBondContact O-CB 3.47Å; I640-L644 PolarHBondContact O-N 3.38Å
641Y86.1Confident77.3Confident0 Ų015.9 Ų15.90%08%0.082CC..Hα-helixtrans-60.4-47.4178.7-56.8-14.1000111I616 K637 S638 G643 C645 Y662 L665 E726 H727 T730 L731I616-Y641 HydrophobicContact CD1-CE1 4.33Å; I616-Y641 HydrophobicContact CG1-CE1 4.38Å; I616-Y641 HydrophobicContact CG2-CE1 4.49Å; K637-Y641 HydrophobicContact CB-CE2 4.41Å; K637-Y641 WeakPolarHBondContact O-CD1 3.36Å; K637-Y641 PolarHBondContact O-N 3.35Å; S638-Y641 PolarHBondContact O-N 3.15Å; Y641-G643 PolarHBondContact O-N 3.41Å; Y641-C645 PolarHBondContact O-N 3.06Å; Y641-Y662 PolarHBondContact O-OH 2.85Å; Y641-L665 HydrophobicContact CD1-CD1 4.22Å; Y641-L665 HydrophobicContact CE1-CD1 3.57Å; Y641-E726 PolarHBondContact OH-OE2 3.38Å; Y641-H727 HydrophobicContact CD2-CB 4.49Å; Y641-T730 HydrophobicContact CD2-CG2 4.43Å; Y641-L731 HydrophobicContact CD1-CD2 4.34Å; Y641-L731 HydrophobicContact CD2-CD2 3.88Å; Y641-L731 HydrophobicContact CD2-CG 4.04Å; Y641-L731 HydrophobicContact CE2-CD1 4.27Å; Y641-L731 HydrophobicContact CE2-CD2 4.18Å; Y641-L731 HydrophobicContact CE2-CG 4.19Å; Y641-L731 HydrophobicContact CG-CD2 3.98Å
642W81.2Confident77.7Confident11 Ų1121.8 Ų21.84%0.04210%0.104CC..Hα-helixtrans-60.7-43.3174-70.4130.1000112.7S638 I640 E646 T730 W733 C734 P923 R932 L935S638-W642 WeakPolarHBondContact O-CB 3.43Å; S638-W642 PolarHBondContact O-N 3.05Å; S638-W642 PolarHBondContact OG-NE1 3.47Å; S638-W642 VanDerWaalsContact OG-NE1 3.14Å; I640-W642 PolarHBondContact O-N 2.86Å; W642-E646 PolarHBondContact O-N 3.32Å; W642-T730 HydrophobicContact CD2-CG2 3.72Å; W642-T730 HydrophobicContact CE3-CG2 3.91Å; W642-T730 HydrophobicContact CG-CG2 4.34Å; W642-T730 HydrophobicContact CH2-CG2 3.96Å; W642-T730 HydrophobicContact CZ2-CG2 3.74Å; W642-T730 HydrophobicContact CZ3-CG2 4.01Å; W642-W733 HydrophobicContact CE3-CZ3 4.37Å; W642-W733 HydrophobicContact CH2-CE3 4.02Å; W642-W733 HydrophobicContact CH2-CZ3 4.15Å; W642-W733 HydrophobicContact CZ3-CD2 4.43Å; W642-W733 AromaticContact CZ3-CE3 3.44Å; W642-W733 HydrophobicContact CZ3-CE3 3.44Å; W642-W733 VanDerWaalsContact CZ3-CE3 3.44Å; W642-W733 AromaticContact CZ3-CZ3 3.49Å; W642-W733 HydrophobicContact CZ3-CZ3 3.49Å; W642-W733 VanDerWaalsContact CZ3-CZ3 3.49Å; W642-C734 VanDerWaalsContact CE3-SG 3.56Å; W642-P923 HydrophobicContact CE3-CB 4.48Å; W642-P923 HydrophobicContact CZ3-CB 4.37Å; W642-R932 VanDerWaalsContact CB-CZ 3.4Å; W642-L935 HydrophobicContact CB-CD1 3.89Å; W642-L935 HydrophobicContact CD2-CD1 4.01Å; W642-L935 HydrophobicContact CE3-CD1 3.45Å; W642-L935 VanDerWaalsContact CE3-CD1 3.45Å; W642-L935 HydrophobicContact CG-CD1 4.24Å; W642-L935 HydrophobicContact CZ3-CD1 4.25Å
643G79Confident78.1Confident0 Ų020.2 Ų20.20%09%0.094CC..Hα-helixtrans-76-37.5-173.600000114.5N639 I640 Y641 C645 E646 V647N639-G643 PolarHBondContact O-N 3.37Å; N639-G643 VanDerWaalsContact O-N 3.12Å; I640-G643 PolarHBondContact O-N 3.48Å; Y641-G643 PolarHBondContact O-N 3.41Å; G643-C645 VanDerWaalsContact C-N 3.32Å; G643-E646 WeakPolarHBondContact O-CB 3.35Å; G643-E646 PolarHBondContact O-N 3.21Å; G643-V647 WeakPolarHBondContact O-CG2 3.03Å; G643-V647 PolarHBondContact O-N 3.21Å
644L85.9Confident78.7Confident6 Ų618.6 Ų18.63%0.0319%0.087CC..Hα-helixtrans-67.3-33.3174.1-76178000111.7L536 L612 I640 E646 V647 V648 V658 L661 Y662L536-L644 HydrophobicContact CD1-CD2 4.11Å; L612-L644 HydrophobicContact CD1-CD2 3.98Å; I640-L644 HydrophobicContact CG2-CD1 3.64Å; I640-L644 HydrophobicContact CG2-CG 3.99Å; I640-L644 WeakPolarHBondContact O-CB 3.47Å; I640-L644 PolarHBondContact O-N 3.38Å; L644-E646 VanDerWaalsContact C-N 3.27Å; L644-E646 PolarHBondContact O-N 3.39Å; L644-V647 WeakPolarHBondContact O-CB 3.15Å; L644-V647 PolarHBondContact O-N 3.43Å; L644-V648 WeakPolarHBondContact O-CG2 3.25Å; L644-V648 PolarHBondContact O-N 3.34Å; L644-V658 HydrophobicContact CB-CG1 4.15Å; L644-V658 HydrophobicContact CB-CG2 4.27Å; L644-V658 HydrophobicContact CD2-CG2 4.28Å; L644-L661 HydrophobicContact CD1-CD2 3.92Å; L644-Y662 HydrophobicContact CB-CE1 4.43Å; L644-Y662 WeakPolarHBondContact CB-OH 3.21Å
645C84Confident78.9Confident3 Ų317.4 Ų17.42%0.028%0.08CC..Hα-helixtrans-62.4-40.7173.7-172.40000110.4Y641 G643 Y662 C734 L935Y641-C645 PolarHBondContact O-N 3.06Å; G643-C645 VanDerWaalsContact C-N 3.32Å; C645-Y662 HydrophobicContact CB-CE2 4.26Å; C645-Y662 PolarHBondContact N-OH 3.06Å; C645-C734 HydrophobicContact CB-CB 3.93Å; C645-L935 HydrophobicContact CB-CD2 4.01Å
646E78.1Confident79.1Confident11 Ų1118.7 Ų18.75%0.0519%0.085CC..Hα-helixtrans-69.9-33.9177.2-149.3-171.5153.600112.6K537 W642 G643 L644 T649 L935 Y991K537-E646 VanDerWaalsContact CE-CD 3.48Å; K537-E646 WeakPolarHBondContact CE-OE2 3.23Å; K537-E646 IonicContact NZ-OE1 3.85Å; K537-E646 PolarHBondContact NZ-OE1 3.43Å; K537-E646 IonicContact NZ-OE2 3.31Å; K537-E646 PolarHBondContact NZ-OE2 3.41Å; W642-E646 PolarHBondContact O-N 3.32Å; G643-E646 WeakPolarHBondContact O-CB 3.35Å; G643-E646 PolarHBondContact O-N 3.21Å; L644-E646 VanDerWaalsContact C-N 3.27Å; L644-E646 PolarHBondContact O-N 3.39Å; E646-T649 PolarHBondContact O-N 3Å; E646-T649 PolarHBondContact O-OG1 3.3Å; E646-L935 HydrophobicContact CB-CD2 4.3Å; E646-L935 HydrophobicContact CB-CG 4.45Å; E646-L935 HydrophobicContact CG-CG 4.39Å; E646-Y991 PolarHBondContact OE1-OH 3.18Å
647V80.4Confident79.1Confident0 Ų020.2 Ų20.20%010%0.095CC..Hα-helixtrans-60.2-46174.7163.60000111.7I533 L536 K537 G643 L644 T649 R650 N651 L654I533-V647 HydrophobicContact CG2-CG2 3.91Å; L536-V647 HydrophobicContact CB-CG1 3.89Å; L536-V647 HydrophobicContact CB-CG2 3.75Å; K537-V647 HydrophobicContact CG-CB 4.49Å; K537-V647 HydrophobicContact CG-CG2 3.8Å; G643-V647 WeakPolarHBondContact O-CG2 3.03Å; G643-V647 PolarHBondContact O-N 3.21Å; L644-V647 WeakPolarHBondContact O-CB 3.15Å; L644-V647 PolarHBondContact O-N 3.43Å; V647-T649 PolarHBondContact O-N 2.98Å; V647-T649 VanDerWaalsContact O-N 3.16Å; V647-R650 PolarHBondContact O-N 3.33Å; V647-N651 HydrophobicContact CG1-CB 4.33Å; V647-N651 PolarHBondContact O-N 2.77Å; V647-L654 HydrophobicContact CG1-CB 4.35Å; V647-L654 HydrophobicContact CG1-CD1 3.52Å
648V79.6Confident79.2Confident0 Ų019.9 Ų19.90%09%0.094CC..Hα-helixtrans-57.9-32-177.7175.20000112.2L644 R650 C655 V658 I738 L741L644-V648 WeakPolarHBondContact O-CG2 3.25Å; L644-V648 PolarHBondContact O-N 3.34Å; V648-R650 VanDerWaalsContact C-N 3.28Å; V648-R650 PolarHBondContact O-N 2.84Å; V648-C655 HydrophobicContact CG1-CB 3.69Å; V648-V658 HydrophobicContact CG2-CB 3.63Å; V648-V658 HydrophobicContact CG2-CG1 3.77Å; V648-V658 HydrophobicContact CG2-CG2 3.84Å; V648-I738 HydrophobicContact CG1-CG1 4.46Å; V648-I738 HydrophobicContact CG2-CD1 4.44Å; V648-L741 HydrophobicContact CG1-CD1 3.64Å
649T73.3Confident79.5Confident38 Ų3819.2 Ų19.223%0.2339%0.09CC..Hα-helixtrans-61.5-33.7177.8740000113.2E646 V647 L741 M938E646-T649 PolarHBondContact O-N 3Å; E646-T649 PolarHBondContact O-OG1 3.3Å; V647-T649 PolarHBondContact O-N 2.98Å; V647-T649 VanDerWaalsContact O-N 3.16Å; T649-L741 HydrophobicContact CG2-CD2 4.4Å; T649-M938 HydrophobicContact CG2-CG 3.65Å; T649-M938 HydrophobicContact CG2-SD 3.83Å
650R71.5Confident79.9Confident59 Ų5921.2 Ų21.222%0.22310%0.1CC..Hα-helixtrans-102.6-35.7-176.3-70.2-176.5171.9-178.21.6113.2K537 H538 V647 V648 A990 Y991K537-R650 WeakPolarHBondContact O-CB 3.43Å; H538-R650 PolarHBondContact CE1-NH1 3.33Å; H538-R650 PolarHBondContact NE2-NH1 2.99Å; V647-R650 PolarHBondContact O-N 3.33Å; V648-R650 VanDerWaalsContact C-N 3.28Å; V648-R650 PolarHBondContact O-N 2.84Å; R650-A990 VanDerWaalsContact NH2-CB 3.27Å; R650-A990 PolarHBondContact NH2-O 2.85Å; R650-Y991 VanDerWaalsContact NH2-CE1 3.31Å; R650-Y991 PolarHBondContact NH2-OH 3.39Å
651N73.7Confident80Confident2 Ų221.9 Ų21.91%0.01110%0.104CC..  trans-114.877.8-176-161.1-4000110.3L536 L539 V541 V647 G653 L654L536-N651 WeakPolarHBondContact O-CB 3.33Å; L536-N651 PolarHBondContact O-ND2 3.18Å; L539-N651 PolarHBondContact O-ND2 3.24Å; V541-N651 PolarHBondContact N-OD1 3.44Å; V647-N651 HydrophobicContact CG1-CB 4.33Å; V647-N651 PolarHBondContact O-N 2.77Å; N651-G653 PolarHBondContact O-N 3.26Å; N651-L654 HydrophobicContact CB-CD1 4.1Å; N651-L654 HydrophobicContact CB-CG 4.33Å; N651-L654 WeakPolarHBondContact ND2-CD1 3.5Å; N651-L654 PolarHBondContact O-N 3.47Å
652R73Confident80.2Confident132 Ų13221.9 Ų21.950%0.49810%0.104SC..G310 helixtrans-56.3-27.3-171.6-63.5-170.5172.2-173.3-0.6114L654 C655 I743R652-L654 PolarHBondContact O-N 3.47Å; R652-C655 VanDerWaalsContact O-CB 3.23Å; R652-C655 WeakPolarHBondContact O-CB 3.47Å; R652-C655 PolarHBondContact O-N 2.56Å; R652-C655 VanDerWaalsContact O-N 3.16Å; R652-I743 HydrophobicContact CB-CD1 4.13Å; R652-I743 HydrophobicContact CG-CD1 3.85Å
653G68.7Low80.6Confident3 Ų321.8 Ų21.83%0.03110%0.104CC..G310 helixtrans-62.3-21.6175.300000114.4N651N651-G653 PolarHBondContact O-N 3.26Å
654L78.4Confident81Confident1 Ų127.2 Ų27.21%0.00513%0.125CC..G310 helixtrans-89.81178.7-56.4-178.5000113.5L536 F546 I609 V647 N651 R652 P657 V658L536-L654 HydrophobicContact CB-CD1 4.38Å; L536-L654 HydrophobicContact CD2-CD1 4.15Å; F546-L654 HydrophobicContact CD1-CD2 4.47Å; F546-L654 HydrophobicContact CD2-CD2 3.99Å; F546-L654 HydrophobicContact CE1-CD2 3.97Å; F546-L654 HydrophobicContact CE2-CD2 3.44Å; F546-L654 VanDerWaalsContact CE2-CD2 3.44Å; F546-L654 HydrophobicContact CG-CD2 4.47Å; F546-L654 HydrophobicContact CZ-CD2 3.43Å; F546-L654 VanDerWaalsContact CZ-CD2 3.43Å; I609-L654 HydrophobicContact CD1-CD1 4.01Å; I609-L654 HydrophobicContact CD1-CD2 3.61Å; I609-L654 HydrophobicContact CD1-CG 4.33Å; V647-L654 HydrophobicContact CG1-CB 4.35Å; V647-L654 HydrophobicContact CG1-CD1 3.52Å; N651-L654 HydrophobicContact CB-CD1 4.1Å; N651-L654 HydrophobicContact CB-CG 4.33Å; N651-L654 WeakPolarHBondContact ND2-CD1 3.5Å; N651-L654 PolarHBondContact O-N 3.47Å; R652-L654 PolarHBondContact O-N 3.47Å; L654-P657 WeakPolarHBondContact O-CD 2.99Å; L654-V658 WeakPolarHBondContact O-CB 3.24Å; L654-V658 VanDerWaalsContact O-CG2 3.31Å; L654-V658 WeakPolarHBondContact O-CG2 3.2Å; L654-V658 PolarHBondContact O-N 3.44Å; L654-V658 VanDerWaalsContact O-N 3.16Å
655C81.3Confident81Confident0 Ų027.6 Ų27.60%013%0.127CC..Hα-helixtrans-60.4-52.9-178.5-170.50000112.9V648 R652 V658 L659 V793V648-C655 HydrophobicContact CG1-CB 3.69Å; R652-C655 VanDerWaalsContact O-CB 3.23Å; R652-C655 WeakPolarHBondContact O-CB 3.47Å; R652-C655 PolarHBondContact O-N 2.56Å; R652-C655 VanDerWaalsContact O-N 3.16Å; C655-V658 PolarHBondContact O-N 3.31Å; C655-L659 VanDerWaalsContact O-CB 3.24Å; C655-L659 WeakPolarHBondContact O-CB 3.34Å; C655-L659 PolarHBondContact O-N 3.31Å; C655-V793 HydrophobicContact CB-CG2 4.15Å
656E80.3Confident81.2Confident69 Ų6927.5 Ų27.532%0.32213%0.126SC..Hα-helixtrans-64.2-44.7-177.3-176.3175.2153.200113V658 N660 V793 L797E656-V658 PolarHBondContact O-N 2.7Å; E656-N660 VanDerWaalsContact O-CB 3.27Å; E656-N660 WeakPolarHBondContact O-CB 3.27Å; E656-N660 PolarHBondContact O-N 3.21Å; E656-V793 HydrophobicContact CB-CG1 4.4Å; E656-L797 HydrophobicContact CG-CD2 3.79Å
657P81Confident81.6Confident37 Ų3729.3 Ų29.324%0.2414%0.138CC..Hα-helixtrans-57.7-45.2171.7-28.436.2000114.5F546 L654 L661F546-P657 HydrophobicContact CB-CG 3.82Å; F546-P657 HydrophobicContact CD1-CG 4.19Å; F546-P657 HydrophobicContact CG-CG 4.11Å; L654-P657 WeakPolarHBondContact O-CD 2.99Å; P657-L661 WeakPolarHBondContact O-CB 3.37Å; P657-L661 PolarHBondContact O-N 3.11Å
658V85.3Confident81.8Confident5 Ų532.5 Ų32.53%0.0317%0.17CC..Hα-helixtrans-70.9-42.1-178.21730000111.3L644 V648 L654 C655 E656 N660 L661 Y662 I738L644-V658 HydrophobicContact CB-CG1 4.15Å; L644-V658 HydrophobicContact CB-CG2 4.27Å; L644-V658 HydrophobicContact CD2-CG2 4.28Å; V648-V658 HydrophobicContact CG2-CB 3.63Å; V648-V658 HydrophobicContact CG2-CG1 3.77Å; V648-V658 HydrophobicContact CG2-CG2 3.84Å; L654-V658 WeakPolarHBondContact O-CB 3.24Å; L654-V658 VanDerWaalsContact O-CG2 3.31Å; L654-V658 WeakPolarHBondContact O-CG2 3.2Å; L654-V658 PolarHBondContact O-N 3.44Å; L654-V658 VanDerWaalsContact O-N 3.16Å; C655-V658 PolarHBondContact O-N 3.31Å; E656-V658 PolarHBondContact O-N 2.7Å; V658-N660 PolarHBondContact O-N 3.06Å; V658-L661 WeakPolarHBondContact O-CB 3.29Å; V658-L661 PolarHBondContact O-N 3.18Å; V658-Y662 HydrophobicContact CG1-CD1 4.31Å; V658-Y662 HydrophobicContact CG1-CD2 4.19Å; V658-Y662 HydrophobicContact CG1-CE1 3.81Å; V658-Y662 HydrophobicContact CG1-CE2 3.68Å; V658-Y662 HydrophobicContact CG1-CG 4.46Å; V658-Y662 VanDerWaalsContact CG1-CZ 3.45Å; V658-Y662 PolarHBondContact O-N 3.37Å; V658-I738 HydrophobicContact CG1-CD1 4.03Å
659L86Confident82Confident0 Ų033.4 Ų33.40%018%0.176CC..Hα-helixtrans-61-43.2175.8-178.956.4000111.5C655 Y662 L663 L735 I738 F744 V793 L797 A801C655-L659 VanDerWaalsContact O-CB 3.24Å; C655-L659 WeakPolarHBondContact O-CB 3.34Å; C655-L659 PolarHBondContact O-N 3.31Å; L659-Y662 PolarHBondContact O-N 3.04Å; L659-L663 HydrophobicContact CD1-CD1 4.27Å; L659-L663 HydrophobicContact CD1-CG 4.4Å; L659-L663 HydrophobicContact CG-CD1 4.23Å; L659-L663 WeakPolarHBondContact O-CB 3.5Å; L659-L663 VanDerWaalsContact O-CG 3.28Å; L659-L663 WeakPolarHBondContact O-CG 3.32Å; L659-L663 PolarHBondContact O-N 3.18Å; L659-L735 HydrophobicContact CD1-CD2 3.48Å; L659-L735 VanDerWaalsContact CD1-CD2 3.48Å; L659-I738 HydrophobicContact CD1-CG2 4.46Å; L659-F744 HydrophobicContact CD2-CZ 4.13Å; L659-V793 HydrophobicContact CD2-CG1 4.46Å; L659-L797 HydrophobicContact CB-CD2 4.16Å; L659-L797 HydrophobicContact CD2-CD2 3.85Å; L659-L797 HydrophobicContact CD2-CG 3.86Å; L659-L797 HydrophobicContact CG-CD2 3.93Å; L659-L797 HydrophobicContact CG-CG 3.99Å; L659-A801 HydrophobicContact CD1-CB 4.15Å
660N87.1Confident82.5Confident68 Ų6832 Ų3236%0.36417%0.167SC..Hα-helixtrans-63.9-40.9174.8-172-29.4000112E656 V658 R664 L797E656-N660 VanDerWaalsContact O-CB 3.27Å; E656-N660 WeakPolarHBondContact O-CB 3.27Å; E656-N660 PolarHBondContact O-N 3.21Å; V658-N660 PolarHBondContact O-N 3.06Å; N660-R664 WeakPolarHBondContact O-CB 3.34Å; N660-R664 PolarHBondContact O-N 3.21Å; N660-R664 PolarHBondContact OD1-NH2 3.23Å; N660-L797 HydrophobicContact CB-CD2 4.42Å
661L87.2Confident83Confident14 Ų1431.4 Ų31.47%0.07317%0.167CC..Hα-helixtrans-62-45.9174.6176.959.9000112.1I616 F617 L644 P657 V658 R664 L665I616-L661 HydrophobicContact CD1-CD2 4.08Å; F617-L661 HydrophobicContact CE2-CD1 3.92Å; F617-L661 HydrophobicContact CZ-CD1 4.34Å; L644-L661 HydrophobicContact CD1-CD2 3.92Å; P657-L661 WeakPolarHBondContact O-CB 3.37Å; P657-L661 PolarHBondContact O-N 3.11Å; V658-L661 WeakPolarHBondContact O-CB 3.29Å; V658-L661 PolarHBondContact O-N 3.18Å; L661-R664 WeakPolarHBondContact O-CB 3.33Å; L661-R664 PolarHBondContact O-N 3.37Å; L661-L665 HydrophobicContact CD1-CD1 3.92Å; L661-L665 HydrophobicContact CD1-CG 4.16Å; L661-L665 HydrophobicContact CG-CD1 3.93Å; L661-L665 WeakPolarHBondContact O-CG 3.47Å; L661-L665 PolarHBondContact O-N 3.29Å
662Y90.1Very high83.1Confident0 Ų035.2 Ų35.20%019%0.192CC..Hα-helixtrans-68.6-40.2-179.5-69.8-1.2000112.7Y641 L644 C645 V658 L659 R664 L665 L666 L731 C734 L735 I738Y641-Y662 PolarHBondContact O-OH 2.85Å; L644-Y662 HydrophobicContact CB-CE1 4.43Å; L644-Y662 WeakPolarHBondContact CB-OH 3.21Å; C645-Y662 HydrophobicContact CB-CE2 4.26Å; C645-Y662 PolarHBondContact N-OH 3.06Å; V658-Y662 HydrophobicContact CG1-CD1 4.31Å; V658-Y662 HydrophobicContact CG1-CD2 4.19Å; V658-Y662 HydrophobicContact CG1-CE1 3.81Å; V658-Y662 HydrophobicContact CG1-CE2 3.68Å; V658-Y662 HydrophobicContact CG1-CG 4.46Å; V658-Y662 VanDerWaalsContact CG1-CZ 3.45Å; V658-Y662 PolarHBondContact O-N 3.37Å; L659-Y662 PolarHBondContact O-N 3.04Å; Y662-R664 VanDerWaalsContact C-N 3.27Å; Y662-R664 PolarHBondContact O-N 2.84Å; Y662-L665 PolarHBondContact O-N 3.31Å; Y662-L666 WeakPolarHBondContact O-CB 3.33Å; Y662-L666 PolarHBondContact O-N 3.09Å; Y662-L731 HydrophobicContact CD1-CD2 4.04Å; Y662-L731 HydrophobicContact CG-CD2 4.24Å; Y662-C734 HydrophobicContact CD2-CB 4.17Å; Y662-C734 HydrophobicContact CE2-CB 3.7Å; Y662-L735 HydrophobicContact CD2-CD2 4.26Å; Y662-L735 HydrophobicContact CD2-CG 4.27Å; Y662-L735 HydrophobicContact CG-CD2 4.49Å; Y662-I738 HydrophobicContact CD2-CD1 3.85Å; Y662-I738 HydrophobicContact CE2-CD1 3.61Å
663L87.8Confident83.2Confident9 Ų930.5 Ų30.55%0.04718%0.179CC..Hα-helixtrans-59.4-41.3172.5-71.2169000111L659 T667 L735 L797 A801 L804L659-L663 HydrophobicContact CD1-CD1 4.27Å; L659-L663 HydrophobicContact CD1-CG 4.4Å; L659-L663 HydrophobicContact CG-CD1 4.23Å; L659-L663 WeakPolarHBondContact O-CB 3.5Å; L659-L663 VanDerWaalsContact O-CG 3.28Å; L659-L663 WeakPolarHBondContact O-CG 3.32Å; L659-L663 PolarHBondContact O-N 3.18Å; L663-T667 WeakPolarHBondContact O-CB 3.4Å; L663-T667 VanDerWaalsContact O-CG2 3.31Å; L663-T667 WeakPolarHBondContact O-CG2 3.43Å; L663-T667 PolarHBondContact O-N 3.01Å; L663-T667 PolarHBondContact O-OG1 3.29Å; L663-L735 HydrophobicContact CD2-CD2 4.34Å; L663-L735 HydrophobicContact CG-CD2 4.31Å; L663-L797 HydrophobicContact CD1-CD1 3.57Å; L663-L797 HydrophobicContact CD1-CG 4.11Å; L663-A801 HydrophobicContact CD1-CB 4.31Å; L663-A801 HydrophobicContact CD2-CB 3.89Å; L663-L804 HydrophobicContact CD2-CD2 3.94Å
664R88Confident83.7Confident115 Ų11531 Ų3143%0.43418%0.18SC..Hα-helixtrans-62.8-48.4176-164.7-179.3-50.4152.614.4112H613 N660 L661 Y662 T667 G668H613-R664 PolarHBondContact NE2-NH1 2.87Å; N660-R664 WeakPolarHBondContact O-CB 3.34Å; N660-R664 PolarHBondContact O-N 3.21Å; N660-R664 PolarHBondContact OD1-NH2 3.23Å; L661-R664 WeakPolarHBondContact O-CB 3.33Å; L661-R664 PolarHBondContact O-N 3.37Å; Y662-R664 VanDerWaalsContact C-N 3.27Å; Y662-R664 PolarHBondContact O-N 2.84Å; R664-T667 PolarHBondContact O-N 2.7Å; R664-T667 PolarHBondContact O-OG1 2.86Å; R664-G668 PolarHBondContact O-N 2.89Å
665L87.2Confident83.5Confident14 Ų1433 Ų337%0.07319%0.191CC..Hα-helixtrans-64.6-44.3179.3-69.4167.9000112.1I616 F617 Y641 L661 Y662 G668 C669 L731I616-L665 HydrophobicContact CG2-CD2 3.93Å; F617-L665 HydrophobicContact CE1-CD2 4.22Å; F617-L665 HydrophobicContact CE2-CD2 4.44Å; F617-L665 HydrophobicContact CZ-CD2 3.71Å; F617-L665 HydrophobicContact CZ-CG 4.49Å; Y641-L665 HydrophobicContact CD1-CD1 4.22Å; Y641-L665 HydrophobicContact CE1-CD1 3.57Å; L661-L665 HydrophobicContact CD1-CD1 3.92Å; L661-L665 HydrophobicContact CD1-CG 4.16Å; L661-L665 HydrophobicContact CG-CD1 3.93Å; L661-L665 WeakPolarHBondContact O-CG 3.47Å; L661-L665 PolarHBondContact O-N 3.29Å; Y662-L665 PolarHBondContact O-N 3.31Å; L665-G668 WeakPolarHBondContact O-CA 3.19Å; L665-G668 PolarHBondContact O-N 2.93Å; L665-C669 PolarHBondContact O-N 3.43Å; L665-C669 PolarHBondContact O-SG 2.97Å; L665-L731 HydrophobicContact CB-CD1 3.79Å; L665-L731 HydrophobicContact CB-CD2 4.24Å; L665-L731 HydrophobicContact CD1-CD2 4.29Å
666L87.4Confident83.1Confident0 Ų039.6 Ų39.60%022%0.22CC..Hα-helixtrans-64.6-42.2176.9-177.359.6000111.4Y662 G668 C669 L670 F707 P728 I732 L735 L804 I808Y662-L666 WeakPolarHBondContact O-CB 3.33Å; Y662-L666 PolarHBondContact O-N 3.09Å; L666-G668 PolarHBondContact O-N 3.12Å; L666-C669 WeakPolarHBondContact O-CB 3.43Å; L666-C669 PolarHBondContact O-N 3.11Å; L666-L670 PolarHBondContact O-N 2.78Å; L666-F707 HydrophobicContact CD1-CE1 4.19Å; L666-F707 HydrophobicContact CD1-CZ 4.12Å; L666-P728 HydrophobicContact CD1-CB 4.44Å; L666-I732 HydrophobicContact CD1-CD1 4.41Å; L666-I732 HydrophobicContact CD1-CG1 3.9Å; L666-I732 HydrophobicContact CD2-CG1 4.06Å; L666-L735 HydrophobicContact CB-CD1 4.33Å; L666-L735 HydrophobicContact CD2-CD1 3.53Å; L666-L804 HydrophobicContact CD2-CD2 3.97Å; L666-L804 HydrophobicContact CG-CD2 4.44Å; L666-I808 HydrophobicContact CD2-CD1 4.07Å
667T86.3Confident82.4Confident50 Ų5038.8 Ų38.831%0.30722%0.219SC..Hα-helixtrans-65.6-19.7172.558.40000113.8L663 R664 L675 L804L663-T667 WeakPolarHBondContact O-CB 3.4Å; L663-T667 VanDerWaalsContact O-CG2 3.31Å; L663-T667 WeakPolarHBondContact O-CG2 3.43Å; L663-T667 PolarHBondContact O-N 3.01Å; L663-T667 PolarHBondContact O-OG1 3.29Å; R664-T667 PolarHBondContact O-N 2.7Å; R664-T667 PolarHBondContact O-OG1 2.86Å; T667-L675 HydrophobicContact CG2-CD2 4.42Å; T667-L804 HydrophobicContact CG2-CD2 4.3Å
668G83.5Confident81.7Confident66 Ų6638.8 Ų38.868%0.6822%0.217SC*.Hα-helixtrans-77.7-17.816900000114.2R664 L665 L666R664-G668 PolarHBondContact O-N 2.89Å; L665-G668 WeakPolarHBondContact O-CA 3.19Å; L665-G668 PolarHBondContact O-N 2.93Å; L666-G668 PolarHBondContact O-N 3.12Å
669C83.8Confident80.6Confident19 Ų1945.6 Ų45.613%0.12825%0.246CC..Hα-helixtrans-92.1-21.8177.3-59.80000113.3L665 L666 F707 P728L665-C669 PolarHBondContact O-N 3.43Å; L665-C669 PolarHBondContact O-SG 2.97Å; L666-C669 WeakPolarHBondContact O-CB 3.43Å; L666-C669 PolarHBondContact O-N 3.11Å; C669-F707 HydrophobicContact CB-CE1 4.22Å; C669-P728 HydrophobicContact CB-CB 4.18Å
670L84Confident79Confident8 Ų853.8 Ų53.84%0.04228%0.277CS..SBendtrans-76.7149.4-177.8-70.8170000112.6L666 F674 L675 P706 F707 L804 I808L666-L670 PolarHBondContact O-N 2.78Å; L670-F674 HydrophobicContact CB-CD1 4.45Å; L670-F674 HydrophobicContact CD1-CD1 4.26Å; L670-F674 HydrophobicContact CD1-CE1 4.24Å; L670-F674 HydrophobicContact CD2-CD1 3.9Å; L670-F674 HydrophobicContact CD2-CE1 3.95Å; L670-F674 HydrophobicContact CG-CD1 4.44Å; L670-L675 HydrophobicContact CB-CD1 4.36Å; L670-L675 HydrophobicContact CB-CD2 4.18Å; L670-L675 HydrophobicContact CB-CG 4.11Å; L670-L675 HydrophobicContact CD1-CD2 4.1Å; L670-P706 WeakPolarHBondContact CA-O 3.5Å; L670-P706 HydrophobicContact CD2-CB 3.85Å; L670-F707 HydrophobicContact CD2-CD1 4.18Å; L670-F707 HydrophobicContact CD2-CE1 3.5Å; L670-F707 VanDerWaalsContact CD2-CE1 3.5Å; L670-F707 HydrophobicContact CD2-CE2 4.4Å; L670-F707 HydrophobicContact CD2-CZ 3.61Å; L670-F707 HydrophobicContact CG-CE1 4.15Å; L670-L804 HydrophobicContact CD1-CD1 3.84Å; L670-I808 HydrophobicContact CD2-CD1 4.19Å; L670-I808 HydrophobicContact CD2-CG1 4.24Å
671E81.9Confident77.1Confident48 Ų4853.6 Ų53.622%0.22428%0.281CS..  trans-68137.7178.9-160.4-175.9125.700112.6S673 F674 L675 P706 I708E671-S673 WeakPolarHBondContact CG-OG 3.13Å; E671-S673 PolarHBondContact O-N 3.28Å; E671-S673 WeakPolarHBondContact OE1-CB 3.48Å; E671-S673 PolarHBondContact OE1-OG 3.18Å; E671-F674 PolarHBondContact O-N 3.09Å; E671-F674 VanDerWaalsContact O-N 3.16Å; E671-L675 PolarHBondContact O-N 3.06Å; E671-P706 PolarHBondContact N-O 2.88Å; E671-I708 HydrophobicContact CG-CD1 3.93Å; E671-I708 HydrophobicContact CG-CG1 4.41Å; E671-I708 VanDerWaalsContact OE2-CD1 3.24Å; E671-I708 WeakPolarHBondContact OE2-CD1 3.43Å; E671-I708 WeakPolarHBondContact OE2-CG1 3.36Å
672P76.8Confident74.9Confident81 Ų8157 Ų5753%0.52631%0.306SS..THydrogen-bonded Turntrans-59.1-14.1174.6-28.336.5000116.3K676P672-K676 WeakPolarHBondContact O-CD 3.39Å; P672-K676 VanDerWaalsContact O-CG 3.24Å; P672-K676 WeakPolarHBondContact O-CG 3.49Å
673S75.2Confident72.4Confident33 Ų3362.4 Ų62.423%0.23134%0.339CS..THydrogen-bonded Turntrans-75.4-54.4170.554.70000110.9E671 L675 K676 T677E671-S673 WeakPolarHBondContact CG-OG 3.13Å; E671-S673 PolarHBondContact O-N 3.28Å; E671-S673 WeakPolarHBondContact OE1-CB 3.48Å; E671-S673 PolarHBondContact OE1-OG 3.18Å; S673-L675 VanDerWaalsContact C-N 3.27Å; S673-L675 PolarHBondContact O-N 3.46Å; S673-K676 WeakPolarHBondContact O-CA 3.25Å; S673-K676 WeakPolarHBondContact O-CB 3.35Å; S673-K676 PolarHBondContact O-N 2.84Å; S673-T677 PolarHBondContact O-N 3.32Å; S673-T677 VanDerWaalsContact O-N 3.12Å
674F79.7Confident69.8Low13 Ų1369.8 Ų69.86%0.05737%0.373CS..Hα-helixtrans-57.7-37.1174.7-173.7-106.9000112.5L670 E671 K676 T677 L678 P706 I808L670-F674 HydrophobicContact CB-CD1 4.45Å; L670-F674 HydrophobicContact CD1-CD1 4.26Å; L670-F674 HydrophobicContact CD1-CE1 4.24Å; L670-F674 HydrophobicContact CD2-CD1 3.9Å; L670-F674 HydrophobicContact CD2-CE1 3.95Å; L670-F674 HydrophobicContact CG-CD1 4.44Å; E671-F674 PolarHBondContact O-N 3.09Å; E671-F674 VanDerWaalsContact O-N 3.16Å; F674-K676 VanDerWaalsContact C-N 3.27Å; F674-K676 PolarHBondContact O-N 3.4Å; F674-T677 WeakPolarHBondContact CA-OG1 3.22Å; F674-T677 PolarHBondContact O-N 3.45Å; F674-T677 PolarHBondContact O-OG1 3.48Å; F674-L678 HydrophobicContact CD1-CD1 3.8Å; F674-L678 HydrophobicContact CD1-CG 4.45Å; F674-L678 HydrophobicContact CE1-CD1 3.57Å; F674-L678 HydrophobicContact CE1-CG 4.22Å; F674-L678 HydrophobicContact CZ-CD1 4.22Å; F674-L678 HydrophobicContact CZ-CG 4.43Å; F674-L678 WeakPolarHBondContact O-CB 3.24Å; F674-L678 WeakPolarHBondContact O-CG 3.48Å; F674-L678 PolarHBondContact O-N 2.98Å; F674-P706 HydrophobicContact CD1-CB 4.29Å; F674-P706 HydrophobicContact CE1-CB 4.26Å; F674-P706 HydrophobicContact CG-CB 4.46Å; F674-P706 HydrophobicContact CZ-CB 4.42Å; F674-I808 HydrophobicContact CE1-CG1 4.16Å; F674-I808 HydrophobicContact CZ-CG1 4.33Å
675L73.6Confident67.1Low45 Ų4569.3 Ų69.324%0.23638%0.379CS..Hα-helixtrans-68.8-19.5172.7-68.3173.3000114.1T667 L670 E671 S673 L678 K679T667-L675 HydrophobicContact CG2-CD2 4.42Å; L670-L675 HydrophobicContact CB-CD1 4.36Å; L670-L675 HydrophobicContact CB-CD2 4.18Å; L670-L675 HydrophobicContact CB-CG 4.11Å; L670-L675 HydrophobicContact CD1-CD2 4.1Å; E671-L675 PolarHBondContact O-N 3.06Å; S673-L675 VanDerWaalsContact C-N 3.27Å; S673-L675 PolarHBondContact O-N 3.46Å; L675-L678 HydrophobicContact CD2-CD1 4.31Å; L675-K679 VanDerWaalsContact O-CG 3.31Å; L675-K679 WeakPolarHBondContact O-CG 3.42Å; L675-K679 PolarHBondContact O-N 3.31Å
676K73.1Confident64.4Low138 Ų13873 Ų7360%0.641%0.407SS*.Hα-helixtrans-84.4-37.8173-72.8165.5-175.5178.10111.8P672 S673 F674 K679 R680P672-K676 WeakPolarHBondContact O-CD 3.39Å; P672-K676 VanDerWaalsContact O-CG 3.24Å; P672-K676 WeakPolarHBondContact O-CG 3.49Å; S673-K676 WeakPolarHBondContact O-CA 3.25Å; S673-K676 WeakPolarHBondContact O-CB 3.35Å; S673-K676 PolarHBondContact O-N 2.84Å; F674-K676 VanDerWaalsContact C-N 3.27Å; F674-K676 PolarHBondContact O-N 3.4Å; K676-K679 PolarHBondContact O-N 2.96Å; K676-R680 WeakPolarHBondContact O-CG 3.43Å; K676-R680 PolarHBondContact O-N 2.91Å; K676-R680 VanDerWaalsContact O-N 3.13Å
677T65.9Low61.5Low51 Ų5180 Ų8031%0.31344%0.443SS..Hα-helixtrans-66.2-46.617552.90000110.7S673 F674 K679 R680 S681S673-T677 PolarHBondContact O-N 3.32Å; S673-T677 VanDerWaalsContact O-N 3.12Å; F674-T677 WeakPolarHBondContact CA-OG1 3.22Å; F674-T677 PolarHBondContact O-N 3.45Å; F674-T677 PolarHBondContact O-OG1 3.48Å; T677-K679 VanDerWaalsContact C-N 3.29Å; T677-K679 PolarHBondContact O-N 3.44Å; T677-R680 PolarHBondContact O-N 3.39Å; T677-S681 PolarHBondContact O-N 3.35Å
678L66.6Low58.6Low37 Ų3784.3 Ų84.319%0.19446%0.464CS..Hα-helixtrans-52.5-41.7171.8-81.6174.2000113.8F674 L675 S681 S682 L804 S807F674-L678 HydrophobicContact CD1-CD1 3.8Å; F674-L678 HydrophobicContact CD1-CG 4.45Å; F674-L678 HydrophobicContact CE1-CD1 3.57Å; F674-L678 HydrophobicContact CE1-CG 4.22Å; F674-L678 HydrophobicContact CZ-CD1 4.22Å; F674-L678 HydrophobicContact CZ-CG 4.43Å; F674-L678 WeakPolarHBondContact O-CB 3.24Å; F674-L678 WeakPolarHBondContact O-CG 3.48Å; F674-L678 PolarHBondContact O-N 2.98Å; L675-L678 HydrophobicContact CD2-CD1 4.31Å; L678-S681 PolarHBondContact O-OG 2.72Å; L678-S682 PolarHBondContact O-N 2.74Å; L678-L804 HydrophobicContact CD1-CD1 3.92Å; L678-S807 WeakPolarHBondContact CD2-OG 3.24Å
679K61.7Low56Low148 Ų14887.6 Ų87.664%0.64347%0.465SS*.Hα-helixtrans-70.1-35177.9-78.6179179.2-175.30112.4L675 K676 T677 S682 V683L675-K679 VanDerWaalsContact O-CG 3.31Å; L675-K679 WeakPolarHBondContact O-CG 3.42Å; L675-K679 PolarHBondContact O-N 3.31Å; K676-K679 PolarHBondContact O-N 2.96Å; T677-K679 VanDerWaalsContact C-N 3.29Å; T677-K679 PolarHBondContact O-N 3.44Å; K679-S682 PolarHBondContact O-N 3.45Å; K679-S682 PolarHBondContact O-OG 3.39Å; K679-V683 WeakPolarHBondContact O-CG2 3.12Å
680R51.2Low53.4Low173 Ų17393.3 Ų93.365%0.65349%0.493SS*.Hα-helixtrans-67.6-44.3-179.6-77.1173.8172.1175.6-5112.5K676 T677 S682 V683K676-R680 WeakPolarHBondContact O-CG 3.43Å; K676-R680 PolarHBondContact O-N 2.91Å; K676-R680 VanDerWaalsContact O-N 3.13Å; T677-R680 PolarHBondContact O-N 3.39Å; R680-S682 VanDerWaalsContact C-N 3.33Å; R680-S682 PolarHBondContact O-N 3.24Å; R680-V683 PolarHBondContact O-N 3.24Å
681S47.3Very low50.8Low64 Ų6498.6 Ų98.645%0.44853%0.528SS..Hα-helixtrans-63.1-38.8175.856.50000112.3T677 L678 V683 Q684 N685T677-S681 PolarHBondContact O-N 3.35Å; L678-S681 PolarHBondContact O-OG 2.72Å; S681-V683 PolarHBondContact O-N 3.19Å; S681-Q684 PolarHBondContact O-N 2.96Å; S681-N685 PolarHBondContact O-OD1 3.17Å
682S41.9Very low48.3Very low84 Ų84100.7 Ų100.759%0.58754%0.544SS*.THydrogen-bonded Turntrans-63.7-12.2-179.771.80000115.7L678 K679 R680L678-S682 PolarHBondContact O-N 2.74Å; K679-S682 PolarHBondContact O-N 3.45Å; K679-S682 PolarHBondContact O-OG 3.39Å; R680-S682 VanDerWaalsContact C-N 3.33Å; R680-S682 PolarHBondContact O-N 3.24Å
683V38.2Very low46.1Very low115 Ų115104.1 Ų104.170%0.69755%0.553SS**THydrogen-bonded Turntrans-94.7-12.1-178.6173.20000112.8K679 R680 S681K679-V683 WeakPolarHBondContact O-CG2 3.12Å; R680-V683 PolarHBondContact O-N 3.24Å; S681-V683 PolarHBondContact O-N 3.19Å
684Q32.7Very low43.9Very low163 Ų163109.1 Ų109.176%0.76258%0.583SS**THydrogen-bonded Turntrans-103.9-18.7177.4-66.6-175.5-73.200113.8S681 S686S681-Q684 PolarHBondContact O-N 2.96Å; Q684-S686 VanDerWaalsContact C-N 3.28Å; Q684-S686 PolarHBondContact O-N 3.05Å; Q684-S686 VanDerWaalsContact O-N 3.16Å
685N31.6Very low41.5Very low105 Ų105114.5 Ų114.556%0.56161%0.612SS**  trans-89.737.2-173.7-68.630.3000114.2S681S681-N685 PolarHBondContact O-OD1 3.17Å
686S30.4Very low39.5Very low93 Ų93118.2 Ų118.265%0.6564%0.639SS**SBendtrans-90.9110.9159.258.10000108Q684Q684-S686 VanDerWaalsContact C-N 3.28Å; Q684-S686 PolarHBondContact O-N 3.05Å; Q684-S686 VanDerWaalsContact O-N 3.16Å
687L25.3Very low37.6Very low145 Ų145117.3 Ų117.376%0.75965%0.645SS**SBendtrans79.7131-153.9-61.5135.9000113.4
688N26.8Very low36Very low141 Ų141121 Ų12175%0.75466%0.663SS**  trans22.7148143.1-50.9-1000120.7
689I29.3Very low34.5Very low135 Ų135124 Ų12469%0.69268%0.682SS**  trans91.5108.8168.3-55.3163000114.4
690L27.9Very low33.3Very low140 Ų140123.4 Ų123.473%0.73369%0.686SS**  trans-57.3133.1160.2-159.582.4000108.4T692L690-T692 PolarHBondContact O-N 2.84Å
691P29.8Very low33Very low119 Ų119122 Ų12277%0.77369%0.685SS**  trans-67.292-170.626-35.2000112.7
692T29.6Very low33.2Very low91 Ų91124.3 Ų124.356%0.55869%0.691SS**  trans-81.8121.9176.839.10000111.2L690L690-T692 PolarHBondContact O-N 2.84Å
693Q29.3Very low33.9Very low153 Ų153126.2 Ų126.272%0.71569%0.691SS**  trans48.476.6160.3-60.6-171.1-21.500117.1S881Q693-S881 PolarHBondContact NE2-OG 2.83Å
694T29.9Very low35.2Very low139 Ų139122 Ų12285%0.85367%0.666SS**  trans-75.5139.1149.651.20000110
695N28.4Very low37.2Very low126 Ų126115.5 Ų115.567%0.67464%0.638SS**  trans-53148.2-176.1-71.1-43000113.9T697N695-T697 PolarHBondContact O-N 2.71Å
696P33.3Very low39.4Very low123 Ų123110.5 Ų110.580%0.79961%0.611SS**THydrogen-bonded Turntrans-75.835.7-175.534.4-38.8000114.1
697T33.2Very low41.9Very low118 Ų118106.2 Ų106.272%0.72458%0.581SS**THydrogen-bonded Turntrans-126.710.7-174.353.30000113.8N695N695-T697 PolarHBondContact O-N 2.71Å
698N30.9Very low44.5Very low129 Ų129101.8 Ų101.869%0.6956%0.558SS**  trans-141104.4171.6-107.5-39.9000109
699V35.2Very low47Very low99 Ų9995.5 Ų95.560%0.652%0.524SS*.  trans-104.5-14.1-163.6-174.70000113.3F701V699-F701 VanDerWaalsContact C-N 3.27Å; V699-F701 PolarHBondContact O-N 2.85Å
700D37Very low49.2Very low136 Ų13693.7 Ų93.773%0.72752%0.516SS*.THydrogen-bonded Turntrans-710.6-159.8-61.4-8.8000117.5
701F45Very low51.6Low143 Ų14393.5 Ų93.563%0.62751%0.509SS*.THydrogen-bonded Turntrans-103.8-7.4-155.6-88.2-87.4000118.8V699V699-F701 VanDerWaalsContact C-N 3.27Å; V699-F701 PolarHBondContact O-N 2.85Å
702I52.6Low54Low113 Ų11388.3 Ų88.358%0.57948%0.475SS*.SBendtrans-134.923.5-174.8-26.9-179.4000114.8L814I702-L814 HydrophobicContact CB-CD1 3.97Å; I702-L814 HydrophobicContact CD1-CD1 4.36Å; I702-L814 HydrophobicContact CG2-CD1 3.65Å
703H56.4Low56.5Low124 Ų12484 Ų8457%0.57445%0.448SS*.  trans-96.99.7-172.7-75.5-72.8000116.8
704S65.8Low58.8Low27 Ų2780.9 Ų80.919%0.18944%0.437CS..  trans-85.9125.5177.560.60000112.3
705P73.5Confident61Low26 Ų2676.1 Ų76.117%0.16941%0.406CS..  trans-65.4143.6173.227.5-33.8000111.6F707 L815 F820P705-F707 VanDerWaalsContact C-N 3.25Å; P705-F707 PolarHBondContact O-N 2.94Å; P705-L815 HydrophobicContact CB-CD1 4.12Å; P705-L815 HydrophobicContact CB-CD2 4.25Å; P705-F820 HydrophobicContact CB-CE1 4.18Å
706P78Confident63.1Low0 Ų071.5 Ų71.50%038%0.381CS..SBendtrans-68.6-25.8-179.728.5-36.9000112.6L670 E671 F674 S811 L815L670-P706 WeakPolarHBondContact CA-O 3.5Å; L670-P706 HydrophobicContact CD2-CB 3.85Å; E671-P706 PolarHBondContact N-O 2.88Å; F674-P706 HydrophobicContact CD1-CB 4.29Å; F674-P706 HydrophobicContact CE1-CB 4.26Å; F674-P706 HydrophobicContact CG-CB 4.46Å; F674-P706 HydrophobicContact CZ-CB 4.42Å; P706-S811 WeakPolarHBondContact CG-OG 3.49Å; P706-L815 VanDerWaalsContact CD-CD1 3.41Å
707F83.7Confident64.6Low3 Ų370.9 Ų70.91%0.01338%0.38CS..  trans-136.5125.9-172.2-58.2-65.8000112.1L666 C669 L670 P705 L709 L712 P728 I732 I808 I847L666-F707 HydrophobicContact CD1-CE1 4.19Å; L666-F707 HydrophobicContact CD1-CZ 4.12Å; C669-F707 HydrophobicContact CB-CE1 4.22Å; L670-F707 HydrophobicContact CD2-CD1 4.18Å; L670-F707 HydrophobicContact CD2-CE1 3.5Å; L670-F707 VanDerWaalsContact CD2-CE1 3.5Å; L670-F707 HydrophobicContact CD2-CE2 4.4Å; L670-F707 HydrophobicContact CD2-CZ 3.61Å; L670-F707 HydrophobicContact CG-CE1 4.15Å; P705-F707 VanDerWaalsContact C-N 3.25Å; P705-F707 PolarHBondContact O-N 2.94Å; F707-L709 PolarHBondContact O-N 3.46Å; F707-L712 HydrophobicContact CB-CD1 3.93Å; F707-L712 HydrophobicContact CD1-CD1 4.36Å; F707-L712 HydrophobicContact CG-CD1 4.42Å; F707-P728 HydrophobicContact CD1-CB 4.41Å; F707-P728 HydrophobicContact CE1-CB 3.97Å; F707-P728 HydrophobicContact CZ-CB 4.37Å; F707-I732 HydrophobicContact CE2-CD1 4.05Å; F707-I732 HydrophobicContact CZ-CD1 3.88Å; F707-I808 HydrophobicContact CE2-CG2 4.23Å; F707-I808 HydrophobicContact CZ-CD1 4.44Å; F707-I847 HydrophobicContact CD2-CD1 3.93Å; F707-I847 HydrophobicContact CE2-CD1 4.15Å; F707-I847 HydrophobicContact CE2-CG2 4.28Å
708I78.4Confident66Low53 Ų5371.2 Ų71.227%0.27238%0.381SS..  trans-87.6104.2169-60.7165.9000108.6E671 N710 K711E671-I708 HydrophobicContact CG-CD1 3.93Å; E671-I708 HydrophobicContact CG-CG1 4.41Å; E671-I708 VanDerWaalsContact OE2-CD1 3.24Å; E671-I708 WeakPolarHBondContact OE2-CD1 3.43Å; E671-I708 WeakPolarHBondContact OE2-CG1 3.36Å; I708-N710 HydrophobicContact CG2-CB 4.22Å; I708-N710 PolarHBondContact O-N 2.75Å; I708-N710 VanDerWaalsContact O-N 3.14Å; I708-K711 HydrophobicContact CB-CD 4.15Å; I708-K711 HydrophobicContact CB-CG 4.23Å; I708-K711 HydrophobicContact CD1-CD 3.98Å; I708-K711 HydrophobicContact CG2-CD 4.29Å; I708-K711 HydrophobicContact CG2-CG 4Å; I708-K711 PolarHBondContact O-N 2.72Å
709L80.3Confident67.7Low8 Ų867.2 Ų67.24%0.04236%0.363CS..Hα-helixtrans-55.7-33.6-176.5-64.8173.4000113.3F707 K711 L712 I713 F820 R840 L843F707-L709 PolarHBondContact O-N 3.46Å; L709-K711 VanDerWaalsContact C-N 3.26Å; L709-K711 PolarHBondContact O-N 3.13Å; L709-L712 PolarHBondContact O-N 3.33Å; L709-L712 VanDerWaalsContact O-N 3.17Å; L709-I713 PolarHBondContact O-N 2.82Å; L709-F820 HydrophobicContact CD1-CB 4.03Å; L709-F820 HydrophobicContact CD1-CD1 4.31Å; L709-R840 HydrophobicContact CB-CB 4.45Å; L709-R840 HydrophobicContact CB-CG 4.21Å; L709-R840 HydrophobicContact CD1-CB 4.3Å; L709-L843 HydrophobicContact CD2-CD2 4.18Å
710N74.9Confident69.2Low98 Ų9866.8 Ų66.852%0.52436%0.357SS..Hα-helixtrans-65.6-22.7177.4-64.6-5000114.1I708 R840I708-N710 HydrophobicContact CG2-CB 4.22Å; I708-N710 PolarHBondContact O-N 2.75Å; I708-N710 VanDerWaalsContact O-N 3.14Å; N710-R840 PolarHBondContact OD1-NH1 2.9Å; N710-R840 PolarHBondContact OD1-NH2 3.48Å
711K79.1Confident70.8Confident136 Ų13664.1 Ų64.159%0.59134%0.341SS*.Hα-helixtrans-87.1-17176.2-65.9-179.4-178.5172.80112.8I708 L709 T725I708-K711 HydrophobicContact CB-CD 4.15Å; I708-K711 HydrophobicContact CB-CG 4.23Å; I708-K711 HydrophobicContact CD1-CD 3.98Å; I708-K711 HydrophobicContact CG2-CD 4.29Å; I708-K711 HydrophobicContact CG2-CG 4Å; I708-K711 PolarHBondContact O-N 2.72Å; L709-K711 VanDerWaalsContact C-N 3.26Å; L709-K711 PolarHBondContact O-N 3.13Å; K711-T725 PolarHBondContact O-OG1 3.47Å
712L80.5Confident72.2Confident9 Ų959 Ų595%0.04732%0.319CS..Hα-helixtrans-96.7-38.5-176.5-65.2168.3000111.7F707 L709 R724 T725 E726 P728 L843F707-L712 HydrophobicContact CB-CD1 3.93Å; F707-L712 HydrophobicContact CD1-CD1 4.36Å; F707-L712 HydrophobicContact CG-CD1 4.42Å; L709-L712 PolarHBondContact O-N 3.33Å; L709-L712 VanDerWaalsContact O-N 3.17Å; L712-R724 WeakPolarHBondContact O-CA 3.1Å; L712-T725 WeakPolarHBondContact CA-OG1 3.36Å; L712-T725 PolarHBondContact O-N 3.06Å; L712-T725 PolarHBondContact O-OG1 3.34Å; L712-E726 HydrophobicContact CD2-CB 4.45Å; L712-P728 HydrophobicContact CD1-CG 3.88Å; L712-P728 HydrophobicContact CD2-CG 4.03Å; L712-L843 HydrophobicContact CB-CD2 4.01Å; L712-L843 HydrophobicContact CD1-CD2 4.15Å
713I81.7Confident73.2Confident1 Ų155.5 Ų55.51%0.00530%0.302CS..EExtended strand (participates in β ladder)trans-132.2116.9176-46-175.3000109.4L709 I722 L723 R724 L836 D839 R840 L843L709-I713 PolarHBondContact O-N 2.82Å; I713-I722 HydrophobicContact CG2-CG2 3.33Å; I713-L723 WeakPolarHBondContact CA-O 3.24Å; I713-R724 HydrophobicContact CG1-CG 4.4Å; I713-L836 HydrophobicContact CB-CD1 4.42Å; I713-L836 HydrophobicContact CG2-CD1 3.64Å; I713-D839 HydrophobicContact CD1-CB 4.23Å; I713-D839 WeakPolarHBondContact CD1-O 3.33Å; I713-R840 HydrophobicContact CB-CG 4.17Å; I713-R840 HydrophobicContact CD1-CG 4.32Å; I713-R840 PolarHBondContact O-NE 3.31Å; I713-R840 PolarHBondContact O-NH2 3.19Å; I713-L843 HydrophobicContact CD1-CB 4.02Å; I713-L843 HydrophobicContact CD1-CD2 3.87Å; I713-L843 HydrophobicContact CG1-CD2 3.98Å
714D76.7Confident74.1Confident88 Ų8850.2 Ų50.247%0.47128%0.277SS..EExtended strand (participates in β ladder)trans-125.2169.8-177.5-161.210.4000111.2L723D714-L723 PolarHBondContact N-O 3.06Å; D714-L723 PolarHBondContact O-N 3.24Å
715L76.4Confident74.6Confident39 Ų3951.3 Ų51.320%0.20428%0.282CS..EExtended strand (participates in β ladder)trans-110.9124.4177.1-170.773.8000109.7S717 N720 I722 L836L715-S717 PolarHBondContact O-N 2.99Å; L715-S717 VanDerWaalsContact O-N 3.11Å; L715-N720 WeakPolarHBondContact CD1-O 3.38Å; L715-I722 HydrophobicContact CD1-CG1 4.13Å; L715-L836 HydrophobicContact CB-CD2 4.24Å
716N71.9Confident74.9Confident28 Ų2851.8 Ų51.815%0.1528%0.282CS..  trans-65.7115.2173.2-174.17.1000109.9L629 V718 S719 N720 E721 L723L629-N716 WeakPolarHBondContact CD2-ND2 3.47Å; N716-V718 PolarHBondContact O-N 2.99Å; N716-V718 VanDerWaalsContact O-N 3.1Å; N716-V718 PolarHBondContact OD1-N 2.85Å; N716-S719 WeakPolarHBondContact CB-OG 3.49Å; N716-S719 PolarHBondContact ND2-OG 3.34Å; N716-S719 PolarHBondContact O-N 2.8Å; N716-N720 WeakPolarHBondContact O-CA 3.25Å; N716-N720 PolarHBondContact O-N 3.26Å; N716-E721 PolarHBondContact N-O 2.83Å; N716-L723 HydrophobicContact CB-CD1 3.9Å; N716-L723 HydrophobicContact CB-CG 4.11Å
717S65.6Low75.1Confident111 Ų11152.6 Ų52.678%0.77629%0.286SS*.THydrogen-bonded Turntrans-60.8-19.9-179.857.20000113.9L715L715-S717 PolarHBondContact O-N 2.99Å; L715-S717 VanDerWaalsContact O-N 3.11Å
718V63.2Low75.2Confident125 Ų12552.4 Ų52.476%0.75829%0.285SS*.THydrogen-bonded Turntrans-93.7-45.4-180-175.10000112.7N716N716-V718 PolarHBondContact O-N 2.99Å; N716-V718 VanDerWaalsContact O-N 3.1Å; N716-V718 PolarHBondContact OD1-N 2.85Å
719S65.2Low75.5Confident44 Ų4450.5 Ų50.531%0.30828%0.276SS..THydrogen-bonded Turntrans-101.2-8.1-174.866.80000115.4N716 E721N716-S719 WeakPolarHBondContact CB-OG 3.49Å; N716-S719 PolarHBondContact ND2-OG 3.34Å; N716-S719 PolarHBondContact O-N 2.8Å; S719-E721 WeakPolarHBondContact CB-OE2 3.19Å; S719-E721 PolarHBondContact O-N 3.34Å; S719-E721 WeakPolarHBondContact OG-CB 3.5Å; S719-E721 WeakPolarHBondContact OG-CG 3.48Å; S719-E721 PolarHBondContact OG-N 3.06Å; S719-E721 PolarHBondContact OG-OE2 3.32Å
720N68.1Low75.6Confident90 Ų9050.3 Ų50.348%0.48128%0.275SS..  trans57.117.5-169.4-74.8-77.1000114.5L715 N716 T832L715-N720 WeakPolarHBondContact CD1-O 3.38Å; N716-N720 WeakPolarHBondContact O-CA 3.25Å; N716-N720 PolarHBondContact O-N 3.26Å; N720-T832 HydrophobicContact CB-CG2 4.21Å
721E70.8Confident76.2Confident81 Ų8145.7 Ų45.738%0.37925%0.25SC..PPolyproline II helixtrans-82.5146.4174-65.5166.5133.900110.8N716 S719N716-E721 PolarHBondContact N-O 2.83Å; S719-E721 WeakPolarHBondContact CB-OE2 3.19Å; S719-E721 PolarHBondContact O-N 3.34Å; S719-E721 WeakPolarHBondContact OG-CB 3.5Å; S719-E721 WeakPolarHBondContact OG-CG 3.48Å; S719-E721 PolarHBondContact OG-N 3.06Å; S719-E721 PolarHBondContact OG-OE2 3.32Å
722I73.3Confident76.7Confident34 Ų3439.2 Ų39.217%0.17422%0.222CC..EExtended strand (participates in β ladder)trans-84.7118.8178.2-64.8168000108.1I713 L715 K835 L836I713-I722 HydrophobicContact CG2-CG2 3.33Å; L715-I722 HydrophobicContact CD1-CG1 4.13Å; I722-K835 HydrophobicContact CD1-CB 3.77Å; I722-L836 HydrophobicContact CD1-CB 4.33Å; I722-L836 HydrophobicContact CG1-CB 4.48Å; I722-L836 HydrophobicContact CG1-CD1 4.41Å; I722-L836 HydrophobicContact CG2-CD1 4.06Å
723L73.3Confident77Confident40 Ų4038.8 Ų38.821%0.20922%0.22CC..EExtended strand (participates in β ladder)trans-99.4126.8-179.2-62-178.5000110.7P632 I713 D714 N716P632-L723 HydrophobicContact CB-CD2 3.78Å; P632-L723 WeakPolarHBondContact O-CA 3.34Å; I713-L723 WeakPolarHBondContact CA-O 3.24Å; D714-L723 PolarHBondContact N-O 3.06Å; D714-L723 PolarHBondContact O-N 3.24Å; N716-L723 HydrophobicContact CB-CD1 3.9Å; N716-L723 HydrophobicContact CB-CG 4.11Å
724R75.4Confident77.3Confident13 Ų1338.8 Ų38.85%0.04922%0.22CC..EExtended strand (participates in β ladder)trans-95129.2166.5-73.6-171.2166.964.722.3110.4P632 E633 N634 L712 I713 H727 D839 R926P632-R724 PolarHBondContact O-N 3.24Å; E633-R724 IonicContact OE1-CZ 2.77Å; E633-R724 IonicContact OE1-NH1 3.35Å; E633-R724 PolarHBondContact OE1-NH1 3.27Å; N634-R724 PolarHBondContact ND2-O 3.46Å; L712-R724 WeakPolarHBondContact O-CA 3.1Å; I713-R724 HydrophobicContact CG1-CG 4.4Å; R724-H727 VanDerWaalsContact CD-CE1 3.48Å; R724-H727 WeakPolarHBondContact CD-CE1 3.22Å; R724-D839 IonicContact CZ-OD2 3.56Å; R724-D839 IonicContact NH1-OD2 3.47Å; R724-D839 PolarHBondContact NH1-OD2 3.46Å; R724-D839 VanDerWaalsContact NH1-OD2 3.15Å; R724-D839 IonicContact NH2-OD1 3.59Å; R724-D839 IonicContact NH2-OD2 3.75Å; R724-D839 PolarHBondContact NH2-OD2 2.87Å; R724-R926 VanDerWaalsContact NH2-CZ 3.29Å
725T75.9Confident77.8Confident50 Ų5034.7 Ų34.731%0.30720%0.198SC..  trans-90.9-41.1-179.961.50000112.8K711 L712K711-T725 PolarHBondContact O-OG1 3.47Å; L712-T725 WeakPolarHBondContact CA-OG1 3.36Å; L712-T725 PolarHBondContact O-N 3.06Å; L712-T725 PolarHBondContact O-OG1 3.34Å
726E80.3Confident78.3Confident36 Ų3632.9 Ų32.917%0.16819%0.188CC..  trans-149.3167.3175.9-65-58.9163.400110.7R622 K637 Y641 L712 P728R622-E726 IonicContact NH2-OE1 3.88Å; K637-E726 VanDerWaalsContact NZ-CD 3.29Å; K637-E726 IonicContact NZ-OE1 2.94Å; K637-E726 PolarHBondContact NZ-OE1 3.16Å; K637-E726 IonicContact NZ-OE2 3.21Å; K637-E726 PolarHBondContact NZ-OE2 3.49Å; Y641-E726 PolarHBondContact OH-OE2 3.38Å; L712-E726 HydrophobicContact CD2-CB 4.45Å; E726-P728 WeakPolarHBondContact O-CD 3.42Å
727H81.8Confident79Confident17 Ų1731.7 Ų31.78%0.07918%0.182CC..  trans-121.977.2-177.3-64.6-101.9000111.3E633 Y641 R724 D729 T730 L731E633-H727 PolarHBondContact O-CE1 3.4Å; E633-H727 PolarHBondContact O-NE2 2.91Å; Y641-H727 HydrophobicContact CD2-CB 4.49Å; R724-H727 VanDerWaalsContact CD-CE1 3.48Å; R724-H727 WeakPolarHBondContact CD-CE1 3.22Å; H727-D729 PolarHBondContact O-N 3.44Å; H727-T730 WeakPolarHBondContact O-CB 3.38Å; H727-T730 PolarHBondContact O-N 3.15Å; H727-L731 PolarHBondContact O-N 3.09Å; H727-L731 VanDerWaalsContact O-N 3.17Å
728P86Confident79.9Confident0 Ų026.4 Ų26.40%015%0.145CC..Hα-helixtrans-69.9-29.4-175.627-33.7000113.3L666 C669 F707 L712 E726 L731 I732 L843 I847L666-P728 HydrophobicContact CD1-CB 4.44Å; C669-P728 HydrophobicContact CB-CB 4.18Å; F707-P728 HydrophobicContact CD1-CB 4.41Å; F707-P728 HydrophobicContact CE1-CB 3.97Å; F707-P728 HydrophobicContact CZ-CB 4.37Å; L712-P728 HydrophobicContact CD1-CG 3.88Å; L712-P728 HydrophobicContact CD2-CG 4.03Å; E726-P728 WeakPolarHBondContact O-CD 3.42Å; P728-L731 PolarHBondContact O-N 2.7Å; P728-I732 VanDerWaalsContact O-CG1 3.23Å; P728-I732 WeakPolarHBondContact O-CG1 3.44Å; P728-I732 PolarHBondContact O-N 3.22Å; P728-L843 HydrophobicContact CG-CD1 4.3Å; P728-I847 HydrophobicContact CG-CD1 4.47Å
729D84.8Confident80.9Confident13 Ų1320.5 Ų20.57%0.0711%0.109CC..Hα-helixtrans-59-46.7172.460-19.2000112H727 L731 I732 W733 L843 N846 I847H727-D729 PolarHBondContact O-N 3.44Å; D729-L731 VanDerWaalsContact C-N 3.34Å; D729-L731 PolarHBondContact O-N 3.08Å; D729-I732 PolarHBondContact O-N 2.9Å; D729-W733 WeakPolarHBondContact O-CB 3.34Å; D729-W733 PolarHBondContact O-N 3.44Å; D729-L843 HydrophobicContact CB-CD1 3.83Å; D729-L843 VanDerWaalsContact CG-CD1 3.47Å; D729-N846 HydrophobicContact CB-CB 3.68Å; D729-N846 WeakPolarHBondContact OD2-CB 3.32Å; D729-N846 PolarHBondContact OD2-ND2 3.44Å; D729-I847 HydrophobicContact CB-CG1 3.98Å
730T83.6Confident81.6Confident4 Ų418.5 Ų18.53%0.02510%0.095CC..Hα-helixtrans-60.9-42.8175.1-60.30000110.7Y641 W642 H727 C734Y641-T730 HydrophobicContact CD2-CG2 4.43Å; W642-T730 HydrophobicContact CD2-CG2 3.72Å; W642-T730 HydrophobicContact CE3-CG2 3.91Å; W642-T730 HydrophobicContact CG-CG2 4.34Å; W642-T730 HydrophobicContact CH2-CG2 3.96Å; W642-T730 HydrophobicContact CZ2-CG2 3.74Å; W642-T730 HydrophobicContact CZ3-CG2 4.01Å; H727-T730 WeakPolarHBondContact O-CB 3.38Å; H727-T730 PolarHBondContact O-N 3.15Å; T730-C734 VanDerWaalsContact O-CB 3.23Å; T730-C734 WeakPolarHBondContact O-CB 3.31Å; T730-C734 PolarHBondContact O-N 2.94Å; T730-C734 PolarHBondContact O-SG 2.78Å
731L87.7Confident82.1Confident0 Ų014.9 Ų14.90%08%0.075CC..Hα-helixtrans-68-44179.3-71.3170.3000112.8Y641 Y662 L665 H727 P728 D729 C734 L735Y641-L731 HydrophobicContact CD1-CD2 4.34Å; Y641-L731 HydrophobicContact CD2-CD2 3.88Å; Y641-L731 HydrophobicContact CD2-CG 4.04Å; Y641-L731 HydrophobicContact CE2-CD1 4.27Å; Y641-L731 HydrophobicContact CE2-CD2 4.18Å; Y641-L731 HydrophobicContact CE2-CG 4.19Å; Y641-L731 HydrophobicContact CG-CD2 3.98Å; Y662-L731 HydrophobicContact CD1-CD2 4.04Å; Y662-L731 HydrophobicContact CG-CD2 4.24Å; L665-L731 HydrophobicContact CB-CD1 3.79Å; L665-L731 HydrophobicContact CB-CD2 4.24Å; L665-L731 HydrophobicContact CD1-CD2 4.29Å; H727-L731 PolarHBondContact O-N 3.09Å; H727-L731 VanDerWaalsContact O-N 3.17Å; P728-L731 PolarHBondContact O-N 2.7Å; D729-L731 VanDerWaalsContact C-N 3.34Å; D729-L731 PolarHBondContact O-N 3.08Å; L731-C734 PolarHBondContact O-N 3.1Å; L731-L735 WeakPolarHBondContact O-CB 3.47Å; L731-L735 VanDerWaalsContact O-CG 3.3Å; L731-L735 WeakPolarHBondContact O-CG 3.35Å; L731-L735 PolarHBondContact O-N 3.4Å
732I88.3Confident82.3Confident1 Ų114.5 Ų14.51%0.0058%0.08CC..Hα-helixtrans-61.6-46.8177.3-67.3165000110L666 F707 P728 D729 L735 Q736 L805 I847 A850L666-I732 HydrophobicContact CD1-CD1 4.41Å; L666-I732 HydrophobicContact CD1-CG1 3.9Å; L666-I732 HydrophobicContact CD2-CG1 4.06Å; F707-I732 HydrophobicContact CE2-CD1 4.05Å; F707-I732 HydrophobicContact CZ-CD1 3.88Å; P728-I732 VanDerWaalsContact O-CG1 3.23Å; P728-I732 WeakPolarHBondContact O-CG1 3.44Å; P728-I732 PolarHBondContact O-N 3.22Å; D729-I732 PolarHBondContact O-N 2.9Å; I732-L735 PolarHBondContact O-N 3.43Å; I732-Q736 WeakPolarHBondContact O-CB 3.49Å; I732-Q736 PolarHBondContact O-N 2.83Å; I732-L805 HydrophobicContact CG2-CD2 3.8Å; I732-I847 HydrophobicContact CD1-CG1 4.31Å; I732-I847 HydrophobicContact CD1-CG2 4.04Å; I732-A850 HydrophobicContact CB-CB 4.21Å; I732-A850 HydrophobicContact CG2-CB 3.62Å
733W87Confident82.3Confident0 Ų014.5 Ų14.50%08%0.08CC..Hα-helixtrans-68.3-40.1179.8-16385.3000112.6W642 D729 Q736 L737 A850 E853 L921 P923 L935 S939W642-W733 HydrophobicContact CE3-CZ3 4.37Å; W642-W733 HydrophobicContact CH2-CE3 4.02Å; W642-W733 HydrophobicContact CH2-CZ3 4.15Å; W642-W733 HydrophobicContact CZ3-CD2 4.43Å; W642-W733 AromaticContact CZ3-CE3 3.44Å; W642-W733 HydrophobicContact CZ3-CE3 3.44Å; W642-W733 VanDerWaalsContact CZ3-CE3 3.44Å; W642-W733 AromaticContact CZ3-CZ3 3.49Å; W642-W733 HydrophobicContact CZ3-CZ3 3.49Å; W642-W733 VanDerWaalsContact CZ3-CZ3 3.49Å; D729-W733 WeakPolarHBondContact O-CB 3.34Å; D729-W733 PolarHBondContact O-N 3.44Å; W733-Q736 PolarHBondContact O-N 3.37Å; W733-L737 HydrophobicContact CD2-CD1 4.07Å; W733-L737 HydrophobicContact CD2-CG 4.18Å; W733-L737 HydrophobicContact CE3-CD1 3.4Å; W733-L737 HydrophobicContact CE3-CG 3.9Å; W733-L737 HydrophobicContact CH2-CD1 3.63Å; W733-L737 HydrophobicContact CZ2-CD1 4.16Å; W733-L737 HydrophobicContact CZ3-CD1 3.19Å; W733-L737 HydrophobicContact CZ3-CG 4.17Å; W733-L737 WeakPolarHBondContact O-CG 3.44Å; W733-L737 PolarHBondContact O-N 2.9Å; W733-A850 HydrophobicContact CB-CB 4.1Å; W733-E853 PolarHBondContact NE1-OE1 3.31Å; W733-L921 HydrophobicContact CB-CD1 3.95Å; W733-L921 HydrophobicContact CG-CB 4.37Å; W733-L921 HydrophobicContact CG-CD1 3.88Å; W733-P923 HydrophobicContact CH2-CB 4.14Å; W733-P923 HydrophobicContact CH2-CG 4.12Å; W733-P923 HydrophobicContact CZ3-CB 4.22Å; W733-L935 HydrophobicContact CZ3-CB 4.32Å; W733-S939 VanDerWaalsContact CZ2-CB 3.42Å
734C87.2Confident82.6Confident0 Ų012.6 Ų12.60%07%0.07CC..Hα-helixtrans-65.2-38.3174-71.10000112.5W642 C645 Y662 T730 L731 L737 I738W642-C734 VanDerWaalsContact CE3-SG 3.56Å; C645-C734 HydrophobicContact CB-CB 3.93Å; Y662-C734 HydrophobicContact CD2-CB 4.17Å; Y662-C734 HydrophobicContact CE2-CB 3.7Å; T730-C734 VanDerWaalsContact O-CB 3.23Å; T730-C734 WeakPolarHBondContact O-CB 3.31Å; T730-C734 PolarHBondContact O-N 2.94Å; T730-C734 PolarHBondContact O-SG 2.78Å; L731-C734 PolarHBondContact O-N 3.1Å; C734-L737 PolarHBondContact O-N 2.83Å; C734-I738 WeakPolarHBondContact O-CG1 3.4Å; C734-I738 PolarHBondContact O-N 3Å
735L88.2Confident82.6Confident2 Ų215.8 Ų15.81%0.019%0.088CC..Hα-helixtrans-61.5-47171.9-80.1166.2000110.8L659 Y662 L663 L666 L731 I732 L737 I738 L739L659-L735 HydrophobicContact CD1-CD2 3.48Å; L659-L735 VanDerWaalsContact CD1-CD2 3.48Å; Y662-L735 HydrophobicContact CD2-CD2 4.26Å; Y662-L735 HydrophobicContact CD2-CG 4.27Å; Y662-L735 HydrophobicContact CG-CD2 4.49Å; L663-L735 HydrophobicContact CD2-CD2 4.34Å; L663-L735 HydrophobicContact CG-CD2 4.31Å; L666-L735 HydrophobicContact CB-CD1 4.33Å; L666-L735 HydrophobicContact CD2-CD1 3.53Å; L731-L735 WeakPolarHBondContact O-CB 3.47Å; L731-L735 VanDerWaalsContact O-CG 3.3Å; L731-L735 WeakPolarHBondContact O-CG 3.35Å; L731-L735 PolarHBondContact O-N 3.4Å; I732-L735 PolarHBondContact O-N 3.43Å; L735-L737 PolarHBondContact O-N 2.98Å; L735-I738 PolarHBondContact O-N 2.98Å; L735-I738 VanDerWaalsContact O-N 3.11Å; L735-L739 WeakPolarHBondContact O-CG 3.38Å; L735-L739 PolarHBondContact O-N 3.36Å; L735-L739 VanDerWaalsContact O-N 3.1Å
736Q87.7Confident82.5Confident2 Ų219.7 Ų19.71%0.00911%0.107CC..Hα-helixtrans-60.8-44.6177.7170.250.5-4.700111.9I732 W733 I738 L739 T740 E853 F854I732-Q736 WeakPolarHBondContact O-CB 3.49Å; I732-Q736 PolarHBondContact O-N 2.83Å; W733-Q736 PolarHBondContact O-N 3.37Å; Q736-I738 VanDerWaalsContact C-N 3.26Å; Q736-I738 PolarHBondContact O-N 3.42Å; Q736-L739 PolarHBondContact O-N 2.79Å; Q736-L739 VanDerWaalsContact O-N 3.1Å; Q736-T740 WeakPolarHBondContact O-CG2 3.48Å; Q736-T740 PolarHBondContact O-N 2.87Å; Q736-E853 PolarHBondContact NE2-O 3.41Å; Q736-F854 HydrophobicContact CG-CB 4.3Å
737L84.7Confident82.5Confident2 Ų218.3 Ų18.31%0.0110%0.101CC..Hα-helixtrans-66.8-21.1175-68.5-165.9000114.5W733 C734 L735 T740 L935 M938W733-L737 HydrophobicContact CD2-CD1 4.07Å; W733-L737 HydrophobicContact CD2-CG 4.18Å; W733-L737 HydrophobicContact CE3-CD1 3.4Å; W733-L737 HydrophobicContact CE3-CG 3.9Å; W733-L737 HydrophobicContact CH2-CD1 3.63Å; W733-L737 HydrophobicContact CZ2-CD1 4.16Å; W733-L737 HydrophobicContact CZ3-CD1 3.19Å; W733-L737 HydrophobicContact CZ3-CG 4.17Å; W733-L737 WeakPolarHBondContact O-CG 3.44Å; W733-L737 PolarHBondContact O-N 2.9Å; C734-L737 PolarHBondContact O-N 2.83Å; L735-L737 PolarHBondContact O-N 2.98Å; L737-T740 PolarHBondContact O-OG1 3.14Å; L737-L935 HydrophobicContact CD1-CD2 4.46Å; L737-M938 HydrophobicContact CD1-CB 3.85Å; L737-M938 HydrophobicContact CD2-CB 4.43Å; L737-M938 WeakPolarHBondContact CD2-O 3.4Å; L737-M938 WeakPolarHBondContact O-CE 3.42Å
738I85.6Confident82.2Confident1 Ų119.3 Ų19.31%0.00510%0.104CC..Hα-helixtrans-75.7-37.2170.8-74.1169000110.1V648 V658 L659 Y662 C734 L735 Q736 T740 L741 F744V648-I738 HydrophobicContact CG1-CG1 4.46Å; V648-I738 HydrophobicContact CG2-CD1 4.44Å; V658-I738 HydrophobicContact CG1-CD1 4.03Å; L659-I738 HydrophobicContact CD1-CG2 4.46Å; Y662-I738 HydrophobicContact CD2-CD1 3.85Å; Y662-I738 HydrophobicContact CE2-CD1 3.61Å; C734-I738 WeakPolarHBondContact O-CG1 3.4Å; C734-I738 PolarHBondContact O-N 3Å; L735-I738 PolarHBondContact O-N 2.98Å; L735-I738 VanDerWaalsContact O-N 3.11Å; Q736-I738 VanDerWaalsContact C-N 3.26Å; Q736-I738 PolarHBondContact O-N 3.42Å; I738-T740 VanDerWaalsContact C-N 3.27Å; I738-T740 PolarHBondContact O-N 3.02Å; I738-L741 HydrophobicContact CG2-CD1 4.49Å; I738-L741 WeakPolarHBondContact O-CB 3.24Å; I738-L741 WeakPolarHBondContact O-CG 3.26Å; I738-L741 PolarHBondContact O-N 3.45Å; I738-F744 HydrophobicContact CG2-CE2 3.89Å; I738-F744 HydrophobicContact CG2-CZ 4.4Å; I738-F744 VanDerWaalsContact O-CD2 3.23Å; I738-F744 WeakPolarHBondContact O-CD2 3.4Å; I738-F744 WeakPolarHBondContact O-CE2 3.3Å
739L84.8Confident81.7Confident1 Ų124.7 Ų24.71%0.00513%0.127CC..Hα-helixtrans-71.6-14.8179.6-64.9170.2000114.2L735 Q736 W748 F798 A801 V802 L805L735-L739 WeakPolarHBondContact O-CG 3.38Å; L735-L739 PolarHBondContact O-N 3.36Å; L735-L739 VanDerWaalsContact O-N 3.1Å; Q736-L739 PolarHBondContact O-N 2.79Å; Q736-L739 VanDerWaalsContact O-N 3.1Å; L739-W748 HydrophobicContact CB-CZ2 4.35Å; L739-W748 PolarHBondContact O-NE1 2.86Å; L739-F798 HydrophobicContact CD2-CD2 3.54Å; L739-F798 HydrophobicContact CD2-CE2 3.89Å; L739-A801 HydrophobicContact CD1-CB 4.31Å; L739-A801 HydrophobicContact CD2-CB 4.3Å; L739-V802 HydrophobicContact CD1-CG2 4.11Å; L739-V802 HydrophobicContact CD2-CG2 4.26Å; L739-L805 HydrophobicContact CD1-CD1 3.57Å
740T79.2Confident81.1Confident2 Ų229.3 Ų29.31%0.01214%0.144CC..THydrogen-bonded Turntrans-83.1-7.9172.362.70000114.3Q736 L737 I738 K857 M938 Q945Q736-T740 WeakPolarHBondContact O-CG2 3.48Å; Q736-T740 PolarHBondContact O-N 2.87Å; L737-T740 PolarHBondContact O-OG1 3.14Å; I738-T740 VanDerWaalsContact C-N 3.27Å; I738-T740 PolarHBondContact O-N 3.02Å; T740-K857 HydrophobicContact CG2-CD 3.96Å; T740-M938 WeakPolarHBondContact OG1-CE 3.23Å; T740-Q945 PolarHBondContact O-NE2 3.3Å
741L78.8Confident80.6Confident13 Ų1330.7 Ų30.77%0.06815%0.151CC..SBendtrans-68135.4-179.2-71.1167.8000110.8V648 T649 I738 I743 F744 M938V648-L741 HydrophobicContact CG1-CD1 3.64Å; T649-L741 HydrophobicContact CG2-CD2 4.4Å; I738-L741 HydrophobicContact CG2-CD1 4.49Å; I738-L741 WeakPolarHBondContact O-CB 3.24Å; I738-L741 WeakPolarHBondContact O-CG 3.26Å; I738-L741 PolarHBondContact O-N 3.45Å; L741-I743 HydrophobicContact CB-CD1 4.5Å; L741-I743 PolarHBondContact O-N 3.36Å; L741-F744 HydrophobicContact CB-CD2 4.36Å; L741-F744 PolarHBondContact O-N 2.97Å; L741-M938 HydrophobicContact CD2-CE 3.49Å; L741-M938 VanDerWaalsContact CD2-CE 3.49Å; L741-M938 HydrophobicContact CD2-SD 3.94Å; L741-M938 HydrophobicContact CG-CE 3.88Å
742P74.2Confident79.6Confident74 Ų7433.5 Ų33.548%0.48116%0.164SC..G310 helixtrans-54.4-16.9-176.6-31.136.1000116.6F744 N745P742-F744 PolarHBondContact O-N 3.24Å; P742-N745 WeakPolarHBondContact CA-OD1 3.31Å; P742-N745 WeakPolarHBondContact O-CB 3.42Å; P742-N745 PolarHBondContact O-N 3.48Å
743I74.9Confident78.1Confident33 Ų3336.4 Ų36.417%0.16919%0.185CC..G310 helixtrans-55.9-34.3171.8-51.9165.7000111R652 L741 V793R652-I743 HydrophobicContact CB-CD1 4.13Å; R652-I743 HydrophobicContact CG-CD1 3.85Å; L741-I743 HydrophobicContact CB-CD1 4.5Å; L741-I743 PolarHBondContact O-N 3.36Å; I743-V793 HydrophobicContact CG2-CG2 4.22Å
744F79Confident76.4Confident1 Ų142.8 Ų42.80%0.00421%0.214CC..G310 helixtrans-89.1-2.2-178.1-63.7-68.7000114L659 I738 L741 P742 L746 S747 W748 V793 F798L659-F744 HydrophobicContact CD2-CZ 4.13Å; I738-F744 HydrophobicContact CG2-CE2 3.89Å; I738-F744 HydrophobicContact CG2-CZ 4.4Å; I738-F744 VanDerWaalsContact O-CD2 3.23Å; I738-F744 WeakPolarHBondContact O-CD2 3.4Å; I738-F744 WeakPolarHBondContact O-CE2 3.3Å; L741-F744 HydrophobicContact CB-CD2 4.36Å; L741-F744 PolarHBondContact O-N 2.97Å; P742-F744 PolarHBondContact O-N 3.24Å; F744-L746 VanDerWaalsContact C-N 3.27Å; F744-L746 PolarHBondContact O-N 3.24Å; F744-S747 CarbonylContact O-C 3.58Å; F744-S747 WeakPolarHBondContact O-CA 3.24Å; F744-S747 WeakPolarHBondContact O-CB 3.26Å; F744-S747 PolarHBondContact O-N 2.9Å; F744-W748 PolarHBondContact O-N 3.3Å; F744-V793 HydrophobicContact CE1-CB 3.9Å; F744-V793 HydrophobicContact CE1-CG1 3.91Å; F744-V793 HydrophobicContact CE1-CG2 4.36Å; F744-V793 HydrophobicContact CZ-CB 4.25Å; F744-V793 HydrophobicContact CZ-CG1 4.15Å; F744-V793 HydrophobicContact CZ-CG2 4.26Å; F744-F798 HydrophobicContact CB-CD2 4.11Å; F744-F798 HydrophobicContact CB-CE2 3.98Å; F744-F798 HydrophobicContact CD1-CB 4.13Å; F744-F798 AromaticContact CD1-CD2 3.4Å; F744-F798 HydrophobicContact CD1-CD2 3.4Å; F744-F798 VanDerWaalsContact CD1-CD2 3.4Å; F744-F798 HydrophobicContact CD1-CE2 4.15Å; F744-F798 HydrophobicContact CD1-CG 4.07Å; F744-F798 HydrophobicContact CE1-CB 4.09Å; F744-F798 HydrophobicContact CE1-CD2 4.03Å; F744-F798 HydrophobicContact CE1-CG 4.49Å; F744-F798 AromaticContact CG-CD2 3.91Å; F744-F798 HydrophobicContact CG-CD2 3.91Å; F744-F798 HydrophobicContact CG-CE2 4.26Å
745N74.9Confident74.5Confident80 Ų8048.8 Ų48.843%0.42824%0.242SC..Hα-helixtrans-56.9-38.8-179.3-71.613.1000112.6P742 S747 W748 K749P742-N745 WeakPolarHBondContact CA-OD1 3.31Å; P742-N745 WeakPolarHBondContact O-CB 3.42Å; P742-N745 PolarHBondContact O-N 3.48Å; N745-S747 VanDerWaalsContact C-N 3.31Å; N745-S747 PolarHBondContact O-N 3.28Å; N745-W748 PolarHBondContact O-N 2.63Å; N745-K749 WeakPolarHBondContact O-CB 3.2Å; N745-K749 WeakPolarHBondContact O-CG 3.4Å; N745-K749 PolarHBondContact O-N 3.4Å
746L73.4Confident72.3Confident132 Ų13254.2 Ų54.269%0.69128%0.276SS*.Hα-helixtrans-70.7-25.3173.7-69.4173.3000113.2F744 R750F744-L746 VanDerWaalsContact C-N 3.27Å; F744-L746 PolarHBondContact O-N 3.24Å; L746-R750 VanDerWaalsContact O-CB 3.3Å; L746-R750 WeakPolarHBondContact O-CB 3.31Å; L746-R750 PolarHBondContact O-N 2.81Å; L746-R750 VanDerWaalsContact O-N 3.12Å
747S79.7Confident69.7Low7 Ų756.7 Ų56.75%0.04929%0.293CS..Hα-helixtrans-78.6-37174.8-58.70000111.5F744 N745 L751F744-S747 CarbonylContact O-C 3.58Å; F744-S747 WeakPolarHBondContact O-CA 3.24Å; F744-S747 WeakPolarHBondContact O-CB 3.26Å; F744-S747 PolarHBondContact O-N 2.9Å; N745-S747 VanDerWaalsContact C-N 3.31Å; N745-S747 PolarHBondContact O-N 3.28Å; S747-L751 WeakPolarHBondContact O-CB 3.26Å; S747-L751 PolarHBondContact O-N 2.96Å
748W77.4Confident67.5Low37 Ų3764.9 Ų64.914%0.1434%0.337CS..Hα-helixtrans-64.4-52.2168.8-74115.4000111.6L739 F744 N745 R750 L751 H752 F798 V802 F854 P859L739-W748 HydrophobicContact CB-CZ2 4.35Å; L739-W748 PolarHBondContact O-NE1 2.86Å; F744-W748 PolarHBondContact O-N 3.3Å; N745-W748 PolarHBondContact O-N 2.63Å; W748-R750 PolarHBondContact O-N 3.44Å; W748-L751 HydrophobicContact CE3-CD2 3.88Å; W748-L751 HydrophobicContact CZ3-CD2 3.72Å; W748-L751 WeakPolarHBondContact O-CB 3.41Å; W748-L751 PolarHBondContact O-N 3.15Å; W748-H752 AromaticContact CE3-NE2 3.68Å; W748-H752 PolarHBondContact O-CD2 3.04Å; W748-H752 PolarHBondContact O-N 3.31Å; W748-F798 HydrophobicContact CD2-CE2 4.15Å; W748-F798 AromaticContact CD2-CZ 3.72Å; W748-F798 HydrophobicContact CD2-CZ 3.72Å; W748-F798 AromaticContact CE2-CE2 3.82Å; W748-F798 AromaticContact CE2-CZ 3.85Å; W748-F798 HydrophobicContact CE3-CZ 4.06Å; W748-F798 HydrophobicContact CG-CE2 4.37Å; W748-F798 HydrophobicContact CG-CZ 4.03Å; W748-F798 HydrophobicContact CZ2-CE2 4.21Å; W748-F798 HydrophobicContact CZ2-CZ 4.29Å; W748-F798 HydrophobicContact CZ3-CZ 4.46Å; W748-F798 AromaticContact NE1-CE2 3.83Å; W748-V802 HydrophobicContact CH2-CG1 4.34Å; W748-V802 HydrophobicContact CH2-CG2 3.99Å; W748-V802 HydrophobicContact CZ2-CG2 4.28Å; W748-V802 HydrophobicContact CZ3-CG1 4.47Å; W748-F854 HydrophobicContact CH2-CE2 4.13Å; W748-P859 HydrophobicContact CH2-CB 3.89Å; W748-P859 HydrophobicContact CZ3-CB 3.85Å
749K73.7Confident65Low113 Ų11368.7 Ų68.749%0.49136%0.364SS..Hα-helixtrans-54.1-39.6175.2-74.9-170.4175.7-173.40111.6N745 S753 D1115N745-K749 WeakPolarHBondContact O-CB 3.2Å; N745-K749 WeakPolarHBondContact O-CG 3.4Å; N745-K749 PolarHBondContact O-N 3.4Å; K749-S753 WeakPolarHBondContact O-CB 3.33Å; K749-S753 PolarHBondContact O-N 2.89Å; K749-S753 VanDerWaalsContact O-N 3.08Å; K749-S753 PolarHBondContact O-OG 3.15Å; K749-D1115 IonicContact NZ-OD1 3.96Å; K749-D1115 IonicContact NZ-OD2 2.66Å; K749-D1115 PolarHBondContact NZ-OD2 3.28Å
750R74.2Confident62.6Low110 Ų11072.9 Ų72.942%0.41541%0.407SS..Hα-helixtrans-66.9-38.4173.4177.8173.8-70.4165.1-1.5114.1L746 W748 S753 H754 Y795L746-R750 VanDerWaalsContact O-CB 3.3Å; L746-R750 WeakPolarHBondContact O-CB 3.31Å; L746-R750 PolarHBondContact O-N 2.81Å; L746-R750 VanDerWaalsContact O-N 3.12Å; W748-R750 PolarHBondContact O-N 3.44Å; R750-S753 WeakPolarHBondContact CA-OG 3.48Å; R750-S753 PolarHBondContact O-OG 2.95Å; R750-H754 PolarHBondContact O-CD2 3.01Å; R750-Y795 HydrophobicContact CB-CE2 4.22Å; R750-Y795 HydrophobicContact CG-CE2 4Å
751L72Confident60.6Low33 Ų3377.1 Ų77.117%0.17344%0.437CS..Hα-helixtrans-63.3-51.5179.1-172.270.2000110.2S747 W748 S753 H754 V802S747-L751 WeakPolarHBondContact O-CB 3.26Å; S747-L751 PolarHBondContact O-N 2.96Å; W748-L751 HydrophobicContact CE3-CD2 3.88Å; W748-L751 HydrophobicContact CZ3-CD2 3.72Å; W748-L751 WeakPolarHBondContact O-CB 3.41Å; W748-L751 PolarHBondContact O-N 3.15Å; L751-S753 PolarHBondContact O-N 2.84Å; L751-H754 PolarHBondContact O-N 3.1Å; L751-V802 HydrophobicContact CD2-CG1 4.01Å
752H67.5Low58.6Low59 Ų5983.3 Ų83.327%0.27347%0.465SS..Hα-helixtrans-68.1-34.7-179.6-54.8-59.4000112.9W748 H754 E755 G861W748-H752 AromaticContact CE3-NE2 3.68Å; W748-H752 PolarHBondContact O-CD2 3.04Å; W748-H752 PolarHBondContact O-N 3.31Å; H752-H754 PolarHBondContact O-N 2.91Å; H752-H754 VanDerWaalsContact O-N 3.09Å; H752-E755 PolarHBondContact O-N 3.43Å; H752-G861 WeakPolarHBondContact ND1-CA 3.35Å; H752-G861 PolarHBondContact ND1-N 2.88Å
753S56.9Low56.8Low63 Ų6384.9 Ų84.944%0.44147%0.469SS..THydrogen-bonded Turntrans-64.1-14.5178.562.80000114.6K749 R750 L751K749-S753 WeakPolarHBondContact O-CB 3.33Å; K749-S753 PolarHBondContact O-N 2.89Å; K749-S753 VanDerWaalsContact O-N 3.08Å; K749-S753 PolarHBondContact O-OG 3.15Å; R750-S753 WeakPolarHBondContact CA-OG 3.48Å; R750-S753 PolarHBondContact O-OG 2.95Å; L751-S753 PolarHBondContact O-N 2.84Å
754H51Low55.1Low133 Ų13387.1 Ų87.162%0.61649%0.487SS*.THydrogen-bonded Turntrans-82.3-12.1177.4-90.9-63.4000114.2R750 L751 H752R750-H754 PolarHBondContact O-CD2 3.01Å; L751-H754 PolarHBondContact O-N 3.1Å; H752-H754 PolarHBondContact O-N 2.91Å; H752-H754 VanDerWaalsContact O-N 3.09Å
755E46.2Very low53.2Low127 Ų12793.8 Ų93.859%0.59352%0.519SS*.THydrogen-bonded Turntrans-100.4-19.3-178.1-59.1-162165.600113.6H752H752-E755 PolarHBondContact O-N 3.43Å
756T41.9Very low51.5Low116 Ų11695.7 Ų95.771%0.71253%0.528SS*.SBendtrans-95.4-11.5-175.651.20000115N758T756-N758 PolarHBondContact O-N 3.32Å
757S34.7Very low49.8Very low54 Ų5493.2 Ų93.238%0.37852%0.521SS..  trans-8883.2-171.866.70000113.9
758N36.8Very low47.9Very low173 Ų17395.8 Ų95.893%0.92554%0.539SS*.  trans-114.57.6168.3-120.7-6.8000113.5T756T756-N758 PolarHBondContact O-N 3.32Å
759S34.5Very low45.9Very low82 Ų8298.8 Ų98.857%0.57356%0.558SS**  trans-110.5108.617541.60000110.8S761S759-S761 PolarHBondContact O-N 3.18Å; S759-S761 VanDerWaalsContact O-N 3.08Å
760G33.6Very low44.2Very low88 Ų8898.7 Ų98.791%0.90756%0.562SS**THydrogen-bonded Turntrans-84.239.9-164.300000117.7
761S38Very low42.4Very low92 Ų9297.3 Ų97.364%0.64357%0.569SS**THydrogen-bonded Turntrans-121.5-26.5-172.851.80000117.2S759S759-S761 PolarHBondContact O-N 3.18Å; S759-S761 VanDerWaalsContact O-N 3.08Å
762E35.9Very low40.6Very low142 Ų14298.7 Ų98.766%0.66458%0.582SS**SBendtrans-107.3-13.6-168.5-64.2179.6163.400114.7S764 Q765E762-S764 PolarHBondContact O-N 3.04Å; E762-S764 VanDerWaalsContact O-N 3.11Å; E762-Q765 PolarHBondContact O-N 3.4Å
763L36Very low38.9Very low108 Ų108103.3 Ų103.357%0.56560%0.604SS**Hα-helixtrans-63.4-18.8-176-87.7162.6000114.9S767L763-S767 PolarHBondContact O-N 2.98Å; L763-S767 PolarHBondContact O-OG 2.66Å
764S39.4Very low37.7Very low79 Ų79105.8 Ų105.855%0.55262%0.616SS**Hα-helixtrans-67.5-45.5-17951.40000112.4E762 S767 S768E762-S764 PolarHBondContact O-N 3.04Å; E762-S764 VanDerWaalsContact O-N 3.11Å; S764-S767 PolarHBondContact O-N 3.22Å; S764-S767 PolarHBondContact O-OG 3.33Å; S764-S768 PolarHBondContact O-N 3.38Å; S764-S768 PolarHBondContact O-OG 3.26Å
765Q39.8Very low36.6Very low142 Ų142103.5 Ų103.566%0.66462%0.62SS**Hα-helixtrans-69.9-42.8-175.7-69178.9-2600112.6E762 S767 S768 D769E762-Q765 PolarHBondContact O-N 3.4Å; Q765-S767 PolarHBondContact O-N 3.27Å; Q765-S768 PolarHBondContact O-N 3.14Å; Q765-S768 PolarHBondContact O-OG 2.97Å; Q765-D769 PolarHBondContact O-N 3.09Å
766I39.2Very low35.8Very low120 Ų120101.6 Ų101.662%0.61562%0.621SS**Hα-helixtrans-63.7-28.9177.9-58.4174.3000111.1
767S38Very low35.1Very low80 Ų80104.8 Ų104.856%0.55963%0.628SS**Hα-helixtrans-78.1-28.4178.476.20000114.1L763 S764 Q765L763-S767 PolarHBondContact O-N 2.98Å; L763-S767 PolarHBondContact O-OG 2.66Å; S764-S767 PolarHBondContact O-N 3.22Å; S764-S767 PolarHBondContact O-OG 3.33Å; Q765-S767 PolarHBondContact O-N 3.27Å
768S40.2Very low34.7Very low61 Ų61112 Ų11243%0.42765%0.653SS.*Hα-helixtrans-76.2-44.117940.30000113.2S764 Q765 L770 S771S764-S768 PolarHBondContact O-N 3.38Å; S764-S768 PolarHBondContact O-OG 3.26Å; Q765-S768 PolarHBondContact O-N 3.14Å; Q765-S768 PolarHBondContact O-OG 2.97Å; S768-L770 PolarHBondContact O-N 3.29Å; S768-S771 PolarHBondContact O-N 3.23Å; S768-S771 PolarHBondContact O-OG 3.11Å
769D34.9Very low34.3Very low100 Ų100110 Ų11054%0.53565%0.647SS.*Hα-helixtrans-73-28.1-175.8-70.5-31.4000113.4Q765 S771 S772Q765-D769 PolarHBondContact O-N 3.09Å; D769-S771 PolarHBondContact O-N 3.1Å; D769-S772 PolarHBondContact O-OG 3.45Å; D769-S772 VanDerWaalsContact O-OG 3.13Å
770L38.5Very low33.9Very low110 Ų110115.2 Ų115.258%0.57666%0.662SS**Hα-helixtrans-71.7-18.6-179.6-147.273.6000113.3S768 T774S768-L770 PolarHBondContact O-N 3.29Å; L770-T774 PolarHBondContact O-OG1 2.82Å; L770-T774 VanDerWaalsContact O-OG1 3.11Å
771S34.5Very low33.6Very low81 Ų81116.5 Ų116.557%0.56666%0.657SS**Hα-helixtrans-97.7-19.2-179.761.70000114S768 D769S768-S771 PolarHBondContact O-N 3.23Å; S768-S771 PolarHBondContact O-OG 3.11Å; D769-S771 PolarHBondContact O-N 3.1Å
772S35.2Very low33.1Very low62 Ų62118.5 Ų118.543%0.43467%0.666SS.*Hα-helixtrans-86.8-36.5-17962.20000113.5D769 S776D769-S772 PolarHBondContact O-OG 3.45Å; D769-S772 VanDerWaalsContact O-OG 3.13Å; S772-S776 PolarHBondContact O-OG 2.55Å; S772-S776 VanDerWaalsContact O-OG 3.12Å
773Q31.4Very low32.7Very low157 Ų157119.7 Ų119.773%0.73468%0.676SS**THydrogen-bonded Turntrans-79.1-15.4-178.4-62.9-1713.800114.2A775Q773-A775 PolarHBondContact O-N 2.91Å
774T32.4Very low32.3Very low115 Ų115120.8 Ų120.871%0.70668%0.682SS**THydrogen-bonded Turntrans-89.84.3-172.643.50000114.9L770L770-T774 PolarHBondContact O-OG1 2.82Å; L770-T774 VanDerWaalsContact O-OG1 3.11Å
775A28.6Very low31.8Very low84 Ų84124.6 Ų124.669%0.69470%0.697SS**SBendtrans-131.6-4.7-172.600000116.2Q773Q773-A775 PolarHBondContact O-N 2.91Å
776S27.6Very low31.7Very low87 Ų87121.2 Ų121.261%0.60869%0.689SS**SBendtrans-125.9-7.5-157.851.50000117.2S772S772-S776 PolarHBondContact O-OG 2.55Å; S772-S776 VanDerWaalsContact O-OG 3.12Å
777Q27.8Very low31.8Very low184 Ų184119.8 Ų119.886%0.8668%0.681SS**  trans-114.478.1172.9-70-169.4-4.300111.2
778F27.4Very low31.6Very low205 Ų205126.6 Ų126.690%0.89969%0.694SS**  trans-12337.7-178.4-127.4-78.1000112.4
779T27.6Very low31.6Very low131 Ų131124.9 Ų124.980%0.80468%0.682SS**SBendtrans-125153.1178.341.30000111.5S781T779-S781 PolarHBondContact O-N 3.48Å
780Q26Very low32.1Very low192 Ų192122.8 Ų122.890%0.89769%0.685SS**  trans-71.2123.5-173.5-63.9150.6-31.900111.4
781S27.1Very low32.6Very low114 Ų114126.9 Ų126.980%0.79769%0.692SS**  trans-123.4109.2162.153.60000109.8T779 L783T779-S781 PolarHBondContact O-N 3.48Å; S781-L783 PolarHBondContact O-N 3.05Å
782T27.7Very low33.8Very low134 Ų134127 Ų12782%0.82269%0.693SS**  trans-89.280.1-171.451.10000111.5
783L27.6Very low35.2Very low167 Ų167124.6 Ų124.687%0.87468%0.676SS**  trans-153.538.5173-129.5125.5000115.3S781S781-L783 PolarHBondContact O-N 3.05Å
784D27.6Very low37.2Very low131 Ų131118.5 Ų118.570%0.70165%0.653SS**  trans-163.2124.7163-131.6-10.2000111.4S786D784-S786 PolarHBondContact O-N 3.44Å
785N29.8Very low39.4Very low160 Ų160115.9 Ų115.986%0.85663%0.63SS**  trans-80.342.5-172.8-82.3-13.8000113.9
786S37.3Very low42Very low71 Ų71118.2 Ų118.250%0.49763%0.626SS.*  trans-123.5105.2-177.4-170.40000111.5D784 R788D784-S786 PolarHBondContact O-N 3.44Å; S786-R788 PolarHBondContact O-N 2.88Å
787I40.4Very low44.6Very low89 Ų89114.6 Ų114.646%0.45660%0.6SS.*  trans-63.499.1175.3-48.7174.8000109.3C789I787-C789 VanDerWaalsContact CG2-SG 3.59Å; I787-C789 PolarHBondContact O-N 2.93Å
788R35Very low47.3Very low223 Ų223105.9 Ų105.984%0.84256%0.559SS**  trans-73.966.2178.9-70.4-172.3177.7-168.20.7111.9S786 G790S786-R788 PolarHBondContact O-N 2.88Å; R788-G790 PolarHBondContact O-N 2.67Å; R788-G790 VanDerWaalsContact O-N 3.09Å
789C39.2Very low50Low25 Ų2597.4 Ų97.417%0.16953%0.526CS..  trans-67.9102171.8-64.80000111.3V541 I787V541-C789 PolarHBondContact O-SG 3.46Å; I787-C789 VanDerWaalsContact CG2-SG 3.59Å; I787-C789 PolarHBondContact O-N 2.93Å
790G46.4Very low52.8Low57 Ų5797.3 Ų97.359%0.58851%0.514SS*.  trans179.396.8173.900000115.4R788R788-G790 PolarHBondContact O-N 2.67Å; R788-G790 VanDerWaalsContact O-N 3.09Å
791R48.8Very low55.7Low196 Ų19688.2 Ų88.274%0.7447%0.472SS*.PPolyproline II helixtrans-78.6144.1152.6-164175.5-169.1167.25.2107.6V543 V793V543-R791 HydrophobicContact CB-CB 4.39Å; V543-R791 HydrophobicContact CG1-CB 4.41Å; R791-V793 PolarHBondContact O-N 3.1Å
792S58Low58.5Low83 Ų8382.8 Ų82.858%0.5843%0.434SS*.PPolyproline II helixtrans-61.2133.4177.5-168.80000110.8
793V65.4Low61.2Low11 Ų1180.3 Ų80.37%0.06742%0.415CS..PPolyproline II helixtrans-63.6135.5178.4178.10000108.9C655 E656 L659 I743 F744 R791 Y795C655-V793 HydrophobicContact CB-CG2 4.15Å; E656-V793 HydrophobicContact CB-CG1 4.4Å; L659-V793 HydrophobicContact CD2-CG1 4.46Å; I743-V793 HydrophobicContact CG2-CG2 4.22Å; F744-V793 HydrophobicContact CE1-CB 3.9Å; F744-V793 HydrophobicContact CE1-CG1 3.91Å; F744-V793 HydrophobicContact CE1-CG2 4.36Å; F744-V793 HydrophobicContact CZ-CB 4.25Å; F744-V793 HydrophobicContact CZ-CG1 4.15Å; F744-V793 HydrophobicContact CZ-CG2 4.26Å; R791-V793 PolarHBondContact O-N 3.1Å; V793-Y795 PolarHBondContact O-N 3.04Å; V793-Y795 VanDerWaalsContact O-N 3.17Å
794A73.5Confident64Low30 Ų3073.1 Ų73.125%0.24838%0.378CS..PPolyproline II helixtrans-61.5120.9-172.500000112.3H796 L797A794-H796 WeakPolarHBondContact CB-CE1 3.39Å; A794-H796 PolarHBondContact O-N 3.06Å; A794-L797 WeakPolarHBondContact O-CB 3.28Å; A794-L797 PolarHBondContact O-N 3.26Å
795Y78.9Confident66.8Low60 Ų6067 Ų6724%0.23535%0.345CS..Hα-helixtrans-53.4-31.4-172.9-179.7-105.9000114.3R750 V793 L797 F798 S799R750-Y795 HydrophobicContact CB-CE2 4.22Å; R750-Y795 HydrophobicContact CG-CE2 4Å; V793-Y795 PolarHBondContact O-N 3.04Å; V793-Y795 VanDerWaalsContact O-N 3.17Å; Y795-L797 VanDerWaalsContact C-N 3.25Å; Y795-L797 PolarHBondContact O-N 3.47Å; Y795-F798 AromaticContact CD2-CD1 3.93Å; Y795-F798 HydrophobicContact CD2-CD1 3.93Å; Y795-F798 AromaticContact CE2-CD1 3.8Å; Y795-F798 HydrophobicContact CE2-CD1 3.8Å; Y795-F798 HydrophobicContact CE2-CE1 4.03Å; Y795-F798 PolarHBondContact O-N 3.49Å; Y795-S799 WeakPolarHBondContact O-CB 3.42Å; Y795-S799 PolarHBondContact O-N 3.03Å
796H82Confident69.4Low132 Ų13260.6 Ų60.661%0.61131%0.311SS*.Hα-helixtrans-62.2-30.6176.171.5-101.1000113A794 K800A794-H796 WeakPolarHBondContact CB-CE1 3.39Å; A794-H796 PolarHBondContact O-N 3.06Å; H796-K800 WeakPolarHBondContact O-CB 3.28Å; H796-K800 PolarHBondContact O-N 3.43Å
797L82.2Confident71.7Confident12 Ų1258.9 Ų58.96%0.06330%0.299CS..Hα-helixtrans-79.1-37.8179.3-166.968000111.1E656 L659 N660 L663 A794 Y795 A801E656-L797 HydrophobicContact CG-CD2 3.79Å; L659-L797 HydrophobicContact CB-CD2 4.16Å; L659-L797 HydrophobicContact CD2-CD2 3.85Å; L659-L797 HydrophobicContact CD2-CG 3.86Å; L659-L797 HydrophobicContact CG-CD2 3.93Å; L659-L797 HydrophobicContact CG-CG 3.99Å; N660-L797 HydrophobicContact CB-CD2 4.42Å; L663-L797 HydrophobicContact CD1-CD1 3.57Å; L663-L797 HydrophobicContact CD1-CG 4.11Å; A794-L797 WeakPolarHBondContact O-CB 3.28Å; A794-L797 PolarHBondContact O-N 3.26Å; Y795-L797 VanDerWaalsContact C-N 3.25Å; Y795-L797 PolarHBondContact O-N 3.47Å; L797-A801 PolarHBondContact O-N 3.38Å; L797-A801 VanDerWaalsContact O-N 3.11Å
798F85.3Confident73.8Confident0 Ų054.7 Ų54.70%028%0.277CS..Hα-helixtrans-60.2-56.3169.5166-94.5000111.1L739 F744 W748 Y795 K800 A801 V802L739-F798 HydrophobicContact CD2-CD2 3.54Å; L739-F798 HydrophobicContact CD2-CE2 3.89Å; F744-F798 HydrophobicContact CB-CD2 4.11Å; F744-F798 HydrophobicContact CB-CE2 3.98Å; F744-F798 HydrophobicContact CD1-CB 4.13Å; F744-F798 AromaticContact CD1-CD2 3.4Å; F744-F798 HydrophobicContact CD1-CD2 3.4Å; F744-F798 VanDerWaalsContact CD1-CD2 3.4Å; F744-F798 HydrophobicContact CD1-CE2 4.15Å; F744-F798 HydrophobicContact CD1-CG 4.07Å; F744-F798 HydrophobicContact CE1-CB 4.09Å; F744-F798 HydrophobicContact CE1-CD2 4.03Å; F744-F798 HydrophobicContact CE1-CG 4.49Å; F744-F798 AromaticContact CG-CD2 3.91Å; F744-F798 HydrophobicContact CG-CD2 3.91Å; F744-F798 HydrophobicContact CG-CE2 4.26Å; W748-F798 HydrophobicContact CD2-CE2 4.15Å; W748-F798 AromaticContact CD2-CZ 3.72Å; W748-F798 HydrophobicContact CD2-CZ 3.72Å; W748-F798 AromaticContact CE2-CE2 3.82Å; W748-F798 AromaticContact CE2-CZ 3.85Å; W748-F798 HydrophobicContact CE3-CZ 4.06Å; W748-F798 HydrophobicContact CG-CE2 4.37Å; W748-F798 HydrophobicContact CG-CZ 4.03Å; W748-F798 HydrophobicContact CZ2-CE2 4.21Å; W748-F798 HydrophobicContact CZ2-CZ 4.29Å; W748-F798 HydrophobicContact CZ3-CZ 4.46Å; W748-F798 AromaticContact NE1-CE2 3.83Å; Y795-F798 AromaticContact CD2-CD1 3.93Å; Y795-F798 HydrophobicContact CD2-CD1 3.93Å; Y795-F798 AromaticContact CE2-CD1 3.8Å; Y795-F798 HydrophobicContact CE2-CD1 3.8Å; Y795-F798 HydrophobicContact CE2-CE1 4.03Å; Y795-F798 PolarHBondContact O-N 3.49Å; F798-K800 VanDerWaalsContact C-N 3.29Å; F798-K800 PolarHBondContact O-N 3.06Å; F798-A801 WeakPolarHBondContact O-CA 3.41Å; F798-A801 WeakPolarHBondContact O-CB 3.37Å; F798-A801 PolarHBondContact O-N 3.2Å; F798-V802 HydrophobicContact CD1-CG2 4.44Å; F798-V802 HydrophobicContact CD2-CG2 4.21Å; F798-V802 HydrophobicContact CE1-CG2 4.08Å; F798-V802 HydrophobicContact CE2-CG2 3.83Å; F798-V802 HydrophobicContact CZ-CG2 3.76Å; F798-V802 PolarHBondContact O-N 3.29Å
799S84.4Confident76.2Confident28 Ų2844 Ų4420%0.19624%0.237CC..Hα-helixtrans-59-40.2-179.7172.20000111.8Y795 A801 V802 N803Y795-S799 WeakPolarHBondContact O-CB 3.42Å; Y795-S799 PolarHBondContact O-N 3.03Å; S799-A801 VanDerWaalsContact C-N 3.31Å; S799-A801 PolarHBondContact O-N 3.36Å; S799-V802 PolarHBondContact O-N 2.89Å; S799-N803 VanDerWaalsContact O-CB 3.29Å; S799-N803 WeakPolarHBondContact O-CB 3.33Å; S799-N803 PolarHBondContact O-N 3.03Å; S799-N803 PolarHBondContact O-OD1 3.23Å
800K86.1Confident78.3Confident129 Ų12945.9 Ų45.956%0.56125%0.245SC*.Hα-helixtrans-62.7-33.7173.9-176.8173.7-179.5178.10113.3H796 F798 L804H796-K800 WeakPolarHBondContact O-CB 3.28Å; H796-K800 PolarHBondContact O-N 3.43Å; F798-K800 VanDerWaalsContact C-N 3.29Å; F798-K800 PolarHBondContact O-N 3.06Å; K800-L804 VanDerWaalsContact O-CB 3.29Å; K800-L804 WeakPolarHBondContact O-CB 3.42Å; K800-L804 PolarHBondContact O-N 3.49Å
801A86.5Confident80Confident1 Ų143.5 Ų43.51%0.00822%0.22CC..Hα-helixtrans-73.4-47.9175.500000111.9L659 L663 L739 L797 F798 S799 L804 L805L659-A801 HydrophobicContact CD1-CB 4.15Å; L663-A801 HydrophobicContact CD1-CB 4.31Å; L663-A801 HydrophobicContact CD2-CB 3.89Å; L739-A801 HydrophobicContact CD1-CB 4.31Å; L739-A801 HydrophobicContact CD2-CB 4.3Å; L797-A801 PolarHBondContact O-N 3.38Å; L797-A801 VanDerWaalsContact O-N 3.11Å; F798-A801 WeakPolarHBondContact O-CA 3.41Å; F798-A801 WeakPolarHBondContact O-CB 3.37Å; F798-A801 PolarHBondContact O-N 3.2Å; S799-A801 VanDerWaalsContact C-N 3.31Å; S799-A801 PolarHBondContact O-N 3.36Å; A801-L804 PolarHBondContact O-N 3.43Å; A801-L805 WeakPolarHBondContact O-CG 3.15Å; A801-L805 PolarHBondContact O-N 3.49Å
802V85.9Confident81.7Confident0 Ų034.2 Ų34.20%018%0.184CC..Hα-helixtrans-58.3-51.9177.4172.50000110.8L739 W748 L751 F798 S799 L804 L805 I806 F854L739-V802 HydrophobicContact CD1-CG2 4.11Å; L739-V802 HydrophobicContact CD2-CG2 4.26Å; W748-V802 HydrophobicContact CH2-CG1 4.34Å; W748-V802 HydrophobicContact CH2-CG2 3.99Å; W748-V802 HydrophobicContact CZ2-CG2 4.28Å; W748-V802 HydrophobicContact CZ3-CG1 4.47Å; L751-V802 HydrophobicContact CD2-CG1 4.01Å; F798-V802 HydrophobicContact CD1-CG2 4.44Å; F798-V802 HydrophobicContact CD2-CG2 4.21Å; F798-V802 HydrophobicContact CE1-CG2 4.08Å; F798-V802 HydrophobicContact CE2-CG2 3.83Å; F798-V802 HydrophobicContact CZ-CG2 3.76Å; F798-V802 PolarHBondContact O-N 3.29Å; S799-V802 PolarHBondContact O-N 2.89Å; V802-L804 VanDerWaalsContact C-N 3.27Å; V802-L804 PolarHBondContact O-N 3.17Å; V802-L805 PolarHBondContact O-N 3.43Å; V802-L805 VanDerWaalsContact O-N 3.11Å; V802-I806 HydrophobicContact CG1-CD1 3.75Å; V802-I806 HydrophobicContact CG1-CG1 4.38Å; V802-I806 WeakPolarHBondContact O-CG1 3.43Å; V802-I806 PolarHBondContact O-N 3.13Å; V802-F854 HydrophobicContact CG1-CZ 4.25Å
803N85.6Confident82.7Confident81 Ų8131.2 Ų31.243%0.43316%0.161SC..Hα-helixtrans-62.7-32.6-179.4-65.72000112.6S799 S807S799-N803 VanDerWaalsContact O-CB 3.29Å; S799-N803 WeakPolarHBondContact O-CB 3.33Å; S799-N803 PolarHBondContact O-N 3.03Å; S799-N803 PolarHBondContact O-OD1 3.23Å; N803-S807 WeakPolarHBondContact O-CB 3.12Å; N803-S807 PolarHBondContact O-N 3.03Å; N803-S807 PolarHBondContact O-OG 3.42Å
804L86.4Confident83.2Confident17 Ų1735.5 Ų35.59%0.08918%0.183CC..Hα-helixtrans-69.1-42.1175.3-174.565.6000111.5L663 L666 T667 L670 L678 K800 A801 V802 S807 I808L663-L804 HydrophobicContact CD2-CD2 3.94Å; L666-L804 HydrophobicContact CD2-CD2 3.97Å; L666-L804 HydrophobicContact CG-CD2 4.44Å; T667-L804 HydrophobicContact CG2-CD2 4.3Å; L670-L804 HydrophobicContact CD1-CD1 3.84Å; L678-L804 HydrophobicContact CD1-CD1 3.92Å; K800-L804 VanDerWaalsContact O-CB 3.29Å; K800-L804 WeakPolarHBondContact O-CB 3.42Å; K800-L804 PolarHBondContact O-N 3.49Å; A801-L804 PolarHBondContact O-N 3.43Å; V802-L804 VanDerWaalsContact C-N 3.27Å; V802-L804 PolarHBondContact O-N 3.17Å; L804-S807 PolarHBondContact O-N 2.72Å; L804-I808 HydrophobicContact CG-CD1 4.23Å; L804-I808 VanDerWaalsContact O-CG1 3.3Å; L804-I808 WeakPolarHBondContact O-CG1 3.44Å; L804-I808 PolarHBondContact O-N 2.74Å
805L86.6Confident83.4Confident3 Ų334.2 Ų34.22%0.01617%0.172CC..Hα-helixtrans-66.7-42.7176.2-68.8176000112I732 L739 A801 V802 S807 I808 S809 F854I732-L805 HydrophobicContact CG2-CD2 3.8Å; L739-L805 HydrophobicContact CD1-CD1 3.57Å; A801-L805 WeakPolarHBondContact O-CG 3.15Å; A801-L805 PolarHBondContact O-N 3.49Å; V802-L805 PolarHBondContact O-N 3.43Å; V802-L805 VanDerWaalsContact O-N 3.11Å; L805-S807 PolarHBondContact O-N 3.48Å; L805-I808 PolarHBondContact O-N 3.13Å; L805-S809 WeakPolarHBondContact O-CB 3.25Å; L805-S809 PolarHBondContact O-N 2.84Å; L805-F854 HydrophobicContact CB-CD1 3.95Å; L805-F854 HydrophobicContact CB-CD2 4.49Å; L805-F854 HydrophobicContact CB-CE1 3.62Å; L805-F854 HydrophobicContact CB-CE2 4.18Å; L805-F854 HydrophobicContact CB-CG 4.37Å; L805-F854 HydrophobicContact CB-CZ 3.74Å; L805-F854 HydrophobicContact CD1-CD2 4.1Å; L805-F854 HydrophobicContact CD1-CE2 4.06Å; L805-F854 HydrophobicContact CD1-CZ 4.45Å
806I84.4Confident83.1Confident25 Ų2533.7 Ų33.713%0.12818%0.177CC..Hα-helixtrans-57.1-50.1173.1-66.7171000109.8V802 I808 S809 D810 F854 L860V802-I806 HydrophobicContact CG1-CD1 3.75Å; V802-I806 HydrophobicContact CG1-CG1 4.38Å; V802-I806 WeakPolarHBondContact O-CG1 3.43Å; V802-I806 PolarHBondContact O-N 3.13Å; I806-I808 VanDerWaalsContact C-N 3.32Å; I806-I808 PolarHBondContact O-N 3.37Å; I806-S809 CarbonylContact O-C 3.55Å; I806-S809 WeakPolarHBondContact O-CA 2.98Å; I806-S809 WeakPolarHBondContact O-CB 3.39Å; I806-S809 PolarHBondContact O-N 3.23Å; I806-D810 WeakPolarHBondContact CG2-OD2 3.48Å; I806-D810 PolarHBondContact O-N 2.9Å; I806-F854 HydrophobicContact CB-CE1 4.46Å; I806-F854 HydrophobicContact CG1-CE1 3.63Å; I806-F854 HydrophobicContact CG1-CZ 3.76Å; I806-L860 HydrophobicContact CD1-CD2 4.07Å
807S84.2Confident82.8Confident35 Ų3530.8 Ų30.825%0.24516%0.163CC..Hα-helixtrans-63-35.1-178.9-560000113.5L678 N803 L804 L805 S811L678-S807 WeakPolarHBondContact CD2-OG 3.24Å; N803-S807 WeakPolarHBondContact O-CB 3.12Å; N803-S807 PolarHBondContact O-N 3.03Å; N803-S807 PolarHBondContact O-OG 3.42Å; L804-S807 PolarHBondContact O-N 2.72Å; L805-S807 PolarHBondContact O-N 3.48Å; S807-S811 PolarHBondContact O-N 3Å; S807-S811 VanDerWaalsContact O-N 3.13Å
808I85.8Confident82.3Confident0 Ų035.4 Ų35.40%018%0.184CC..Hα-helixtrans-67.1-45172.7-69.1164.9000109.6L666 L670 F674 F707 L804 L805 I806 D810 S811 L812L666-I808 HydrophobicContact CD2-CD1 4.07Å; L670-I808 HydrophobicContact CD2-CD1 4.19Å; L670-I808 HydrophobicContact CD2-CG1 4.24Å; F674-I808 HydrophobicContact CE1-CG1 4.16Å; F674-I808 HydrophobicContact CZ-CG1 4.33Å; F707-I808 HydrophobicContact CE2-CG2 4.23Å; F707-I808 HydrophobicContact CZ-CD1 4.44Å; L804-I808 HydrophobicContact CG-CD1 4.23Å; L804-I808 VanDerWaalsContact O-CG1 3.3Å; L804-I808 WeakPolarHBondContact O-CG1 3.44Å; L804-I808 PolarHBondContact O-N 2.74Å; L805-I808 PolarHBondContact O-N 3.13Å; I806-I808 VanDerWaalsContact C-N 3.32Å; I806-I808 PolarHBondContact O-N 3.37Å; I808-D810 PolarHBondContact O-N 3.33Å; I808-S811 PolarHBondContact O-N 2.93Å; I808-S811 PolarHBondContact O-OG 3.16Å; I808-L812 HydrophobicContact CG2-CD1 4.2Å; I808-L812 WeakPolarHBondContact O-CG 3.2Å; I808-L812 PolarHBondContact O-N 3.14Å; I808-L812 VanDerWaalsContact O-N 3.09Å
809S85.3Confident81.8Confident0 Ų038.4 Ų38.40%020%0.2CC..Hα-helixtrans-54.9-50.7174.7-157.90000111.7L805 I806 S811 L812 H813 E855L805-S809 WeakPolarHBondContact O-CB 3.25Å; L805-S809 PolarHBondContact O-N 2.84Å; I806-S809 CarbonylContact O-C 3.55Å; I806-S809 WeakPolarHBondContact O-CA 2.98Å; I806-S809 WeakPolarHBondContact O-CB 3.39Å; I806-S809 PolarHBondContact O-N 3.23Å; S809-S811 VanDerWaalsContact C-N 3.34Å; S809-S811 PolarHBondContact O-N 3.5Å; S809-L812 CarbonylContact O-C 3.52Å; S809-L812 WeakPolarHBondContact O-CA 3.42Å; S809-L812 WeakPolarHBondContact O-CB 3.18Å; S809-L812 PolarHBondContact O-N 2.95Å; S809-H813 PolarHBondContact O-CD2 3.12Å; S809-H813 PolarHBondContact O-N 2.97Å; S809-E855 VanDerWaalsContact CB-OE1 3.25Å; S809-E855 WeakPolarHBondContact CB-OE1 3.38Å; S809-E855 WeakPolarHBondContact OG-CG 3.38Å; S809-E855 PolarHBondContact OG-OE1 3.44Å
810D82Confident81.4Confident64 Ų6438.2 Ų38.234%0.34220%0.196SC..Hα-helixtrans-60.6-38177.6-76.7-54.7000113.3I806 I808 L812 H813 L814 R889I806-D810 WeakPolarHBondContact CG2-OD2 3.48Å; I806-D810 PolarHBondContact O-N 2.9Å; I808-D810 PolarHBondContact O-N 3.33Å; D810-L812 VanDerWaalsContact C-N 3.34Å; D810-L812 PolarHBondContact O-N 2.88Å; D810-H813 WeakPolarHBondContact O-CB 3.5Å; D810-H813 PolarHBondContact O-N 3.14Å; D810-L814 PolarHBondContact O-N 3.39Å; D810-R889 IonicContact OD1-CZ 3.7Å; D810-R889 IonicContact OD1-NE 3.88Å; D810-R889 IonicContact OD1-NH2 3.7Å; D810-R889 PolarHBondContact OD1-NH2 3.11Å; D810-R889 IonicContact OD2-NH2 2.69Å; D810-R889 PolarHBondContact OD2-NH2 3.29Å
811S82.7Confident80.7Confident7 Ų734.5 Ų34.55%0.04919%0.194CC..Hα-helixtrans-62.7-42.3173.474.40000111.6P706 S807 I808 S809 H813 L814 L815P706-S811 WeakPolarHBondContact CG-OG 3.49Å; S807-S811 PolarHBondContact O-N 3Å; S807-S811 VanDerWaalsContact O-N 3.13Å; I808-S811 PolarHBondContact O-N 2.93Å; I808-S811 PolarHBondContact O-OG 3.16Å; S809-S811 VanDerWaalsContact C-N 3.34Å; S809-S811 PolarHBondContact O-N 3.5Å; S811-H813 VanDerWaalsContact C-N 3.29Å; S811-H813 PolarHBondContact O-N 2.9Å; S811-L814 PolarHBondContact O-N 3.12Å; S811-L814 VanDerWaalsContact O-N 3.17Å; S811-L815 WeakPolarHBondContact O-CD1 3.41Å; S811-L815 WeakPolarHBondContact O-CG 3.39Å; S811-L815 PolarHBondContact O-N 2.82Å
812L84Confident80.2Confident0 Ų034.7 Ų34.70%020%0.195CC..Hα-helixtrans-66.6-30.2174.9-61.5169000111.8I808 S809 D810 L814 F820 I847 Y848 C851 L893 K896I808-L812 HydrophobicContact CG2-CD1 4.2Å; I808-L812 WeakPolarHBondContact O-CG 3.2Å; I808-L812 PolarHBondContact O-N 3.14Å; I808-L812 VanDerWaalsContact O-N 3.09Å; S809-L812 CarbonylContact O-C 3.52Å; S809-L812 WeakPolarHBondContact O-CA 3.42Å; S809-L812 WeakPolarHBondContact O-CB 3.18Å; S809-L812 PolarHBondContact O-N 2.95Å; D810-L812 VanDerWaalsContact C-N 3.34Å; D810-L812 PolarHBondContact O-N 2.88Å; L812-L814 VanDerWaalsContact C-N 3.31Å; L812-L814 PolarHBondContact O-N 3.2Å; L812-F820 HydrophobicContact CD2-CZ 3.99Å; L812-I847 HydrophobicContact CD1-CG2 3.87Å; L812-Y848 HydrophobicContact CB-CE1 3.97Å; L812-Y848 HydrophobicContact CD2-CE1 4.48Å; L812-Y848 HydrophobicContact CD2-CE2 4.08Å; L812-C851 HydrophobicContact CD1-CB 4.23Å; L812-L893 HydrophobicContact CB-CD1 3.99Å; L812-K896 WeakPolarHBondContact O-CD 3.4Å; L812-K896 WeakPolarHBondContact O-CE 3.39Å; L812-K896 PolarHBondContact O-NZ 3.16Å
813H78.9Confident79.3Confident21 Ų2137.4 Ų37.410%0.09721%0.212CC..Hα-helixtrans-63.9-31.8171.8-80.3-63.2000113.8S809 D810 S811 R889 Q892 K896S809-H813 PolarHBondContact O-CD2 3.12Å; S809-H813 PolarHBondContact O-N 2.97Å; D810-H813 WeakPolarHBondContact O-CB 3.5Å; D810-H813 PolarHBondContact O-N 3.14Å; S811-H813 VanDerWaalsContact C-N 3.29Å; S811-H813 PolarHBondContact O-N 2.9Å; H813-R889 PolarHBondContact CE1-O 2.79Å; H813-Q892 PolarHBondContact ND1-OE1 3.37Å; H813-K896 VanDerWaalsContact O-CE 3.28Å; H813-K896 WeakPolarHBondContact O-CE 3.45Å; H813-K896 PolarHBondContact O-NZ 3.5Å
814L77.4Confident78.3Confident101 Ų10138 Ų3853%0.52922%0.218SC..Hα-helixtrans-89.8-50.8-179.3-64.1172.3000112.6I702 D810 S811 L812 K896I702-L814 HydrophobicContact CB-CD1 3.97Å; I702-L814 HydrophobicContact CD1-CD1 4.36Å; I702-L814 HydrophobicContact CG2-CD1 3.65Å; D810-L814 PolarHBondContact O-N 3.39Å; S811-L814 PolarHBondContact O-N 3.12Å; S811-L814 VanDerWaalsContact O-N 3.17Å; L812-L814 VanDerWaalsContact C-N 3.31Å; L812-L814 PolarHBondContact O-N 3.2Å; L814-K896 PolarHBondContact O-NZ 2.74Å; L814-K896 VanDerWaalsContact O-NZ 3.12Å
815L77.3Confident77.3Confident3 Ų345.2 Ų45.22%0.01625%0.252CS..  trans-61139.4-166.4-63.9157000115.3P705 P706 S811 D819 F820 K896P705-L815 HydrophobicContact CB-CD1 4.12Å; P705-L815 HydrophobicContact CB-CD2 4.25Å; P706-L815 VanDerWaalsContact CD-CD1 3.41Å; S811-L815 WeakPolarHBondContact O-CD1 3.41Å; S811-L815 WeakPolarHBondContact O-CG 3.39Å; S811-L815 PolarHBondContact O-N 2.82Å; L815-D819 WeakPolarHBondContact CA-OD2 3.45Å; L815-D819 HydrophobicContact CB-CB 4.33Å; L815-D819 WeakPolarHBondContact CB-OD2 3.15Å; L815-D819 HydrophobicContact CD2-CB 3.96Å; L815-D819 VanDerWaalsContact CD2-OD2 3.27Å; L815-D819 WeakPolarHBondContact CD2-OD2 3.35Å; L815-F820 HydrophobicContact CB-CE2 3.85Å; L815-F820 HydrophobicContact CB-CZ 4.22Å; L815-F820 HydrophobicContact CD1-CE2 4.23Å; L815-F820 HydrophobicContact CD1-CZ 3.73Å; L815-K896 PolarHBondContact O-NZ 2.81Å
816S72.8Confident76.6Confident49 Ų4946.1 Ų46.134%0.34326%0.257SS..  trans-76.8175.8173.295.30000112E818 D819 F820S816-E818 VanDerWaalsContact C-N 3.3Å; S816-E818 PolarHBondContact OG-N 3.07Å; S816-D819 VanDerWaalsContact CB-OD1 3.3Å; S816-D819 WeakPolarHBondContact CB-OD1 3.47Å; S816-D819 VanDerWaalsContact N-CG 3.29Å; S816-D819 PolarHBondContact N-OD2 3.27Å; S816-D819 PolarHBondContact OG-N 3.2Å; S816-D819 PolarHBondContact OG-OD1 2.88Å; S816-F820 VanDerWaalsContact O-CD2 3.29Å; S816-F820 WeakPolarHBondContact O-CD2 3.43Å
817K74.6Confident76Confident71 Ų7148 Ų4831%0.30927%0.268SS..SBendtrans-68.8-30.5169.471.7-170.7179.8-172.90111.9F820 L822K817-F820 PolarHBondContact O-N 3.3Å; K817-L822 WeakPolarHBondContact O-CB 3.42Å; K817-L822 PolarHBondContact O-N 3.23Å
818E72Confident75.6Confident108 Ų10846.7 Ų46.751%0.50526%0.257SS..G310 helixtrans-75.7-28.6-175-76.1146.6-147.100111.1S816 F820 G821S816-E818 VanDerWaalsContact C-N 3.3Å; S816-E818 PolarHBondContact OG-N 3.07Å; E818-F820 PolarHBondContact O-N 2.82Å; E818-F820 VanDerWaalsContact O-N 3.16Å; E818-G821 WeakPolarHBondContact O-CA 3.5Å; E818-G821 PolarHBondContact O-N 3.47Å
819D75.8Confident74.9Confident64 Ų6448.7 Ų48.734%0.34227%0.271SS..G310 helixtrans-61.3-23.2174.4-49.87.3000112.4L815 S816L815-D819 WeakPolarHBondContact CA-OD2 3.45Å; L815-D819 HydrophobicContact CB-CB 4.33Å; L815-D819 WeakPolarHBondContact CB-OD2 3.15Å; L815-D819 HydrophobicContact CD2-CB 3.96Å; L815-D819 VanDerWaalsContact CD2-OD2 3.27Å; L815-D819 WeakPolarHBondContact CD2-OD2 3.35Å; S816-D819 VanDerWaalsContact CB-OD1 3.3Å; S816-D819 WeakPolarHBondContact CB-OD1 3.47Å; S816-D819 VanDerWaalsContact N-CG 3.29Å; S816-D819 PolarHBondContact N-OD2 3.27Å; S816-D819 PolarHBondContact OG-N 3.2Å; S816-D819 PolarHBondContact OG-OD1 2.88Å
820F75.2Confident74.3Confident23 Ų2353.3 Ų53.310%0.10130%0.304CS..G310 helixtrans-93.84.7173.5-65-77000113.5P705 L709 L812 L815 S816 K817 E818 L822 L844P705-F820 HydrophobicContact CB-CE1 4.18Å; L709-F820 HydrophobicContact CD1-CB 4.03Å; L709-F820 HydrophobicContact CD1-CD1 4.31Å; L812-F820 HydrophobicContact CD2-CZ 3.99Å; L815-F820 HydrophobicContact CB-CE2 3.85Å; L815-F820 HydrophobicContact CB-CZ 4.22Å; L815-F820 HydrophobicContact CD1-CE2 4.23Å; L815-F820 HydrophobicContact CD1-CZ 3.73Å; S816-F820 VanDerWaalsContact O-CD2 3.29Å; S816-F820 WeakPolarHBondContact O-CD2 3.43Å; K817-F820 PolarHBondContact O-N 3.3Å; E818-F820 PolarHBondContact O-N 2.82Å; E818-F820 VanDerWaalsContact O-N 3.16Å; F820-L822 HydrophobicContact CB-CD1 4.21Å; F820-L822 HydrophobicContact CB-CG 4.34Å; F820-L844 HydrophobicContact CB-CD2 4.21Å; F820-L844 HydrophobicContact CD1-CD1 4.09Å; F820-L844 HydrophobicContact CD1-CD2 4.28Å; F820-L844 HydrophobicContact CD2-CD2 3.96Å; F820-L844 HydrophobicContact CE1-CD1 3.86Å; F820-L844 HydrophobicContact CE2-CD1 4.37Å; F820-L844 HydrophobicContact CE2-CD2 4.43Å; F820-L844 HydrophobicContact CG-CD1 4.44Å; F820-L844 HydrophobicContact CG-CD2 3.88Å; F820-L844 HydrophobicContact CZ-CD1 4.02Å
821G71.8Confident74.1Confident51 Ų5152.2 Ų52.253%0.52630%0.301SS..THydrogen-bonded Turntrans7917-176.200000114.8E818 T823E818-G821 WeakPolarHBondContact O-CA 3.5Å; E818-G821 PolarHBondContact O-N 3.47Å; G821-T823 PolarHBondContact O-N 2.99Å
822L75.3Confident73.7Confident6 Ų654.5 Ų54.53%0.03132%0.315CS..  trans-101.472.5-174.8-58.2169.8000111.8K817 F820 F828 V841 L844 L900 L903K817-L822 WeakPolarHBondContact O-CB 3.42Å; K817-L822 PolarHBondContact O-N 3.23Å; F820-L822 HydrophobicContact CB-CD1 4.21Å; F820-L822 HydrophobicContact CB-CG 4.34Å; L822-F828 HydrophobicContact CD2-CZ 4.43Å; L822-V841 HydrophobicContact CD1-CG2 3.83Å; L822-V841 HydrophobicContact CD2-CG2 3.71Å; L822-V841 HydrophobicContact CG-CG2 4.42Å; L822-L844 HydrophobicContact CD1-CD2 3.89Å; L822-L900 HydrophobicContact CD1-CD2 4.03Å; L822-L903 HydrophobicContact CB-CD2 4.5Å
823T68.1Low73.5Confident57 Ų5758 Ų5835%0.3534%0.336SS..  trans-69.4162.317270.40000112.2G821 E825 T826G821-T823 PolarHBondContact O-N 2.99Å; T823-E825 PolarHBondContact O-N 3.36Å; T823-E825 PolarHBondContact OG1-N 3.43Å; T823-T826 PolarHBondContact O-N 3.44Å; T823-T826 PolarHBondContact O-OG1 3.41Å
824T64.1Low73.5Confident92 Ų9257 Ų5756%0.56433%0.331SS*.THydrogen-bonded Turntrans-59.7-23.1171.8410000113.5K907T824-K907 VanDerWaalsContact O-CE 3.26Å; T824-K907 WeakPolarHBondContact O-CE 3.36Å; T824-K907 PolarHBondContact O-NZ 3.34Å
825E64.9Low73.5Confident170 Ų17057.4 Ų57.479%0.79433%0.329SS*.THydrogen-bonded Turntrans-80.3-24.1-179.6-59.5-172.4146.400113.2T823 D827 K907T823-E825 PolarHBondContact O-N 3.36Å; T823-E825 PolarHBondContact OG1-N 3.43Å; E825-D827 PolarHBondContact O-N 3.12Å; E825-K907 PolarHBondContact O-NZ 3.22Å
826T71.8Confident73.8Confident22 Ų2257.8 Ų57.814%0.13533%0.331CS..  trans-48.1132.8-174.551.60000113.9T823 F828 K907T823-T826 PolarHBondContact O-N 3.44Å; T823-T826 PolarHBondContact O-OG1 3.41Å; T826-F828 WeakPolarHBondContact O-CD2 3.38Å; T826-F828 WeakPolarHBondContact OG1-CE2 3.38Å; T826-F828 WeakPolarHBondContact OG1-CZ 3.32Å; T826-K907 PolarHBondContact O-NZ 3.15Å
827D73.1Confident74.3Confident64 Ų6456.4 Ų56.434%0.34232%0.32SS..  trans-72.1131.9178-175.628.7000110.6E825 S829 S831 N837E825-D827 PolarHBondContact O-N 3.12Å; D827-S829 VanDerWaalsContact CG-OG 3.29Å; D827-S829 WeakPolarHBondContact OD1-CB 3.41Å; D827-S829 PolarHBondContact OD1-N 3.29Å; D827-S829 PolarHBondContact OD1-OG 3.21Å; D827-S829 VanDerWaalsContact OD1-OG 3.1Å; D827-S829 PolarHBondContact OD2-OG 3.2Å; D827-S831 PolarHBondContact OD2-OG 3.33Å; D827-N837 WeakPolarHBondContact O-CB 3.33Å; D827-N837 PolarHBondContact O-ND2 3.2Å
828F73.9Confident74.6Confident7 Ų755.8 Ų55.83%0.03132%0.316CS..  trans-126.721.1171.5-64.7-71.4000111.3L822 T826 N837 R838 V841 L903 L904 K907L822-F828 HydrophobicContact CD2-CZ 4.43Å; T826-F828 WeakPolarHBondContact O-CD2 3.38Å; T826-F828 WeakPolarHBondContact OG1-CE2 3.38Å; T826-F828 WeakPolarHBondContact OG1-CZ 3.32Å; F828-N837 HydrophobicContact CD1-CB 3.93Å; F828-N837 HydrophobicContact CE1-CB 3.77Å; F828-R838 HydrophobicContact CD1-CG 4.15Å; F828-R838 VanDerWaalsContact O-CZ 3.23Å; F828-R838 PolarHBondContact O-NE 3.35Å; F828-R838 PolarHBondContact O-NH2 2.93Å; F828-V841 HydrophobicContact CE1-CG2 3.65Å; F828-V841 HydrophobicContact CZ-CG2 3.91Å; F828-L903 HydrophobicContact CE2-CD1 4.15Å; F828-L903 HydrophobicContact CE2-CD2 3.81Å; F828-L903 HydrophobicContact CE2-CG 3.72Å; F828-L903 HydrophobicContact CZ-CD2 3.76Å; F828-L903 HydrophobicContact CZ-CG 4.08Å; F828-L904 HydrophobicContact CD1-CD2 4.38Å; F828-K907 HydrophobicContact CD2-CD 4.4Å
829S72.1Confident74.9Confident42 Ų4251.7 Ų51.729%0.29430%0.297SS..SBendtrans-64.6-171176.476.30000112.8D827 S831 R838D827-S829 VanDerWaalsContact CG-OG 3.29Å; D827-S829 WeakPolarHBondContact OD1-CB 3.41Å; D827-S829 PolarHBondContact OD1-N 3.29Å; D827-S829 PolarHBondContact OD1-OG 3.21Å; D827-S829 VanDerWaalsContact OD1-OG 3.1Å; D827-S829 PolarHBondContact OD2-OG 3.2Å; S829-S831 PolarHBondContact O-N 2.85Å; S829-S831 VanDerWaalsContact OG-CB 3.29Å; S829-S831 WeakPolarHBondContact OG-CB 3.3Å; S829-S831 PolarHBondContact OG-N 2.93Å; S829-S831 VanDerWaalsContact OG-N 3.13Å; S829-S831 PolarHBondContact OG-OG 3.05Å; S829-R838 PolarHBondContact O-NE 3.15Å; S829-R838 PolarHBondContact O-NH2 3.4Å; S829-R838 VanDerWaalsContact O-NH2 3.08Å
830S71.9Confident75.2Confident98 Ų9850 Ų5069%0.68529%0.286SS*.SBendtrans-78.80.3172.450.10000113.9K835S830-K835 VanDerWaalsContact O-CE 3.3Å; S830-K835 WeakPolarHBondContact O-CE 3.33Å
831S77.4Confident75.6Confident40 Ų4049 Ų4928%0.2828%0.281SS..SBendtrans-60163.9175.478.20000112.1D827 S829 V833 G834 K835D827-S831 PolarHBondContact OD2-OG 3.33Å; S829-S831 PolarHBondContact O-N 2.85Å; S829-S831 VanDerWaalsContact OG-CB 3.29Å; S829-S831 WeakPolarHBondContact OG-CB 3.3Å; S829-S831 PolarHBondContact OG-N 2.93Å; S829-S831 VanDerWaalsContact OG-N 3.13Å; S829-S831 PolarHBondContact OG-OG 3.05Å; S831-V833 VanDerWaalsContact C-N 3.32Å; S831-V833 PolarHBondContact O-N 3Å; S831-G834 PolarHBondContact O-N 3.38Å; S831-G834 PolarHBondContact OG-N 3.46Å; S831-K835 WeakPolarHBondContact O-CG 3.26Å; S831-K835 PolarHBondContact O-N 3.08Å
832T75.7Confident76Confident56 Ų5648.3 Ų48.334%0.34427%0.265SS..Hα-helixtrans-61.5-41.5174.9450000111.5N720 K835 L836N720-T832 HydrophobicContact CB-CG2 4.21Å; T832-K835 PolarHBondContact O-N 3.39Å; T832-L836 WeakPolarHBondContact O-CB 3.29Å; T832-L836 PolarHBondContact O-N 3.5Å
833V78.6Confident76.4Confident72 Ų7248.4 Ų48.444%0.43627%0.265SS..Hα-helixtrans-65.7-41.2174.1-177.80000111.5S831 K835 L836 N837S831-V833 VanDerWaalsContact C-N 3.32Å; S831-V833 PolarHBondContact O-N 3Å; V833-K835 PolarHBondContact O-N 3.26Å; V833-L836 WeakPolarHBondContact O-CB 3.26Å; V833-L836 PolarHBondContact O-N 2.85Å; V833-N837 WeakPolarHBondContact O-CB 3.39Å; V833-N837 VanDerWaalsContact O-CG 3.28Å; V833-N837 PolarHBondContact O-N 3.43Å; V833-N837 PolarHBondContact O-ND2 3.01Å
834G79.8Confident77.2Confident0 Ų045.8 Ų45.80%025%0.249CC..Hα-helixtrans-63-40.9175.700000112.5S831 R838S831-G834 PolarHBondContact O-N 3.38Å; S831-G834 PolarHBondContact OG-N 3.46Å; G834-R838 VanDerWaalsContact O-CG 3.23Å; G834-R838 WeakPolarHBondContact O-CG 3.46Å; G834-R838 PolarHBondContact O-N 3.35Å
835K77.3Confident78.1Confident110 Ų11041.4 Ų41.448%0.47822%0.222SC..Hα-helixtrans-63.9-44.9171.2-71.1167.8-178.9172.20112I722 S830 S831 T832 V833 N837 R838 D839I722-K835 HydrophobicContact CD1-CB 3.77Å; S830-K835 VanDerWaalsContact O-CE 3.3Å; S830-K835 WeakPolarHBondContact O-CE 3.33Å; S831-K835 WeakPolarHBondContact O-CG 3.26Å; S831-K835 PolarHBondContact O-N 3.08Å; T832-K835 PolarHBondContact O-N 3.39Å; V833-K835 PolarHBondContact O-N 3.26Å; K835-N837 PolarHBondContact O-N 3.48Å; K835-R838 PolarHBondContact O-N 3.05Å; K835-D839 WeakPolarHBondContact O-CB 3.46Å; K835-D839 PolarHBondContact O-N 3.48Å
836L83Confident79Confident11 Ų1134.8 Ų34.86%0.05819%0.192CC..Hα-helixtrans-59-45176.5178.267000111.6I713 L715 I722 T832 V833 D839 R840I713-L836 HydrophobicContact CB-CD1 4.42Å; I713-L836 HydrophobicContact CG2-CD1 3.64Å; L715-L836 HydrophobicContact CB-CD2 4.24Å; I722-L836 HydrophobicContact CD1-CB 4.33Å; I722-L836 HydrophobicContact CG1-CB 4.48Å; I722-L836 HydrophobicContact CG1-CD1 4.41Å; I722-L836 HydrophobicContact CG2-CD1 4.06Å; T832-L836 WeakPolarHBondContact O-CB 3.29Å; T832-L836 PolarHBondContact O-N 3.5Å; V833-L836 WeakPolarHBondContact O-CB 3.26Å; V833-L836 PolarHBondContact O-N 2.85Å; L836-D839 PolarHBondContact O-N 3.37Å; L836-R840 WeakPolarHBondContact O-CG 3.35Å; L836-R840 PolarHBondContact O-N 3.31Å
837N83.3Confident79.7Confident20 Ų2033.8 Ų33.811%0.10719%0.186CC..Hα-helixtrans-67.7-41.5177.6-70.3-17000112.2D827 F828 V833 K835 D839 R840 V841D827-N837 WeakPolarHBondContact O-CB 3.33Å; D827-N837 PolarHBondContact O-ND2 3.2Å; F828-N837 HydrophobicContact CD1-CB 3.93Å; F828-N837 HydrophobicContact CE1-CB 3.77Å; V833-N837 WeakPolarHBondContact O-CB 3.39Å; V833-N837 VanDerWaalsContact O-CG 3.28Å; V833-N837 PolarHBondContact O-N 3.43Å; V833-N837 PolarHBondContact O-ND2 3.01Å; K835-N837 PolarHBondContact O-N 3.48Å; N837-D839 VanDerWaalsContact C-N 3.3Å; N837-D839 PolarHBondContact O-N 2.89Å; N837-R840 PolarHBondContact O-N 2.97Å; N837-V841 WeakPolarHBondContact O-CG2 3.45Å; N837-V841 PolarHBondContact O-N 3.28Å
838R81.3Confident80.4Confident59 Ų5931 Ų3122%0.22317%0.171CC..Hα-helixtrans-56.1-46.5169.9-71.3169.1-164.3-1363.9111F828 S829 G834 K835 R840 V841 H842 L904 H908F828-R838 HydrophobicContact CD1-CG 4.15Å; F828-R838 VanDerWaalsContact O-CZ 3.23Å; F828-R838 PolarHBondContact O-NE 3.35Å; F828-R838 PolarHBondContact O-NH2 2.93Å; S829-R838 PolarHBondContact O-NE 3.15Å; S829-R838 PolarHBondContact O-NH2 3.4Å; S829-R838 VanDerWaalsContact O-NH2 3.08Å; G834-R838 VanDerWaalsContact O-CG 3.23Å; G834-R838 WeakPolarHBondContact O-CG 3.46Å; G834-R838 PolarHBondContact O-N 3.35Å; K835-R838 PolarHBondContact O-N 3.05Å; R838-R840 VanDerWaalsContact C-N 3.33Å; R838-R840 PolarHBondContact O-N 2.85Å; R838-V841 PolarHBondContact O-N 3.36Å; R838-H842 WeakPolarHBondContact O-CB 3.22Å; R838-H842 PolarHBondContact O-CD2 3.09Å; R838-H842 PolarHBondContact O-N 2.87Å; R838-L904 HydrophobicContact CG-CD2 4.38Å; R838-H908 PolarHBondContact NH2-CE1 3.33Å; R838-H908 PolarHBondContact NH2-NE2 3.38Å
839D77.3Confident80.8Confident22 Ų2230.8 Ų30.812%0.11817%0.17CC..Hα-helixtrans-66.6-33.1-178.3-100.218.5000113.1I713 R724 K835 L836 N837 L843 R926I713-D839 HydrophobicContact CD1-CB 4.23Å; I713-D839 WeakPolarHBondContact CD1-O 3.33Å; R724-D839 IonicContact CZ-OD2 3.56Å; R724-D839 IonicContact NH1-OD2 3.47Å; R724-D839 PolarHBondContact NH1-OD2 3.46Å; R724-D839 VanDerWaalsContact NH1-OD2 3.15Å; R724-D839 IonicContact NH2-OD1 3.59Å; R724-D839 IonicContact NH2-OD2 3.75Å; R724-D839 PolarHBondContact NH2-OD2 2.87Å; K835-D839 WeakPolarHBondContact O-CB 3.46Å; K835-D839 PolarHBondContact O-N 3.48Å; L836-D839 PolarHBondContact O-N 3.37Å; N837-D839 VanDerWaalsContact C-N 3.3Å; N837-D839 PolarHBondContact O-N 2.89Å; D839-L843 WeakPolarHBondContact O-CB 3.28Å; D839-L843 PolarHBondContact O-N 2.95Å; D839-R926 VanDerWaalsContact CG-NH1 3.33Å; D839-R926 VanDerWaalsContact CG-NH2 3.32Å; D839-R926 IonicContact OD1-CZ 3.59Å; D839-R926 IonicContact OD1-NH1 3.47Å; D839-R926 PolarHBondContact OD1-NH1 3.02Å; D839-R926 VanDerWaalsContact OD1-NH1 3.11Å; D839-R926 IonicContact OD1-NH2 3.72Å; D839-R926 PolarHBondContact OD1-NH2 3.26Å; D839-R926 IonicContact OD2-CZ 3.46Å; D839-R926 IonicContact OD2-NH1 2.7Å; D839-R926 PolarHBondContact OD2-NH1 3.37Å; D839-R926 IonicContact OD2-NH2 3.89Å; D839-R926 PolarHBondContact OD2-NH2 3.48Å
840R84.1Confident81.4Confident29 Ų2928.8 Ų28.811%0.10916%0.156CC..Hα-helixtrans-68-43.4170.7-73.2171.5177.4166.7-3.1112.2L709 N710 I713 L836 N837 R838 L843 L844L709-R840 HydrophobicContact CB-CB 4.45Å; L709-R840 HydrophobicContact CB-CG 4.21Å; L709-R840 HydrophobicContact CD1-CB 4.3Å; N710-R840 PolarHBondContact OD1-NH1 2.9Å; N710-R840 PolarHBondContact OD1-NH2 3.48Å; I713-R840 HydrophobicContact CB-CG 4.17Å; I713-R840 HydrophobicContact CD1-CG 4.32Å; I713-R840 PolarHBondContact O-NE 3.31Å; I713-R840 PolarHBondContact O-NH2 3.19Å; L836-R840 WeakPolarHBondContact O-CG 3.35Å; L836-R840 PolarHBondContact O-N 3.31Å; N837-R840 PolarHBondContact O-N 2.97Å; R838-R840 VanDerWaalsContact C-N 3.33Å; R838-R840 PolarHBondContact O-N 2.85Å; R840-L843 PolarHBondContact O-N 3.47Å; R840-L844 PolarHBondContact O-N 2.91Å
841V83.1Confident82.1Confident0 Ų024.2 Ų24.20%012%0.123CC..Hα-helixtrans-66.1-39.1174174.90000111.5L822 F828 N837 R838 L844 I845 L900 L904L822-V841 HydrophobicContact CD1-CG2 3.83Å; L822-V841 HydrophobicContact CD2-CG2 3.71Å; L822-V841 HydrophobicContact CG-CG2 4.42Å; F828-V841 HydrophobicContact CE1-CG2 3.65Å; F828-V841 HydrophobicContact CZ-CG2 3.91Å; N837-V841 WeakPolarHBondContact O-CG2 3.45Å; N837-V841 PolarHBondContact O-N 3.28Å; R838-V841 PolarHBondContact O-N 3.36Å; V841-L844 PolarHBondContact O-N 3.47Å; V841-I845 HydrophobicContact CG1-CD1 3.75Å; V841-I845 HydrophobicContact CG1-CG1 4.25Å; V841-I845 VanDerWaalsContact O-CG1 3.31Å; V841-I845 WeakPolarHBondContact O-CG1 3.38Å; V841-I845 PolarHBondContact O-N 3.39Å; V841-L900 HydrophobicContact CG1-CB 4.49Å; V841-L904 HydrophobicContact CB-CD2 4.21Å; V841-L904 HydrophobicContact CG1-CD1 3.94Å; V841-L904 HydrophobicContact CG1-CD2 3.93Å; V841-L904 HydrophobicContact CG1-CG 3.85Å
842H80.2Confident82.4Confident38 Ų3822.4 Ų22.418%0.17611%0.111CC..Hα-helixtrans-60.2-46.7173.4-89.6-73.7000112.1R838 L844 I845 N846 Y918R838-H842 WeakPolarHBondContact O-CB 3.22Å; R838-H842 PolarHBondContact O-CD2 3.09Å; R838-H842 PolarHBondContact O-N 2.87Å; H842-L844 VanDerWaalsContact C-N 3.3Å; H842-L844 PolarHBondContact O-N 3.02Å; H842-I845 PolarHBondContact O-N 3.35Å; H842-N846 VanDerWaalsContact O-CG 3.27Å; H842-N846 PolarHBondContact O-N 3.42Å; H842-N846 PolarHBondContact O-OD1 3.35Å; H842-Y918 AromaticContact CE1-CD1 3.36Å; H842-Y918 WeakPolarHBondContact CE1-CD1 3.49Å; H842-Y918 AromaticContact CE1-CE1 3.9Å; H842-Y918 AromaticContact NE2-CD1 3.59Å; H842-Y918 AromaticContact NE2-CE1 3.73Å
843L83.3Confident82.6Confident7 Ų720 Ų204%0.03710%0.096CC..Hα-helixtrans-59.2-43.3175.317763.2000111.3L709 L712 I713 P728 D729 D839 R840 N846 I847L709-L843 HydrophobicContact CD2-CD2 4.18Å; L712-L843 HydrophobicContact CB-CD2 4.01Å; L712-L843 HydrophobicContact CD1-CD2 4.15Å; I713-L843 HydrophobicContact CD1-CB 4.02Å; I713-L843 HydrophobicContact CD1-CD2 3.87Å; I713-L843 HydrophobicContact CG1-CD2 3.98Å; P728-L843 HydrophobicContact CG-CD1 4.3Å; D729-L843 HydrophobicContact CB-CD1 3.83Å; D729-L843 VanDerWaalsContact CG-CD1 3.47Å; D839-L843 WeakPolarHBondContact O-CB 3.28Å; D839-L843 PolarHBondContact O-N 2.95Å; R840-L843 PolarHBondContact O-N 3.47Å; L843-N846 PolarHBondContact O-N 3.46Å; L843-I847 HydrophobicContact CD1-CD1 4.46Å; L843-I847 HydrophobicContact CG-CD1 4.28Å; L843-I847 WeakPolarHBondContact O-CG1 3.29Å; L843-I847 PolarHBondContact O-N 2.85Å
844L85.6Confident82.9Confident2 Ų216.8 Ų16.81%0.018%0.076CC..Hα-helixtrans-65.2-45178-172.460.1000112F820 L822 R840 V841 H842 N846 I847 Y848 L900F820-L844 HydrophobicContact CB-CD2 4.21Å; F820-L844 HydrophobicContact CD1-CD1 4.09Å; F820-L844 HydrophobicContact CD1-CD2 4.28Å; F820-L844 HydrophobicContact CD2-CD2 3.96Å; F820-L844 HydrophobicContact CE1-CD1 3.86Å; F820-L844 HydrophobicContact CE2-CD1 4.37Å; F820-L844 HydrophobicContact CE2-CD2 4.43Å; F820-L844 HydrophobicContact CG-CD1 4.44Å; F820-L844 HydrophobicContact CG-CD2 3.88Å; F820-L844 HydrophobicContact CZ-CD1 4.02Å; L822-L844 HydrophobicContact CD1-CD2 3.89Å; R840-L844 PolarHBondContact O-N 2.91Å; V841-L844 PolarHBondContact O-N 3.47Å; H842-L844 VanDerWaalsContact C-N 3.3Å; H842-L844 PolarHBondContact O-N 3.02Å; L844-N846 VanDerWaalsContact C-N 3.32Å; L844-N846 PolarHBondContact O-N 3.12Å; L844-I847 WeakPolarHBondContact O-CB 3.43Å; L844-I847 PolarHBondContact O-N 3.27Å; L844-I847 VanDerWaalsContact O-N 3.13Å; L844-Y848 HydrophobicContact CD1-CD2 4.2Å; L844-Y848 HydrophobicContact CD1-CE2 3.88Å; L844-Y848 HydrophobicContact CD2-CE2 4.4Å; L844-Y848 HydrophobicContact CG-CD2 4.04Å; L844-Y848 HydrophobicContact CG-CE2 3.87Å; L844-Y848 VanDerWaalsContact O-CD2 3.31Å; L844-Y848 WeakPolarHBondContact O-CD2 3.46Å; L844-Y848 PolarHBondContact O-N 3.19Å; L844-L900 HydrophobicContact CB-CD1 4.49Å; L844-L900 HydrophobicContact CD2-CD1 3.68Å; L844-L900 HydrophobicContact CD2-CD2 4.04Å; L844-L900 HydrophobicContact CG-CD1 3.76Å
845I83.1Confident83Confident0 Ų016.8 Ų16.80%08%0.076CC..Hα-helixtrans-60.6-41.5175.9-68.5169.4000110.9V841 H842 I847 Y848 D849 R897 L900 L904V841-I845 HydrophobicContact CG1-CD1 3.75Å; V841-I845 HydrophobicContact CG1-CG1 4.25Å; V841-I845 VanDerWaalsContact O-CG1 3.31Å; V841-I845 WeakPolarHBondContact O-CG1 3.38Å; V841-I845 PolarHBondContact O-N 3.39Å; H842-I845 PolarHBondContact O-N 3.35Å; I845-I847 VanDerWaalsContact C-N 3.33Å; I845-I847 PolarHBondContact O-N 3.41Å; I845-Y848 WeakPolarHBondContact O-CB 3.3Å; I845-Y848 PolarHBondContact O-N 3.27Å; I845-D849 PolarHBondContact O-N 3.49Å; I845-R897 HydrophobicContact CG2-CG 4.48Å; I845-L900 HydrophobicContact CD1-CB 4.08Å; I845-L900 HydrophobicContact CG1-CB 3.8Å; I845-L900 HydrophobicContact CG1-CD1 4.21Å; I845-L904 HydrophobicContact CD1-CD1 3.85Å
846N82.2Confident83Confident32 Ų3212 Ų1217%0.1716%0.055CC..Hα-helixtrans-60-41.7174.3-69.8-2.7000111.7D729 H842 L843 L844 Y848 D849 A850 L921D729-N846 HydrophobicContact CB-CB 3.68Å; D729-N846 WeakPolarHBondContact OD2-CB 3.32Å; D729-N846 PolarHBondContact OD2-ND2 3.44Å; H842-N846 VanDerWaalsContact O-CG 3.27Å; H842-N846 PolarHBondContact O-N 3.42Å; H842-N846 PolarHBondContact O-OD1 3.35Å; L843-N846 PolarHBondContact O-N 3.46Å; L844-N846 VanDerWaalsContact C-N 3.32Å; L844-N846 PolarHBondContact O-N 3.12Å; N846-Y848 PolarHBondContact O-N 3.32Å; N846-D849 PolarHBondContact O-N 3.39Å; N846-A850 PolarHBondContact O-N 2.99Å; N846-L921 HydrophobicContact CB-CD1 4.22Å; N846-L921 HydrophobicContact CB-CD2 4.13Å; N846-L921 HydrophobicContact CB-CG 4.01Å; N846-L921 WeakPolarHBondContact O-CD1 3.38Å
847I87.2Confident82.6Confident0 Ų013.1 Ų13.10%06%0.06CC..Hα-helixtrans-61.9-43.2175.2-67.3166000110.7F707 P728 D729 I732 L812 L843 L844 I845 D849 A850 C851F707-I847 HydrophobicContact CD2-CD1 3.93Å; F707-I847 HydrophobicContact CE2-CD1 4.15Å; F707-I847 HydrophobicContact CE2-CG2 4.28Å; P728-I847 HydrophobicContact CG-CD1 4.47Å; D729-I847 HydrophobicContact CB-CG1 3.98Å; I732-I847 HydrophobicContact CD1-CG1 4.31Å; I732-I847 HydrophobicContact CD1-CG2 4.04Å; L812-I847 HydrophobicContact CD1-CG2 3.87Å; L843-I847 HydrophobicContact CD1-CD1 4.46Å; L843-I847 HydrophobicContact CG-CD1 4.28Å; L843-I847 WeakPolarHBondContact O-CG1 3.29Å; L843-I847 PolarHBondContact O-N 2.85Å; L844-I847 WeakPolarHBondContact O-CB 3.43Å; L844-I847 PolarHBondContact O-N 3.27Å; L844-I847 VanDerWaalsContact O-N 3.13Å; I845-I847 VanDerWaalsContact C-N 3.33Å; I845-I847 PolarHBondContact O-N 3.41Å; I847-D849 PolarHBondContact O-N 2.79Å; I847-A850 PolarHBondContact O-N 2.99Å; I847-C851 PolarHBondContact O-N 3.37Å
848Y87.1Confident82Confident7 Ų712.9 Ų12.93%0.0276%0.059CC..Hα-helixtrans-61.3-40.7173.4-85.5-82.4000112.6L812 L844 I845 N846 L852 L893 K896 R897 L900L812-Y848 HydrophobicContact CB-CE1 3.97Å; L812-Y848 HydrophobicContact CD2-CE1 4.48Å; L812-Y848 HydrophobicContact CD2-CE2 4.08Å; L844-Y848 HydrophobicContact CD1-CD2 4.2Å; L844-Y848 HydrophobicContact CD1-CE2 3.88Å; L844-Y848 HydrophobicContact CD2-CE2 4.4Å; L844-Y848 HydrophobicContact CG-CD2 4.04Å; L844-Y848 HydrophobicContact CG-CE2 3.87Å; L844-Y848 VanDerWaalsContact O-CD2 3.31Å; L844-Y848 WeakPolarHBondContact O-CD2 3.46Å; L844-Y848 PolarHBondContact O-N 3.19Å; I845-Y848 WeakPolarHBondContact O-CB 3.3Å; I845-Y848 PolarHBondContact O-N 3.27Å; N846-Y848 PolarHBondContact O-N 3.32Å; Y848-L852 VanDerWaalsContact O-CB 3.29Å; Y848-L852 WeakPolarHBondContact O-CB 3.41Å; Y848-L852 PolarHBondContact O-N 3.05Å; Y848-L893 HydrophobicContact CD1-CD1 3.61Å; Y848-L893 HydrophobicContact CD1-CG 3.98Å; Y848-L893 HydrophobicContact CE1-CD1 3.75Å; Y848-L893 HydrophobicContact CE1-CG 4.49Å; Y848-K896 HydrophobicContact CD1-CB 4.49Å; Y848-K896 HydrophobicContact CE1-CB 3.69Å; Y848-K896 HydrophobicContact CE1-CD 4.3Å; Y848-R897 HydrophobicContact CD1-CB 4.4Å; Y848-R897 HydrophobicContact CG-CB 4.35Å; Y848-L900 HydrophobicContact CD2-CD1 3.66Å; Y848-L900 HydrophobicContact CE2-CD1 3.56Å
849D82.4Confident81Confident2 Ų210.2 Ų10.21%0.0115%0.049CC..Hα-helixtrans-63.1-41.3174.5-78.6-39.2000112.1I845 N846 I847 L852 E853 R897 G919 L921 H967I845-D849 PolarHBondContact O-N 3.49Å; N846-D849 PolarHBondContact O-N 3.39Å; I847-D849 PolarHBondContact O-N 2.79Å; D849-L852 PolarHBondContact O-N 2.91Å; D849-E853 PolarHBondContact O-N 3.35Å; D849-R897 IonicContact OD1-CZ 3.61Å; D849-R897 IonicContact OD1-NE 3.72Å; D849-R897 PolarHBondContact OD1-NE 3.11Å; D849-R897 IonicContact OD1-NH2 2.71Å; D849-R897 PolarHBondContact OD1-NH2 3.22Å; D849-R897 IonicContact OD2-NE 3.53Å; D849-R897 IonicContact OD2-NH2 3.55Å; D849-G919 WeakPolarHBondContact OD2-CA 3.36Å; D849-G919 VanDerWaalsContact OD2-O 3.13Å; D849-L921 HydrophobicContact CB-CD1 4.33Å; D849-H967 IonicContact OD1-NE2 2.98Å; D849-H967 PolarHBondContact OD1-NE2 3.09Å
850A84.7Confident80.1Confident0 Ų011.4 Ų11.40%06%0.055CC..Hα-helixtrans-66.4-42.1179.100000112.6I732 W733 N846 I847 E853 F854 L921I732-A850 HydrophobicContact CB-CB 4.21Å; I732-A850 HydrophobicContact CG2-CB 3.62Å; W733-A850 HydrophobicContact CB-CB 4.1Å; N846-A850 PolarHBondContact O-N 2.99Å; I847-A850 PolarHBondContact O-N 2.99Å; A850-E853 PolarHBondContact O-N 2.81Å; A850-F854 PolarHBondContact O-N 2.86Å; A850-L921 HydrophobicContact CB-CD1 3.64Å
851C86.8Confident78.7Confident1 Ų112 Ų121%0.0077%0.07CC..Hα-helixtrans-69.1-33173.7-690000111.8L812 I847 F854 E855 L893L812-C851 HydrophobicContact CD1-CB 4.23Å; I847-C851 PolarHBondContact O-N 3.37Å; C851-F854 WeakPolarHBondContact O-CB 3.19Å; C851-F854 PolarHBondContact O-N 2.84Å; C851-F854 VanDerWaalsContact O-N 3.12Å; C851-E855 WeakPolarHBondContact O-CG 3.29Å; C851-E855 PolarHBondContact O-N 3.48Å; C851-L893 HydrophobicContact CB-CD2 3.84Å
852L83.6Confident76.8Confident2 Ų214.1 Ų14.11%0.019%0.085CC..Hα-helixtrans-64.6-43.9174.1-169.172.5000111.4Y848 D849 F854 E855 L856 I890 L893 F894 L964Y848-L852 VanDerWaalsContact O-CB 3.29Å; Y848-L852 WeakPolarHBondContact O-CB 3.41Å; Y848-L852 PolarHBondContact O-N 3.05Å; D849-L852 PolarHBondContact O-N 2.91Å; L852-F854 PolarHBondContact O-N 3.09Å; L852-E855 PolarHBondContact O-N 2.75Å; L852-L856 HydrophobicContact CD2-CD1 4.48Å; L852-L856 HydrophobicContact CG-CD1 3.93Å; L852-L856 HydrophobicContact CG-CG 4.28Å; L852-L856 VanDerWaalsContact O-CB 3.28Å; L852-L856 WeakPolarHBondContact O-CB 3.24Å; L852-L856 WeakPolarHBondContact O-CD1 3.36Å; L852-L856 WeakPolarHBondContact O-CG 3.41Å; L852-L856 PolarHBondContact O-N 3.02Å; L852-I890 HydrophobicContact CD1-CG2 4.18Å; L852-L893 HydrophobicContact CB-CD2 4.1Å; L852-L893 HydrophobicContact CD1-CD2 4.25Å; L852-F894 HydrophobicContact CD1-CB 4.29Å; L852-F894 HydrophobicContact CD2-CD2 4Å; L852-L964 HydrophobicContact CD1-CD1 4.45Å; L852-L964 HydrophobicContact CD2-CD1 4.36Å
853E80.9Confident75Confident7 Ų713.1 Ų13.13%0.0339%0.085CC..Hα-helixtrans-66.6-10.3173.2-78.1-169.2-104.500114.7W733 Q736 D849 A850 K857 S942 L943 R975W733-E853 PolarHBondContact NE1-OE1 3.31Å; Q736-E853 PolarHBondContact NE2-O 3.41Å; D849-E853 PolarHBondContact O-N 3.35Å; A850-E853 PolarHBondContact O-N 2.81Å; E853-K857 PolarHBondContact O-NZ 3.12Å; E853-S942 PolarHBondContact OE2-OG 3.06Å; E853-S942 VanDerWaalsContact OE2-OG 3.09Å; E853-L943 HydrophobicContact CG-CD2 4.28Å; E853-R975 VanDerWaalsContact CD-NH1 3.31Å; E853-R975 IonicContact OE1-CZ 3.39Å; E853-R975 IonicContact OE1-NH1 3.59Å; E853-R975 PolarHBondContact OE1-NH1 2.98Å; E853-R975 IonicContact OE1-NH2 2.74Å; E853-R975 PolarHBondContact OE1-NH2 3.2Å; E853-R975 IonicContact OE2-CZ 3.84Å; E853-R975 IonicContact OE2-NH1 3.57Å; E853-R975 PolarHBondContact OE2-NH1 3.29Å; E853-R975 IonicContact OE2-NH2 2.72Å
854F84.6Confident72.9Confident3 Ų314.5 Ų14.51%0.0139%0.093CC..Hα-helixtrans-88.9-56.6170177.5-116.7000111.7Q736 W748 V802 L805 I806 A850 C851 L852 L856 K857 P859Q736-F854 HydrophobicContact CG-CB 4.3Å; W748-F854 HydrophobicContact CH2-CE2 4.13Å; V802-F854 HydrophobicContact CG1-CZ 4.25Å; L805-F854 HydrophobicContact CB-CD1 3.95Å; L805-F854 HydrophobicContact CB-CD2 4.49Å; L805-F854 HydrophobicContact CB-CE1 3.62Å; L805-F854 HydrophobicContact CB-CE2 4.18Å; L805-F854 HydrophobicContact CB-CG 4.37Å; L805-F854 HydrophobicContact CB-CZ 3.74Å; L805-F854 HydrophobicContact CD1-CD2 4.1Å; L805-F854 HydrophobicContact CD1-CE2 4.06Å; L805-F854 HydrophobicContact CD1-CZ 4.45Å; I806-F854 HydrophobicContact CB-CE1 4.46Å; I806-F854 HydrophobicContact CG1-CE1 3.63Å; I806-F854 HydrophobicContact CG1-CZ 3.76Å; A850-F854 PolarHBondContact O-N 2.86Å; C851-F854 WeakPolarHBondContact O-CB 3.19Å; C851-F854 PolarHBondContact O-N 2.84Å; C851-F854 VanDerWaalsContact O-N 3.12Å; L852-F854 PolarHBondContact O-N 3.09Å; F854-L856 VanDerWaalsContact C-N 3.25Å; F854-L856 PolarHBondContact O-N 3.38Å; F854-K857 PolarHBondContact O-N 2.89Å; F854-P859 HydrophobicContact CD1-CG 4.38Å; F854-P859 HydrophobicContact CE1-CB 4.28Å; F854-P859 HydrophobicContact CE1-CG 3.95Å; F854-P859 HydrophobicContact CE2-CB 3.94Å; F854-P859 HydrophobicContact CE2-CG 4.32Å; F854-P859 HydrophobicContact CZ-CB 3.73Å; F854-P859 HydrophobicContact CZ-CG 3.93Å
855E82Confident70.5Confident1 Ų119.3 Ų19.31%0.00512%0.122CC..Hα-helixtrans-59.2-33178.5-66.1-66.3156.400112.9S809 C851 L852 K857 D858 R889 I890 L893S809-E855 VanDerWaalsContact CB-OE1 3.25Å; S809-E855 WeakPolarHBondContact CB-OE1 3.38Å; S809-E855 WeakPolarHBondContact OG-CG 3.38Å; S809-E855 PolarHBondContact OG-OE1 3.44Å; C851-E855 WeakPolarHBondContact O-CG 3.29Å; C851-E855 PolarHBondContact O-N 3.48Å; L852-E855 PolarHBondContact O-N 2.75Å; E855-K857 PolarHBondContact O-N 2.92Å; E855-D858 PolarHBondContact O-N 3.18Å; E855-R889 IonicContact OE1-CZ 3.6Å; E855-R889 IonicContact OE1-NH1 3.77Å; E855-R889 PolarHBondContact OE1-NH1 3.38Å; E855-R889 IonicContact OE1-NH2 2.82Å; E855-R889 IonicContact OE2-CZ 3.74Å; E855-R889 IonicContact OE2-NH1 2.63Å; E855-R889 PolarHBondContact OE2-NH1 2.83Å; E855-I890 HydrophobicContact CB-CG1 3.9Å; E855-L893 HydrophobicContact CG-CD2 4.27Å
856L77.8Confident68.2Low8 Ų825.7 Ų25.74%0.04215%0.152CC..THydrogen-bonded Turntrans-64.7-6.9176.1-72.9171000114.6L852 F854 I890 A946 I951 L964 V968L852-L856 HydrophobicContact CD2-CD1 4.48Å; L852-L856 HydrophobicContact CG-CD1 3.93Å; L852-L856 HydrophobicContact CG-CG 4.28Å; L852-L856 VanDerWaalsContact O-CB 3.28Å; L852-L856 WeakPolarHBondContact O-CB 3.24Å; L852-L856 WeakPolarHBondContact O-CD1 3.36Å; L852-L856 WeakPolarHBondContact O-CG 3.41Å; L852-L856 PolarHBondContact O-N 3.02Å; F854-L856 VanDerWaalsContact C-N 3.25Å; F854-L856 PolarHBondContact O-N 3.38Å; L856-I890 HydrophobicContact CD2-CD1 4.41Å; L856-I890 HydrophobicContact CD2-CG2 3.66Å; L856-I890 HydrophobicContact CG-CG2 4.41Å; L856-A946 HydrophobicContact CB-CB 4.01Å; L856-A946 CarbonylContact O-C 3.59Å; L856-A946 WeakPolarHBondContact O-CA 3.45Å; L856-A946 WeakPolarHBondContact O-CB 3.36Å; L856-I951 HydrophobicContact CD2-CD1 3.84Å; L856-L964 HydrophobicContact CD2-CD2 4.46Å; L856-V968 HydrophobicContact CD1-CG2 4.19Å
857K73.6Confident65.8Low35 Ų3530.2 Ų30.215%0.15218%0.181CC..THydrogen-bonded Turntrans-94.11.3171-61.2-158.317568.60114.2T740 E853 F854 E855 S942 Q945 A946T740-K857 HydrophobicContact CG2-CD 3.96Å; E853-K857 PolarHBondContact O-NZ 3.12Å; F854-K857 PolarHBondContact O-N 2.89Å; E855-K857 PolarHBondContact O-N 2.92Å; K857-S942 WeakPolarHBondContact CE-O 3.36Å; K857-S942 PolarHBondContact NZ-O 2.62Å; K857-S942 PolarHBondContact NZ-OG 3.13Å; K857-Q945 HydrophobicContact CD-CB 4.49Å; K857-A946 HydrophobicContact CG-CB 4.08Å
858D70.2Confident63Low16 Ų1637.6 Ų37.69%0.08622%0.22CC..  trans49.664.9-172.2-163.6-6.1000112.4E855 L860 G861 C862 A886E855-D858 PolarHBondContact O-N 3.18Å; D858-L860 PolarHBondContact O-N 3.14Å; D858-G861 PolarHBondContact O-N 3.27Å; D858-G861 PolarHBondContact OD1-N 3.17Å; D858-G861 VanDerWaalsContact OD1-N 3.14Å; D858-C862 PolarHBondContact OD1-N 3.04Å; D858-C862 VanDerWaalsContact OD2-C 3.25Å; D858-C862 PolarHBondContact OD2-N 3.05Å; D858-A886 WeakPolarHBondContact OD1-CB 3.4Å
859P60.4Low60.3Low2 Ų244.1 Ų44.11%0.01326%0.256CS..THydrogen-bonded Turntrans-64.4-8.7-176.828.7-36000113.7W748 F854W748-P859 HydrophobicContact CH2-CB 3.89Å; W748-P859 HydrophobicContact CZ3-CB 3.85Å; F854-P859 HydrophobicContact CD1-CG 4.38Å; F854-P859 HydrophobicContact CE1-CB 4.28Å; F854-P859 HydrophobicContact CE1-CG 3.95Å; F854-P859 HydrophobicContact CE2-CB 3.94Å; F854-P859 HydrophobicContact CE2-CG 4.32Å; F854-P859 HydrophobicContact CZ-CB 3.73Å; F854-P859 HydrophobicContact CZ-CG 3.93Å
860L59Low57.7Low47 Ų4751.2 Ų51.225%0.24629%0.294CS..THydrogen-bonded Turntrans-100.1-2.9175.8-58.9177.4000112.6I806 D858 C862I806-L860 HydrophobicContact CD1-CD2 4.07Å; D858-L860 PolarHBondContact O-N 3.14Å; L860-C862 HydrophobicContact CB-CB 4.41Å; L860-C862 PolarHBondContact O-N 2.79Å; L860-C862 VanDerWaalsContact O-N 3.1Å
861G54.6Low55.1Low42 Ų4258.8 Ų58.843%0.43333%0.334SS..  trans58.622.2-178.100000114.2H752 D858 G863H752-G861 WeakPolarHBondContact ND1-CA 3.35Å; H752-G861 PolarHBondContact ND1-N 2.88Å; D858-G861 PolarHBondContact O-N 3.27Å; D858-G861 PolarHBondContact OD1-N 3.17Å; D858-G861 VanDerWaalsContact OD1-N 3.14Å; G861-G863 PolarHBondContact O-N 2.78Å
862C42.8Very low52.4Low45 Ų4567 Ų6730%0.30438%0.378SS..  trans-84.665.3-174.4-77.70000110.2D858 L860 A886D858-C862 PolarHBondContact OD1-N 3.04Å; D858-C862 VanDerWaalsContact OD2-C 3.25Å; D858-C862 PolarHBondContact OD2-N 3.05Å; L860-C862 HydrophobicContact CB-CB 4.41Å; L860-C862 PolarHBondContact O-N 2.79Å; L860-C862 VanDerWaalsContact O-N 3.1Å; C862-A886 HydrophobicContact CB-CB 4.24Å
863G43.3Very low49.7Very low17 Ų1775.7 Ų75.718%0.17542%0.418CS..  trans-48.6149.1-166.700000115.2G861 T865G861-G863 PolarHBondContact O-N 2.78Å; G863-T865 PolarHBondContact O-N 3Å; G863-T865 PolarHBondContact O-OG1 2.84Å
864V39.5Very low47.3Very low35 Ų3580.1 Ų80.121%0.21245%0.45CS..  trans-74.865.9-163.8-165.80000112.9H866 N1109V864-H866 PolarHBondContact O-N 3.32Å; V864-N1109 PolarHBondContact O-ND2 3.43Å
865T35.4Very low44.6Very low103 Ų10388.2 Ų88.263%0.63249%0.488SS*.  trans-93.380.1-178.346.30000110.7G863 T867G863-T865 PolarHBondContact O-N 3Å; G863-T865 PolarHBondContact O-OG1 2.84Å; T865-T867 PolarHBondContact O-N 2.87Å; T865-T867 VanDerWaalsContact O-N 3.11Å
866H35Very low42Very low135 Ų13598.7 Ų98.763%0.62553%0.534SS*.  trans-74.697.6164.5-87.1-64.9000109.6V864 N868 W887V864-H866 PolarHBondContact O-N 3.32Å; H866-N868 PolarHBondContact O-N 3.16Å; H866-W887 AromaticContact NE2-CD1 3.92Å
867T31.6Very low39.5Very low127 Ų127104.4 Ų104.478%0.77957%0.569SS**  trans-69.984.8177.253.50000111.7T865 N869T865-T867 PolarHBondContact O-N 2.87Å; T865-T867 VanDerWaalsContact O-N 3.11Å; T867-N869 PolarHBondContact O-N 2.91Å
868N27.9Very low37.2Very low154 Ų154109.9 Ų109.982%0.82460%0.6SS**  trans-69.6102.8162.7-89.2-2.2000109.1H866H866-N868 PolarHBondContact O-N 3.16Å
869N30.2Very low35.1Very low145 Ų145117.4 Ų117.478%0.77563%0.634SS**  trans-141.882.7163.1-101-16.2000109.8T867T867-N869 PolarHBondContact O-N 2.91Å
870N28.6Very low33.5Very low151 Ų151124 Ų12481%0.80767%0.669SS**  trans-67.5146.8150.9-68.5-24000107.4
871N29.6Very low32Very low159 Ų159125 Ų12585%0.8568%0.68SS**  trans76.766.5-175.4-47.4-21.9000115.9
872L30.4Very low30.9Very low174 Ų174127.6 Ų127.691%0.91170%0.698SS**  trans-152.5107.9134.3-110.6167.4000108.7
873Q27.1Very low30.5Very low184 Ų184128.5 Ų128.586%0.8672%0.715SS**  trans-115141.6-171.3-166.2170600110.1
874S29Very low30.7Very low100 Ų100133.9 Ų133.970%0.69974%0.736SS**SBendtrans76.2153-173.2840000116.4
875Q28.8Very low31.6Very low173 Ų173134.8 Ų134.881%0.80874%0.742SS**  trans58.572.5172.2-54.2-170.51900117.4
876F28Very low32.9Very low221 Ų221130.1 Ų130.197%0.96971%0.714SS**  -170.793.9126.1-95.1-60.6000109.6
877T24.8Very low34.5Very low128 Ų128124.9 Ų124.979%0.78569%0.688SS**  trans-90.4147.1170.938.30000110.7
878N25.4Very low36.4Very low149 Ų149121.8 Ų121.880%0.79767%0.667SS**  trans62.587.7173.7-56.6-15.3000116.9
879Q26.4Very low38.6Very low175 Ų175115.7 Ų115.782%0.81863%0.632SS**  -169.1147.8125.2-108.4167.662.900114.8
880N26.8Very low40.8Very low139 Ų139109.2 Ų109.274%0.74360%0.597SS**  trans60.2109.5151.6-54.5-20000120
881S27.6Very low43.1Very low68 Ų68107.2 Ų107.248%0.47658%0.578SS.*  trans-75127.6163.657.20000112Q693Q693-S881 PolarHBondContact NE2-OG 2.83Å
882A29.7Very low45.6Very low98 Ų98103.6 Ų103.681%0.8156%0.556SS**  trans-137.3143.7169.200000110.2
883G35.7Very low48.1Very low64 Ų6495.3 Ų95.366%0.6651%0.513SS*.  trans44.5100.4168.800000117.9P885G883-P885 WeakPolarHBondContact O-CD 3.48Å
884Q47.5Very low50.8Low130 Ų13087.7 Ų87.761%0.60748%0.477SS*.  trans-68.2123.7154-76.1-150.30.100108.2I888Q884-I888 HydrophobicContact CB-CD1 4.49Å
885P57.5Low53.4Low54 Ų5485.4 Ų85.435%0.35147%0.465SS..  trans-60.8141.5-176.822.7-33000110.7G883 W887 I888G883-P885 WeakPolarHBondContact O-CD 3.48Å; P885-W887 PolarHBondContact O-N 2.97Å; P885-I888 HydrophobicContact CG-CD1 4Å; P885-I888 HydrophobicContact CG-CG1 4.2Å; P885-I888 PolarHBondContact O-N 3.44Å
886A63.2Low56Low4 Ų479.6 Ų79.63%0.03344%0.437CS..Hα-helixtrans-51.3-29-173.500000113.3D858 C862 I888 R889 I890D858-A886 WeakPolarHBondContact OD1-CB 3.4Å; C862-A886 HydrophobicContact CB-CB 4.24Å; A886-I888 VanDerWaalsContact C-N 3.26Å; A886-I888 PolarHBondContact O-N 3.14Å; A886-R889 WeakPolarHBondContact O-CB 3.29Å; A886-R889 PolarHBondContact O-N 3.28Å; A886-R889 VanDerWaalsContact O-N 3.1Å; A886-I890 WeakPolarHBondContact O-CG1 3.36Å; A886-I890 PolarHBondContact O-N 2.76Å
887W67.7Low58.6Low25 Ų2569.4 Ų69.410%0.09539%0.392CS..Hα-helixtrans-52.2-35.7172.9-161-121.5000115.2H866 P885 I890 R891 I951 A954 V961 L964H866-W887 AromaticContact NE2-CD1 3.92Å; P885-W887 PolarHBondContact O-N 2.97Å; W887-I890 HydrophobicContact CE3-CD1 4.16Å; W887-I890 HydrophobicContact CZ3-CD1 4.49Å; W887-R891 WeakPolarHBondContact O-CB 3.48Å; W887-R891 VanDerWaalsContact O-CG 3.31Å; W887-R891 WeakPolarHBondContact O-CG 3.32Å; W887-R891 PolarHBondContact O-N 3.25Å; W887-I951 HydrophobicContact CZ3-CG1 4.36Å; W887-A954 HydrophobicContact CH2-CB 4.35Å; W887-A954 HydrophobicContact CZ2-CB 4.17Å; W887-V961 HydrophobicContact CH2-CG1 3.8Å; W887-V961 HydrophobicContact CZ2-CB 4.11Å; W887-V961 HydrophobicContact CZ2-CG1 3.48Å; W887-V961 VanDerWaalsContact CZ2-CG1 3.48Å; W887-V961 HydrophobicContact CZ2-CG2 3.57Å; W887-L964 HydrophobicContact CH2-CD2 3.88Å; W887-L964 HydrophobicContact CZ2-CD2 4.46Å; W887-L964 HydrophobicContact CZ3-CD2 4.35Å
888I71.8Confident61.3Low62 Ų6266.6 Ų66.632%0.31837%0.372SS..Hα-helixtrans-71.3-41.9178-60.2176.8000110.3Q884 P885 A886 R891 Q892Q884-I888 HydrophobicContact CB-CD1 4.49Å; P885-I888 HydrophobicContact CG-CD1 4Å; P885-I888 HydrophobicContact CG-CG1 4.2Å; P885-I888 PolarHBondContact O-N 3.44Å; A886-I888 VanDerWaalsContact C-N 3.26Å; A886-I888 PolarHBondContact O-N 3.14Å; I888-R891 PolarHBondContact O-N 2.93Å; I888-Q892 HydrophobicContact CG2-CG 4.39Å; I888-Q892 WeakPolarHBondContact O-CG 3.35Å; I888-Q892 PolarHBondContact O-N 3.48Å
889R74Confident64Low26 Ų2663.5 Ų63.510%0.09836%0.358CS..Hα-helixtrans-57.8-59174.7-57.7178.187.6-133.310.4109.3D810 H813 E855 A886 R891 Q892 L893D810-R889 IonicContact OD1-CZ 3.7Å; D810-R889 IonicContact OD1-NE 3.88Å; D810-R889 IonicContact OD1-NH2 3.7Å; D810-R889 PolarHBondContact OD1-NH2 3.11Å; D810-R889 IonicContact OD2-NH2 2.69Å; D810-R889 PolarHBondContact OD2-NH2 3.29Å; H813-R889 PolarHBondContact CE1-O 2.79Å; E855-R889 IonicContact OE1-CZ 3.6Å; E855-R889 IonicContact OE1-NH1 3.77Å; E855-R889 PolarHBondContact OE1-NH1 3.38Å; E855-R889 IonicContact OE1-NH2 2.82Å; E855-R889 IonicContact OE2-CZ 3.74Å; E855-R889 IonicContact OE2-NH1 2.63Å; E855-R889 PolarHBondContact OE2-NH1 2.83Å; A886-R889 WeakPolarHBondContact O-CB 3.29Å; A886-R889 PolarHBondContact O-N 3.28Å; A886-R889 VanDerWaalsContact O-N 3.1Å; R889-R891 PolarHBondContact O-N 2.85Å; R889-Q892 PolarHBondContact O-N 3.5Å; R889-L893 PolarHBondContact O-N 3.43Å
890I78.2Confident66.5Low10 Ų1055.5 Ų55.55%0.05132%0.32CS..Hα-helixtrans-48-44.4179.2-63.4162.7000112.1L852 E855 L856 A886 W887 F894 L964L852-I890 HydrophobicContact CD1-CG2 4.18Å; E855-I890 HydrophobicContact CB-CG1 3.9Å; L856-I890 HydrophobicContact CD2-CD1 4.41Å; L856-I890 HydrophobicContact CD2-CG2 3.66Å; L856-I890 HydrophobicContact CG-CG2 4.41Å; A886-I890 WeakPolarHBondContact O-CG1 3.36Å; A886-I890 PolarHBondContact O-N 2.76Å; W887-I890 HydrophobicContact CE3-CD1 4.16Å; W887-I890 HydrophobicContact CZ3-CD1 4.49Å; I890-F894 WeakPolarHBondContact O-CB 3.39Å; I890-F894 PolarHBondContact O-N 3.35Å; I890-F894 VanDerWaalsContact O-N 3.13Å; I890-L964 HydrophobicContact CG2-CD1 4.49Å; I890-L964 HydrophobicContact CG2-CD2 3.64Å
891R76.3Confident68.9Low108 Ų10850.4 Ų50.441%0.40829%0.293SS..Hα-helixtrans-67.3-41.4177.7-75.217760.41552.7114W887 I888 R889 A895 S960W887-R891 WeakPolarHBondContact O-CB 3.48Å; W887-R891 VanDerWaalsContact O-CG 3.31Å; W887-R891 WeakPolarHBondContact O-CG 3.32Å; W887-R891 PolarHBondContact O-N 3.25Å; I888-R891 PolarHBondContact O-N 2.93Å; R889-R891 PolarHBondContact O-N 2.85Å; R891-A895 WeakPolarHBondContact O-CB 3.35Å; R891-A895 PolarHBondContact O-N 3.48Å; R891-S960 PolarHBondContact NH1-OG 3.3Å
892Q81.4Confident71.2Confident83 Ų8351.5 Ų51.539%0.38829%0.294SS..Hα-helixtrans-64.5-42.9176.8-72.8174.32.900111.8H813 I888 R889 A895 K896H813-Q892 PolarHBondContact ND1-OE1 3.37Å; I888-Q892 HydrophobicContact CG2-CG 4.39Å; I888-Q892 WeakPolarHBondContact O-CG 3.35Å; I888-Q892 PolarHBondContact O-N 3.48Å; R889-Q892 PolarHBondContact O-N 3.5Å; Q892-A895 PolarHBondContact O-N 3.37Å; Q892-K896 PolarHBondContact O-N 2.98Å
893L84.2Confident73.4Confident1 Ų148.4 Ų48.41%0.00526%0.263CS..Hα-helixtrans-62.6-45.5178.7-163.270.9000110.8L812 Y848 C851 L852 E855 R889 A895 K896 R897L812-L893 HydrophobicContact CB-CD1 3.99Å; Y848-L893 HydrophobicContact CD1-CD1 3.61Å; Y848-L893 HydrophobicContact CD1-CG 3.98Å; Y848-L893 HydrophobicContact CE1-CD1 3.75Å; Y848-L893 HydrophobicContact CE1-CG 4.49Å; C851-L893 HydrophobicContact CB-CD2 3.84Å; L852-L893 HydrophobicContact CB-CD2 4.1Å; L852-L893 HydrophobicContact CD1-CD2 4.25Å; E855-L893 HydrophobicContact CG-CD2 4.27Å; R889-L893 PolarHBondContact O-N 3.43Å; L893-A895 VanDerWaalsContact C-N 3.35Å; L893-A895 PolarHBondContact O-N 2.91Å; L893-K896 PolarHBondContact O-N 3.46Å; L893-R897 WeakPolarHBondContact O-CB 3.43Å; L893-R897 PolarHBondContact O-N 3.26Å; L893-R897 VanDerWaalsContact O-N 3.07Å
894F83.6Confident75.1Confident23 Ų2346.3 Ų46.310%0.10124%0.237CC..Hα-helixtrans-63.6-37.1175.8-173.5-101.6000112.9L852 I890 R897 L898 P963 L964 H967L852-F894 HydrophobicContact CD1-CB 4.29Å; L852-F894 HydrophobicContact CD2-CD2 4Å; I890-F894 WeakPolarHBondContact O-CB 3.39Å; I890-F894 PolarHBondContact O-N 3.35Å; I890-F894 VanDerWaalsContact O-N 3.13Å; F894-R897 PolarHBondContact O-N 3.49Å; F894-L898 WeakPolarHBondContact O-CB 3.27Å; F894-L898 PolarHBondContact O-N 2.91Å; F894-P963 HydrophobicContact CE1-CB 3.97Å; F894-L964 HydrophobicContact CB-CD1 4.33Å; F894-L964 HydrophobicContact CD2-CD1 3.77Å; F894-L964 HydrophobicContact CE2-CD1 4.24Å; F894-L964 HydrophobicContact CG-CD1 3.98Å; F894-H967 HydrophobicContact CE2-CB 3.63Å; F894-H967 AromaticContact CE2-CE1 3.98Å; F894-H967 AromaticContact CE2-CG 3.62Å; F894-H967 AromaticContact CE2-ND1 3.85Å; F894-H967 HydrophobicContact CZ-CB 3.89Å
895A82.2Confident76Confident53 Ų5344.8 Ų44.844%0.43823%0.233SC..Hα-helixtrans-63.9-45.9175.900000112.2R891 Q892 L893 R897 L898 V899R891-A895 WeakPolarHBondContact O-CB 3.35Å; R891-A895 PolarHBondContact O-N 3.48Å; Q892-A895 PolarHBondContact O-N 3.37Å; L893-A895 VanDerWaalsContact C-N 3.35Å; L893-A895 PolarHBondContact O-N 2.91Å; A895-R897 PolarHBondContact O-N 3.49Å; A895-L898 WeakPolarHBondContact O-CB 3.31Å; A895-L898 PolarHBondContact O-N 3.4Å; A895-L898 VanDerWaalsContact O-N 3.16Å; A895-V899 PolarHBondContact O-N 3.38Å; A895-V899 VanDerWaalsContact O-N 3.1Å
896K84Confident76Confident50 Ų5045.4 Ų45.422%0.21725%0.25CC..Hα-helixtrans-62.4-43.2176-71-168.3-179.8-167.70112.4L812 H813 L814 L815 Y848 Q892 L893 L898 V899 L900L812-K896 WeakPolarHBondContact O-CD 3.4Å; L812-K896 WeakPolarHBondContact O-CE 3.39Å; L812-K896 PolarHBondContact O-NZ 3.16Å; H813-K896 VanDerWaalsContact O-CE 3.28Å; H813-K896 WeakPolarHBondContact O-CE 3.45Å; H813-K896 PolarHBondContact O-NZ 3.5Å; L814-K896 PolarHBondContact O-NZ 2.74Å; L814-K896 VanDerWaalsContact O-NZ 3.12Å; L815-K896 PolarHBondContact O-NZ 2.81Å; Y848-K896 HydrophobicContact CD1-CB 4.49Å; Y848-K896 HydrophobicContact CE1-CB 3.69Å; Y848-K896 HydrophobicContact CE1-CD 4.3Å; Q892-K896 PolarHBondContact O-N 2.98Å; L893-K896 PolarHBondContact O-N 3.46Å; K896-L898 VanDerWaalsContact C-N 3.27Å; K896-L898 PolarHBondContact O-N 2.93Å; K896-V899 WeakPolarHBondContact O-CB 3.33Å; K896-V899 PolarHBondContact O-N 3.27Å; K896-L900 PolarHBondContact O-N 2.84Å
897R83.7Confident75.5Confident8 Ų849.8 Ų49.83%0.0327%0.268CS..Hα-helixtrans-55.2-42.1172.1-175.3-162.2168.9-70.7-8.7112I845 Y848 D849 L893 F894 A895 L900 L901 G919I845-R897 HydrophobicContact CG2-CG 4.48Å; Y848-R897 HydrophobicContact CD1-CB 4.4Å; Y848-R897 HydrophobicContact CG-CB 4.35Å; D849-R897 IonicContact OD1-CZ 3.61Å; D849-R897 IonicContact OD1-NE 3.72Å; D849-R897 PolarHBondContact OD1-NE 3.11Å; D849-R897 IonicContact OD1-NH2 2.71Å; D849-R897 PolarHBondContact OD1-NH2 3.22Å; D849-R897 IonicContact OD2-NE 3.53Å; D849-R897 IonicContact OD2-NH2 3.55Å; L893-R897 WeakPolarHBondContact O-CB 3.43Å; L893-R897 PolarHBondContact O-N 3.26Å; L893-R897 VanDerWaalsContact O-N 3.07Å; F894-R897 PolarHBondContact O-N 3.49Å; A895-R897 PolarHBondContact O-N 3.49Å; R897-L900 PolarHBondContact O-N 2.82Å; R897-L901 PolarHBondContact O-N 2.66Å; R897-L901 VanDerWaalsContact O-N 3.09Å; R897-G919 PolarHBondContact NH2-O 3.02Å
898L80.4Confident74.4Confident69 Ų6953 Ų5336%0.36128%0.284SS..Hα-helixtrans-67.4-35.4178.8-17164.4000112.6F894 A895 K896 L901 N902F894-L898 WeakPolarHBondContact O-CB 3.27Å; F894-L898 PolarHBondContact O-N 2.91Å; A895-L898 WeakPolarHBondContact O-CB 3.31Å; A895-L898 PolarHBondContact O-N 3.4Å; A895-L898 VanDerWaalsContact O-N 3.16Å; K896-L898 VanDerWaalsContact C-N 3.27Å; K896-L898 PolarHBondContact O-N 2.93Å; L898-L901 HydrophobicContact CD1-CD2 4.5Å; L898-L901 PolarHBondContact O-N 3.1Å; L898-N902 WeakPolarHBondContact O-CB 3.26Å; L898-N902 VanDerWaalsContact O-CG 3.23Å; L898-N902 PolarHBondContact O-N 3.01Å; L898-N902 PolarHBondContact O-ND2 3.48Å
899V81.3Confident72.5Confident83 Ų8354 Ų5450%0.50331%0.31SS..Hα-helixtrans-61.1-44.1173.3173.70000111.2A895 K896 N902 L903A895-V899 PolarHBondContact O-N 3.38Å; A895-V899 VanDerWaalsContact O-N 3.1Å; K896-V899 WeakPolarHBondContact O-CB 3.33Å; K896-V899 PolarHBondContact O-N 3.27Å; V899-N902 PolarHBondContact O-N 3.08Å; V899-L903 PolarHBondContact O-N 2.78Å
900L79.9Confident70.4Confident7 Ų756.5 Ų56.54%0.03734%0.343CS..Hα-helixtrans-64.4-40.6176.3-66.1173.7000112.5L822 V841 L844 I845 Y848 K896 R897 N902 L903 L904L822-L900 HydrophobicContact CD1-CD2 4.03Å; V841-L900 HydrophobicContact CG1-CB 4.49Å; L844-L900 HydrophobicContact CB-CD1 4.49Å; L844-L900 HydrophobicContact CD2-CD1 3.68Å; L844-L900 HydrophobicContact CD2-CD2 4.04Å; L844-L900 HydrophobicContact CG-CD1 3.76Å; I845-L900 HydrophobicContact CD1-CB 4.08Å; I845-L900 HydrophobicContact CG1-CB 3.8Å; I845-L900 HydrophobicContact CG1-CD1 4.21Å; Y848-L900 HydrophobicContact CD2-CD1 3.66Å; Y848-L900 HydrophobicContact CE2-CD1 3.56Å; K896-L900 PolarHBondContact O-N 2.84Å; R897-L900 PolarHBondContact O-N 2.82Å; L900-N902 VanDerWaalsContact C-N 3.35Å; L900-L903 WeakPolarHBondContact O-CB 3.35Å; L900-L903 PolarHBondContact O-N 3.16Å; L900-L904 PolarHBondContact O-N 2.69Å
901L77.7Confident68.1Low33 Ų3362.9 Ų62.917%0.17337%0.372CS..Hα-helixtrans-65.5-38.3176.2-174.862.8000112R897 L898 L903 L904 N905R897-L901 PolarHBondContact O-N 2.66Å; R897-L901 VanDerWaalsContact O-N 3.09Å; L898-L901 HydrophobicContact CD1-CD2 4.5Å; L898-L901 PolarHBondContact O-N 3.1Å; L901-L903 VanDerWaalsContact C-N 3.34Å; L901-L904 PolarHBondContact O-N 2.73Å; L901-N905 PolarHBondContact O-N 3.1Å; L901-N905 PolarHBondContact O-ND2 3.32Å; L901-N905 VanDerWaalsContact O-ND2 3.15Å
902N75.6Confident65.8Low90 Ų9064.2 Ų64.248%0.48139%0.392SS..Hα-helixtrans-67.5-32.8176.1-72.5-17.5000112.5L898 V899 L900 L904 N905 G906L898-N902 WeakPolarHBondContact O-CB 3.26Å; L898-N902 VanDerWaalsContact O-CG 3.23Å; L898-N902 PolarHBondContact O-N 3.01Å; L898-N902 PolarHBondContact O-ND2 3.48Å; V899-N902 PolarHBondContact O-N 3.08Å; L900-N902 VanDerWaalsContact C-N 3.35Å; N902-L904 VanDerWaalsContact C-N 3.34Å; N902-L904 PolarHBondContact O-N 2.86Å; N902-N905 PolarHBondContact O-N 3.48Å; N902-G906 PolarHBondContact O-N 3.03Å
903L75.4Confident63.3Low33 Ų3365.5 Ų65.517%0.17340%0.401CS..Hα-helixtrans-61.5-39.7175.2-173.365.3000112.2L822 F828 V899 L900 L901L822-L903 HydrophobicContact CB-CD2 4.5Å; F828-L903 HydrophobicContact CE2-CD1 4.15Å; F828-L903 HydrophobicContact CE2-CD2 3.81Å; F828-L903 HydrophobicContact CE2-CG 3.72Å; F828-L903 HydrophobicContact CZ-CD2 3.76Å; F828-L903 HydrophobicContact CZ-CG 4.08Å; V899-L903 PolarHBondContact O-N 2.78Å; L900-L903 WeakPolarHBondContact O-CB 3.35Å; L900-L903 PolarHBondContact O-N 3.16Å; L901-L903 VanDerWaalsContact C-N 3.34Å
904L71.5Confident60.6Low21 Ų2167.6 Ų67.611%0.1142%0.415CS..Hα-helixtrans-66.3-38.9174.7-67.5174.8000112.5F828 R838 V841 I845 L900 L901 N902 Y918F828-L904 HydrophobicContact CD1-CD2 4.38Å; R838-L904 HydrophobicContact CG-CD2 4.38Å; V841-L904 HydrophobicContact CB-CD2 4.21Å; V841-L904 HydrophobicContact CG1-CD1 3.94Å; V841-L904 HydrophobicContact CG1-CD2 3.93Å; V841-L904 HydrophobicContact CG1-CG 3.85Å; I845-L904 HydrophobicContact CD1-CD1 3.85Å; L900-L904 PolarHBondContact O-N 2.69Å; L901-L904 PolarHBondContact O-N 2.73Å; N902-L904 VanDerWaalsContact C-N 3.34Å; N902-L904 PolarHBondContact O-N 2.86Å; L904-Y918 HydrophobicContact CD1-CD1 4.22Å
905N67.3Low58Low97 Ų9770.4 Ų70.452%0.51944%0.438SS..Hα-helixtrans-77-35.8-177.7-69.7-40.3000113.1L901 N902 K907 H908L901-N905 PolarHBondContact O-N 3.1Å; L901-N905 PolarHBondContact O-ND2 3.32Å; L901-N905 VanDerWaalsContact O-ND2 3.15Å; N902-N905 PolarHBondContact O-N 3.48Å; N905-K907 VanDerWaalsContact C-N 3.29Å; N905-K907 PolarHBondContact O-N 3Å; N905-H908 PolarHBondContact O-N 3.47Å
906G56.4Low56.1Low68 Ų6874.4 Ų74.470%0.70145%0.447SS*.THydrogen-bonded Turntrans-67.5-17.8-167.800000116.3N902N902-G906 PolarHBondContact O-N 3.03Å
907K53.1Low54.4Low95 Ų9576 Ų7641%0.41346%0.458SS..THydrogen-bonded Turntrans-109.519.5-178.8-66.7-168.4-177.2-178.90114.3T824 E825 T826 F828 N905T824-K907 VanDerWaalsContact O-CE 3.26Å; T824-K907 WeakPolarHBondContact O-CE 3.36Å; T824-K907 PolarHBondContact O-NZ 3.34Å; E825-K907 PolarHBondContact O-NZ 3.22Å; T826-K907 PolarHBondContact O-NZ 3.15Å; F828-K907 HydrophobicContact CD2-CD 4.4Å; N905-K907 VanDerWaalsContact C-N 3.29Å; N905-K907 PolarHBondContact O-N 3Å
908H45.5Very low52.5Low93 Ų9379.3 Ų79.343%0.43147%0.471SS..  trans-120.776.4-178.4-92.426000114.6R838 N905R838-H908 PolarHBondContact NH2-CE1 3.33Å; R838-H908 PolarHBondContact NH2-NE2 3.38Å; N905-H908 PolarHBondContact O-N 3.47Å
909G31.1Very low51Low84 Ų8476.2 Ų76.287%0.86646%0.456SS*.  trans-69.5132.9159.200000111.4
910G29Very low49.7Very low77 Ų7773.1 Ų73.179%0.79444%0.436SS*.SBendtrans101.1-5.7157.400000119
911H30.4Very low48.4Very low144 Ų14473.1 Ų73.167%0.66744%0.436SS*.  trans-153.997.3164.3-129.7-82.6000113.6I913H911-I913 PolarHBondContact O-N 3.48Å
912V28.6Very low47.3Very low137 Ų13773.3 Ų73.383%0.8344%0.44SS*.  trans-72.597.3168.81790000108.2S914V912-S914 PolarHBondContact O-N 2.99Å
913I29.3Very low46.2Very low110 Ų11069 Ų6956%0.56442%0.418SS*.  trans-69.199.7166.1-61.5177.1000106.6H911 S915H911-I913 PolarHBondContact O-N 3.48Å; I913-S915 PolarHBondContact O-N 3.21Å
914S27.1Very low44.8Very low45 Ų4569.5 Ų69.532%0.31542%0.42SS..  trans-57.4135.4178.157.70000111.3V912V912-S914 PolarHBondContact O-N 2.99Å
915S29Very low43.6Very low81 Ų8170.2 Ų70.257%0.56643%0.427SS*.  trans53.768.416364.10000116I913I913-S915 PolarHBondContact O-N 3.21Å
916Q41.9Very low42.7Very low137 Ų13771.7 Ų71.764%0.6443%0.425SS*.  trans-121.7139.9144.2-72.4-169.8-28.300108.5Y918Q916-Y918 HydrophobicContact CB-CE2 4.39Å; Q916-Y918 WeakPolarHBondContact O-CD2 3.42Å; Q916-Y918 PolarHBondContact O-N 3Å; Q916-Y918 VanDerWaalsContact O-N 3.14Å
917N48.4Very low42.2Very low85 Ų8573.8 Ų73.846%0.45542%0.416SS..  trans-82.891.8-172.9-71.1-29.9000110.6G919 N974N917-G919 PolarHBondContact O-N 2.98Å; N917-N974 PolarHBondContact ND2-OD1 2.79Å
918Y44.4Very low41.8Very low77 Ų7772.6 Ų72.630%0.30243%0.431SS..SBendtrans-69.295.8174.2-67.7-91.9000110.5H842 L904 Q916H842-Y918 AromaticContact CE1-CD1 3.36Å; H842-Y918 WeakPolarHBondContact CE1-CD1 3.49Å; H842-Y918 AromaticContact CE1-CE1 3.9Å; H842-Y918 AromaticContact NE2-CD1 3.59Å; H842-Y918 AromaticContact NE2-CE1 3.73Å; L904-Y918 HydrophobicContact CD1-CD1 4.22Å; Q916-Y918 HydrophobicContact CB-CE2 4.39Å; Q916-Y918 WeakPolarHBondContact O-CD2 3.42Å; Q916-Y918 PolarHBondContact O-N 3Å; Q916-Y918 VanDerWaalsContact O-N 3.14Å
919G49Very low41.9Very low3 Ų371.5 Ų71.53%0.03143%0.433CS..SBendtrans83.472.7178.200000113.3D849 R897 N917D849-G919 WeakPolarHBondContact OD2-CA 3.36Å; D849-G919 VanDerWaalsContact OD2-O 3.13Å; R897-G919 PolarHBondContact NH2-O 3.02Å; N917-G919 PolarHBondContact O-N 2.98Å
920I53.9Low43.1Very low19 Ų1971 Ų7110%0.09741%0.411CS..  trans-137.5123.9149.3-68.3168.1000104.4S922 T971 N974I920-S922 PolarHBondContact O-N 3.31Å; I920-T971 HydrophobicContact CG2-CG2 3.89Å; I920-N974 HydrophobicContact CD1-CB 4.01Å; I920-N974 WeakPolarHBondContact CD1-ND2 3.38Å
921L52.7Low44.5Very low7 Ų768.1 Ų68.14%0.03738%0.379CS..  trans-63.1107.3171.2-93.3165000109.5W733 N846 D849 A850 R975W733-L921 HydrophobicContact CB-CD1 3.95Å; W733-L921 HydrophobicContact CG-CB 4.37Å; W733-L921 HydrophobicContact CG-CD1 3.88Å; N846-L921 HydrophobicContact CB-CD1 4.22Å; N846-L921 HydrophobicContact CB-CD2 4.13Å; N846-L921 HydrophobicContact CB-CG 4.01Å; N846-L921 WeakPolarHBondContact O-CD1 3.38Å; D849-L921 HydrophobicContact CB-CD1 4.33Å; A850-L921 HydrophobicContact CB-CD1 3.64Å; L921-R975 PolarHBondContact O-NH2 3.29Å
922S52.9Low46.2Very low36 Ų3663.6 Ų63.625%0.25236%0.356SS..  trans-118.2132.5177.154.50000107.8I920 L924 Q978I920-S922 PolarHBondContact O-N 3.31Å; S922-L924 PolarHBondContact O-N 3Å; S922-Q978 VanDerWaalsContact CB-NE2 3.29Å; S922-Q978 VanDerWaalsContact CB-OE1 3.32Å
923P52.8Low48.1Very low1 Ų157.3 Ų57.31%0.00632%0.318CS..SBendtrans-80.140.1-178.336.2-38.7000111.8W642 W733 R932 L935 L936W642-P923 HydrophobicContact CE3-CB 4.48Å; W642-P923 HydrophobicContact CZ3-CB 4.37Å; W733-P923 HydrophobicContact CH2-CB 4.14Å; W733-P923 HydrophobicContact CH2-CG 4.12Å; W733-P923 HydrophobicContact CZ3-CB 4.22Å; P923-R932 HydrophobicContact CB-CB 4.31Å; P923-R932 PolarHBondContact O-N 3.19Å; P923-L935 HydrophobicContact CB-CB 3.59Å; P923-L935 HydrophobicContact CB-CD1 3.72Å; P923-L935 HydrophobicContact CB-CG 4.34Å; P923-L935 HydrophobicContact CG-CB 3.76Å; P923-L936 HydrophobicContact CG-CD2 3.64Å; P923-L936 HydrophobicContact CG-CG 3.76Å
924L46.4Very low50Low42 Ų4252.3 Ų52.322%0.2229%0.293CS..BIsolated β-bridgetrans-98.4140.6166.2-80.473.5000107.4S922 Q978S922-L924 PolarHBondContact O-N 3Å; L924-Q978 HydrophobicContact CD1-CB 4.18Å; L924-Q978 HydrophobicContact CD1-CG 3.99Å
925S46.8Very low52.3Low37 Ų3750.1 Ų50.126%0.25928%0.278SS..  trans-65.4154.6166114.10000109.9H927S925-H927 CarbonylContact O-C 3.55Å; S925-H927 VanDerWaalsContact O-C 3.3Å; S925-H927 PolarHBondContact O-N 2.88Å; S925-H927 VanDerWaalsContact O-N 3.14Å; S925-H927 WeakPolarHBondContact OG-CA 3.16Å; S925-H927 WeakPolarHBondContact OG-CB 3.14Å; S925-H927 PolarHBondContact OG-N 2.97Å; S925-H927 PolarHBondContact OG-O 3.47Å
926R47.6Very low54.5Low128 Ų12846.3 Ų46.348%0.48325%0.251SS..SBendtrans-56.1-28.5173.6-76.2176.6149-132.6-8.3112.7E633 R724 D839 G928E633-R926 WeakPolarHBondContact OE1-CD 3.3Å; E633-R926 IonicContact OE1-CZ 3.45Å; E633-R926 IonicContact OE1-NE 2.67Å; E633-R926 IonicContact OE1-NH1 3.6Å; E633-R926 PolarHBondContact OE1-NH1 3.22Å; E633-R926 VanDerWaalsContact OE1-NH1 3.16Å; E633-R926 WeakPolarHBondContact OE2-CB 3.46Å; E633-R926 WeakPolarHBondContact OE2-CD 3.35Å; R724-R926 VanDerWaalsContact NH2-CZ 3.29Å; D839-R926 VanDerWaalsContact CG-NH1 3.33Å; D839-R926 VanDerWaalsContact CG-NH2 3.32Å; D839-R926 IonicContact OD1-CZ 3.59Å; D839-R926 IonicContact OD1-NH1 3.47Å; D839-R926 PolarHBondContact OD1-NH1 3.02Å; D839-R926 VanDerWaalsContact OD1-NH1 3.11Å; D839-R926 IonicContact OD1-NH2 3.72Å; D839-R926 PolarHBondContact OD1-NH2 3.26Å; D839-R926 IonicContact OD2-CZ 3.46Å; D839-R926 IonicContact OD2-NH1 2.7Å; D839-R926 PolarHBondContact OD2-NH1 3.37Å; D839-R926 IonicContact OD2-NH2 3.89Å; D839-R926 PolarHBondContact OD2-NH2 3.48Å; R926-G928 PolarHBondContact O-N 3.01Å
927H45.7Very low56.2Low112 Ų11240.4 Ų40.452%0.51922%0.224SC..SBendtrans-8096.3161.9-57.6-70.9000108.8S925 S929S925-H927 CarbonylContact O-C 3.55Å; S925-H927 VanDerWaalsContact O-C 3.3Å; S925-H927 PolarHBondContact O-N 2.88Å; S925-H927 VanDerWaalsContact O-N 3.14Å; S925-H927 WeakPolarHBondContact OG-CA 3.16Å; S925-H927 WeakPolarHBondContact OG-CB 3.14Å; S925-H927 PolarHBondContact OG-N 2.97Å; S925-H927 PolarHBondContact OG-O 3.47Å; H927-S929 PolarHBondContact O-N 3.17Å
928G44.5Very low57.6Low69 Ų6937.2 Ų37.271%0.71121%0.207SC*.THydrogen-bonded Turntrans-76.379.2-171.400000114.4R926R926-G928 PolarHBondContact O-N 3.01Å
929S49.1Very low59.2Low70 Ų7033.5 Ų33.549%0.4919%0.192SC..THydrogen-bonded Turntrans-123.3-41.8166.760.20000113H927H927-S929 PolarHBondContact O-N 3.17Å
930D55.5Low60.8Low75 Ų7533.4 Ų33.440%0.40119%0.191SC..  trans-111.3106.4-169.8-56.5-22.1000111.8
931S57.9Low62.1Low16 Ų1633.3 Ų33.311%0.11219%0.191CC..BIsolated β-bridgetrans-90.7122.3172.349.50000111.5C933 C982S931-C933 PolarHBondContact O-N 3.37Å; S931-C933 VanDerWaalsContact O-N 3.07Å; S931-C982 WeakPolarHBondContact OG-CA 3.4Å; S931-C982 PolarHBondContact OG-SG 3.43Å
932R67.5Low63.3Low48 Ų4833 Ų3318%0.18119%0.19CC..  trans-8486.6-173.7-66173.1170.1-108.45.9111.9N639 W642 P923 G934 L935 L936N639-R932 VanDerWaalsContact CA-NH2 3.31Å; N639-R932 PolarHBondContact O-NH2 2.96Å; N639-R932 VanDerWaalsContact O-NH2 3.13Å; N639-R932 PolarHBondContact OD1-NH2 3.48Å; W642-R932 VanDerWaalsContact CB-CZ 3.4Å; P923-R932 HydrophobicContact CB-CB 4.31Å; P923-R932 PolarHBondContact O-N 3.19Å; R932-G934 VanDerWaalsContact C-N 3.29Å; R932-G934 PolarHBondContact O-N 3.38Å; R932-G934 VanDerWaalsContact O-N 3.14Å; R932-L935 HydrophobicContact CB-CB 4.28Å; R932-L935 HydrophobicContact CB-CD1 3.97Å; R932-L935 HydrophobicContact CB-CG 4.29Å; R932-L935 WeakPolarHBondContact O-CB 3.32Å; R932-L935 PolarHBondContact O-N 3.38Å; R932-L936 PolarHBondContact O-N 3.21Å
933C68.2Low64.5Low6 Ų631.5 Ų31.54%0.04118%0.179CC..Hα-helixtrans-48.2-41-176.1-660000115.3S931 L935 L936 I937 F979 C982 Y991S931-C933 PolarHBondContact O-N 3.37Å; S931-C933 VanDerWaalsContact O-N 3.07Å; C933-L935 VanDerWaalsContact C-N 3.32Å; C933-L935 PolarHBondContact O-N 2.91Å; C933-L936 PolarHBondContact O-N 2.81Å; C933-I937 WeakPolarHBondContact O-CG1 3.44Å; C933-I937 PolarHBondContact O-N 3.4Å; C933-F979 HydrophobicContact CB-CE1 4.02Å; C933-C982 PolarHBondContact SG-SG 2.61Å; C933-Y991 HydrophobicContact CB-CD2 3.64Å; C933-Y991 HydrophobicContact CB-CE2 4.27Å; C933-Y991 HydrophobicContact CB-CG 4.02Å
934G69Low65.6Low4 Ų433.1 Ų33.14%0.04119%0.19CC..Hα-helixtrans-62.9-37.3177.900000113.4R932 M938R932-G934 VanDerWaalsContact C-N 3.29Å; R932-G934 PolarHBondContact O-N 3.38Å; R932-G934 VanDerWaalsContact O-N 3.14Å; G934-M938 WeakPolarHBondContact O-CG 3.43Å; G934-M938 PolarHBondContact O-N 2.92Å
935L74.6Confident66.8Low0 Ų034.7 Ų34.70%020%0.196CC..Hα-helixtrans-75.8-35.3174.6-63.9176.5000112W642 C645 E646 W733 L737 P923 R932 C933 I937 M938 S939W642-L935 HydrophobicContact CB-CD1 3.89Å; W642-L935 HydrophobicContact CD2-CD1 4.01Å; W642-L935 HydrophobicContact CE3-CD1 3.45Å; W642-L935 VanDerWaalsContact CE3-CD1 3.45Å; W642-L935 HydrophobicContact CG-CD1 4.24Å; W642-L935 HydrophobicContact CZ3-CD1 4.25Å; C645-L935 HydrophobicContact CB-CD2 4.01Å; E646-L935 HydrophobicContact CB-CD2 4.3Å; E646-L935 HydrophobicContact CB-CG 4.45Å; E646-L935 HydrophobicContact CG-CG 4.39Å; W733-L935 HydrophobicContact CZ3-CB 4.32Å; L737-L935 HydrophobicContact CD1-CD2 4.46Å; P923-L935 HydrophobicContact CB-CB 3.59Å; P923-L935 HydrophobicContact CB-CD1 3.72Å; P923-L935 HydrophobicContact CB-CG 4.34Å; P923-L935 HydrophobicContact CG-CB 3.76Å; R932-L935 HydrophobicContact CB-CB 4.28Å; R932-L935 HydrophobicContact CB-CD1 3.97Å; R932-L935 HydrophobicContact CB-CG 4.29Å; R932-L935 WeakPolarHBondContact O-CB 3.32Å; R932-L935 PolarHBondContact O-N 3.38Å; C933-L935 VanDerWaalsContact C-N 3.32Å; C933-L935 PolarHBondContact O-N 2.91Å; L935-I937 VanDerWaalsContact C-N 3.32Å; L935-I937 PolarHBondContact O-N 3.38Å; L935-M938 PolarHBondContact O-N 3.19Å; L935-S939 VanDerWaalsContact O-CB 3.24Å; L935-S939 WeakPolarHBondContact O-CB 3.3Å; L935-S939 PolarHBondContact O-N 3.21Å; L935-S939 PolarHBondContact O-OG 3.46Å
936L75.6Confident67.8Low0 Ų033 Ų330%019%0.185CC..Hα-helixtrans-59.2-44.4172.3-72.4173.6000110.9P923 R932 C933 S939 L940 R975 Q978 F979P923-L936 HydrophobicContact CG-CD2 3.64Å; P923-L936 HydrophobicContact CG-CG 3.76Å; R932-L936 PolarHBondContact O-N 3.21Å; C933-L936 PolarHBondContact O-N 2.81Å; L936-S939 WeakPolarHBondContact CA-OG 3.48Å; L936-S939 CarbonylContact O-C 3.49Å; L936-S939 PolarHBondContact O-N 2.86Å; L936-S939 PolarHBondContact O-OG 3.16Å; L936-L940 WeakPolarHBondContact O-CG 3.49Å; L936-L940 PolarHBondContact O-N 2.93Å; L936-R975 HydrophobicContact CD2-CG 4.47Å; L936-Q978 HydrophobicContact CD1-CB 4.13Å; L936-Q978 HydrophobicContact CD2-CB 4.21Å; L936-F979 HydrophobicContact CB-CE1 3.96Å; L936-F979 HydrophobicContact CB-CE2 3.65Å; L936-F979 HydrophobicContact CB-CZ 3.31Å; L936-F979 HydrophobicContact CD1-CD1 4.13Å; L936-F979 HydrophobicContact CD1-CD2 4.14Å; L936-F979 HydrophobicContact CD1-CE1 4.04Å; L936-F979 HydrophobicContact CD1-CE2 4.05Å; L936-F979 HydrophobicContact CD1-CG 4.19Å; L936-F979 HydrophobicContact CD1-CZ 4.01Å; L936-F979 HydrophobicContact CG-CE2 4.4Å; L936-F979 HydrophobicContact CG-CZ 4.29Å
937I77.2Confident68.8Low13 Ų1330.6 Ų30.67%0.06718%0.182CC..Hα-helixtrans-64.2-49.5175.2-67176.8000111C933 L935 S939 L940 V941 F979 Y991 A994 L995 E998C933-I937 WeakPolarHBondContact O-CG1 3.44Å; C933-I937 PolarHBondContact O-N 3.4Å; L935-I937 VanDerWaalsContact C-N 3.32Å; L935-I937 PolarHBondContact O-N 3.38Å; I937-S939 PolarHBondContact O-N 3.45Å; I937-S939 VanDerWaalsContact O-N 3.16Å; I937-L940 CarbonylContact O-C 3.56Å; I937-L940 WeakPolarHBondContact O-CA 3.21Å; I937-L940 WeakPolarHBondContact O-CB 3.23Å; I937-L940 PolarHBondContact O-N 2.8Å; I937-V941 HydrophobicContact CG2-CG2 4.35Å; I937-V941 WeakPolarHBondContact O-CG2 3.44Å; I937-V941 PolarHBondContact O-N 3.12Å; I937-F979 HydrophobicContact CG1-CE1 4.31Å; I937-F979 HydrophobicContact CG1-CZ 3.86Å; I937-Y991 HydrophobicContact CD1-CD1 3.97Å; I937-Y991 HydrophobicContact CD1-CG 4.21Å; I937-Y991 WeakPolarHBondContact CD1-O 3.38Å; I937-A994 HydrophobicContact CD1-CB 4.02Å; I937-A994 HydrophobicContact CG2-CB 4.33Å; I937-L995 HydrophobicContact CD1-CB 3.92Å; I937-L995 HydrophobicContact CG1-CB 4.27Å; I937-L995 HydrophobicContact CG1-CD1 4.3Å; I937-E998 HydrophobicContact CG2-CG 4.24Å
938M77.3Confident70.4Confident18 Ų1825.6 Ų25.69%0.08916%0.158CC..Hα-helixtrans-57.4-31.7175.3-73.8-59-58.800112.6T649 L737 T740 L741 G934 L935 L940 S942T649-M938 HydrophobicContact CG2-CG 3.65Å; T649-M938 HydrophobicContact CG2-SD 3.83Å; L737-M938 HydrophobicContact CD1-CB 3.85Å; L737-M938 HydrophobicContact CD2-CB 4.43Å; L737-M938 WeakPolarHBondContact CD2-O 3.4Å; L737-M938 WeakPolarHBondContact O-CE 3.42Å; T740-M938 WeakPolarHBondContact OG1-CE 3.23Å; L741-M938 HydrophobicContact CD2-CE 3.49Å; L741-M938 VanDerWaalsContact CD2-CE 3.49Å; L741-M938 HydrophobicContact CD2-SD 3.94Å; L741-M938 HydrophobicContact CG-CE 3.88Å; G934-M938 WeakPolarHBondContact O-CG 3.43Å; G934-M938 PolarHBondContact O-N 2.92Å; L935-M938 PolarHBondContact O-N 3.19Å; M938-L940 VanDerWaalsContact C-N 3.33Å; M938-S942 VanDerWaalsContact O-CB 3.27Å; M938-S942 WeakPolarHBondContact O-CB 3.25Å; M938-S942 PolarHBondContact O-N 3.07Å
939S78.3Confident71.9Confident0 Ų026.2 Ų26.20%014%0.142CC..Hα-helixtrans-78.7-12.817582.80000114.5W733 L935 L936 I937 L943 R975W733-S939 VanDerWaalsContact CZ2-CB 3.42Å; L935-S939 VanDerWaalsContact O-CB 3.24Å; L935-S939 WeakPolarHBondContact O-CB 3.3Å; L935-S939 PolarHBondContact O-N 3.21Å; L935-S939 PolarHBondContact O-OG 3.46Å; L936-S939 WeakPolarHBondContact CA-OG 3.48Å; L936-S939 CarbonylContact O-C 3.49Å; L936-S939 PolarHBondContact O-N 2.86Å; L936-S939 PolarHBondContact O-OG 3.16Å; I937-S939 PolarHBondContact O-N 3.45Å; I937-S939 VanDerWaalsContact O-N 3.16Å; S939-L943 WeakPolarHBondContact O-CG 3.25Å; S939-R975 PolarHBondContact O-NH1 3.27Å; S939-R975 WeakPolarHBondContact OG-CD 3.28Å; S939-R975 PolarHBondContact OG-NE 3.2Å
940L82.5Confident73Confident0 Ų024 Ų240%013%0.126CC..Hα-helixtrans-88.2-41.5166.1-69.4172.7000110.5L936 I937 M938 S942 L943 S944 I972 R975 L976 F979 L995 E998 I1002L936-L940 WeakPolarHBondContact O-CG 3.49Å; L936-L940 PolarHBondContact O-N 2.93Å; I937-L940 CarbonylContact O-C 3.56Å; I937-L940 WeakPolarHBondContact O-CA 3.21Å; I937-L940 WeakPolarHBondContact O-CB 3.23Å; I937-L940 PolarHBondContact O-N 2.8Å; M938-L940 VanDerWaalsContact C-N 3.33Å; L940-S942 PolarHBondContact O-N 3.43Å; L940-L943 CarbonylContact O-C 3.6Å; L940-L943 WeakPolarHBondContact O-CA 3.4Å; L940-L943 PolarHBondContact O-N 3.32Å; L940-S944 PolarHBondContact O-N 3.04Å; L940-S944 PolarHBondContact O-OG 3.36Å; L940-I972 HydrophobicContact CD2-CG2 4.22Å; L940-R975 HydrophobicContact CD2-CB 4.16Å; L940-L976 HydrophobicContact CD1-CD2 3.93Å; L940-F979 HydrophobicContact CD1-CE2 4.03Å; L940-L995 HydrophobicContact CD1-CD1 3.68Å; L940-E998 HydrophobicContact CB-CB 4.42Å; L940-I1002 HydrophobicContact CB-CD1 4.19Å; L940-I1002 HydrophobicContact CD2-CD1 4.14Å
941V81.7Confident74.1Confident18 Ų1820.7 Ų20.711%0.10911%0.108CC..Hα-helixtrans-52.8-44.9167.2-179.40000110.2I937 L943 S944 Q945 E998I937-V941 HydrophobicContact CG2-CG2 4.35Å; I937-V941 WeakPolarHBondContact O-CG2 3.44Å; I937-V941 PolarHBondContact O-N 3.12Å; V941-L943 PolarHBondContact O-N 3.36Å; V941-S944 WeakPolarHBondContact CA-OG 3.44Å; V941-S944 PolarHBondContact O-N 3.14Å; V941-S944 PolarHBondContact O-OG 3.37Å; V941-S944 VanDerWaalsContact O-OG 3.06Å; V941-Q945 HydrophobicContact CG1-CG 4.28Å; V941-Q945 WeakPolarHBondContact O-CB 3.43Å; V941-Q945 VanDerWaalsContact O-CG 3.31Å; V941-Q945 WeakPolarHBondContact O-CG 3.48Å; V941-Q945 PolarHBondContact O-N 3.26Å; V941-E998 WeakPolarHBondContact CA-OE2 3.21Å; V941-E998 VanDerWaalsContact CG2-CD 3.43Å; V941-E998 HydrophobicContact CG2-CG 3.7Å
942S77.8Confident75.1Confident0 Ų020 Ų200%010%0.103CC..Hα-helixtrans-56.3-32.4175.2-178.70000113.1E853 K857 M938 L940 A946E853-S942 PolarHBondContact OE2-OG 3.06Å; E853-S942 VanDerWaalsContact OE2-OG 3.09Å; K857-S942 WeakPolarHBondContact CE-O 3.36Å; K857-S942 PolarHBondContact NZ-O 2.62Å; K857-S942 PolarHBondContact NZ-OG 3.13Å; M938-S942 VanDerWaalsContact O-CB 3.27Å; M938-S942 WeakPolarHBondContact O-CB 3.25Å; M938-S942 PolarHBondContact O-N 3.07Å; L940-S942 PolarHBondContact O-N 3.43Å; S942-A946 WeakPolarHBondContact O-CB 3.4Å
943L78.5Confident75.6Confident4 Ų418 Ų182%0.02110%0.096CC..Hα-helixtrans-98.5-23.2-177.5-68.5176.1000113.5E853 S939 L940 V941 T971 I972 R975E853-L943 HydrophobicContact CG-CD2 4.28Å; S939-L943 WeakPolarHBondContact O-CG 3.25Å; L940-L943 CarbonylContact O-C 3.6Å; L940-L943 WeakPolarHBondContact O-CA 3.4Å; L940-L943 PolarHBondContact O-N 3.32Å; V941-L943 PolarHBondContact O-N 3.36Å; L943-T971 HydrophobicContact CD1-CG2 3.86Å; L943-I972 HydrophobicContact CB-CG1 4.37Å; L943-I972 HydrophobicContact CD1-CG1 3.73Å; L943-R975 VanDerWaalsContact CD1-NH1 3.31Å
944S76.6Confident75.9Confident35 Ų3518.6 Ų18.625%0.24510%0.102CC..Hα-helixtrans-72.4-44.5171.460.40000110.4L940 V941 A946 E998L940-S944 PolarHBondContact O-N 3.04Å; L940-S944 PolarHBondContact O-OG 3.36Å; V941-S944 WeakPolarHBondContact CA-OG 3.44Å; V941-S944 PolarHBondContact O-N 3.14Å; V941-S944 PolarHBondContact O-OG 3.37Å; V941-S944 VanDerWaalsContact O-OG 3.06Å; S944-A946 VanDerWaalsContact C-N 3.3Å; S944-A946 PolarHBondContact O-N 3.23Å; S944-E998 PolarHBondContact OG-OE2 3.46Å
945Q71.7Confident76.4Confident75 Ų7518.5 Ų18.535%0.3510%0.101SC..THydrogen-bonded Turntrans-66.1-25.9171.7-68.8177.1-6.800113.8T740 K857 V941 N947T740-Q945 PolarHBondContact O-NE2 3.3Å; K857-Q945 HydrophobicContact CD-CB 4.49Å; V941-Q945 HydrophobicContact CG1-CG 4.28Å; V941-Q945 WeakPolarHBondContact O-CB 3.43Å; V941-Q945 VanDerWaalsContact O-CG 3.31Å; V941-Q945 WeakPolarHBondContact O-CG 3.48Å; V941-Q945 PolarHBondContact O-N 3.26Å; Q945-N947 PolarHBondContact O-N 3.1Å
946A66.6Low76.5Confident3 Ų320.4 Ų20.43%0.02511%0.11CC..THydrogen-bonded Turntrans-7955.9-176.300000113L856 K857 S942 S944 L948 I951L856-A946 HydrophobicContact CB-CB 4.01Å; L856-A946 CarbonylContact O-C 3.59Å; L856-A946 WeakPolarHBondContact O-CA 3.45Å; L856-A946 WeakPolarHBondContact O-CB 3.36Å; K857-A946 HydrophobicContact CG-CB 4.08Å; S942-A946 WeakPolarHBondContact O-CB 3.4Å; S944-A946 VanDerWaalsContact C-N 3.3Å; S944-A946 PolarHBondContact O-N 3.23Å; A946-L948 PolarHBondContact O-N 3.16Å; A946-I951 VanDerWaalsContact O-CD1 3.27Å; A946-I951 WeakPolarHBondContact O-CD1 3.22Å
947N68.7Low76.4Confident77 Ų7726.1 Ų26.141%0.41214%0.135SC..THydrogen-bonded Turntrans48.334.2167.4-96.2-30.5000115.3Q945 K949 S950 I951Q945-N947 PolarHBondContact O-N 3.1Å; N947-K949 PolarHBondContact O-N 2.84Å; N947-K949 VanDerWaalsContact O-N 3.12Å; N947-S950 PolarHBondContact O-N 3.47Å; N947-S950 PolarHBondContact O-OG 2.95Å; N947-S950 VanDerWaalsContact O-OG 3.07Å; N947-I951 PolarHBondContact O-N 3.2Å; N947-I951 VanDerWaalsContact O-N 3.08Å
948L79.1Confident76Confident6 Ų628 Ų283%0.03115%0.149CC..Hα-helixtrans-57.3-35-171.9-174.663.2000113A946 L952 V968 I972A946-L948 PolarHBondContact O-N 3.16Å; L948-L952 HydrophobicContact CD1-CD1 4.17Å; L948-L952 HydrophobicContact CD1-CG 4.24Å; L948-L952 HydrophobicContact CG-CD1 4.04Å; L948-L952 HydrophobicContact CG-CG 4.49Å; L948-L952 WeakPolarHBondContact O-CB 3.45Å; L948-L952 VanDerWaalsContact O-CG 3.27Å; L948-L952 WeakPolarHBondContact O-CG 3.5Å; L948-L952 PolarHBondContact O-N 3.41Å; L948-L952 VanDerWaalsContact O-N 3.1Å; L948-V968 HydrophobicContact CD1-CG1 3.85Å; L948-I972 HydrophobicContact CD1-CD1 4.21Å; L948-I972 HydrophobicContact CD2-CD1 3.99Å
949K76.4Confident75.7Confident83 Ų8333 Ų3336%0.36118%0.177SC..Hα-helixtrans-54.7-50.6172.3-173.2175.5177.8179.20110.6N947 I953 E1117N947-K949 PolarHBondContact O-N 2.84Å; N947-K949 VanDerWaalsContact O-N 3.12Å; K949-I953 HydrophobicContact CG-CD1 4.14Å; K949-I953 WeakPolarHBondContact O-CB 3.47Å; K949-I953 WeakPolarHBondContact O-CD1 3.38Å; K949-I953 VanDerWaalsContact O-CG1 3.24Å; K949-I953 WeakPolarHBondContact O-CG1 3.39Å; K949-I953 PolarHBondContact O-N 3.28Å; K949-I953 VanDerWaalsContact O-N 3.13Å; K949-E1117 IonicContact NZ-OE1 3.31Å; K949-E1117 PolarHBondContact NZ-OE1 2.96Å; K949-E1117 IonicContact NZ-OE2 3.29Å; K949-E1117 PolarHBondContact NZ-OE2 3.19Å
950S73.2Confident75.3Confident24 Ų2435.7 Ų35.717%0.16820%0.195CC..Hα-helixtrans-75.9-35.5-176.976.80000113.1N947 L952 I953 A954N947-S950 PolarHBondContact O-N 3.47Å; N947-S950 PolarHBondContact O-OG 2.95Å; N947-S950 VanDerWaalsContact O-OG 3.07Å; S950-L952 PolarHBondContact O-N 3.07Å; S950-I953 PolarHBondContact O-N 2.9Å; S950-A954 VanDerWaalsContact O-CB 3.24Å; S950-A954 WeakPolarHBondContact O-CB 3.19Å; S950-A954 PolarHBondContact O-N 3.27Å
951I77Confident75Confident4 Ų435.8 Ų35.82%0.02120%0.196CC..Hα-helixtrans-62.2-44.2175.4-61.6165.5000110.9L856 W887 A946 N947 A954 S955 A965L856-I951 HydrophobicContact CD2-CD1 3.84Å; W887-I951 HydrophobicContact CZ3-CG1 4.36Å; A946-I951 VanDerWaalsContact O-CD1 3.27Å; A946-I951 WeakPolarHBondContact O-CD1 3.22Å; N947-I951 PolarHBondContact O-N 3.2Å; N947-I951 VanDerWaalsContact O-N 3.08Å; I951-A954 PolarHBondContact O-N 3.48Å; I951-S955 PolarHBondContact O-N 2.98Å; I951-A965 HydrophobicContact CG2-CB 4.24Å
952L79.3Confident74.8Confident1 Ų136.3 Ų36.31%0.00520%0.198CC..Hα-helixtrans-66.9-42.8178.2-69175.5000111.4L948 S950 S955 I956 L969 C1005 V1006 F1009L948-L952 HydrophobicContact CD1-CD1 4.17Å; L948-L952 HydrophobicContact CD1-CG 4.24Å; L948-L952 HydrophobicContact CG-CD1 4.04Å; L948-L952 HydrophobicContact CG-CG 4.49Å; L948-L952 WeakPolarHBondContact O-CB 3.45Å; L948-L952 VanDerWaalsContact O-CG 3.27Å; L948-L952 WeakPolarHBondContact O-CG 3.5Å; L948-L952 PolarHBondContact O-N 3.41Å; L948-L952 VanDerWaalsContact O-N 3.1Å; S950-L952 PolarHBondContact O-N 3.07Å; L952-S955 CarbonylContact O-C 3.57Å; L952-S955 PolarHBondContact O-N 3.14Å; L952-S955 PolarHBondContact O-OG 3.29Å; L952-I956 PolarHBondContact O-N 3.48Å; L952-L969 HydrophobicContact CD2-CD1 3.95Å; L952-L969 HydrophobicContact CD2-CD2 4.31Å; L952-L969 HydrophobicContact CD2-CG 4.26Å; L952-C1005 HydrophobicContact CD1-CB 4.41Å; L952-V1006 HydrophobicContact CD1-CG2 4.44Å; L952-F1009 HydrophobicContact CB-CB 4.47Å; L952-F1009 HydrophobicContact CB-CD2 3.75Å; L952-F1009 HydrophobicContact CB-CE2 4.19Å; L952-F1009 HydrophobicContact CB-CG 4.19Å; L952-F1009 HydrophobicContact CD1-CB 4.15Å; L952-F1009 HydrophobicContact CD1-CG 4.31Å; L952-F1009 HydrophobicContact CD2-CD1 4.01Å; L952-F1009 HydrophobicContact CD2-CD2 4.04Å; L952-F1009 HydrophobicContact CD2-CE1 4.04Å; L952-F1009 HydrophobicContact CD2-CE2 4.06Å; L952-F1009 HydrophobicContact CD2-CG 4Å; L952-F1009 HydrophobicContact CD2-CZ 4.04Å; L952-F1009 HydrophobicContact CG-CD2 4.36Å; L952-F1009 HydrophobicContact CG-CG 4.39Å; L952-F1009 WeakPolarHBondContact O-CE2 3.29Å
953I78.3Confident74.8Confident6 Ų639.8 Ų39.83%0.03122%0.221CC..Hα-helixtrans-64.3-38.8174.1-69.3166.3000111.7K949 S950 S955 I956 K957 Y1101K949-I953 HydrophobicContact CG-CD1 4.14Å; K949-I953 WeakPolarHBondContact O-CB 3.47Å; K949-I953 WeakPolarHBondContact O-CD1 3.38Å; K949-I953 VanDerWaalsContact O-CG1 3.24Å; K949-I953 WeakPolarHBondContact O-CG1 3.39Å; K949-I953 PolarHBondContact O-N 3.28Å; K949-I953 VanDerWaalsContact O-N 3.13Å; S950-I953 PolarHBondContact O-N 2.9Å; I953-S955 VanDerWaalsContact C-N 3.29Å; I953-S955 PolarHBondContact O-N 3.21Å; I953-I956 WeakPolarHBondContact O-CA 3.43Å; I953-I956 WeakPolarHBondContact O-CB 3.38Å; I953-I956 PolarHBondContact O-N 3.41Å; I953-K957 HydrophobicContact CG2-CD 4.26Å; I953-K957 PolarHBondContact O-N 3.48Å; I953-Y1101 HydrophobicContact CD1-CE1 4.22Å; I953-Y1101 HydrophobicContact CG1-CE1 4.14Å
954A75.1Confident74.9Confident20 Ų2039.9 Ų39.917%0.16522%0.221CC..Hα-helixtrans-63.5-34.5174.300000111.8W887 S950 I951 I956 K957 S958 V961W887-A954 HydrophobicContact CH2-CB 4.35Å; W887-A954 HydrophobicContact CZ2-CB 4.17Å; S950-A954 VanDerWaalsContact O-CB 3.24Å; S950-A954 WeakPolarHBondContact O-CB 3.19Å; S950-A954 PolarHBondContact O-N 3.27Å; I951-A954 PolarHBondContact O-N 3.48Å; A954-I956 PolarHBondContact O-N 3.38Å; A954-K957 PolarHBondContact O-N 3.15Å; A954-K957 VanDerWaalsContact O-N 3.15Å; A954-S958 PolarHBondContact O-N 3.13Å; A954-V961 HydrophobicContact CB-CG1 4.05Å; A954-V961 HydrophobicContact CB-CG2 4.31Å
955S78.3Confident75.2Confident2 Ų238.2 Ų38.21%0.01421%0.21CC..Hα-helixtrans-76.4-2.3171.882.90000115.2I951 L952 I953 N962 F1009 K1013I951-S955 PolarHBondContact O-N 2.98Å; L952-S955 CarbonylContact O-C 3.57Å; L952-S955 PolarHBondContact O-N 3.14Å; L952-S955 PolarHBondContact O-OG 3.29Å; I953-S955 VanDerWaalsContact C-N 3.29Å; I953-S955 PolarHBondContact O-N 3.21Å; S955-N962 PolarHBondContact O-OD1 2.78Å; S955-F1009 VanDerWaalsContact OG-CE2 3.24Å; S955-F1009 WeakPolarHBondContact OG-CE2 3.41Å; S955-K1013 PolarHBondContact O-NZ 2.89Å
956I76.9Confident75.7Confident39 Ų3935.2 Ų35.220%0.220%0.197CC..Hα-helixtrans-91-37.2162.8-69.2166.1000109.9L952 I953 A954 F1009 Y1012 Y1101L952-I956 PolarHBondContact O-N 3.48Å; I953-I956 WeakPolarHBondContact O-CA 3.43Å; I953-I956 WeakPolarHBondContact O-CB 3.38Å; I953-I956 PolarHBondContact O-N 3.41Å; A954-I956 PolarHBondContact O-N 3.38Å; I956-F1009 HydrophobicContact CD1-CD2 4.05Å; I956-F1009 HydrophobicContact CD1-CE2 4.37Å; I956-F1009 HydrophobicContact CG1-CD2 4.26Å; I956-F1009 HydrophobicContact CG1-CE2 4.07Å; I956-Y1012 HydrophobicContact CB-CE1 4.3Å; I956-Y1012 HydrophobicContact CD1-CD1 3.61Å; I956-Y1012 HydrophobicContact CD1-CE1 3.83Å; I956-Y1012 HydrophobicContact CD1-CG 4.12Å; I956-Y1012 HydrophobicContact CG1-CD1 3.99Å; I956-Y1012 HydrophobicContact CG1-CE1 3.92Å; I956-Y1012 HydrophobicContact CG2-CD1 4.3Å; I956-Y1012 HydrophobicContact CG2-CE1 3.4Å; I956-Y1012 VanDerWaalsContact CG2-CE1 3.4Å; I956-Y1101 HydrophobicContact CD1-CE2 4.36Å
957K74Confident76.5Confident120 Ų12036.2 Ų36.252%0.52220%0.201SC..Hα-helixtrans-84.3-22.5-176.6-65.5178.2-179.4176.80114.8I953 A954 L1106I953-K957 HydrophobicContact CG2-CD 4.26Å; I953-K957 PolarHBondContact O-N 3.48Å; A954-K957 PolarHBondContact O-N 3.15Å; A954-K957 VanDerWaalsContact O-N 3.15Å; K957-L1106 WeakPolarHBondContact CE-O 3.21Å; K957-L1106 PolarHBondContact NZ-O 2.78Å
958S69.8Low77.2Confident53 Ų5332.7 Ų32.737%0.37118%0.182SC..  trans-151.3128.3179.1-177.30000113.8A954 S960 V961A954-S958 PolarHBondContact O-N 3.13Å; S958-S960 PolarHBondContact O-N 2.84Å; S958-S960 PolarHBondContact OG-N 2.79Å; S958-S960 PolarHBondContact OG-OG 3.21Å; S958-V961 WeakPolarHBondContact O-CB 3.44Å; S958-V961 PolarHBondContact O-N 2.9Å; S958-V961 VanDerWaalsContact O-N 3.14Å
959D70.7Confident77.5Confident124 Ų12432.4 Ų32.466%0.66318%0.181SC*.G310 helixtrans-61.5-26.6176.2-83-52000114.2V961 N962D959-V961 PolarHBondContact O-N 3.19Å; D959-N962 WeakPolarHBondContact O-CB 3.32Å; D959-N962 PolarHBondContact O-N 2.97Å; D959-N962 PolarHBondContact OD1-ND2 2.65Å
960S70.3Confident77.8Confident55 Ų5531.6 Ų31.639%0.38518%0.178SC..G310 helixtrans-62.6-11.1177.169.40000114R891 S958R891-S960 PolarHBondContact NH1-OG 3.3Å; S958-S960 PolarHBondContact O-N 2.84Å; S958-S960 PolarHBondContact OG-N 2.79Å; S958-S960 PolarHBondContact OG-OG 3.21Å
961V74.3Confident78.2Confident3 Ų330.7 Ų30.72%0.01817%0.171CC..G310 helixtrans-98.4-22.3178.5-175.10000112.6W887 A954 S958 D959 P963 L964 A965W887-V961 HydrophobicContact CH2-CG1 3.8Å; W887-V961 HydrophobicContact CZ2-CB 4.11Å; W887-V961 HydrophobicContact CZ2-CG1 3.48Å; W887-V961 VanDerWaalsContact CZ2-CG1 3.48Å; W887-V961 HydrophobicContact CZ2-CG2 3.57Å; A954-V961 HydrophobicContact CB-CG1 4.05Å; A954-V961 HydrophobicContact CB-CG2 4.31Å; S958-V961 WeakPolarHBondContact O-CB 3.44Å; S958-V961 PolarHBondContact O-N 2.9Å; S958-V961 VanDerWaalsContact O-N 3.14Å; D959-V961 PolarHBondContact O-N 3.19Å; V961-P963 VanDerWaalsContact C-CD 3.42Å; V961-P963 VanDerWaalsContact C-N 3.32Å; V961-L964 PolarHBondContact O-N 3.43Å; V961-A965 PolarHBondContact O-N 3.4Å
962N77.9Confident78.6Confident28 Ų2830.5 Ų30.515%0.1517%0.17CC..Hα-helixtrans-53.1-38.3-176-88.3-49.4000114.1S955 D959 C966 K1013 T1061S955-N962 PolarHBondContact O-OD1 2.78Å; D959-N962 WeakPolarHBondContact O-CB 3.32Å; D959-N962 PolarHBondContact O-N 2.97Å; D959-N962 PolarHBondContact OD1-ND2 2.65Å; N962-C966 VanDerWaalsContact O-CB 3.24Å; N962-C966 WeakPolarHBondContact O-CB 3.4Å; N962-C966 PolarHBondContact O-N 3.24Å; N962-K1013 PolarHBondContact OD1-NZ 3.24Å; N962-K1013 VanDerWaalsContact OD1-NZ 3.09Å; N962-T1061 PolarHBondContact O-OG1 3.02Å; N962-T1061 PolarHBondContact OD1-OG1 3.11Å
963P79.1Confident78.9Confident73 Ų7330.7 Ų30.747%0.47417%0.172SC..Hα-helixtrans-63-41.7175.8-24.935.9000114.1F894 V961 C966 H967F894-P963 HydrophobicContact CE1-CB 3.97Å; V961-P963 VanDerWaalsContact C-CD 3.42Å; V961-P963 VanDerWaalsContact C-N 3.32Å; P963-C966 PolarHBondContact O-N 2.81Å; P963-H967 PolarHBondContact O-N 3.21Å
964L81Confident79Confident6 Ų631.9 Ų31.93%0.03118%0.178CC..Hα-helixtrans-68.9-46.9178.7177.666.1000110.7L852 L856 W887 I890 F894 V961 C966 H967 V968L852-L964 HydrophobicContact CD1-CD1 4.45Å; L852-L964 HydrophobicContact CD2-CD1 4.36Å; L856-L964 HydrophobicContact CD2-CD2 4.46Å; W887-L964 HydrophobicContact CH2-CD2 3.88Å; W887-L964 HydrophobicContact CZ2-CD2 4.46Å; W887-L964 HydrophobicContact CZ3-CD2 4.35Å; I890-L964 HydrophobicContact CG2-CD1 4.49Å; I890-L964 HydrophobicContact CG2-CD2 3.64Å; F894-L964 HydrophobicContact CB-CD1 4.33Å; F894-L964 HydrophobicContact CD2-CD1 3.77Å; F894-L964 HydrophobicContact CE2-CD1 4.24Å; F894-L964 HydrophobicContact CG-CD1 3.98Å; V961-L964 PolarHBondContact O-N 3.43Å; L964-C966 VanDerWaalsContact C-N 3.27Å; L964-C966 PolarHBondContact O-N 3.07Å; L964-H967 WeakPolarHBondContact O-CB 3.23Å; L964-H967 PolarHBondContact O-N 3.41Å; L964-H967 VanDerWaalsContact O-N 3.15Å; L964-V968 WeakPolarHBondContact O-CG2 3.28Å; L964-V968 PolarHBondContact O-N 3.3Å
965A81.6Confident79.3Confident1 Ų130.9 Ų30.91%0.00817%0.17CC..Hα-helixtrans-60.1-38.4175.900000111.9I951 V961 L969 T1061I951-A965 HydrophobicContact CG2-CB 4.24Å; V961-A965 PolarHBondContact O-N 3.4Å; A965-L969 WeakPolarHBondContact O-CB 3.36Å; A965-L969 VanDerWaalsContact O-CG 3.29Å; A965-L969 WeakPolarHBondContact O-CG 3.27Å; A965-L969 PolarHBondContact O-N 3.48Å; A965-T1061 HydrophobicContact CB-CG2 3.9Å
966C83.5Confident79.6Confident11 Ų1130.8 Ų30.87%0.07417%0.17CC..Hα-helixtrans-67.2-40.2175.2-162.70000111.9N962 P963 L964 L969 Q970 M1059 T1061N962-C966 VanDerWaalsContact O-CB 3.24Å; N962-C966 WeakPolarHBondContact O-CB 3.4Å; N962-C966 PolarHBondContact O-N 3.24Å; P963-C966 PolarHBondContact O-N 2.81Å; L964-C966 VanDerWaalsContact C-N 3.27Å; L964-C966 PolarHBondContact O-N 3.07Å; C966-L969 PolarHBondContact O-N 3.1Å; C966-Q970 WeakPolarHBondContact O-CB 3.07Å; C966-Q970 VanDerWaalsContact O-CG 3.22Å; C966-Q970 WeakPolarHBondContact O-CG 3.17Å; C966-Q970 PolarHBondContact O-N 2.95Å; C966-Q970 PolarHBondContact SG-NE2 3.06Å; C966-M1059 PolarHBondContact SG-O 3.13Å; C966-T1061 HydrophobicContact CB-CG2 4.28Å
967H81.9Confident79.7Confident24 Ų2431.8 Ų31.811%0.11118%0.176CC..Hα-helixtrans-62.6-44.4174.1177.1-103.7000113D849 F894 P963 L964 Q970 T971D849-H967 IonicContact OD1-NE2 2.98Å; D849-H967 PolarHBondContact OD1-NE2 3.09Å; F894-H967 HydrophobicContact CE2-CB 3.63Å; F894-H967 AromaticContact CE2-CE1 3.98Å; F894-H967 AromaticContact CE2-CG 3.62Å; F894-H967 AromaticContact CE2-ND1 3.85Å; F894-H967 HydrophobicContact CZ-CB 3.89Å; P963-H967 PolarHBondContact O-N 3.21Å; L964-H967 WeakPolarHBondContact O-CB 3.23Å; L964-H967 PolarHBondContact O-N 3.41Å; L964-H967 VanDerWaalsContact O-N 3.15Å; H967-Q970 PolarHBondContact O-N 3.47Å; H967-T971 WeakPolarHBondContact O-CB 3.36Å; H967-T971 PolarHBondContact O-N 3Å; H967-T971 PolarHBondContact O-OG1 3.41Å
968V83.3Confident79.9Confident4 Ų426.8 Ų26.82%0.02415%0.154CC..Hα-helixtrans-62.8-46.2176.9173.40000110.7L856 L948 L964 Q970 T971 I972L856-V968 HydrophobicContact CD1-CG2 4.19Å; L948-V968 HydrophobicContact CD1-CG1 3.85Å; L964-V968 WeakPolarHBondContact O-CG2 3.28Å; L964-V968 PolarHBondContact O-N 3.3Å; V968-Q970 PolarHBondContact O-N 3.15Å; V968-T971 WeakPolarHBondContact O-CB 3.43Å; V968-T971 PolarHBondContact O-N 3.15Å; V968-T971 VanDerWaalsContact O-N 3.13Å; V968-I972 HydrophobicContact CG1-CD1 4.18Å; V968-I972 WeakPolarHBondContact O-CG1 3.44Å; V968-I972 PolarHBondContact O-N 3.41Å
969L85.2Confident80.1Confident0 Ų024.3 Ų24.30%014%0.136CC..Hα-helixtrans-64.1-39.7176.4-70.9168.9000112.7L952 A965 C966 T971 I972 S973 V1006 F1009 T1061 A1064 A1065 V1068L952-L969 HydrophobicContact CD2-CD1 3.95Å; L952-L969 HydrophobicContact CD2-CD2 4.31Å; L952-L969 HydrophobicContact CD2-CG 4.26Å; A965-L969 WeakPolarHBondContact O-CB 3.36Å; A965-L969 VanDerWaalsContact O-CG 3.29Å; A965-L969 WeakPolarHBondContact O-CG 3.27Å; A965-L969 PolarHBondContact O-N 3.48Å; C966-L969 PolarHBondContact O-N 3.1Å; L969-T971 VanDerWaalsContact C-N 3.3Å; L969-T971 PolarHBondContact O-N 2.89Å; L969-I972 PolarHBondContact O-N 2.97Å; L969-S973 WeakPolarHBondContact O-CB 3.36Å; L969-S973 PolarHBondContact O-N 3.31Å; L969-V1006 HydrophobicContact CD2-CG1 4.43Å; L969-V1006 HydrophobicContact CD2-CG2 3.85Å; L969-F1009 HydrophobicContact CD1-CE1 4.15Å; L969-T1061 HydrophobicContact CD1-CG2 3.79Å; L969-A1064 HydrophobicContact CB-CB 3.79Å; L969-A1064 HydrophobicContact CD1-CB 4.39Å; L969-A1065 HydrophobicContact CD1-CB 4Å; L969-V1068 HydrophobicContact CB-CG2 4.49Å; L969-V1068 HydrophobicContact CD2-CG2 4.22Å; L969-V1068 VanDerWaalsContact O-CG2 3.25Å; L969-V1068 WeakPolarHBondContact O-CG2 3.38Å
970Q83.5Confident80Confident66 Ų6619.8 Ų19.831%0.30811%0.113SC..Hα-helixtrans-65.2-33.7172.6-73.9175.22200112.1C966 H967 V968 S973 N974 A1064C966-Q970 WeakPolarHBondContact O-CB 3.07Å; C966-Q970 VanDerWaalsContact O-CG 3.22Å; C966-Q970 WeakPolarHBondContact O-CG 3.17Å; C966-Q970 PolarHBondContact O-N 2.95Å; C966-Q970 PolarHBondContact SG-NE2 3.06Å; H967-Q970 PolarHBondContact O-N 3.47Å; V968-Q970 PolarHBondContact O-N 3.15Å; Q970-S973 PolarHBondContact O-N 2.95Å; Q970-N974 VanDerWaalsContact O-CB 3.31Å; Q970-N974 WeakPolarHBondContact O-CB 3.43Å; Q970-N974 PolarHBondContact O-N 3.04Å; Q970-N974 PolarHBondContact O-ND2 3.12Å; Q970-A1064 HydrophobicContact CG-CB 4.23Å
971T80.8Confident79.7Confident4 Ų422.7 Ų22.73%0.02512%0.121CC..Hα-helixtrans-66.8-47.5175.5-62.30000111.3I920 L943 H967 V968 L969 N974 R975I920-T971 HydrophobicContact CG2-CG2 3.89Å; L943-T971 HydrophobicContact CD1-CG2 3.86Å; H967-T971 WeakPolarHBondContact O-CB 3.36Å; H967-T971 PolarHBondContact O-N 3Å; H967-T971 PolarHBondContact O-OG1 3.41Å; V968-T971 WeakPolarHBondContact O-CB 3.43Å; V968-T971 PolarHBondContact O-N 3.15Å; V968-T971 VanDerWaalsContact O-N 3.13Å; L969-T971 VanDerWaalsContact C-N 3.3Å; L969-T971 PolarHBondContact O-N 2.89Å; T971-N974 PolarHBondContact O-N 3.15Å; T971-R975 WeakPolarHBondContact O-CB 3.4Å; T971-R975 WeakPolarHBondContact O-CG 3.38Å; T971-R975 PolarHBondContact O-N 3.31Å
972I85.7Confident79Confident0 Ų023.1 Ų23.10%012%0.124CC..Hα-helixtrans-60-48.4172.8-62.6169.2000110.2L940 L943 L948 V968 L969 N974 R975 L976 I1002 V1068L940-I972 HydrophobicContact CD2-CG2 4.22Å; L943-I972 HydrophobicContact CB-CG1 4.37Å; L943-I972 HydrophobicContact CD1-CG1 3.73Å; L948-I972 HydrophobicContact CD1-CD1 4.21Å; L948-I972 HydrophobicContact CD2-CD1 3.99Å; V968-I972 HydrophobicContact CG1-CD1 4.18Å; V968-I972 WeakPolarHBondContact O-CG1 3.44Å; V968-I972 PolarHBondContact O-N 3.41Å; L969-I972 PolarHBondContact O-N 2.97Å; I972-N974 VanDerWaalsContact C-N 3.32Å; I972-N974 PolarHBondContact O-N 3.13Å; I972-R975 PolarHBondContact O-N 3.49Å; I972-L976 HydrophobicContact CG2-CD1 3.93Å; I972-L976 HydrophobicContact CG2-CG 4.34Å; I972-L976 WeakPolarHBondContact O-CG 3.47Å; I972-L976 PolarHBondContact O-N 2.81Å; I972-I1002 HydrophobicContact CD1-CG2 4.44Å; I972-I1002 HydrophobicContact CG2-CG2 3.98Å; I972-V1068 HydrophobicContact CB-CG2 4.04Å; I972-V1068 HydrophobicContact CG2-CB 4.5Å; I972-V1068 HydrophobicContact CG2-CG1 3.73Å; I972-V1068 HydrophobicContact CG2-CG2 3.92Å
973S85.2Confident77.6Confident5 Ų524.9 Ų24.94%0.03514%0.142CC..Hα-helixtrans-55.9-44.4179.3178.40000112.2L969 Q970 N977 N1071L969-S973 WeakPolarHBondContact O-CB 3.36Å; L969-S973 PolarHBondContact O-N 3.31Å; Q970-S973 PolarHBondContact O-N 2.95Å; S973-N977 WeakPolarHBondContact O-CB 3.25Å; S973-N977 PolarHBondContact O-N 3.18Å; S973-N1071 PolarHBondContact O-ND2 2.97Å; S973-N1071 PolarHBondContact OG-ND2 2.9Å; S973-N1071 VanDerWaalsContact OG-ND2 3.15Å
974N80.3Confident76.2Confident31 Ų3127.2 Ų27.217%0.16615%0.147CC..Hα-helixtrans-70.6-40.8177.3-82.4-59.1000113.1N917 I920 Q970 T971 I972 N977 Q978N917-N974 PolarHBondContact ND2-OD1 2.79Å; I920-N974 HydrophobicContact CD1-CB 4.01Å; I920-N974 WeakPolarHBondContact CD1-ND2 3.38Å; Q970-N974 VanDerWaalsContact O-CB 3.31Å; Q970-N974 WeakPolarHBondContact O-CB 3.43Å; Q970-N974 PolarHBondContact O-N 3.04Å; Q970-N974 PolarHBondContact O-ND2 3.12Å; T971-N974 PolarHBondContact O-N 3.15Å; I972-N974 VanDerWaalsContact C-N 3.32Å; I972-N974 PolarHBondContact O-N 3.13Å; N974-N977 PolarHBondContact O-N 3.45Å; N974-Q978 VanDerWaalsContact O-CG 3.28Å; N974-Q978 WeakPolarHBondContact O-CG 3.49Å; N974-Q978 PolarHBondContact O-N 2.74Å
975R81.2Confident74.7Confident0 Ų028.6 Ų28.60%016%0.162CC..Hα-helixtrans-63.1-40.8175.6-76.6172.5175.8177.46.9111.9E853 L921 L936 S939 L940 L943 T971 I972 Q978 F979E853-R975 VanDerWaalsContact CD-NH1 3.31Å; E853-R975 IonicContact OE1-CZ 3.39Å; E853-R975 IonicContact OE1-NH1 3.59Å; E853-R975 PolarHBondContact OE1-NH1 2.98Å; E853-R975 IonicContact OE1-NH2 2.74Å; E853-R975 PolarHBondContact OE1-NH2 3.2Å; E853-R975 IonicContact OE2-CZ 3.84Å; E853-R975 IonicContact OE2-NH1 3.57Å; E853-R975 PolarHBondContact OE2-NH1 3.29Å; E853-R975 IonicContact OE2-NH2 2.72Å; L921-R975 PolarHBondContact O-NH2 3.29Å; L936-R975 HydrophobicContact CD2-CG 4.47Å; S939-R975 PolarHBondContact O-NH1 3.27Å; S939-R975 WeakPolarHBondContact OG-CD 3.28Å; S939-R975 PolarHBondContact OG-NE 3.2Å; L940-R975 HydrophobicContact CD2-CB 4.16Å; L943-R975 VanDerWaalsContact CD1-NH1 3.31Å; T971-R975 WeakPolarHBondContact O-CB 3.4Å; T971-R975 WeakPolarHBondContact O-CG 3.38Å; T971-R975 PolarHBondContact O-N 3.31Å; I972-R975 PolarHBondContact O-N 3.49Å; R975-Q978 PolarHBondContact O-N 3.46Å; R975-F979 VanDerWaalsContact O-CD2 3.28Å; R975-F979 WeakPolarHBondContact O-CD2 3.36Å
976L84.8Confident73.4Confident0 Ų033.1 Ų33.10%019%0.186CC..Hα-helixtrans-63-47.3170.8-67.2173.6000111L940 I972 Q978 F979 L999 V1068 N1071 L1075L940-L976 HydrophobicContact CD1-CD2 3.93Å; I972-L976 HydrophobicContact CG2-CD1 3.93Å; I972-L976 HydrophobicContact CG2-CG 4.34Å; I972-L976 WeakPolarHBondContact O-CG 3.47Å; I972-L976 PolarHBondContact O-N 2.81Å; L976-Q978 PolarHBondContact O-N 3.48Å; L976-F979 PolarHBondContact O-N 3.11Å; L976-F979 VanDerWaalsContact O-N 3.13Å; L976-L999 HydrophobicContact CD1-CD1 4.22Å; L976-L999 HydrophobicContact CD2-CD1 4.07Å; L976-V1068 HydrophobicContact CD1-CG1 4Å; L976-N1071 HydrophobicContact CB-CB 3.99Å; L976-N1071 HydrophobicContact CD1-CB 4.5Å; L976-L1075 HydrophobicContact CB-CD1 3.96Å; L976-L1075 HydrophobicContact CD2-CD1 3.81Å; L976-L1075 HydrophobicContact CG-CD1 4.47Å; L976-L1075 WeakPolarHBondContact O-CD1 3.33Å
977N80.7Confident72.3Confident60 Ų6032.6 Ų32.632%0.32118%0.183SC..Hα-helixtrans-61.7-30.3179.5-165.555.4000113.1S973 N974 F979 T980S973-N977 WeakPolarHBondContact O-CB 3.25Å; S973-N977 PolarHBondContact O-N 3.18Å; N974-N977 PolarHBondContact O-N 3.45Å; N977-F979 VanDerWaalsContact C-N 3.26Å; N977-F979 PolarHBondContact O-N 2.68Å; N977-T980 WeakPolarHBondContact O-CB 3.4Å; N977-T980 PolarHBondContact O-N 3.23Å; N977-T980 PolarHBondContact O-OG1 2.93Å
978Q76.6Confident71.2Confident15 Ų1534.6 Ų34.67%0.0720%0.198CC..Hα-helixtrans-64.7-23.5176.9-77.1161.41100114S922 L924 L936 N974 R975 L976 T980 H981S922-Q978 VanDerWaalsContact CB-NE2 3.29Å; S922-Q978 VanDerWaalsContact CB-OE1 3.32Å; L924-Q978 HydrophobicContact CD1-CB 4.18Å; L924-Q978 HydrophobicContact CD1-CG 3.99Å; L936-Q978 HydrophobicContact CD1-CB 4.13Å; L936-Q978 HydrophobicContact CD2-CB 4.21Å; N974-Q978 VanDerWaalsContact O-CG 3.28Å; N974-Q978 WeakPolarHBondContact O-CG 3.49Å; N974-Q978 PolarHBondContact O-N 2.74Å; R975-Q978 PolarHBondContact O-N 3.46Å; L976-Q978 PolarHBondContact O-N 3.48Å; Q978-T980 PolarHBondContact O-N 2.77Å; Q978-H981 PolarHBondContact O-N 2.72Å; Q978-H981 VanDerWaalsContact O-N 3.15Å
979F75.2Confident70Confident0 Ų035.4 Ų35.40%020%0.204CC..G310 helixtrans-69-20.7170-71-84.9000113C933 L936 I937 L940 R975 L976 N977 H981 C982 I987 L995 L1075C933-F979 HydrophobicContact CB-CE1 4.02Å; L936-F979 HydrophobicContact CB-CE1 3.96Å; L936-F979 HydrophobicContact CB-CE2 3.65Å; L936-F979 HydrophobicContact CB-CZ 3.31Å; L936-F979 HydrophobicContact CD1-CD1 4.13Å; L936-F979 HydrophobicContact CD1-CD2 4.14Å; L936-F979 HydrophobicContact CD1-CE1 4.04Å; L936-F979 HydrophobicContact CD1-CE2 4.05Å; L936-F979 HydrophobicContact CD1-CG 4.19Å; L936-F979 HydrophobicContact CD1-CZ 4.01Å; L936-F979 HydrophobicContact CG-CE2 4.4Å; L936-F979 HydrophobicContact CG-CZ 4.29Å; I937-F979 HydrophobicContact CG1-CE1 4.31Å; I937-F979 HydrophobicContact CG1-CZ 3.86Å; L940-F979 HydrophobicContact CD1-CE2 4.03Å; R975-F979 VanDerWaalsContact O-CD2 3.28Å; R975-F979 WeakPolarHBondContact O-CD2 3.36Å; L976-F979 PolarHBondContact O-N 3.11Å; L976-F979 VanDerWaalsContact O-N 3.13Å; N977-F979 VanDerWaalsContact C-N 3.26Å; N977-F979 PolarHBondContact O-N 2.68Å; F979-H981 PolarHBondContact O-N 2.79Å; F979-C982 PolarHBondContact O-SG 3.02Å; F979-I987 HydrophobicContact CB-CD1 3.96Å; F979-I987 HydrophobicContact CB-CG1 4.3Å; F979-I987 HydrophobicContact CD1-CD1 4.2Å; F979-I987 HydrophobicContact CD1-CG1 4.29Å; F979-I987 HydrophobicContact CD1-CG2 4.28Å; F979-I987 HydrophobicContact CG-CD1 4.39Å; F979-L995 HydrophobicContact CD1-CD2 4.07Å; F979-L995 HydrophobicContact CD2-CD1 4.44Å; F979-L995 HydrophobicContact CD2-CD2 4.31Å; F979-L995 HydrophobicContact CE1-CD1 4.46Å; F979-L995 HydrophobicContact CE1-CD2 4.02Å; F979-L995 HydrophobicContact CE2-CD1 3.77Å; F979-L995 HydrophobicContact CE2-CD2 4.27Å; F979-L995 HydrophobicContact CG-CD2 4.21Å; F979-L995 HydrophobicContact CZ-CD1 3.77Å; F979-L995 HydrophobicContact CZ-CD2 4.12Å; F979-L1075 HydrophobicContact CB-CD1 4.22Å; F979-L1075 HydrophobicContact CB-CD2 3.55Å; F979-L1075 HydrophobicContact CD2-CD1 4.34Å
980T69Low68.6Low29 Ų2937.6 Ų37.618%0.17822%0.221CC..G310 helixtrans-78.5-3.8172.377.10000113.2N977 Q978 L1075 Y1079N977-T980 WeakPolarHBondContact O-CB 3.4Å; N977-T980 PolarHBondContact O-N 3.23Å; N977-T980 PolarHBondContact O-OG1 2.93Å; Q978-T980 PolarHBondContact O-N 2.77Å; T980-L1075 HydrophobicContact CG2-CD2 3.67Å; T980-Y1079 HydrophobicContact CG2-CD2 4.43Å; T980-Y1079 HydrophobicContact CG2-CE2 3.78Å
981H63.1Low67.7Low117 Ų11735.6 Ų35.654%0.54221%0.211SC..G310 helixtrans-112.79.3178-63.3-28.5000112.8Q978 F979Q978-H981 PolarHBondContact O-N 2.72Å; Q978-H981 VanDerWaalsContact O-N 3.15Å; F979-H981 PolarHBondContact O-N 2.79Å
982C60.1Low67.3Low12 Ų1236.4 Ų36.48%0.08121%0.214CC..SBendtrans-58.9138168.7-630000110.5S931 C933 F979 E984 G985S931-C982 WeakPolarHBondContact OG-CA 3.4Å; S931-C982 PolarHBondContact OG-SG 3.43Å; C933-C982 PolarHBondContact SG-SG 2.61Å; F979-C982 PolarHBondContact O-SG 3.02Å; C982-E984 PolarHBondContact O-N 3.43Å; C982-G985 PolarHBondContact O-N 3.24Å
983A48.3Very low66.7Low64 Ų6439.3 Ų39.353%0.52923%0.229SC..G310 helixtrans-53.8134.8-174.100000112.5G985A983-G985 PolarHBondContact O-N 3.21Å
984E49.8Very low66.3Low123 Ų12341.2 Ų41.258%0.57525%0.245SC*.G310 helixtrans5710.5177.4-55.6-160.5-15600117.5S428 L431 C982S428-E984 WeakPolarHBondContact CB-OE2 3.39Å; L431-E984 HydrophobicContact CD1-CG 4.45Å; L431-E984 WeakPolarHBondContact CD1-OE1 3.14Å; C982-E984 PolarHBondContact O-N 3.43Å
985G48.8Very low66.4Low35 Ų3539.8 Ų39.836%0.36124%0.238SC..G310 helixtrans103.54.1155.800000117C982 A983 Y1079C982-G985 PolarHBondContact O-N 3.24Å; A983-G985 PolarHBondContact O-N 3.21Å; G985-Y1079 VanDerWaalsContact O-CD1 3.22Å; G985-Y1079 WeakPolarHBondContact O-CD1 3.27Å; G985-Y1079 WeakPolarHBondContact O-CE1 3.2Å
986D53.7Low66.5Low95 Ų9539.8 Ų39.851%0.50824%0.238SC..  trans-125.3139.8179.2-101.9-63.8000112.4R992D986-R992 IonicContact OD1-CZ 3.71Å; D986-R992 IonicContact OD1-NH1 3.85Å; D986-R992 IonicContact OD1-NH2 2.73Å; D986-R992 PolarHBondContact OD1-NH2 2.95Å
987I60.8Low66.4Low0 Ų043.4 Ų43.40%026%0.263CS..  trans-77.3130.2172.6-61.8168.5000107.8F979 C989 R992 L995 L1075 L1080F979-I987 HydrophobicContact CB-CD1 3.96Å; F979-I987 HydrophobicContact CB-CG1 4.3Å; F979-I987 HydrophobicContact CD1-CD1 4.2Å; F979-I987 HydrophobicContact CD1-CG1 4.29Å; F979-I987 HydrophobicContact CD1-CG2 4.28Å; F979-I987 HydrophobicContact CG-CD1 4.39Å; I987-C989 PolarHBondContact O-N 3.48Å; I987-R992 HydrophobicContact CB-CG 4.36Å; I987-R992 HydrophobicContact CG2-CG 4.18Å; I987-R992 VanDerWaalsContact O-CZ 3.25Å; I987-R992 PolarHBondContact O-NE 3.32Å; I987-R992 PolarHBondContact O-NH2 3.43Å; I987-L995 HydrophobicContact CD1-CD2 4.04Å; I987-L1075 HydrophobicContact CD1-CD2 4.29Å; I987-L1080 HydrophobicContact CD1-CD2 3.79Å; I987-L1080 HydrophobicContact CD1-CG 4.34Å
988P60Low66.6Low67 Ų6742.3 Ų42.344%0.43526%0.256SS..  trans-59.3131.1-177.5-23.233000111.9A990 Y991P988-A990 VanDerWaalsContact C-N 3.26Å; P988-A990 PolarHBondContact O-N 3.08Å; P988-A990 VanDerWaalsContact O-N 3.11Å; P988-Y991 HydrophobicContact CB-CD2 4.17Å; P988-Y991 PolarHBondContact O-N 3.36Å
989C56.7Low67Low21 Ų2141.7 Ų41.714%0.14225%0.253CS..Hα-helixtrans-55.8-38.2-165.7-61.60000113.8S584 T585 I987 Y991 R992S584-C989 PolarHBondContact OG-SG 3.47Å; T585-C989 HydrophobicContact CG2-CB 4.02Å; I987-C989 PolarHBondContact O-N 3.48Å; C989-Y991 PolarHBondContact O-N 3.19Å; C989-R992 PolarHBondContact O-N 3.45Å
990A56Low67.5Low45 Ų4541.7 Ų41.737%0.37225%0.253SS..Hα-helixtrans-68.18.3176.400000115.5R650 P988R650-A990 VanDerWaalsContact NH2-CB 3.27Å; R650-A990 PolarHBondContact NH2-O 2.85Å; P988-A990 VanDerWaalsContact C-N 3.26Å; P988-A990 PolarHBondContact O-N 3.08Å; P988-A990 VanDerWaalsContact O-N 3.11Å
991Y66.1Low68.3Low24 Ų2443.2 Ų43.29%0.09426%0.264CS..Hα-helixtrans-123.5-13.6170.1-68.6-57.3000113.6E646 R650 C933 I937 P988 C989 D993 A994 L995E646-Y991 PolarHBondContact OE1-OH 3.18Å; R650-Y991 VanDerWaalsContact NH2-CE1 3.31Å; R650-Y991 PolarHBondContact NH2-OH 3.39Å; C933-Y991 HydrophobicContact CB-CD2 3.64Å; C933-Y991 HydrophobicContact CB-CE2 4.27Å; C933-Y991 HydrophobicContact CB-CG 4.02Å; I937-Y991 HydrophobicContact CD1-CD1 3.97Å; I937-Y991 HydrophobicContact CD1-CG 4.21Å; I937-Y991 WeakPolarHBondContact CD1-O 3.38Å; P988-Y991 HydrophobicContact CB-CD2 4.17Å; P988-Y991 PolarHBondContact O-N 3.36Å; C989-Y991 PolarHBondContact O-N 3.19Å; Y991-D993 PolarHBondContact O-N 3.28Å; Y991-A994 PolarHBondContact O-N 2.79Å; Y991-L995 WeakPolarHBondContact O-CB 3.25Å; Y991-L995 PolarHBondContact O-N 2.94Å
992R70.8Confident69.4Low22 Ų2237.8 Ų37.88%0.08324%0.238CC..Hα-helixtrans-61.2-45.5-173.9-68-175.9-171.2-150.8-4.7113D986 I987 C989 L995 I996 L1080D986-R992 IonicContact OD1-CZ 3.71Å; D986-R992 IonicContact OD1-NH1 3.85Å; D986-R992 IonicContact OD1-NH2 2.73Å; D986-R992 PolarHBondContact OD1-NH2 2.95Å; I987-R992 HydrophobicContact CB-CG 4.36Å; I987-R992 HydrophobicContact CG2-CG 4.18Å; I987-R992 VanDerWaalsContact O-CZ 3.25Å; I987-R992 PolarHBondContact O-NE 3.32Å; I987-R992 PolarHBondContact O-NH2 3.43Å; C989-R992 PolarHBondContact O-N 3.45Å; R992-L995 PolarHBondContact O-N 3.2Å; R992-I996 WeakPolarHBondContact O-CD1 3.4Å; R992-I996 WeakPolarHBondContact O-CG1 3.41Å; R992-I996 PolarHBondContact O-N 2.94Å; R992-L1080 HydrophobicContact CB-CD2 3.78Å; R992-L1080 HydrophobicContact CG-CD2 3.68Å
993D73.6Confident70.7Confident61 Ų6137.2 Ų37.233%0.32623%0.234SC..Hα-helixtrans-76.9-32.1-175-59.9-57.4000112.8Y991 I996 S997 R1084Y991-D993 PolarHBondContact O-N 3.28Å; D993-I996 PolarHBondContact O-N 3.14Å; D993-S997 PolarHBondContact O-N 3.25Å; D993-S997 VanDerWaalsContact O-N 3.16Å; D993-R1084 IonicContact OD1-CZ 3.73Å; D993-R1084 IonicContact OD1-NE 3.55Å; D993-R1084 PolarHBondContact OD1-NE 3.16Å; D993-R1084 IonicContact OD1-NH2 3.49Å; D993-R1084 PolarHBondContact OD1-NH2 3.32Å; D993-R1084 IonicContact OD2-CZ 3.96Å; D993-R1084 IonicContact OD2-NE 3.54Å; D993-R1084 PolarHBondContact OD2-NE 3.01Å; D993-R1084 IonicContact OD2-NH2 2.7Å; D993-R1084 PolarHBondContact OD2-NH2 2.91Å
994A75.9Confident72.5Confident45 Ų4537.7 Ų37.737%0.37223%0.225SC..Hα-helixtrans-67.4-37.9171.100000111.9I937 Y991 I996 S997 E998I937-A994 HydrophobicContact CD1-CB 4.02Å; I937-A994 HydrophobicContact CG2-CB 4.33Å; Y991-A994 PolarHBondContact O-N 2.79Å; A994-I996 VanDerWaalsContact C-N 3.29Å; A994-I996 PolarHBondContact O-N 3.03Å; A994-S997 WeakPolarHBondContact O-CB 3.28Å; A994-S997 PolarHBondContact O-N 3.05Å; A994-E998 PolarHBondContact O-N 3.43Å; A994-E998 VanDerWaalsContact O-N 3.17Å
995L83Confident74.2Confident0 Ų033.5 Ų33.50%021%0.208CC..Hα-helixtrans-62.2-36.2175.3-178.658.4000112I937 L940 F979 I987 Y991 R992 L999 L1080I937-L995 HydrophobicContact CD1-CB 3.92Å; I937-L995 HydrophobicContact CG1-CB 4.27Å; I937-L995 HydrophobicContact CG1-CD1 4.3Å; L940-L995 HydrophobicContact CD1-CD1 3.68Å; F979-L995 HydrophobicContact CD1-CD2 4.07Å; F979-L995 HydrophobicContact CD2-CD1 4.44Å; F979-L995 HydrophobicContact CD2-CD2 4.31Å; F979-L995 HydrophobicContact CE1-CD1 4.46Å; F979-L995 HydrophobicContact CE1-CD2 4.02Å; F979-L995 HydrophobicContact CE2-CD1 3.77Å; F979-L995 HydrophobicContact CE2-CD2 4.27Å; F979-L995 HydrophobicContact CG-CD2 4.21Å; F979-L995 HydrophobicContact CZ-CD1 3.77Å; F979-L995 HydrophobicContact CZ-CD2 4.12Å; I987-L995 HydrophobicContact CD1-CD2 4.04Å; Y991-L995 WeakPolarHBondContact O-CB 3.25Å; Y991-L995 PolarHBondContact O-N 2.94Å; R992-L995 PolarHBondContact O-N 3.2Å; L995-L999 WeakPolarHBondContact O-CB 3.35Å; L995-L999 PolarHBondContact O-N 2.96Å; L995-L1080 HydrophobicContact CD2-CD1 4.39Å; L995-L1080 HydrophobicContact CD2-CD2 4.39Å
996I84Confident76Confident1 Ų131.8 Ų31.81%0.00519%0.191CC..Hα-helixtrans-69.2-39.4176-63.7159.6000111.1R992 D993 A994 E998 L999 G1000 L1080 R1084 K1087 L1088 I1091R992-I996 WeakPolarHBondContact O-CD1 3.4Å; R992-I996 WeakPolarHBondContact O-CG1 3.41Å; R992-I996 PolarHBondContact O-N 2.94Å; D993-I996 PolarHBondContact O-N 3.14Å; A994-I996 VanDerWaalsContact C-N 3.29Å; A994-I996 PolarHBondContact O-N 3.03Å; I996-E998 VanDerWaalsContact C-N 3.31Å; I996-E998 PolarHBondContact O-N 3.31Å; I996-L999 PolarHBondContact O-N 2.82Å; I996-G1000 PolarHBondContact O-N 2.89Å; I996-L1080 HydrophobicContact CD1-CD1 4.39Å; I996-L1080 HydrophobicContact CG1-CD1 3.93Å; I996-R1084 HydrophobicContact CD1-CB 3.47Å; I996-R1084 VanDerWaalsContact CD1-CB 3.47Å; I996-R1084 HydrophobicContact CD1-CG 3.52Å; I996-K1087 HydrophobicContact CG2-CB 4.45Å; I996-K1087 HydrophobicContact CG2-CD 4.46Å; I996-K1087 HydrophobicContact CG2-CG 4.21Å; I996-L1088 HydrophobicContact CG2-CB 4.21Å; I996-L1088 HydrophobicContact CG2-CD1 4.47Å; I996-I1091 HydrophobicContact CG2-CD1 3.88Å
997S83.3Confident77.6Confident75 Ų7527.3 Ų27.352%0.52417%0.167SC..Hα-helixtrans-57.1-43.7176.5-1540000111.8D993 A994 P1001D993-S997 PolarHBondContact O-N 3.25Å; D993-S997 VanDerWaalsContact O-N 3.16Å; A994-S997 WeakPolarHBondContact O-CB 3.28Å; A994-S997 PolarHBondContact O-N 3.05Å; S997-P1001 WeakPolarHBondContact O-CD 3.49Å
998E83.1Confident78.8Confident38 Ų3829.9 Ų29.918%0.17818%0.177CC..Hα-helixtrans-79.5-35.1177.1-65.5-52.9130.600113.7I937 L940 V941 S944 A994 I996 G1000 P1001 I1002I937-E998 HydrophobicContact CG2-CG 4.24Å; L940-E998 HydrophobicContact CB-CB 4.42Å; V941-E998 WeakPolarHBondContact CA-OE2 3.21Å; V941-E998 VanDerWaalsContact CG2-CD 3.43Å; V941-E998 HydrophobicContact CG2-CG 3.7Å; S944-E998 PolarHBondContact OG-OE2 3.46Å; A994-E998 PolarHBondContact O-N 3.43Å; A994-E998 VanDerWaalsContact O-N 3.17Å; I996-E998 VanDerWaalsContact C-N 3.31Å; I996-E998 PolarHBondContact O-N 3.31Å; E998-G1000 VanDerWaalsContact C-N 3.28Å; E998-G1000 PolarHBondContact O-N 3.09Å; E998-P1001 WeakPolarHBondContact O-CD 3.45Å; E998-I1002 WeakPolarHBondContact O-CD1 3.2Å; E998-I1002 WeakPolarHBondContact O-CG1 3.44Å; E998-I1002 PolarHBondContact O-N 3.01Å
999L86.7Confident80.1Confident1 Ų126.7 Ų26.71%0.00516%0.156CC..Hα-helixtrans-66.7-31.4-178.9-176.660.7000111.9L976 L995 I996 M1003 L1088L976-L999 HydrophobicContact CD1-CD1 4.22Å; L976-L999 HydrophobicContact CD2-CD1 4.07Å; L995-L999 WeakPolarHBondContact O-CB 3.35Å; L995-L999 PolarHBondContact O-N 2.96Å; I996-L999 PolarHBondContact O-N 2.82Å; L999-M1003 HydrophobicContact CD1-CG 3.82Å; L999-M1003 HydrophobicContact CD1-SD 3.97Å; L999-M1003 HydrophobicContact CD2-SD 4.26Å; L999-M1003 HydrophobicContact CG-CG 4.09Å; L999-M1003 HydrophobicContact CG-SD 3.83Å; L999-M1003 VanDerWaalsContact O-CB 3.3Å; L999-M1003 WeakPolarHBondContact O-CB 3.2Å; L999-M1003 VanDerWaalsContact O-CG 3.3Å; L999-M1003 WeakPolarHBondContact O-CG 3.31Å; L999-M1003 PolarHBondContact O-N 3.27Å; L999-L1088 HydrophobicContact CB-CD1 4.24Å; L999-L1088 HydrophobicContact CD2-CD1 4.08Å; L999-L1088 HydrophobicContact CD2-CD2 3.67Å; L999-L1088 HydrophobicContact CG-CD1 3.96Å; L999-L1088 HydrophobicContact CG-CD2 4.36Å
1000G85.7Confident81.5Confident0 Ų025.7 Ų25.70%015%0.149CC..Hα-helixtrans-55.5-6417700000113.9I996 E998 I1002 M1003 K1004I996-G1000 PolarHBondContact O-N 2.89Å; E998-G1000 VanDerWaalsContact C-N 3.28Å; E998-G1000 PolarHBondContact O-N 3.09Å; G1000-I1002 VanDerWaalsContact C-N 3.35Å; G1000-I1002 PolarHBondContact O-N 3.23Å; G1000-M1003 PolarHBondContact O-N 2.99Å; G1000-K1004 WeakPolarHBondContact O-CG 3.46Å; G1000-K1004 PolarHBondContact O-N 3.34Å
1001P84.3Confident82.9Confident62 Ų6224.1 Ų24.140%0.40313%0.134SC..Hα-helixtrans-56.4-43.6176.8-27.335.6000113.4S997 E998 M1003 K1004 C1005S997-P1001 WeakPolarHBondContact O-CD 3.49Å; E998-P1001 WeakPolarHBondContact O-CD 3.45Å; P1001-M1003 VanDerWaalsContact C-N 3.33Å; P1001-M1003 PolarHBondContact O-N 3.36Å; P1001-K1004 PolarHBondContact O-N 3.36Å; P1001-C1005 PolarHBondContact O-N 2.94Å
1002I86.4Confident83.8Confident2 Ų224.8 Ų24.81%0.0114%0.137CC..Hα-helixtrans-59.1-45.6177.5-66.5172.5000110.4L940 I972 E998 G1000 C1005 V1006 V1068L940-I1002 HydrophobicContact CB-CD1 4.19Å; L940-I1002 HydrophobicContact CD2-CD1 4.14Å; I972-I1002 HydrophobicContact CD1-CG2 4.44Å; I972-I1002 HydrophobicContact CG2-CG2 3.98Å; E998-I1002 WeakPolarHBondContact O-CD1 3.2Å; E998-I1002 WeakPolarHBondContact O-CG1 3.44Å; E998-I1002 PolarHBondContact O-N 3.01Å; G1000-I1002 VanDerWaalsContact C-N 3.35Å; G1000-I1002 PolarHBondContact O-N 3.23Å; I1002-C1005 PolarHBondContact O-N 3.46Å; I1002-V1006 HydrophobicContact CG2-CG2 4.43Å; I1002-V1006 WeakPolarHBondContact O-CB 3.47Å; I1002-V1006 VanDerWaalsContact O-CG2 3.25Å; I1002-V1006 WeakPolarHBondContact O-CG2 3.29Å; I1002-V1006 PolarHBondContact O-N 3.42Å; I1002-V1068 HydrophobicContact CG2-CG1 4.17Å
1003M87Confident84.2Confident0 Ų025.9 Ų25.90%014%0.142CC..Hα-helixtrans-67.3-40.5176.8-75.1-171.365.500112.8L999 G1000 P1001 C1005 V1006 I1007 I1069 M1073 L1088 I1092L999-M1003 HydrophobicContact CD1-CG 3.82Å; L999-M1003 HydrophobicContact CD1-SD 3.97Å; L999-M1003 HydrophobicContact CD2-SD 4.26Å; L999-M1003 HydrophobicContact CG-CG 4.09Å; L999-M1003 HydrophobicContact CG-SD 3.83Å; L999-M1003 VanDerWaalsContact O-CB 3.3Å; L999-M1003 WeakPolarHBondContact O-CB 3.2Å; L999-M1003 VanDerWaalsContact O-CG 3.3Å; L999-M1003 WeakPolarHBondContact O-CG 3.31Å; L999-M1003 PolarHBondContact O-N 3.27Å; G1000-M1003 PolarHBondContact O-N 2.99Å; P1001-M1003 VanDerWaalsContact C-N 3.33Å; P1001-M1003 PolarHBondContact O-N 3.36Å; M1003-C1005 VanDerWaalsContact C-N 3.32Å; M1003-C1005 PolarHBondContact O-N 3.22Å; M1003-V1006 PolarHBondContact O-N 2.99Å; M1003-I1007 HydrophobicContact CB-CD1 4.33Å; M1003-I1007 HydrophobicContact CE-CD1 4.17Å; M1003-I1007 VanDerWaalsContact O-CB 3.32Å; M1003-I1007 WeakPolarHBondContact O-CB 3.3Å; M1003-I1007 WeakPolarHBondContact O-CD1 3.42Å; M1003-I1007 WeakPolarHBondContact O-CG1 3.39Å; M1003-I1007 PolarHBondContact O-N 3.41Å; M1003-I1069 HydrophobicContact CE-CG2 4.43Å; M1003-M1073 HydrophobicContact CE-CG 3.9Å; M1003-M1073 HydrophobicContact CE-SD 3.7Å; M1003-M1073 HydrophobicContact SD-SD 4.22Å; M1003-L1088 HydrophobicContact SD-CD1 4.22Å; M1003-L1088 HydrophobicContact SD-CD2 4.08Å; M1003-L1088 HydrophobicContact SD-CG 4.45Å; M1003-I1092 HydrophobicContact CB-CG2 3.86Å; M1003-I1092 HydrophobicContact CE-CD1 4.11Å
1004K87.1Confident84.4Confident74 Ų7423.4 Ų23.432%0.32213%0.129SC..Hα-helixtrans-53.1-48.7174-74.5-177.1179.6-177.90110.9G1000 P1001 I1091 V1095G1000-K1004 WeakPolarHBondContact O-CG 3.46Å; G1000-K1004 PolarHBondContact O-N 3.34Å; P1001-K1004 PolarHBondContact O-N 3.36Å; K1004-I1091 WeakPolarHBondContact CE-O 3.36Å; K1004-V1095 HydrophobicContact CB-CG2 4.04Å; K1004-V1095 HydrophobicContact CD-CG2 4.41Å; K1004-V1095 HydrophobicContact CG-CG2 3.9Å
1005C84.6Confident84.3Confident35 Ų3523.3 Ų23.324%0.23612%0.121CC..Hα-helixtrans-67.2-45.5179.1-67.40000113.3L952 P1001 I1002 M1003 F1009L952-C1005 HydrophobicContact CD1-CB 4.41Å; P1001-C1005 PolarHBondContact O-N 2.94Å; I1002-C1005 PolarHBondContact O-N 3.46Å; M1003-C1005 VanDerWaalsContact C-N 3.32Å; M1003-C1005 PolarHBondContact O-N 3.22Å; C1005-F1009 PolarHBondContact O-N 2.91Å
1006V87.7Confident83.6Confident0 Ų031.2 Ų31.20%015%0.151CC..Hα-helixtrans-72.7-31.8-174.3177.20000112.2L952 L969 I1002 M1003 Y1010 A1065 V1068 I1069L952-V1006 HydrophobicContact CD1-CG2 4.44Å; L969-V1006 HydrophobicContact CD2-CG1 4.43Å; L969-V1006 HydrophobicContact CD2-CG2 3.85Å; I1002-V1006 HydrophobicContact CG2-CG2 4.43Å; I1002-V1006 WeakPolarHBondContact O-CB 3.47Å; I1002-V1006 VanDerWaalsContact O-CG2 3.25Å; I1002-V1006 WeakPolarHBondContact O-CG2 3.29Å; I1002-V1006 PolarHBondContact O-N 3.42Å; M1003-V1006 PolarHBondContact O-N 2.99Å; V1006-Y1010 WeakPolarHBondContact O-CB 3.15Å; V1006-Y1010 PolarHBondContact O-N 3.22Å; V1006-A1065 HydrophobicContact CG1-CB 3.75Å; V1006-A1065 WeakPolarHBondContact CG1-O 3.44Å; V1006-V1068 HydrophobicContact CG1-CB 4.31Å; V1006-V1068 HydrophobicContact CG1-CG1 4.38Å; V1006-V1068 HydrophobicContact CG2-CG1 4.29Å; V1006-I1069 HydrophobicContact CG1-CD1 4.12Å; V1006-I1069 HydrophobicContact CG1-CG1 3.9Å
1007I87.6Confident82.2Confident0 Ų035.2 Ų35.20%017%0.173CC..Hα-helixtrans-64.7-49.9175.5-71.3168.1000111.1M1003 F1009 Y1010 H1011 I1069 V1095 F1141 L1144 W1148M1003-I1007 HydrophobicContact CB-CD1 4.33Å; M1003-I1007 HydrophobicContact CE-CD1 4.17Å; M1003-I1007 VanDerWaalsContact O-CB 3.32Å; M1003-I1007 WeakPolarHBondContact O-CB 3.3Å; M1003-I1007 WeakPolarHBondContact O-CD1 3.42Å; M1003-I1007 WeakPolarHBondContact O-CG1 3.39Å; M1003-I1007 PolarHBondContact O-N 3.41Å; I1007-F1009 VanDerWaalsContact C-N 3.34Å; I1007-F1009 PolarHBondContact O-N 3.08Å; I1007-Y1010 PolarHBondContact O-N 3.09Å; I1007-H1011 WeakPolarHBondContact O-CB 3.41Å; I1007-H1011 PolarHBondContact O-N 2.8Å; I1007-I1069 HydrophobicContact CG1-CD1 3.96Å; I1007-I1069 HydrophobicContact CG1-CG1 4.32Å; I1007-V1095 HydrophobicContact CB-CG1 4.04Å; I1007-V1095 HydrophobicContact CG2-CG1 3.79Å; I1007-F1141 HydrophobicContact CD1-CE2 4.06Å; I1007-L1144 HydrophobicContact CG2-CD2 3.72Å; I1007-W1148 HydrophobicContact CG2-CH2 4.1Å; I1007-W1148 HydrophobicContact CG2-CZ2 4.13Å
1008R86.4Confident79.9Confident55 Ų5537.8 Ų37.821%0.20818%0.176CC..Hα-helixtrans-57.8-46.3176.7-71.4-169.4151.1138.6-1.4111.6Y1010 H1011 Y1012 V1095 P1099 D1100 Y1101R1008-Y1010 PolarHBondContact O-N 3.07Å; R1008-H1011 PolarHBondContact O-N 3.43Å; R1008-Y1012 WeakPolarHBondContact O-CB 3.47Å; R1008-Y1012 PolarHBondContact O-N 3.43Å; R1008-V1095 HydrophobicContact CG-CG1 3.71Å; R1008-P1099 WeakPolarHBondContact CG-O 3.25Å; R1008-D1100 PolarHBondContact NE-O 2.91Å; R1008-Y1101 HydrophobicContact CB-CD2 4.35Å; R1008-Y1101 HydrophobicContact CB-CE1 4.29Å; R1008-Y1101 HydrophobicContact CB-CE2 3.82Å; R1008-Y1101 WeakPolarHBondContact O-CE2 3.23Å
1009F85.6Confident77.5Confident0 Ų042.5 Ų42.50%020%0.203CC..Hα-helixtrans-59.8-44.8178176.1-102.6000113.3L952 S955 I956 L969 C1005 I1007 K1013 T1061 A1065 Y1101L952-F1009 HydrophobicContact CB-CB 4.47Å; L952-F1009 HydrophobicContact CB-CD2 3.75Å; L952-F1009 HydrophobicContact CB-CE2 4.19Å; L952-F1009 HydrophobicContact CB-CG 4.19Å; L952-F1009 HydrophobicContact CD1-CB 4.15Å; L952-F1009 HydrophobicContact CD1-CG 4.31Å; L952-F1009 HydrophobicContact CD2-CD1 4.01Å; L952-F1009 HydrophobicContact CD2-CD2 4.04Å; L952-F1009 HydrophobicContact CD2-CE1 4.04Å; L952-F1009 HydrophobicContact CD2-CE2 4.06Å; L952-F1009 HydrophobicContact CD2-CG 4Å; L952-F1009 HydrophobicContact CD2-CZ 4.04Å; L952-F1009 HydrophobicContact CG-CD2 4.36Å; L952-F1009 HydrophobicContact CG-CG 4.39Å; L952-F1009 WeakPolarHBondContact O-CE2 3.29Å; S955-F1009 VanDerWaalsContact OG-CE2 3.24Å; S955-F1009 WeakPolarHBondContact OG-CE2 3.41Å; I956-F1009 HydrophobicContact CD1-CD2 4.05Å; I956-F1009 HydrophobicContact CD1-CE2 4.37Å; I956-F1009 HydrophobicContact CG1-CD2 4.26Å; I956-F1009 HydrophobicContact CG1-CE2 4.07Å; L969-F1009 HydrophobicContact CD1-CE1 4.15Å; C1005-F1009 PolarHBondContact O-N 2.91Å; I1007-F1009 VanDerWaalsContact C-N 3.34Å; I1007-F1009 PolarHBondContact O-N 3.08Å; F1009-K1013 HydrophobicContact CE1-CD 4.33Å; F1009-K1013 HydrophobicContact CE2-CD 4.09Å; F1009-K1013 HydrophobicContact CE2-CG 4.48Å; F1009-K1013 HydrophobicContact CZ-CD 3.79Å; F1009-K1013 PolarHBondContact O-N 3.47Å; F1009-T1061 HydrophobicContact CE1-CG2 4.01Å; F1009-T1061 HydrophobicContact CZ-CG2 3.78Å; F1009-A1065 HydrophobicContact CD1-CB 3.89Å; F1009-A1065 HydrophobicContact CE1-CB 4.1Å; F1009-Y1101 PolarHBondContact N-OH 2.91Å
1010Y86.4Confident75Confident0 Ų053 Ų530%024%0.244CC..Hα-helixtrans-69.6-39.6179-171.2-111.9000111.9V1006 I1007 R1008 K1013 I1014 S1062 A1065 L1066 W1148 D1176 L1180V1006-Y1010 WeakPolarHBondContact O-CB 3.15Å; V1006-Y1010 PolarHBondContact O-N 3.22Å; I1007-Y1010 PolarHBondContact O-N 3.09Å; R1008-Y1010 PolarHBondContact O-N 3.07Å; Y1010-K1013 PolarHBondContact O-N 2.9Å; Y1010-I1014 HydrophobicContact CD1-CD1 3.89Å; Y1010-I1014 HydrophobicContact CE1-CD1 3.32Å; Y1010-I1014 HydrophobicContact CE1-CG1 4.37Å; Y1010-I1014 HydrophobicContact CE2-CD1 4.31Å; Y1010-I1014 PolarHBondContact O-N 3.33Å; Y1010-S1062 WeakPolarHBondContact CD2-O 3.43Å; Y1010-S1062 VanDerWaalsContact CE2-O 3.31Å; Y1010-S1062 WeakPolarHBondContact CE2-O 3.28Å; Y1010-A1065 HydrophobicContact CD2-CB 4.29Å; Y1010-L1066 HydrophobicContact CD2-CB 4.33Å; Y1010-L1066 HydrophobicContact CE1-CD1 4.06Å; Y1010-L1066 HydrophobicContact CE2-CB 3.9Å; Y1010-W1148 HydrophobicContact CD1-CD2 4.03Å; Y1010-W1148 AromaticContact CD1-CE2 3.99Å; Y1010-W1148 HydrophobicContact CD1-CE3 4.02Å; Y1010-W1148 HydrophobicContact CD1-CH2 4Å; Y1010-W1148 AromaticContact CD1-CZ2 3.99Å; Y1010-W1148 HydrophobicContact CD1-CZ2 3.99Å; Y1010-W1148 HydrophobicContact CD1-CZ3 4.02Å; Y1010-W1148 HydrophobicContact CE1-CD2 4.05Å; Y1010-W1148 AromaticContact CE1-CE3 3.98Å; Y1010-W1148 HydrophobicContact CE1-CE3 3.98Å; Y1010-W1148 HydrophobicContact CE1-CG 4.46Å; Y1010-W1148 HydrophobicContact CE1-CZ3 4.35Å; Y1010-D1176 WeakPolarHBondContact OH-CB 3.28Å; Y1010-D1176 PolarHBondContact OH-OD2 2.63Å; Y1010-L1180 HydrophobicContact CE1-CD2 4.31Å
1011H86.4Confident72.2Confident11 Ų1157.7 Ų57.75%0.05128%0.277CS..Hα-helixtrans-58.5-52.1174.7-165.296.7000111.2I1007 R1008 K1013 I1014 M1015 P1099 D1100 L1144 W1148I1007-H1011 WeakPolarHBondContact O-CB 3.41Å; I1007-H1011 PolarHBondContact O-N 2.8Å; R1008-H1011 PolarHBondContact O-N 3.43Å; H1011-K1013 PolarHBondContact O-N 3.25Å; H1011-I1014 PolarHBondContact O-N 3.15Å; H1011-I1014 VanDerWaalsContact O-N 3.14Å; H1011-M1015 VanDerWaalsContact CD2-CG 3.47Å; H1011-M1015 WeakPolarHBondContact CD2-CG 3.49Å; H1011-M1015 VanDerWaalsContact NE2-CG 3.32Å; H1011-M1015 WeakPolarHBondContact NE2-CG 3.3Å; H1011-M1015 WeakPolarHBondContact O-CG 3.48Å; H1011-M1015 PolarHBondContact O-N 3.15Å; H1011-P1099 HydrophobicContact CB-CB 4.21Å; H1011-P1099 WeakPolarHBondContact CE1-CG 3.42Å; H1011-D1100 IonicContact CD2-OD1 3.89Å; H1011-L1144 WeakPolarHBondContact ND1-CD1 3.46Å; H1011-W1148 HydrophobicContact CB-CZ2 4.22Å; H1011-W1148 AromaticContact CE1-NE1 3.96Å; H1011-W1148 AromaticContact CG-NE1 3.7Å; H1011-W1148 AromaticContact ND1-CD1 3.98Å; H1011-W1148 AromaticContact ND1-CE2 3.92Å; H1011-W1148 AromaticContact ND1-NE1 3.07Å; H1011-W1148 PolarHBondContact ND1-NE1 3.3Å
1012Y83.6Confident69.5Low38 Ų3859.7 Ų59.715%0.14929%0.292CS..Hα-helixtrans-56.2-46.9179-179.2-83.9000112.9I956 R1008 I1014 M1015 R1016 Y1101 L1106I956-Y1012 HydrophobicContact CB-CE1 4.3Å; I956-Y1012 HydrophobicContact CD1-CD1 3.61Å; I956-Y1012 HydrophobicContact CD1-CE1 3.83Å; I956-Y1012 HydrophobicContact CD1-CG 4.12Å; I956-Y1012 HydrophobicContact CG1-CD1 3.99Å; I956-Y1012 HydrophobicContact CG1-CE1 3.92Å; I956-Y1012 HydrophobicContact CG2-CD1 4.3Å; I956-Y1012 HydrophobicContact CG2-CE1 3.4Å; I956-Y1012 VanDerWaalsContact CG2-CE1 3.4Å; R1008-Y1012 WeakPolarHBondContact O-CB 3.47Å; R1008-Y1012 PolarHBondContact O-N 3.43Å; Y1012-I1014 VanDerWaalsContact C-N 3.29Å; Y1012-I1014 PolarHBondContact O-N 3.19Å; Y1012-M1015 PolarHBondContact O-N 2.87Å; Y1012-R1016 PolarHBondContact O-N 2.75Å; Y1012-R1016 VanDerWaalsContact O-N 3.13Å; Y1012-R1016 VanDerWaalsContact OH-CD 3.25Å; Y1012-R1016 WeakPolarHBondContact OH-CD 3.41Å; Y1012-R1016 PolarHBondContact OH-NH1 3.39Å; Y1012-Y1101 AromaticContact CD2-CD2 3.85Å; Y1012-Y1101 HydrophobicContact CD2-CD2 3.85Å; Y1012-Y1101 HydrophobicContact CD2-CE2 4.4Å; Y1012-Y1101 HydrophobicContact CG-CD2 4.13Å; Y1012-Y1101 HydrophobicContact CG-CE2 4.24Å; Y1012-L1106 HydrophobicContact CE2-CD1 4.33Å
1013K79.8Confident66.7Low45 Ų4567.9 Ų67.920%0.19634%0.335CS..Hα-helixtrans-69.5-21.1-180-71.7-155.5173.1-169.10113.8S955 N962 F1009 Y1010 H1011S955-K1013 PolarHBondContact O-NZ 2.89Å; N962-K1013 PolarHBondContact OD1-NZ 3.24Å; N962-K1013 VanDerWaalsContact OD1-NZ 3.09Å; F1009-K1013 HydrophobicContact CE1-CD 4.33Å; F1009-K1013 HydrophobicContact CE2-CD 4.09Å; F1009-K1013 HydrophobicContact CE2-CG 4.48Å; F1009-K1013 HydrophobicContact CZ-CD 3.79Å; F1009-K1013 PolarHBondContact O-N 3.47Å; Y1010-K1013 PolarHBondContact O-N 2.9Å; H1011-K1013 PolarHBondContact O-N 3.25Å
1014I77.8Confident63.8Low9 Ų973.3 Ų73.35%0.04637%0.371CS..Hα-helixtrans-78.3-44.8166.6-70.4171.1000111.1Y1010 H1011 Y1012 W1148 K1151Y1010-I1014 HydrophobicContact CD1-CD1 3.89Å; Y1010-I1014 HydrophobicContact CE1-CD1 3.32Å; Y1010-I1014 HydrophobicContact CE1-CG1 4.37Å; Y1010-I1014 HydrophobicContact CE2-CD1 4.31Å; Y1010-I1014 PolarHBondContact O-N 3.33Å; H1011-I1014 PolarHBondContact O-N 3.15Å; H1011-I1014 VanDerWaalsContact O-N 3.14Å; Y1012-I1014 VanDerWaalsContact C-N 3.29Å; Y1012-I1014 PolarHBondContact O-N 3.19Å; I1014-W1148 HydrophobicContact CD1-CB 3.87Å; I1014-W1148 HydrophobicContact CD1-CD2 4.34Å; I1014-W1148 HydrophobicContact CD1-CG 3.69Å; I1014-K1151 HydrophobicContact CG2-CB 4.39Å; I1014-K1151 HydrophobicContact CG2-CD 4.15Å; I1014-K1151 HydrophobicContact CG2-CG 4.24Å
1015M74.6Confident60.9Low44 Ų4474.7 Ų74.722%0.21739%0.39CS..Hα-helixtrans-74.5-41.1-165.9-72.5-5516300114H1011 Y1012 N1017 K1151H1011-M1015 VanDerWaalsContact CD2-CG 3.47Å; H1011-M1015 WeakPolarHBondContact CD2-CG 3.49Å; H1011-M1015 VanDerWaalsContact NE2-CG 3.32Å; H1011-M1015 WeakPolarHBondContact NE2-CG 3.3Å; H1011-M1015 WeakPolarHBondContact O-CG 3.48Å; H1011-M1015 PolarHBondContact O-N 3.15Å; Y1012-M1015 PolarHBondContact O-N 2.87Å; M1015-N1017 VanDerWaalsContact C-N 3.34Å; M1015-N1017 PolarHBondContact O-N 3.33Å; M1015-K1151 HydrophobicContact CE-CD 4.17Å; M1015-K1151 PolarHBondContact O-NZ 3.32Å; M1015-K1151 HydrophobicContact SD-CD 3.45Å; M1015-K1151 WeakPolarHBondContact SD-CD 3.49Å
1016R66.6Low58.1Low166 Ų16681.6 Ų81.663%0.62642%0.418SS*.THydrogen-bonded Turntrans-89.915.6-168.4-149.7179.2-174.3156.310.5115.1Y1012 E1018Y1012-R1016 PolarHBondContact O-N 2.75Å; Y1012-R1016 VanDerWaalsContact O-N 3.13Å; Y1012-R1016 VanDerWaalsContact OH-CD 3.25Å; Y1012-R1016 WeakPolarHBondContact OH-CD 3.41Å; Y1012-R1016 PolarHBondContact OH-NH1 3.39Å; R1016-E1018 VanDerWaalsContact C-N 3.27Å; R1016-E1018 PolarHBondContact O-N 3.49Å; R1016-E1018 VanDerWaalsContact O-N 3.09Å
1017N54.5Low55.2Low85 Ų8588 Ų8846%0.45546%0.457SS..  trans-90.246.4-166.8-142-6.3000113.7M1015M1015-N1017 VanDerWaalsContact C-N 3.34Å; M1015-N1017 PolarHBondContact O-N 3.33Å
1018E36.4Very low52.3Low128 Ų12895.5 Ų95.560%0.59849%0.492SS*.  trans-117.9151.9174.5-69.9175.3-175.700109.4R1016R1016-E1018 VanDerWaalsContact C-N 3.27Å; R1016-E1018 PolarHBondContact O-N 3.49Å; R1016-E1018 VanDerWaalsContact O-N 3.09Å
1019N32.2Very low49.3Very low137 Ų13798.9 Ų98.973%0.73352%0.524SS*.  trans75.582.2-178-51.7-41.4000117.7
1020Y34Very low46.4Very low221 Ų221104.2 Ų104.287%0.86756%0.557SS**  trans-12161.2152.2-84.5-77000109.8
1021S27.4Very low43.5Very low100 Ų100111.4 Ų111.470%0.69960%0.595SS**  trans-15030.6-170.559.40000115.8
1022S27.7Very low40.6Very low104 Ų104117.6 Ų117.673%0.72763%0.633SS**  trans-16677.7173.145.80000115.1
1023L27.2Very low37.9Very low173 Ų173120.6 Ų120.691%0.90666%0.656SS**  trans-159.3146.8149.1-129.463.1000108.8
1024P27Very low35.4Very low115 Ų115124.9 Ų124.975%0.74769%0.686SS**  trans-86.8163-159.834-34.1000114H1026P1024-H1026 PolarHBondContact O-N 2.86Å
1025S25.3Very low33Very low103 Ų103130 Ų13072%0.7272%0.718SS**  trans-57.7119.1167.850.80000112.1
1026H25.7Very low30.7Very low180 Ų180136.6 Ų136.683%0.83375%0.752SS**  trans17296.1138.2-90.2-62.3000110.8P1024P1024-H1026 PolarHBondContact O-N 2.86Å
1027T26.6Very low28.9Very low133 Ų133131.9 Ų131.982%0.81676%0.756SS**  trans-177.1121.5131.419.10000113
1028Q25.9Very low27.6Very low159 Ų159135.2 Ų135.274%0.74377%0.773SS**  trans24.5116.6143-65.7169.1-6.700120T1030Q1028-T1030 PolarHBondContact O-N 3.2Å
1029S25Very low27.2Very low126 Ų126133.6 Ų133.688%0.88178%0.776SS**  trans-44.5119.5149.749.90000112
1030T24.5Very low27Very low111 Ų111135.8 Ų135.868%0.68178%0.782SS**  trans-128.4117.7174.233.40000110.3Q1028 V1032Q1028-T1030 PolarHBondContact O-N 3.2Å; T1030-V1032 PolarHBondContact O-N 3.42Å
1031N24.4Very low26.9Very low152 Ų152132.6 Ų132.681%0.81378%0.78SS**  trans-70.8118.5171.3-65.8-36.2000108.2T1033N1031-T1033 PolarHBondContact O-N 3.02Å
1032V26.9Very low26.9Very low140 Ų140135.1 Ų135.185%0.84879%0.786SS**  trans-80.368.9171.1-172.70000109.1T1030T1030-V1032 PolarHBondContact O-N 3.42Å
1033T26Very low26.9Very low101 Ų101138.2 Ų138.262%0.6279%0.789SS**  trans-72.8124.8164.9-46.80000107.8N1031 T1035N1031-T1033 PolarHBondContact O-N 3.02Å; T1033-T1035 HydrophobicContact CG2-CG2 4.01Å; T1033-T1035 PolarHBondContact O-N 3.24Å; T1033-T1035 VanDerWaalsContact O-N 3.11Å
1034T27Very low27.1Very low135 Ų135136.9 Ų136.983%0.82878%0.781SS**  trans-78.992.9174.849.60000110.2
1035T27.8Very low27.1Very low117 Ų117135.1 Ų135.172%0.71878%0.777SS**  trans-116.5114.7173.646.40000111.4T1033T1033-T1035 HydrophobicContact CG2-CG2 4.01Å; T1033-T1035 PolarHBondContact O-N 3.24Å; T1033-T1035 VanDerWaalsContact O-N 3.11Å
1036I27.3Very low27.2Very low182 Ų182137.3 Ų137.393%0.93378%0.781SS**  trans-124.4121.2159.2-61.7174.7000104.8
1037G27.9Very low27.4Very low68 Ų68138.3 Ų138.370%0.70179%0.785SS**SBendtrans122.580.8179.500000115.1
1038N27.7Very low27.3Very low154 Ų154136.5 Ų136.582%0.82478%0.778SS**  trans31.6144.8142.7-58.34.2000124
1039S27.6Very low27.3Very low95 Ų95135.1 Ų135.166%0.66478%0.776SS**  trans64.9102145.158.40000121
1040E28.2Very low27.3Very low182 Ų182134.9 Ų134.985%0.8577%0.769SS**  87.2155.3120.7-71.8167.6174.700121.6
1041D31.5Very low27.4Very low154 Ų154134.4 Ų134.482%0.82477%0.77SS**  trans61.8118.1177-60.8-16000121.4
1042N27.2Very low27.4Very low153 Ų153137.5 Ų137.582%0.81878%0.777SS**  trans-85.5156.9167.7-52.6-89.2000109.4
1043E29.2Very low27.3Very low170 Ų170136.8 Ų136.879%0.79477%0.773SS**  -174.5149105.5-102-16816700115.6
1044L29.9Very low27.1Very low144 Ų144143.1 Ų143.175%0.75479%0.785SS**  trans58.4103.4145.4-63.7169.6000122.7
1045A27.5Very low27Very low78 Ų78142.5 Ų142.565%0.64578%0.784SS**  86.6112.3112.600000122.2
1046N26.9Very low27Very low150 Ų150141.2 Ų141.280%0.80279%0.785SS**  46.7112.4128.4-58.5-15.5000120.9
1047Q30.3Very low27.1Very low200 Ų200139.8 Ų139.894%0.93578%0.779SS**  -160168.5110.5-108.1162.750.700112.4
1048S25.4Very low28Very low95 Ų95143.1 Ų143.166%0.66479%0.785SS**  trans-88.4155-174.452.60000112.5
1049D24.6Very low29.5Very low131 Ų131139.6 Ų139.670%0.70177%0.765SS**  167.816191.7-116.7-60.8000116.7
1050T25Very low31.6Very low121 Ų121137.8 Ų137.874%0.74275%0.752SS**  trans68.9146.2161.263.10000123.9
1051S26.2Very low34Very low100 Ų100129.7 Ų129.770%0.69972%0.715SS**  trans77.397.4157.876.90000120.1T1053S1051-T1053 PolarHBondContact O-N 3.49Å
1052K25Very low36.4Very low217 Ų217122.8 Ų122.894%0.94368%0.679SS**  trans-80.887.3167.5-69178178.4175.40111.5R1054K1052-R1054 PolarHBondContact O-N 2.72Å
1053T24.9Very low38.9Very low125 Ų125115.7 Ų115.777%0.76764%0.641SS**PPolyproline II helixtrans-74.1119.2171.244.40000111.6S1051S1051-T1053 PolarHBondContact O-N 3.49Å
1054R22.1Very low41.5Very low234 Ų234107.6 Ų107.688%0.88360%0.604SS**PPolyproline II helixtrans-64137.4173.1-81.6177.4165.6160.5-4.9110.9K1052K1052-R1054 PolarHBondContact O-N 2.72Å
1055P25.8Very low44.2Very low123 Ų123100.8 Ų100.880%0.79957%0.568SS**PPolyproline II helixtrans-64.7139.9166.228.6-33.7000110.2
1056A25.9Very low47Very low90 Ų9097 Ų9774%0.74454%0.537SS*.PPolyproline II helixtrans-68.3148.1176.300000111T1058A1056-T1058 PolarHBondContact O-N 3.46Å
1057L29.7Very low49.8Very low152 Ų15292.2 Ų92.280%0.79651%0.51SS*.  trans-68.3102.3-172.1-65.8103.9000112.3
1058T47.5Very low52.5Low137 Ų13782.7 Ų82.784%0.8447%0.465SS*.PPolyproline II helixtrans-69138.7162.448.40000109.9A1056A1056-T1058 PolarHBondContact O-N 3.46Å
1059M58.8Low55.6Low81 Ų8178.2 Ų78.240%0.39943%0.434SS..PPolyproline II helixtrans-80.8142.3173.6-62.8-14675.700110.4C966 S1063 Q1067C966-M1059 PolarHBondContact SG-O 3.13Å; M1059-S1063 WeakPolarHBondContact CE-OG 3.46Å; M1059-Q1067 PolarHBondContact SD-NE2 2.91Å
1060S73Confident58.6Low57 Ų5773.1 Ų73.140%0.39941%0.406SS..PPolyproline II helixtrans-70.1153175.561.30000111.3S1062 S1063 A1064S1060-S1062 PolarHBondContact O-N 3.09Å; S1060-S1062 PolarHBondContact OG-OG 3.22Å; S1060-S1063 PolarHBondContact O-N 3.42Å; S1060-S1063 PolarHBondContact OG-N 2.97Å; S1060-A1064 PolarHBondContact O-N 3.43Å
1061T78.8Confident61.6Low12 Ų1268.4 Ų68.47%0.07438%0.377CS..Hα-helixtrans-56.7-30.7175.9-36.40000112.2N962 A965 C966 L969 F1009 A1065N962-T1061 PolarHBondContact O-OG1 3.02Å; N962-T1061 PolarHBondContact OD1-OG1 3.11Å; A965-T1061 HydrophobicContact CB-CG2 3.9Å; C966-T1061 HydrophobicContact CB-CG2 4.28Å; L969-T1061 HydrophobicContact CD1-CG2 3.79Å; F1009-T1061 HydrophobicContact CE1-CG2 4.01Å; F1009-T1061 HydrophobicContact CZ-CG2 3.78Å; T1061-A1065 WeakPolarHBondContact O-CB 3.29Å; T1061-A1065 PolarHBondContact O-N 3.06Å
1062S80.5Confident64.4Low9 Ų963.6 Ų63.66%0.06334%0.343CS..Hα-helixtrans-66.8-44.4173.766.10000112.5Y1010 S1060 A1064 A1065 L1066 H1173Y1010-S1062 WeakPolarHBondContact CD2-O 3.43Å; Y1010-S1062 VanDerWaalsContact CE2-O 3.31Å; Y1010-S1062 WeakPolarHBondContact CE2-O 3.28Å; S1060-S1062 PolarHBondContact O-N 3.09Å; S1060-S1062 PolarHBondContact OG-OG 3.22Å; S1062-A1064 VanDerWaalsContact C-N 3.34Å; S1062-A1065 WeakPolarHBondContact O-CB 3.23Å; S1062-A1065 PolarHBondContact O-N 3.07Å; S1062-L1066 PolarHBondContact O-N 2.99Å; S1062-H1173 PolarHBondContact OG-CE1 3.45Å
1063S80.4Confident67.4Low3 Ų353.3 Ų53.32%0.02130%0.298CS..Hα-helixtrans-70.5-34.2179.9-138.20000111.1M1059 S1060 L1066 Q1067 D1176M1059-S1063 WeakPolarHBondContact CE-OG 3.46Å; S1060-S1063 PolarHBondContact O-N 3.42Å; S1060-S1063 PolarHBondContact OG-N 2.97Å; S1063-L1066 PolarHBondContact O-N 3.27Å; S1063-Q1067 WeakPolarHBondContact O-CG 3.28Å; S1063-Q1067 PolarHBondContact O-N 3.4Å; S1063-D1176 WeakPolarHBondContact CA-OD1 3.38Å; S1063-D1176 VanDerWaalsContact CB-OD1 3.23Å; S1063-D1176 WeakPolarHBondContact CB-OD1 3.38Å; S1063-D1176 PolarHBondContact OG-OD1 3.15Å
1064A82.5Confident70.1Confident1 Ų148.5 Ų48.51%0.00827%0.269CS..Hα-helixtrans-63.8-42.6171.100000112.3L969 Q970 S1060 S1062 Q1067 V1068L969-A1064 HydrophobicContact CB-CB 3.79Å; L969-A1064 HydrophobicContact CD1-CB 4.39Å; Q970-A1064 HydrophobicContact CG-CB 4.23Å; S1060-A1064 PolarHBondContact O-N 3.43Å; S1062-A1064 VanDerWaalsContact C-N 3.34Å; A1064-Q1067 PolarHBondContact O-N 3.24Å; A1064-V1068 PolarHBondContact O-N 2.99Å; A1064-V1068 VanDerWaalsContact O-N 3.14Å
1065A86.9Confident73Confident0 Ų037.3 Ų37.30%023%0.227CC..Hα-helixtrans-60.1-45.717300000111.9L969 V1006 F1009 Y1010 T1061 S1062 Q1067 V1068 I1069L969-A1065 HydrophobicContact CD1-CB 4Å; V1006-A1065 HydrophobicContact CG1-CB 3.75Å; V1006-A1065 WeakPolarHBondContact CG1-O 3.44Å; F1009-A1065 HydrophobicContact CD1-CB 3.89Å; F1009-A1065 HydrophobicContact CE1-CB 4.1Å; Y1010-A1065 HydrophobicContact CD2-CB 4.29Å; T1061-A1065 WeakPolarHBondContact O-CB 3.29Å; T1061-A1065 PolarHBondContact O-N 3.06Å; S1062-A1065 WeakPolarHBondContact O-CB 3.23Å; S1062-A1065 PolarHBondContact O-N 3.07Å; A1065-Q1067 VanDerWaalsContact C-N 3.33Å; A1065-Q1067 PolarHBondContact O-N 3.13Å; A1065-V1068 WeakPolarHBondContact O-CB 3.38Å; A1065-V1068 PolarHBondContact O-N 3.4Å; A1065-I1069 PolarHBondContact O-N 3.46Å
1066L87.1Confident75.7Confident0 Ų031.5 Ų31.50%019%0.189CC..Hα-helixtrans-63.9-35.1176.7179.961.8000113Y1010 S1062 S1063 I1069 N1070 D1176 I1179 L1180Y1010-L1066 HydrophobicContact CD2-CB 4.33Å; Y1010-L1066 HydrophobicContact CE1-CD1 4.06Å; Y1010-L1066 HydrophobicContact CE2-CB 3.9Å; S1062-L1066 PolarHBondContact O-N 2.99Å; S1063-L1066 PolarHBondContact O-N 3.27Å; L1066-I1069 PolarHBondContact O-N 3.38Å; L1066-N1070 PolarHBondContact O-N 3.28Å; L1066-D1176 HydrophobicContact CD2-CB 3.65Å; L1066-D1176 WeakPolarHBondContact CD2-O 3.35Å; L1066-I1179 HydrophobicContact CD1-CG2 4.33Å; L1066-I1179 HydrophobicContact CD2-CB 3.75Å; L1066-I1179 HydrophobicContact CD2-CD1 4.33Å; L1066-I1179 HydrophobicContact CD2-CG2 4.1Å; L1066-I1179 HydrophobicContact CG-CB 4Å; L1066-I1179 HydrophobicContact CG-CD1 4.5Å; L1066-I1179 HydrophobicContact CG-CG2 3.77Å; L1066-L1180 HydrophobicContact CD1-CD2 3.73Å; L1066-L1180 HydrophobicContact CD1-CG 4.11Å; L1066-L1180 HydrophobicContact CD2-CD2 4.41Å; L1066-L1180 HydrophobicContact CD2-CG 3.9Å
1067Q85.2Confident78.1Confident49 Ų4929 Ų2923%0.22916%0.163CC..Hα-helixtrans-63.4-40.7172.5-76.9-178.71.900112.4M1059 S1063 A1064 A1065 I1069 N1070 N1071 I1179M1059-Q1067 PolarHBondContact SD-NE2 2.91Å; S1063-Q1067 WeakPolarHBondContact O-CG 3.28Å; S1063-Q1067 PolarHBondContact O-N 3.4Å; A1064-Q1067 PolarHBondContact O-N 3.24Å; A1065-Q1067 VanDerWaalsContact C-N 3.33Å; A1065-Q1067 PolarHBondContact O-N 3.13Å; Q1067-I1069 VanDerWaalsContact C-N 3.34Å; Q1067-I1069 PolarHBondContact O-N 3.38Å; Q1067-N1070 PolarHBondContact O-N 2.89Å; Q1067-N1071 VanDerWaalsContact O-CB 3.31Å; Q1067-N1071 WeakPolarHBondContact O-CB 3.24Å; Q1067-N1071 PolarHBondContact O-N 2.78Å; Q1067-N1071 PolarHBondContact O-OD1 3.25Å; Q1067-I1179 HydrophobicContact CG-CD1 3.76Å
1068V87.8Confident80Confident0 Ų027.4 Ų27.40%015%0.151CC..Hα-helixtrans-58.3-47174171.80000110.6L969 I972 L976 I1002 V1006 A1064 A1065 N1071 G1072L969-V1068 HydrophobicContact CB-CG2 4.49Å; L969-V1068 HydrophobicContact CD2-CG2 4.22Å; L969-V1068 VanDerWaalsContact O-CG2 3.25Å; L969-V1068 WeakPolarHBondContact O-CG2 3.38Å; I972-V1068 HydrophobicContact CB-CG2 4.04Å; I972-V1068 HydrophobicContact CG2-CB 4.5Å; I972-V1068 HydrophobicContact CG2-CG1 3.73Å; I972-V1068 HydrophobicContact CG2-CG2 3.92Å; L976-V1068 HydrophobicContact CD1-CG1 4Å; I1002-V1068 HydrophobicContact CG2-CG1 4.17Å; V1006-V1068 HydrophobicContact CG1-CB 4.31Å; V1006-V1068 HydrophobicContact CG1-CG1 4.38Å; V1006-V1068 HydrophobicContact CG2-CG1 4.29Å; A1064-V1068 PolarHBondContact O-N 2.99Å; A1064-V1068 VanDerWaalsContact O-N 3.14Å; A1065-V1068 WeakPolarHBondContact O-CB 3.38Å; A1065-V1068 PolarHBondContact O-N 3.4Å; V1068-N1071 PolarHBondContact O-N 2.83Å; V1068-G1072 PolarHBondContact O-N 2.95Å
1069I89.8Confident81.1Confident0 Ų023.4 Ų23.40%012%0.121CC..Hα-helixtrans-61.4-48.3177.6-62.4169.6000111.1M1003 V1006 I1007 A1065 L1066 Q1067 N1071 M1073 F1141 W1148 L1183M1003-I1069 HydrophobicContact CE-CG2 4.43Å; V1006-I1069 HydrophobicContact CG1-CD1 4.12Å; V1006-I1069 HydrophobicContact CG1-CG1 3.9Å; I1007-I1069 HydrophobicContact CG1-CD1 3.96Å; I1007-I1069 HydrophobicContact CG1-CG1 4.32Å; A1065-I1069 PolarHBondContact O-N 3.46Å; L1066-I1069 PolarHBondContact O-N 3.38Å; Q1067-I1069 VanDerWaalsContact C-N 3.34Å; Q1067-I1069 PolarHBondContact O-N 3.38Å; I1069-N1071 PolarHBondContact O-N 3.01Å; I1069-M1073 WeakPolarHBondContact O-CG 3.42Å; I1069-M1073 PolarHBondContact O-N 3.15Å; I1069-F1141 HydrophobicContact CG2-CZ 3.91Å; I1069-W1148 HydrophobicContact CD1-CH2 4.23Å; I1069-W1148 HydrophobicContact CD1-CZ3 4.49Å; I1069-L1183 HydrophobicContact CG2-CD2 3.9Å
1070N87.9Confident81.8Confident24 Ų2419.6 Ų19.613%0.12810%0.102CC..Hα-helixtrans-62.3-42.9177.8164.181.8000112.1L1066 Q1067 T1074 I1179 K1186L1066-N1070 PolarHBondContact O-N 3.28Å; Q1067-N1070 PolarHBondContact O-N 2.89Å; N1070-T1074 VanDerWaalsContact O-CB 3.24Å; N1070-T1074 WeakPolarHBondContact O-CB 3.44Å; N1070-T1074 PolarHBondContact O-N 3.2Å; N1070-T1074 PolarHBondContact O-OG1 3.39Å; N1070-I1179 HydrophobicContact CB-CG2 3.5Å; N1070-I1179 VanDerWaalsContact CB-CG2 3.5Å; N1070-K1186 PolarHBondContact OD1-NZ 3.12Å
1071N87Confident81.6Confident22 Ų2218.3 Ų18.312%0.11810%0.098CC..Hα-helixtrans-69.1-45-177.2-67.73.2000110.3S973 L976 Q1067 V1068 I1069 M1073 T1074 L1075S973-N1071 PolarHBondContact O-ND2 2.97Å; S973-N1071 PolarHBondContact OG-ND2 2.9Å; S973-N1071 VanDerWaalsContact OG-ND2 3.15Å; L976-N1071 HydrophobicContact CB-CB 3.99Å; L976-N1071 HydrophobicContact CD1-CB 4.5Å; Q1067-N1071 VanDerWaalsContact O-CB 3.31Å; Q1067-N1071 WeakPolarHBondContact O-CB 3.24Å; Q1067-N1071 PolarHBondContact O-N 2.78Å; Q1067-N1071 PolarHBondContact O-OD1 3.25Å; V1068-N1071 PolarHBondContact O-N 2.83Å; I1069-N1071 PolarHBondContact O-N 3.01Å; N1071-M1073 PolarHBondContact O-N 3.4Å; N1071-T1074 PolarHBondContact O-N 3.1Å; N1071-T1074 VanDerWaalsContact O-N 3.16Å; N1071-L1075 WeakPolarHBondContact O-CG 3.41Å; N1071-L1075 PolarHBondContact O-N 3.05Å
1072G86.5Confident81.2Confident0 Ų019.9 Ų19.90%011%0.105CC..Hα-helixtrans-55.3-49.6173.800000113V1068 T1074 L1075 A1076V1068-G1072 PolarHBondContact O-N 2.95Å; G1072-T1074 PolarHBondContact O-N 3.42Å; G1072-L1075 PolarHBondContact O-N 3.26Å; G1072-A1076 PolarHBondContact O-N 2.69Å
1073M86.6Confident80.8Confident0 Ų024.1 Ų24.10%012%0.124CC..Hα-helixtrans-70.2-30.1177.2-65.6-55.9-73.100113.1M1003 I1069 N1071 L1075 A1076 L1077 L1085 L1088 F1141 L1183 L1187M1003-M1073 HydrophobicContact CE-CG 3.9Å; M1003-M1073 HydrophobicContact CE-SD 3.7Å; M1003-M1073 HydrophobicContact SD-SD 4.22Å; I1069-M1073 WeakPolarHBondContact O-CG 3.42Å; I1069-M1073 PolarHBondContact O-N 3.15Å; N1071-M1073 PolarHBondContact O-N 3.4Å; M1073-L1075 VanDerWaalsContact C-N 3.34Å; M1073-A1076 PolarHBondContact O-N 3.47Å; M1073-L1077 VanDerWaalsContact O-CB 3.29Å; M1073-L1077 WeakPolarHBondContact O-CB 3.36Å; M1073-L1077 WeakPolarHBondContact O-CG 3.42Å; M1073-L1077 PolarHBondContact O-N 3.38Å; M1073-L1085 HydrophobicContact CE-CD1 3.68Å; M1073-L1088 HydrophobicContact SD-CD2 3.86Å; M1073-F1141 HydrophobicContact CE-CD1 4.14Å; M1073-F1141 HydrophobicContact CE-CE1 3.97Å; M1073-F1141 HydrophobicContact CG-CE1 3.93Å; M1073-F1141 HydrophobicContact CG-CZ 4.38Å; M1073-F1141 HydrophobicContact SD-CE1 4.25Å; M1073-L1183 HydrophobicContact CB-CD1 3.83Å; M1073-L1183 HydrophobicContact CG-CD1 4.27Å; M1073-L1187 HydrophobicContact CE-CD2 3.54Å
1074T82.4Confident80.7Confident24 Ų2425 Ų2515%0.14713%0.127CC..Hα-helixtrans-65.7-38.2174-58.60000111.2N1070 N1071 G1072 H1078 K1186N1070-T1074 VanDerWaalsContact O-CB 3.24Å; N1070-T1074 WeakPolarHBondContact O-CB 3.44Å; N1070-T1074 PolarHBondContact O-N 3.2Å; N1070-T1074 PolarHBondContact O-OG1 3.39Å; N1071-T1074 PolarHBondContact O-N 3.1Å; N1071-T1074 VanDerWaalsContact O-N 3.16Å; G1072-T1074 PolarHBondContact O-N 3.42Å; T1074-H1078 WeakPolarHBondContact O-CB 3.23Å; T1074-H1078 PolarHBondContact O-CD2 3.46Å; T1074-H1078 PolarHBondContact O-N 3.22Å; T1074-K1186 PolarHBondContact OG1-NZ 3.14Å
1075L82.8Confident80.6Confident0 Ų025.1 Ų25.10%013%0.127CC..Hα-helixtrans-64.5-49.5172.7-65.7171.4000111.7L976 F979 T980 I987 N1071 G1072 M1073 L1077 Y1079 L1080L976-L1075 HydrophobicContact CB-CD1 3.96Å; L976-L1075 HydrophobicContact CD2-CD1 3.81Å; L976-L1075 HydrophobicContact CG-CD1 4.47Å; L976-L1075 WeakPolarHBondContact O-CD1 3.33Å; F979-L1075 HydrophobicContact CB-CD1 4.22Å; F979-L1075 HydrophobicContact CB-CD2 3.55Å; F979-L1075 HydrophobicContact CD2-CD1 4.34Å; T980-L1075 HydrophobicContact CG2-CD2 3.67Å; I987-L1075 HydrophobicContact CD1-CD2 4.29Å; N1071-L1075 WeakPolarHBondContact O-CG 3.41Å; N1071-L1075 PolarHBondContact O-N 3.05Å; G1072-L1075 PolarHBondContact O-N 3.26Å; M1073-L1075 VanDerWaalsContact C-N 3.34Å; L1075-L1077 VanDerWaalsContact C-N 3.27Å; L1075-L1077 PolarHBondContact O-N 2.93Å; L1075-Y1079 HydrophobicContact CD2-CD2 4.18Å; L1075-Y1079 PolarHBondContact O-N 2.93Å; L1075-L1080 PolarHBondContact O-N 3.22Å; L1075-L1080 VanDerWaalsContact O-N 3.1Å
1076A82.2Confident80.2Confident0 Ų026.8 Ų26.80%014%0.135CC..Iπ-helixtrans-56.1-42.5178.700000112.4G1072 M1073 G1081 L1085 L1088G1072-A1076 PolarHBondContact O-N 2.69Å; M1073-A1076 PolarHBondContact O-N 3.47Å; A1076-G1081 PolarHBondContact O-N 2.91Å; A1076-L1085 HydrophobicContact CB-CD1 3.79Å; A1076-L1088 HydrophobicContact CB-CD2 3.69Å
1077L75.8Confident79.9Confident37 Ų3732.2 Ų32.219%0.19416%0.159CC..Iπ-helixtrans-79.3-38.2-175.7-69175.9000114.9M1073 L1075 L1085 K1186 A1190M1073-L1077 VanDerWaalsContact O-CB 3.29Å; M1073-L1077 WeakPolarHBondContact O-CB 3.36Å; M1073-L1077 WeakPolarHBondContact O-CG 3.42Å; M1073-L1077 PolarHBondContact O-N 3.38Å; L1075-L1077 VanDerWaalsContact C-N 3.27Å; L1075-L1077 PolarHBondContact O-N 2.93Å; L1077-L1085 HydrophobicContact CD2-CD1 3.55Å; L1077-L1085 HydrophobicContact CD2-CD2 3.45Å; L1077-L1085 VanDerWaalsContact CD2-CD2 3.45Å; L1077-L1085 HydrophobicContact CD2-CG 4.07Å; L1077-L1085 HydrophobicContact CG-CD1 4.04Å; L1077-K1186 HydrophobicContact CD1-CB 3.66Å; L1077-A1190 HydrophobicContact CD2-CB 3.3Å
1078H71.3Confident79.9Confident119 Ų11930 Ų3055%0.55115%0.148SC*.Iπ-helixtrans-107.5-17.5-171.6-64.6-72.9000114.9T1074T1074-H1078 WeakPolarHBondContact O-CB 3.23Å; T1074-H1078 PolarHBondContact O-CD2 3.46Å; T1074-H1078 PolarHBondContact O-N 3.22Å
1079Y70.7Confident79.8Confident54 Ų5430 Ų3021%0.21215%0.148CC..Iπ-helixtrans-130.8-16.6-169.6-61.1-90.3000115T980 G985 L1075T980-Y1079 HydrophobicContact CG2-CD2 4.43Å; T980-Y1079 HydrophobicContact CG2-CE2 3.78Å; G985-Y1079 VanDerWaalsContact O-CD1 3.22Å; G985-Y1079 WeakPolarHBondContact O-CD1 3.27Å; G985-Y1079 WeakPolarHBondContact O-CE1 3.2Å; L1075-Y1079 HydrophobicContact CD2-CD2 4.18Å; L1075-Y1079 PolarHBondContact O-N 2.93Å
1080L73.4Confident79.4Confident1 Ų132.5 Ų32.51%0.00516%0.159CC..Iπ-helixtrans-105-29.1178.7-62179.2000113.4I987 R992 L995 I996 L1075 R1084I987-L1080 HydrophobicContact CD1-CD2 3.79Å; I987-L1080 HydrophobicContact CD1-CG 4.34Å; R992-L1080 HydrophobicContact CB-CD2 3.78Å; R992-L1080 HydrophobicContact CG-CD2 3.68Å; L995-L1080 HydrophobicContact CD2-CD1 4.39Å; L995-L1080 HydrophobicContact CD2-CD2 4.39Å; I996-L1080 HydrophobicContact CD1-CD1 4.39Å; I996-L1080 HydrophobicContact CG1-CD1 3.93Å; L1075-L1080 PolarHBondContact O-N 3.22Å; L1075-L1080 VanDerWaalsContact O-N 3.1Å; L1080-R1084 HydrophobicContact CB-CB 3.86Å; L1080-R1084 WeakPolarHBondContact O-CD 3.37Å
1081G68.1Low79.2Confident29 Ų2933.6 Ų33.630%0.29917%0.165SC..  trans92.7162.7177.800000114.3A1076 Q1083 R1084 L1085A1076-G1081 PolarHBondContact O-N 2.91Å; G1081-Q1083 PolarHBondContact O-N 3.44Å; G1081-R1084 WeakPolarHBondContact O-CB 3.12Å; G1081-R1084 PolarHBondContact O-N 2.86Å; G1081-L1085 PolarHBondContact O-N 2.95Å
1082I70.4Confident79.1Confident45 Ų4532.6 Ų32.623%0.23116%0.159CC..Hα-helixtrans-59.4-45.1-167.2-66.1168.8000112.5R1084 L1085 H1086 I1194 E1197I1082-R1084 PolarHBondContact O-N 2.96Å; I1082-L1085 WeakPolarHBondContact O-CB 3.47Å; I1082-L1085 PolarHBondContact O-N 3.38Å; I1082-H1086 VanDerWaalsContact CG2-CE1 3.44Å; I1082-H1086 WeakPolarHBondContact CG2-CE1 3.26Å; I1082-H1086 VanDerWaalsContact CG2-NE2 3.34Å; I1082-H1086 WeakPolarHBondContact CG2-NE2 3.5Å; I1082-H1086 PolarHBondContact O-CD2 3.23Å; I1082-H1086 PolarHBondContact O-N 3.03Å; I1082-I1194 HydrophobicContact CG2-CG1 4.2Å; I1082-E1197 WeakPolarHBondContact CD1-OE1 3.38Å
1083Q72Confident79Confident99 Ų9935 Ų3546%0.46317%0.169SC..Hα-helixtrans-57.9-33.1175.9-64-177.6-12.900113.3G1081 H1086 K1087G1081-Q1083 PolarHBondContact O-N 3.44Å; Q1083-H1086 WeakPolarHBondContact O-CB 3.46Å; Q1083-H1086 PolarHBondContact O-N 3.25Å; Q1083-K1087 PolarHBondContact O-N 3.36Å
1084R78.5Confident78.8Confident22 Ų2237 Ų378%0.08318%0.181CC..Hα-helixtrans-84.2-35.1-178.6-80.5-174.417792.92.6112.6D993 I996 L1080 G1081 I1082 H1086 K1087 L1088D993-R1084 IonicContact OD1-CZ 3.73Å; D993-R1084 IonicContact OD1-NE 3.55Å; D993-R1084 PolarHBondContact OD1-NE 3.16Å; D993-R1084 IonicContact OD1-NH2 3.49Å; D993-R1084 PolarHBondContact OD1-NH2 3.32Å; D993-R1084 IonicContact OD2-CZ 3.96Å; D993-R1084 IonicContact OD2-NE 3.54Å; D993-R1084 PolarHBondContact OD2-NE 3.01Å; D993-R1084 IonicContact OD2-NH2 2.7Å; D993-R1084 PolarHBondContact OD2-NH2 2.91Å; I996-R1084 HydrophobicContact CD1-CB 3.47Å; I996-R1084 VanDerWaalsContact CD1-CB 3.47Å; I996-R1084 HydrophobicContact CD1-CG 3.52Å; L1080-R1084 HydrophobicContact CB-CB 3.86Å; L1080-R1084 WeakPolarHBondContact O-CD 3.37Å; G1081-R1084 WeakPolarHBondContact O-CB 3.12Å; G1081-R1084 PolarHBondContact O-N 2.86Å; I1082-R1084 PolarHBondContact O-N 2.96Å; R1084-H1086 VanDerWaalsContact C-N 3.28Å; R1084-H1086 PolarHBondContact O-N 3.35Å; R1084-K1087 PolarHBondContact O-N 2.93Å; R1084-L1088 PolarHBondContact O-N 3.08Å
1085L80.8Confident78.7Confident2 Ų236 Ų361%0.0118%0.175CC..Hα-helixtrans-54.8-45162.7175.777.1000110.9M1073 A1076 L1077 G1081 I1082 K1087 L1088 C1089 L1138 A1190M1073-L1085 HydrophobicContact CE-CD1 3.68Å; A1076-L1085 HydrophobicContact CB-CD1 3.79Å; L1077-L1085 HydrophobicContact CD2-CD1 3.55Å; L1077-L1085 HydrophobicContact CD2-CD2 3.45Å; L1077-L1085 VanDerWaalsContact CD2-CD2 3.45Å; L1077-L1085 HydrophobicContact CD2-CG 4.07Å; L1077-L1085 HydrophobicContact CG-CD1 4.04Å; G1081-L1085 PolarHBondContact O-N 2.95Å; I1082-L1085 WeakPolarHBondContact O-CB 3.47Å; I1082-L1085 PolarHBondContact O-N 3.38Å; L1085-K1087 PolarHBondContact O-N 3.16Å; L1085-L1088 PolarHBondContact O-N 3.5Å; L1085-C1089 WeakPolarHBondContact O-CB 3.4Å; L1085-C1089 PolarHBondContact O-N 3.42Å; L1085-C1089 PolarHBondContact O-SG 2.74Å; L1085-L1138 HydrophobicContact CD2-CD1 3.64Å; L1085-L1138 HydrophobicContact CG-CD1 4.22Å; L1085-A1190 HydrophobicContact CD2-CB 4.01Å
1086H77.8Confident78.6Confident35 Ų3536.4 Ų36.416%0.16218%0.178CC..Hα-helixtrans-59.4-45.6178.8-65.4176.2000112.3I1082 Q1083 R1084 C1089 K1090 P1134 I1194I1082-H1086 VanDerWaalsContact CG2-CE1 3.44Å; I1082-H1086 WeakPolarHBondContact CG2-CE1 3.26Å; I1082-H1086 VanDerWaalsContact CG2-NE2 3.34Å; I1082-H1086 WeakPolarHBondContact CG2-NE2 3.5Å; I1082-H1086 PolarHBondContact O-CD2 3.23Å; I1082-H1086 PolarHBondContact O-N 3.03Å; Q1083-H1086 WeakPolarHBondContact O-CB 3.46Å; Q1083-H1086 PolarHBondContact O-N 3.25Å; R1084-H1086 VanDerWaalsContact C-N 3.28Å; R1084-H1086 PolarHBondContact O-N 3.35Å; H1086-C1089 PolarHBondContact O-N 3.38Å; H1086-K1090 PolarHBondContact O-N 2.95Å; H1086-P1134 HydrophobicContact CB-CB 3.8Å; H1086-P1134 WeakPolarHBondContact CD2-CB 3.16Å; H1086-I1194 WeakPolarHBondContact NE2-CD1 3.37Å; H1086-I1194 VanDerWaalsContact NE2-CG1 3.28Å; H1086-I1194 WeakPolarHBondContact NE2-CG1 3.33Å
1087K81.8Confident78.6Confident115 Ų11541.4 Ų41.450%0.521%0.205SC..Hα-helixtrans-60.6-45175.5-171171.5-177.1175.60111.7I996 Q1083 R1084 L1085 K1090 I1091I996-K1087 HydrophobicContact CG2-CB 4.45Å; I996-K1087 HydrophobicContact CG2-CD 4.46Å; I996-K1087 HydrophobicContact CG2-CG 4.21Å; Q1083-K1087 PolarHBondContact O-N 3.36Å; R1084-K1087 PolarHBondContact O-N 2.93Å; L1085-K1087 PolarHBondContact O-N 3.16Å; K1087-K1090 PolarHBondContact O-N 3.08Å; K1087-I1091 HydrophobicContact CG-CD1 3.99Å; K1087-I1091 WeakPolarHBondContact O-CD1 3.37Å; K1087-I1091 VanDerWaalsContact O-CG1 3.29Å; K1087-I1091 WeakPolarHBondContact O-CG1 3.4Å; K1087-I1091 PolarHBondContact O-N 3.19Å
1088L84.9Confident78.8Confident1 Ų143.5 Ų43.51%0.00522%0.216CC..Hα-helixtrans-61.6-45.6175.7-177.765.3000112.2I996 L999 M1003 M1073 A1076 R1084 L1085 K1090 I1091 I1092I996-L1088 HydrophobicContact CG2-CB 4.21Å; I996-L1088 HydrophobicContact CG2-CD1 4.47Å; L999-L1088 HydrophobicContact CB-CD1 4.24Å; L999-L1088 HydrophobicContact CD2-CD1 4.08Å; L999-L1088 HydrophobicContact CD2-CD2 3.67Å; L999-L1088 HydrophobicContact CG-CD1 3.96Å; L999-L1088 HydrophobicContact CG-CD2 4.36Å; M1003-L1088 HydrophobicContact SD-CD1 4.22Å; M1003-L1088 HydrophobicContact SD-CD2 4.08Å; M1003-L1088 HydrophobicContact SD-CG 4.45Å; M1073-L1088 HydrophobicContact SD-CD2 3.86Å; A1076-L1088 HydrophobicContact CB-CD2 3.69Å; R1084-L1088 PolarHBondContact O-N 3.08Å; L1085-L1088 PolarHBondContact O-N 3.5Å; L1088-K1090 VanDerWaalsContact C-N 3.34Å; L1088-K1090 PolarHBondContact O-N 2.76Å; L1088-I1091 PolarHBondContact O-N 2.6Å; L1088-I1092 HydrophobicContact CD1-CG2 4.37Å; L1088-I1092 WeakPolarHBondContact O-CG1 3.38Å; L1088-I1092 PolarHBondContact O-N 3.41Å
1089C84.7Confident79.2Confident1 Ų138.5 Ų38.51%0.00719%0.194CC..Hα-helixtrans-61.5-37.9178-75.40000112.5L1085 H1086 Y1093 A1137L1085-C1089 WeakPolarHBondContact O-CB 3.4Å; L1085-C1089 PolarHBondContact O-N 3.42Å; L1085-C1089 PolarHBondContact O-SG 2.74Å; H1086-C1089 PolarHBondContact O-N 3.38Å; C1089-Y1093 PolarHBondContact O-N 3.06Å; C1089-A1137 HydrophobicContact CB-CB 4.12Å
1090K81.9Confident79.5Confident53 Ų5339.8 Ų39.823%0.2320%0.204CC..Hα-helixtrans-62.9-47.9170.6-76.7-163175.2-143.10111.7H1086 K1087 L1088 I1092 Y1093 I1129 A1130 I1132H1086-K1090 PolarHBondContact O-N 2.95Å; K1087-K1090 PolarHBondContact O-N 3.08Å; L1088-K1090 VanDerWaalsContact C-N 3.34Å; L1088-K1090 PolarHBondContact O-N 2.76Å; K1090-I1092 VanDerWaalsContact C-N 3.35Å; K1090-I1092 PolarHBondContact O-N 2.72Å; K1090-Y1093 WeakPolarHBondContact O-CB 3.14Å; K1090-Y1093 PolarHBondContact O-N 3Å; K1090-Y1093 VanDerWaalsContact O-N 3.08Å; K1090-I1129 HydrophobicContact CB-CG2 4.2Å; K1090-I1129 HydrophobicContact CD-CG2 4.05Å; K1090-I1129 PolarHBondContact NZ-O 3.32Å; K1090-A1130 PolarHBondContact NZ-O 3.11Å; K1090-I1132 WeakPolarHBondContact CE-O 3.45Å; K1090-I1132 PolarHBondContact NZ-O 2.69Å
1091I82.8Confident79.5Confident47 Ų4741 Ų4124%0.24121%0.209CC..Hα-helixtrans-61.9-38.3-177.8-66.5161.3000112.6I996 K1004 K1087 L1088 Y1093I996-I1091 HydrophobicContact CG2-CD1 3.88Å; K1004-I1091 WeakPolarHBondContact CE-O 3.36Å; K1087-I1091 HydrophobicContact CG-CD1 3.99Å; K1087-I1091 WeakPolarHBondContact O-CD1 3.37Å; K1087-I1091 VanDerWaalsContact O-CG1 3.29Å; K1087-I1091 WeakPolarHBondContact O-CG1 3.4Å; K1087-I1091 PolarHBondContact O-N 3.19Å; L1088-I1091 PolarHBondContact O-N 2.6Å; I1091-Y1093 VanDerWaalsContact C-N 3.34Å
1092I86.4Confident79.4Confident1 Ų142.6 Ų42.61%0.00521%0.214CC..Hα-helixtrans-81.2-12.2177.368.3178.1000113.3M1003 L1088 K1090 V1095 T1096 F1141M1003-I1092 HydrophobicContact CB-CG2 3.86Å; M1003-I1092 HydrophobicContact CE-CD1 4.11Å; L1088-I1092 HydrophobicContact CD1-CG2 4.37Å; L1088-I1092 WeakPolarHBondContact O-CG1 3.38Å; L1088-I1092 PolarHBondContact O-N 3.41Å; K1090-I1092 VanDerWaalsContact C-N 3.35Å; K1090-I1092 PolarHBondContact O-N 2.72Å; I1092-V1095 PolarHBondContact O-N 2.96Å; I1092-V1095 VanDerWaalsContact O-N 3.1Å; I1092-T1096 HydrophobicContact CB-CG2 4.32Å; I1092-T1096 HydrophobicContact CD1-CG2 4.01Å; I1092-T1096 HydrophobicContact CG1-CG2 3.88Å; I1092-T1096 PolarHBondContact O-N 3.23Å; I1092-T1096 VanDerWaalsContact O-N 3.16Å; I1092-F1141 HydrophobicContact CD1-CD2 4.37Å; I1092-F1141 HydrophobicContact CD1-CG 4.36Å
1093Y84.4Confident78.7Confident51 Ų5148.1 Ų48.120%0.224%0.238CC..Hα-helixtrans-49.2-49.4-168.3178.3-95.4000114.6C1089 K1090 I1091 V1095 T1096 N1097 I1132 A1137 T1140C1089-Y1093 PolarHBondContact O-N 3.06Å; K1090-Y1093 WeakPolarHBondContact O-CB 3.14Å; K1090-Y1093 PolarHBondContact O-N 3Å; K1090-Y1093 VanDerWaalsContact O-N 3.08Å; I1091-Y1093 VanDerWaalsContact C-N 3.34Å; Y1093-V1095 VanDerWaalsContact C-N 3.28Å; Y1093-V1095 PolarHBondContact O-N 3.43Å; Y1093-T1096 WeakPolarHBondContact CA-OG1 3.44Å; Y1093-T1096 WeakPolarHBondContact O-CA 3.37Å; Y1093-T1096 PolarHBondContact O-N 2.97Å; Y1093-T1096 PolarHBondContact O-OG1 3.31Å; Y1093-N1097 HydrophobicContact CE1-CB 4.44Å; Y1093-N1097 PolarHBondContact O-N 3.32Å; Y1093-I1132 HydrophobicContact CD1-CD1 3.44Å; Y1093-I1132 VanDerWaalsContact CD1-CD1 3.44Å; Y1093-I1132 HydrophobicContact CD2-CD1 4.42Å; Y1093-I1132 HydrophobicContact CD2-CG2 4.33Å; Y1093-I1132 HydrophobicContact CE1-CD1 3.32Å; Y1093-I1132 HydrophobicContact CE1-CG1 4.37Å; Y1093-I1132 HydrophobicContact CE2-CD1 4.3Å; Y1093-I1132 HydrophobicContact CE2-CG2 4.29Å; Y1093-I1132 HydrophobicContact CG-CD1 3.99Å; Y1093-A1137 HydrophobicContact CD2-CB 3.83Å; Y1093-T1140 HydrophobicContact CD2-CG2 4.43Å; Y1093-T1140 HydrophobicContact CE2-CG2 3.66Å
1094P81.6Confident77.9Confident40 Ų4050.1 Ų50.126%0.2625%0.248SC..Hα-helixtrans-56.4-42.3-177.2-25.535.6000112.5T1096 N1097 D1098 L1125P1094-T1096 VanDerWaalsContact C-N 3.32Å; P1094-T1096 PolarHBondContact O-N 3.21Å; P1094-N1097 PolarHBondContact O-N 3.19Å; P1094-D1098 PolarHBondContact O-N 3.12Å; P1094-L1125 HydrophobicContact CG-CD1 4.47Å
1095V81.1Confident77.1Confident4 Ų450.7 Ų50.72%0.02425%0.252CS..Hα-helixtrans-75.9-18.7178.7176.80000112.7K1004 I1007 R1008 I1092 Y1093 P1099K1004-V1095 HydrophobicContact CB-CG2 4.04Å; K1004-V1095 HydrophobicContact CD-CG2 4.41Å; K1004-V1095 HydrophobicContact CG-CG2 3.9Å; I1007-V1095 HydrophobicContact CB-CG1 4.04Å; I1007-V1095 HydrophobicContact CG2-CG1 3.79Å; R1008-V1095 HydrophobicContact CG-CG1 3.71Å; I1092-V1095 PolarHBondContact O-N 2.96Å; I1092-V1095 VanDerWaalsContact O-N 3.1Å; Y1093-V1095 VanDerWaalsContact C-N 3.28Å; Y1093-V1095 PolarHBondContact O-N 3.43Å; V1095-P1099 VanDerWaalsContact O-CA 3.32Å; V1095-P1099 WeakPolarHBondContact O-CA 3.26Å; V1095-P1099 WeakPolarHBondContact O-CB 3.35Å
1096T81.2Confident76.2Confident8 Ų851.8 Ų51.85%0.04926%0.257CS..Hα-helixtrans-83.1-16.1170.270.40000113.8I1092 Y1093 P1094 T1140 F1141I1092-T1096 HydrophobicContact CB-CG2 4.32Å; I1092-T1096 HydrophobicContact CD1-CG2 4.01Å; I1092-T1096 HydrophobicContact CG1-CG2 3.88Å; I1092-T1096 PolarHBondContact O-N 3.23Å; I1092-T1096 VanDerWaalsContact O-N 3.16Å; Y1093-T1096 WeakPolarHBondContact CA-OG1 3.44Å; Y1093-T1096 WeakPolarHBondContact O-CA 3.37Å; Y1093-T1096 PolarHBondContact O-N 2.97Å; Y1093-T1096 PolarHBondContact O-OG1 3.31Å; P1094-T1096 VanDerWaalsContact C-N 3.32Å; P1094-T1096 PolarHBondContact O-N 3.21Å; T1096-T1140 PolarHBondContact OG1-OG1 3.47Å; T1096-F1141 HydrophobicContact CG2-CB 4.07Å; T1096-F1141 HydrophobicContact CG2-CD2 3.67Å; T1096-F1141 HydrophobicContact CG2-CG 4.24Å
1097N81.4Confident75Confident106 Ų10655.5 Ų55.557%0.56728%0.278SS*.Hα-helixtrans-94-45.9176.8-165.366.1000111Y1093 P1094Y1093-N1097 HydrophobicContact CE1-CB 4.44Å; Y1093-N1097 PolarHBondContact O-N 3.32Å; P1094-N1097 PolarHBondContact O-N 3.19Å
1098D80.8Confident73.3Confident81 Ų8155.1 Ų55.143%0.43328%0.282SS..  trans-120.497.8169.1-176.12000110.9P1094 D1100P1094-D1098 PolarHBondContact O-N 3.12Å; D1098-D1100 PolarHBondContact OD1-N 3.49Å
1099P78.7Confident71.4Confident14 Ų1457.9 Ų57.99%0.09130%0.296CS..  trans-91.2-3.2-174.738.3-37.7000114.3R1008 H1011 V1095 L1144R1008-P1099 WeakPolarHBondContact CG-O 3.25Å; H1011-P1099 HydrophobicContact CB-CB 4.21Å; H1011-P1099 WeakPolarHBondContact CE1-CG 3.42Å; V1095-P1099 VanDerWaalsContact O-CA 3.32Å; V1095-P1099 WeakPolarHBondContact O-CA 3.26Å; V1095-P1099 WeakPolarHBondContact O-CB 3.35Å; P1099-L1144 HydrophobicContact CB-CD1 3.96Å; P1099-L1144 HydrophobicContact CG-CD1 3.97Å
1100D77.4Confident69Low80 Ų8061.6 Ų61.643%0.42832%0.323SS..SBendtrans-82.3170.5-174.4-87.9-48.2000112.6R1008 H1011 D1098R1008-D1100 PolarHBondContact NE-O 2.91Å; H1011-D1100 IonicContact CD2-OD1 3.89Å; D1098-D1100 PolarHBondContact OD1-N 3.49Å
1101Y72.7Confident66.6Low26 Ų2665.6 Ų65.610%0.10235%0.347CS..PPolyproline II helixtrans-99.9123.7168.5-73.2-89.7000109.1I953 I956 R1008 F1009 Y1012 M1105 L1106I953-Y1101 HydrophobicContact CD1-CE1 4.22Å; I953-Y1101 HydrophobicContact CG1-CE1 4.14Å; I956-Y1101 HydrophobicContact CD1-CE2 4.36Å; R1008-Y1101 HydrophobicContact CB-CD2 4.35Å; R1008-Y1101 HydrophobicContact CB-CE1 4.29Å; R1008-Y1101 HydrophobicContact CB-CE2 3.82Å; R1008-Y1101 WeakPolarHBondContact O-CE2 3.23Å; F1009-Y1101 PolarHBondContact N-OH 2.91Å; Y1012-Y1101 AromaticContact CD2-CD2 3.85Å; Y1012-Y1101 HydrophobicContact CD2-CD2 3.85Å; Y1012-Y1101 HydrophobicContact CD2-CE2 4.4Å; Y1012-Y1101 HydrophobicContact CG-CD2 4.13Å; Y1012-Y1101 HydrophobicContact CG-CE2 4.24Å; Y1101-M1105 HydrophobicContact CD1-CB 4.19Å; Y1101-M1105 HydrophobicContact CD1-CE 4.27Å; Y1101-L1106 HydrophobicContact CD1-CD2 4.46Å; Y1101-L1106 HydrophobicContact CG-CD2 4.3Å; Y1101-L1106 HydrophobicContact CG-CG 4.42Å
1102T66.4Low64Low64 Ų6468.2 Ų68.239%0.39336%0.364SS..PPolyproline II helixtrans-66.7155.6167.367.70000110.3Q1104 M1105 L1106T1102-Q1104 PolarHBondContact O-N 2.82Å; T1102-M1105 WeakPolarHBondContact O-CB 3.28Å; T1102-M1105 PolarHBondContact O-N 2.81Å; T1102-M1105 WeakPolarHBondContact OG1-CG 3.46Å; T1102-M1105 PolarHBondContact OG1-N 3.42Å; T1102-L1106 PolarHBondContact O-N 2.76Å
1103E55.2Low61.4Low160 Ų16071.9 Ų71.975%0.74839%0.388SS*.Hα-helixtrans-60.4-34.7179-61.8-164.2134.100112.2M1105 L1106 N1107E1103-M1105 VanDerWaalsContact C-N 3.34Å; E1103-M1105 PolarHBondContact O-N 3.47Å; E1103-L1106 PolarHBondContact O-N 3.14Å; E1103-L1106 VanDerWaalsContact O-N 3.12Å; E1103-N1107 WeakPolarHBondContact O-CB 3.47Å; E1103-N1107 PolarHBondContact O-N 2.95Å; E1103-N1107 PolarHBondContact O-ND2 3.14Å
1104Q55.6Low58.7Low142 Ų14274.2 Ų74.266%0.66441%0.411SS*.Hα-helixtrans-57-44.8171.5-67.5173.5-16.300111.5T1102 L1106 N1107 N1108T1102-Q1104 PolarHBondContact O-N 2.82Å; Q1104-L1106 VanDerWaalsContact C-N 3.26Å; Q1104-L1106 PolarHBondContact O-N 2.91Å; Q1104-N1107 PolarHBondContact O-N 2.95Å; Q1104-N1108 VanDerWaalsContact O-CB 3.26Å; Q1104-N1108 WeakPolarHBondContact O-CB 3.42Å; Q1104-N1108 PolarHBondContact O-N 3.05Å
1105M61.7Low56.4Low34 Ų3476.6 Ų76.617%0.16742%0.422CS..Hα-helixtrans-68.6-19.5177-71.4-175.476.400114.3Y1101 T1102 E1103Y1101-M1105 HydrophobicContact CD1-CB 4.19Å; Y1101-M1105 HydrophobicContact CD1-CE 4.27Å; T1102-M1105 WeakPolarHBondContact O-CB 3.28Å; T1102-M1105 PolarHBondContact O-N 2.81Å; T1102-M1105 WeakPolarHBondContact OG1-CG 3.46Å; T1102-M1105 PolarHBondContact OG1-N 3.42Å; E1103-M1105 VanDerWaalsContact C-N 3.34Å; E1103-M1105 PolarHBondContact O-N 3.47Å
1106L62.6Low54Low24 Ų2478.3 Ų78.313%0.12643%0.434CS..Hα-helixtrans-91.5-29.8175.9-74.6168.3000112.8K957 Y1012 Y1101 T1102 E1103 Q1104K957-L1106 WeakPolarHBondContact CE-O 3.21Å; K957-L1106 PolarHBondContact NZ-O 2.78Å; Y1012-L1106 HydrophobicContact CE2-CD1 4.33Å; Y1101-L1106 HydrophobicContact CD1-CD2 4.46Å; Y1101-L1106 HydrophobicContact CG-CD2 4.3Å; Y1101-L1106 HydrophobicContact CG-CG 4.42Å; T1102-L1106 PolarHBondContact O-N 2.76Å; E1103-L1106 PolarHBondContact O-N 3.14Å; E1103-L1106 VanDerWaalsContact O-N 3.12Å; Q1104-L1106 VanDerWaalsContact C-N 3.26Å; Q1104-L1106 PolarHBondContact O-N 2.91Å
1107N52.9Low51.8Low113 Ų11384.2 Ų84.260%0.60446%0.461SS*.Hα-helixtrans-96.5-38.5-175.1-67.4-21.5000112.9E1103 Q1104 N1109E1103-N1107 WeakPolarHBondContact O-CB 3.47Å; E1103-N1107 PolarHBondContact O-N 2.95Å; E1103-N1107 PolarHBondContact O-ND2 3.14Å; Q1104-N1107 PolarHBondContact O-N 2.95Å; N1107-N1109 PolarHBondContact O-N 3.26Å
1108N46Very low49.7Very low107 Ų10784.2 Ų84.257%0.57246%0.461SS*.  trans-80.387.3-178.4-65.24.1000111.1Q1104Q1104-N1108 VanDerWaalsContact O-CB 3.26Å; Q1104-N1108 WeakPolarHBondContact O-CB 3.42Å; Q1104-N1108 PolarHBondContact O-N 3.05Å
1109N45.1Very low47.3Very low59 Ų5986.3 Ų86.332%0.31647%0.472SS..  trans-80.6-1.3158.5-95.738.5000112.3V864 N1107V864-N1109 PolarHBondContact O-ND2 3.43Å; N1107-N1109 PolarHBondContact O-N 3.26Å
1110S33.4Very low45Very low80 Ų8091.3 Ų91.356%0.55950%0.497SS*.SBendtrans-77.3134.9-172.552.70000113V1112S1110-V1112 PolarHBondContact O-N 3.42Å; S1110-V1112 VanDerWaalsContact O-N 3.09Å
1111D32.4Very low42.9Very low137 Ų13793 Ų9373%0.73351%0.506SS*.  trans-63.7105.2-179.1-56.8-87.9000113.4
1112V27.8Very low41.3Very low101 Ų10195.4 Ų95.461%0.61252%0.52SS*.  trans-111.7125.7140.6-175.50000105.3S1110 S1116S1110-V1112 PolarHBondContact O-N 3.42Å; S1110-V1112 VanDerWaalsContact O-N 3.09Å; V1112-S1116 WeakPolarHBondContact CG1-OG 3.43Å
1113P30.7Very low40.1Very low78 Ų78100.8 Ų100.851%0.50654%0.541SS..  trans-60.8152.3178.726.4-34.6000110.3D1115P1113-D1115 PolarHBondContact O-N 2.95Å
1114C29Very low39.5Very low101 Ų10195.8 Ų95.868%0.68252%0.524SS*.THydrogen-bonded Turntrans-63.68.3-177.3-59.80000115.3S1116C1114-S1116 PolarHBondContact O-N 3Å
1115D31.4Very low38.9Very low89 Ų8992.1 Ų92.148%0.47651%0.508SS..THydrogen-bonded Turntrans-70.70.1171.7-56.6-48.2000112.6K749 P1113 N1119K749-D1115 IonicContact NZ-OD1 3.96Å; K749-D1115 IonicContact NZ-OD2 2.66Å; K749-D1115 PolarHBondContact NZ-OD2 3.28Å; P1113-D1115 PolarHBondContact O-N 2.95Å; D1115-N1119 WeakPolarHBondContact O-CB 3.36Å; D1115-N1119 PolarHBondContact O-ND2 2.92Å
1116S30.7Very low38.3Very low40 Ų4097.1 Ų97.128%0.2853%0.531SS..THydrogen-bonded Turntrans-122.7-24.7-178.473.70000117.9V1112 C1114 D1118 N1119 I1120V1112-S1116 WeakPolarHBondContact CG1-OG 3.43Å; C1114-S1116 PolarHBondContact O-N 3Å; S1116-D1118 PolarHBondContact O-N 3Å; S1116-N1119 PolarHBondContact O-N 3.36Å; S1116-I1120 WeakPolarHBondContact O-CG1 3.21Å; S1116-I1120 PolarHBondContact O-N 3.18Å
1117E35.5Very low37.6Very low133 Ų13399.3 Ų99.362%0.62155%0.548SS*.THydrogen-bonded Turntrans-70.6-19.4166.7-82.9-176.9179.300110.6K949K949-E1117 IonicContact NZ-OE1 3.31Å; K949-E1117 PolarHBondContact NZ-OE1 2.96Å; K949-E1117 IonicContact NZ-OE2 3.29Å; K949-E1117 PolarHBondContact NZ-OE2 3.19Å
1118D37.3Very low37.5Very low105 Ų10599.9 Ų99.956%0.56155%0.549SS*.THydrogen-bonded Turntrans-102.911.4176.9-63.4-10.3000113.2S1116S1116-D1118 PolarHBondContact O-N 3Å
1119N30Very low38Very low125 Ų12597 Ų9767%0.66853%0.533SS*.THydrogen-bonded Turntrans-135.9-2.1177.4-83.7-70.6000114.5D1115 S1116D1115-N1119 WeakPolarHBondContact O-CB 3.36Å; D1115-N1119 PolarHBondContact O-ND2 2.92Å; S1116-N1119 PolarHBondContact O-N 3.36Å
1120I30.2Very low38.7Very low120 Ų12097.5 Ų97.562%0.61555%0.545SS*.SBendtrans-101.9104171.7-62.7172.6000106.8S1116S1116-I1120 WeakPolarHBondContact O-CG1 3.21Å; S1116-I1120 PolarHBondContact O-N 3.18Å
1121D33.6Very low40Very low115 Ų115101.9 Ų101.962%0.61556%0.557SS**SBendtrans66.431.1176-47.8-29.8000116.8E1123 S1124 L1125D1121-E1123 VanDerWaalsContact C-N 3.28Å; D1121-E1123 PolarHBondContact O-N 2.8Å; D1121-S1124 WeakPolarHBondContact CB-OG 3.48Å; D1121-S1124 WeakPolarHBondContact O-CA 3.39Å; D1121-S1124 VanDerWaalsContact O-CB 3.28Å; D1121-S1124 WeakPolarHBondContact O-CB 3.06Å; D1121-S1124 PolarHBondContact O-N 3.37Å; D1121-S1124 PolarHBondContact O-OG 2.72Å; D1121-L1125 PolarHBondContact O-N 3.43Å; D1121-L1125 VanDerWaalsContact O-N 3.13Å
1122D40Very low41.6Very low76 Ų7696.4 Ų96.441%0.40653%0.527SS..Hα-helixtrans-61.1-34.7177.2-148.734.8000112.1S1124 L1125 E1126D1122-S1124 VanDerWaalsContact C-N 3.26Å; D1122-S1124 PolarHBondContact O-N 2.97Å; D1122-L1125 PolarHBondContact O-N 3.17Å; D1122-L1125 VanDerWaalsContact O-N 3.13Å; D1122-E1126 PolarHBondContact O-N 3.31Å
1123E40.3Very low43.8Very low178 Ų17894.6 Ų94.683%0.83252%0.517SS*.Hα-helixtrans-60.6-31.4169.5-67.2-168.5152.900113D1121 S1127D1121-E1123 VanDerWaalsContact C-N 3.28Å; D1121-E1123 PolarHBondContact O-N 2.8Å; E1123-S1127 VanDerWaalsContact O-CB 3.3Å; E1123-S1127 WeakPolarHBondContact O-CB 3.12Å; E1123-S1127 PolarHBondContact O-N 2.97Å; E1123-S1127 VanDerWaalsContact O-N 3.1Å; E1123-S1127 PolarHBondContact O-OG 3.42Å
1124S43.1Very low45.8Very low54 Ų5492.5 Ų92.538%0.37850%0.503SS..Hα-helixtrans-74-35.2175.587.20000111.7D1121 D1122 S1127 M1128D1121-S1124 WeakPolarHBondContact CB-OG 3.48Å; D1121-S1124 WeakPolarHBondContact O-CA 3.39Å; D1121-S1124 VanDerWaalsContact O-CB 3.28Å; D1121-S1124 WeakPolarHBondContact O-CB 3.06Å; D1121-S1124 PolarHBondContact O-N 3.37Å; D1121-S1124 PolarHBondContact O-OG 2.72Å; D1122-S1124 VanDerWaalsContact C-N 3.26Å; D1122-S1124 PolarHBondContact O-N 2.97Å; S1124-S1127 WeakPolarHBondContact CA-OG 3.38Å; S1124-S1127 PolarHBondContact O-OG 3.06Å; S1124-S1127 VanDerWaalsContact O-OG 3.07Å; S1124-M1128 WeakPolarHBondContact O-CG 3.34Å; S1124-M1128 PolarHBondContact O-N 2.96Å
1125L44.3Very low47.9Very low65 Ų6588.7 Ų88.734%0.3448%0.479SS..Hα-helixtrans-76.7-41.9-179.6-154.976.9000110.7P1094 D1121 D1122 M1128 I1129P1094-L1125 HydrophobicContact CG-CD1 4.47Å; D1121-L1125 PolarHBondContact O-N 3.43Å; D1121-L1125 VanDerWaalsContact O-N 3.13Å; D1122-L1125 PolarHBondContact O-N 3.17Å; D1122-L1125 VanDerWaalsContact O-N 3.13Å; L1125-M1128 PolarHBondContact O-N 3.2Å; L1125-I1129 HydrophobicContact CD2-CD1 4.32Å; L1125-I1129 HydrophobicContact CG-CD1 4.02Å; L1125-I1129 VanDerWaalsContact O-CB 3.24Å; L1125-I1129 WeakPolarHBondContact O-CB 3.4Å; L1125-I1129 WeakPolarHBondContact O-CD1 3.41Å; L1125-I1129 WeakPolarHBondContact O-CG1 3.27Å; L1125-I1129 PolarHBondContact O-N 2.97Å
1126E48.5Very low50.1Low140 Ų14089.3 Ų89.365%0.65448%0.479SS*.Hα-helixtrans-62.9-41.2173.1-72.3-143.2124.400112.1D1122 I1129 A1130D1122-E1126 PolarHBondContact O-N 3.31Å; E1126-I1129 CarbonylContact O-C 3.47Å; E1126-I1129 PolarHBondContact O-N 3.27Å; E1126-A1130 PolarHBondContact O-N 2.96Å
1127S47.8Very low52.4Low69 Ų6987.4 Ų87.448%0.48347%0.466SS..Hα-helixtrans-66.6-42.2176.8530000112.9E1123 S1124 I1129 A1130E1123-S1127 VanDerWaalsContact O-CB 3.3Å; E1123-S1127 WeakPolarHBondContact O-CB 3.12Å; E1123-S1127 PolarHBondContact O-N 2.97Å; E1123-S1127 VanDerWaalsContact O-N 3.1Å; E1123-S1127 PolarHBondContact O-OG 3.42Å; S1124-S1127 WeakPolarHBondContact CA-OG 3.38Å; S1124-S1127 PolarHBondContact O-OG 3.06Å; S1124-S1127 VanDerWaalsContact O-OG 3.07Å; S1127-I1129 VanDerWaalsContact C-N 3.32Å; S1127-I1129 PolarHBondContact O-N 3.27Å; S1127-A1130 WeakPolarHBondContact O-CB 3.49Å; S1127-A1130 PolarHBondContact O-N 3.31Å
1128M49.9Very low54.7Low126 Ų12681 Ų8162%0.62144%0.436SS*.Hα-helixtrans-61.5-39.8169.2-74.1-163.4-163.200112.3S1124 L1125 A1130 I1132S1124-M1128 WeakPolarHBondContact O-CG 3.34Å; S1124-M1128 PolarHBondContact O-N 2.96Å; L1125-M1128 PolarHBondContact O-N 3.2Å; M1128-A1130 VanDerWaalsContact C-N 3.27Å; M1128-A1130 PolarHBondContact O-N 3.14Å; M1128-I1132 VanDerWaalsContact O-CD1 3.25Å; M1128-I1132 WeakPolarHBondContact O-CD1 3.4Å; M1128-I1132 WeakPolarHBondContact O-CG1 3.49Å
1129I57.4Low56.9Low45 Ų4577.4 Ų77.423%0.23142%0.419CS..Hα-helixtrans-68.7-26179.5-73.8168.2000111.6K1090 L1125 E1126 S1127K1090-I1129 HydrophobicContact CB-CG2 4.2Å; K1090-I1129 HydrophobicContact CD-CG2 4.05Å; K1090-I1129 PolarHBondContact NZ-O 3.32Å; L1125-I1129 HydrophobicContact CD2-CD1 4.32Å; L1125-I1129 HydrophobicContact CG-CD1 4.02Å; L1125-I1129 VanDerWaalsContact O-CB 3.24Å; L1125-I1129 WeakPolarHBondContact O-CB 3.4Å; L1125-I1129 WeakPolarHBondContact O-CD1 3.41Å; L1125-I1129 WeakPolarHBondContact O-CG1 3.27Å; L1125-I1129 PolarHBondContact O-N 2.97Å; E1126-I1129 CarbonylContact O-C 3.47Å; E1126-I1129 PolarHBondContact O-N 3.27Å; S1127-I1129 VanDerWaalsContact C-N 3.32Å; S1127-I1129 PolarHBondContact O-N 3.27Å
1130A58.4Low59.5Low70 Ų7072 Ų7258%0.57939%0.39SS*.Hα-helixtrans-62.4-55.417600000111.9K1090 E1126 S1127 M1128 I1132K1090-A1130 PolarHBondContact NZ-O 3.11Å; E1126-A1130 PolarHBondContact O-N 2.96Å; S1127-A1130 WeakPolarHBondContact O-CB 3.49Å; S1127-A1130 PolarHBondContact O-N 3.31Å; M1128-A1130 VanDerWaalsContact C-N 3.27Å; M1128-A1130 PolarHBondContact O-N 3.14Å; A1130-I1132 VanDerWaalsContact C-N 3.31Å; A1130-I1132 PolarHBondContact O-N 3.01Å
1131E60.9Low62.2Low173 Ų17366.3 Ų66.381%0.80836%0.361SS*.Hα-helixtrans-64.6-29.7-174.3-62.4-166.3153.400114.2T1133E1131-T1133 PolarHBondContact O-N 3.41Å
1132I66.4Low64.7Low21 Ų2161.1 Ų61.111%0.10833%0.333CS..  trans-65.5121.8-174.1-67.4160.5000111K1090 Y1093 M1128 A1130 Q1136 A1137K1090-I1132 WeakPolarHBondContact CE-O 3.45Å; K1090-I1132 PolarHBondContact NZ-O 2.69Å; Y1093-I1132 HydrophobicContact CD1-CD1 3.44Å; Y1093-I1132 VanDerWaalsContact CD1-CD1 3.44Å; Y1093-I1132 HydrophobicContact CD2-CD1 4.42Å; Y1093-I1132 HydrophobicContact CD2-CG2 4.33Å; Y1093-I1132 HydrophobicContact CE1-CD1 3.32Å; Y1093-I1132 HydrophobicContact CE1-CG1 4.37Å; Y1093-I1132 HydrophobicContact CE2-CD1 4.3Å; Y1093-I1132 HydrophobicContact CE2-CG2 4.29Å; Y1093-I1132 HydrophobicContact CG-CD1 3.99Å; M1128-I1132 VanDerWaalsContact O-CD1 3.25Å; M1128-I1132 WeakPolarHBondContact O-CD1 3.4Å; M1128-I1132 WeakPolarHBondContact O-CG1 3.49Å; A1130-I1132 VanDerWaalsContact C-N 3.31Å; A1130-I1132 PolarHBondContact O-N 3.01Å; I1132-Q1136 HydrophobicContact CG2-CB 4.29Å; I1132-A1137 HydrophobicContact CG2-CB 3.88Å
1133T73.7Confident66.9Low63 Ų6364.2 Ų64.239%0.38734%0.343SS..  trans-71.5149.2171.366.50000111.1E1131 A1135 Q1136 A1137E1131-T1133 PolarHBondContact O-N 3.41Å; T1133-A1135 PolarHBondContact O-N 3.33Å; T1133-Q1136 PolarHBondContact O-N 2.93Å; T1133-Q1136 VanDerWaalsContact O-N 3.08Å; T1133-Q1136 WeakPolarHBondContact OG1-CB 3.46Å; T1133-Q1136 VanDerWaalsContact OG1-CG 3.28Å; T1133-Q1136 WeakPolarHBondContact OG1-CG 3.48Å; T1133-Q1136 PolarHBondContact OG1-N 2.94Å; T1133-Q1136 VanDerWaalsContact OG1-N 3.15Å; T1133-Q1136 PolarHBondContact OG1-OE1 2.95Å; T1133-A1137 PolarHBondContact O-N 3.22Å; T1133-A1137 VanDerWaalsContact O-N 3.12Å
1134P72.4Confident69.2Low34 Ų3456.2 Ų56.222%0.22131%0.306CS..Hα-helixtrans-60.2-31174.524.2-33.9000112.7H1086 A1137 L1138H1086-P1134 HydrophobicContact CB-CB 3.8Å; H1086-P1134 WeakPolarHBondContact CD2-CB 3.16Å; P1134-A1137 PolarHBondContact O-N 3.35Å; P1134-L1138 WeakPolarHBondContact O-CB 3.41Å; P1134-L1138 PolarHBondContact O-N 3.44Å
1135A74Confident71.2Confident21 Ų2153.7 Ų53.717%0.17429%0.288CS..Hα-helixtrans-61.9-41.6174.200000112.3T1133 S1139T1133-A1135 PolarHBondContact O-N 3.33Å; A1135-S1139 VanDerWaalsContact O-CB 3.24Å; A1135-S1139 WeakPolarHBondContact O-CB 3.38Å; A1135-S1139 PolarHBondContact O-N 3.31Å; A1135-S1139 VanDerWaalsContact O-N 3.13Å; A1135-S1139 PolarHBondContact O-OG 3.16Å
1136Q77.8Confident73.2Confident102 Ų10253.6 Ų53.648%0.47729%0.285SS..Hα-helixtrans-66.7-49.1174.3-75.4155.8-39.800111.5I1132 T1133 L1138 S1139 T1140I1132-Q1136 HydrophobicContact CG2-CB 4.29Å; T1133-Q1136 PolarHBondContact O-N 2.93Å; T1133-Q1136 VanDerWaalsContact O-N 3.08Å; T1133-Q1136 WeakPolarHBondContact OG1-CB 3.46Å; T1133-Q1136 VanDerWaalsContact OG1-CG 3.28Å; T1133-Q1136 WeakPolarHBondContact OG1-CG 3.48Å; T1133-Q1136 PolarHBondContact OG1-N 2.94Å; T1133-Q1136 VanDerWaalsContact OG1-N 3.15Å; T1133-Q1136 PolarHBondContact OG1-OE1 2.95Å; Q1136-L1138 PolarHBondContact O-N 2.89Å; Q1136-S1139 CarbonylContact O-C 3.57Å; Q1136-S1139 WeakPolarHBondContact O-CA 3.48Å; Q1136-S1139 WeakPolarHBondContact O-CB 3.43Å; Q1136-S1139 PolarHBondContact O-N 2.92Å; Q1136-T1140 PolarHBondContact O-N 3.45Å
1137A79.5Confident74.9Confident0 Ų049.5 Ų49.50%027%0.272CS..Hα-helixtrans-65.2-35.4-176.600000113.7C1089 Y1093 I1132 T1133 P1134 S1139 T1140 F1141C1089-A1137 HydrophobicContact CB-CB 4.12Å; Y1093-A1137 HydrophobicContact CD2-CB 3.83Å; I1132-A1137 HydrophobicContact CG2-CB 3.88Å; T1133-A1137 PolarHBondContact O-N 3.22Å; T1133-A1137 VanDerWaalsContact O-N 3.12Å; P1134-A1137 PolarHBondContact O-N 3.35Å; A1137-S1139 VanDerWaalsContact C-N 3.34Å; A1137-T1140 PolarHBondContact O-OG1 3.22Å; A1137-F1141 PolarHBondContact O-N 2.96Å
1138L83.8Confident76.7Confident0 Ų046.2 Ų46.20%025%0.249CC..Hα-helixtrans-73.4-31.1172.9-161150.4000111.1L1085 P1134 Q1136 F1141 I1142 L1187 A1190 R1191 I1194L1085-L1138 HydrophobicContact CD2-CD1 3.64Å; L1085-L1138 HydrophobicContact CG-CD1 4.22Å; P1134-L1138 WeakPolarHBondContact O-CB 3.41Å; P1134-L1138 PolarHBondContact O-N 3.44Å; Q1136-L1138 PolarHBondContact O-N 2.89Å; L1138-F1141 PolarHBondContact O-N 3Å; L1138-I1142 HydrophobicContact CD2-CD1 3.6Å; L1138-I1142 HydrophobicContact CD2-CG1 4.15Å; L1138-I1142 WeakPolarHBondContact O-CG1 3.35Å; L1138-I1142 PolarHBondContact O-N 2.97Å; L1138-L1187 WeakPolarHBondContact CD2-O 3.3Å; L1138-A1190 HydrophobicContact CD1-CB 3.98Å; L1138-R1191 HydrophobicContact CD2-CB 3.78Å; L1138-I1194 HydrophobicContact CD1-CD1 4.07Å
1139S83.2Confident78.1Confident29 Ų2940.2 Ų40.220%0.20322%0.219CC..Hα-helixtrans-70.5-33.8175.5-61.10000113.6A1135 Q1136 A1137 I1142 K1143A1135-S1139 VanDerWaalsContact O-CB 3.24Å; A1135-S1139 WeakPolarHBondContact O-CB 3.38Å; A1135-S1139 PolarHBondContact O-N 3.31Å; A1135-S1139 VanDerWaalsContact O-N 3.13Å; A1135-S1139 PolarHBondContact O-OG 3.16Å; Q1136-S1139 CarbonylContact O-C 3.57Å; Q1136-S1139 WeakPolarHBondContact O-CA 3.48Å; Q1136-S1139 WeakPolarHBondContact O-CB 3.43Å; Q1136-S1139 PolarHBondContact O-N 2.92Å; A1137-S1139 VanDerWaalsContact C-N 3.34Å; S1139-I1142 PolarHBondContact O-N 3.09Å; S1139-K1143 WeakPolarHBondContact O-CG 3.47Å; S1139-K1143 PolarHBondContact O-N 2.85Å
1140T83.8Confident79.1Confident11 Ų1140.2 Ų40.27%0.06722%0.221CC..Hα-helixtrans-66.2-43.1171.5500000111.2Y1093 T1096 Q1136 A1137 I1142 K1143 L1144Y1093-T1140 HydrophobicContact CD2-CG2 4.43Å; Y1093-T1140 HydrophobicContact CE2-CG2 3.66Å; T1096-T1140 PolarHBondContact OG1-OG1 3.47Å; Q1136-T1140 PolarHBondContact O-N 3.45Å; A1137-T1140 PolarHBondContact O-OG1 3.22Å; T1140-I1142 VanDerWaalsContact C-N 3.33Å; T1140-I1142 PolarHBondContact O-N 2.81Å; T1140-K1143 WeakPolarHBondContact O-CB 3.39Å; T1140-K1143 PolarHBondContact O-N 2.66Å; T1140-L1144 PolarHBondContact O-N 2.86Å
1141F88Confident79.9Confident0 Ų040.3 Ų40.30%021%0.209CC..Hα-helixtrans-62.7-38175.3-169.9-127.4000112.7I1007 I1069 M1073 I1092 T1096 A1137 L1138 L1144 V1145 L1187I1007-F1141 HydrophobicContact CD1-CE2 4.06Å; I1069-F1141 HydrophobicContact CG2-CZ 3.91Å; M1073-F1141 HydrophobicContact CE-CD1 4.14Å; M1073-F1141 HydrophobicContact CE-CE1 3.97Å; M1073-F1141 HydrophobicContact CG-CE1 3.93Å; M1073-F1141 HydrophobicContact CG-CZ 4.38Å; M1073-F1141 HydrophobicContact SD-CE1 4.25Å; I1092-F1141 HydrophobicContact CD1-CD2 4.37Å; I1092-F1141 HydrophobicContact CD1-CG 4.36Å; T1096-F1141 HydrophobicContact CG2-CB 4.07Å; T1096-F1141 HydrophobicContact CG2-CD2 3.67Å; T1096-F1141 HydrophobicContact CG2-CG 4.24Å; A1137-F1141 PolarHBondContact O-N 2.96Å; L1138-F1141 PolarHBondContact O-N 3Å; F1141-L1144 HydrophobicContact CD2-CD2 4.37Å; F1141-L1144 PolarHBondContact O-N 3.05Å; F1141-V1145 HydrophobicContact CE1-CG2 4.39Å; F1141-V1145 HydrophobicContact CE2-CG2 4.17Å; F1141-V1145 HydrophobicContact CZ-CG2 4.1Å; F1141-V1145 WeakPolarHBondContact O-CG2 3.48Å; F1141-V1145 PolarHBondContact O-N 2.89Å; F1141-L1187 HydrophobicContact CD1-CD1 3.6Å; F1141-L1187 HydrophobicContact CD1-CD2 3.79Å; F1141-L1187 HydrophobicContact CD1-CG 4.36Å; F1141-L1187 HydrophobicContact CE1-CD1 3.55Å; F1141-L1187 HydrophobicContact CE1-CD2 3.89Å; F1141-L1187 HydrophobicContact CE1-CG 4.35Å
1142I85.7Confident80.5Confident6 Ų633.6 Ų33.63%0.03118%0.179CC..Hα-helixtrans-60.7-42.8170.3-74174.1000111.6L1138 S1139 T1140 L1144 V1145 K1146 L1184 L1187 R1191 V1215L1138-I1142 HydrophobicContact CD2-CD1 3.6Å; L1138-I1142 HydrophobicContact CD2-CG1 4.15Å; L1138-I1142 WeakPolarHBondContact O-CG1 3.35Å; L1138-I1142 PolarHBondContact O-N 2.97Å; S1139-I1142 PolarHBondContact O-N 3.09Å; T1140-I1142 VanDerWaalsContact C-N 3.33Å; T1140-I1142 PolarHBondContact O-N 2.81Å; I1142-L1144 VanDerWaalsContact C-N 3.32Å; I1142-L1144 PolarHBondContact O-N 2.86Å; I1142-V1145 PolarHBondContact O-N 3.15Å; I1142-K1146 VanDerWaalsContact O-CB 3.23Å; I1142-K1146 WeakPolarHBondContact O-CB 3.38Å; I1142-K1146 PolarHBondContact O-N 3.48Å; I1142-L1184 HydrophobicContact CG2-CD1 4.17Å; I1142-L1187 HydrophobicContact CD1-CB 4.12Å; I1142-L1187 HydrophobicContact CG1-CB 3.79Å; I1142-L1187 HydrophobicContact CG1-CD1 4.45Å; I1142-R1191 HydrophobicContact CD1-CB 4.15Å; I1142-V1215 HydrophobicContact CG2-CG2 3.79Å
1143K86Confident80.5Confident142 Ų14234.2 Ų34.262%0.61718%0.183SC*.Hα-helixtrans-58.9-42.3174.9-69172.4-173.1175.60111.6S1139 T1140 K1146 S1147S1139-K1143 WeakPolarHBondContact O-CG 3.47Å; S1139-K1143 PolarHBondContact O-N 2.85Å; T1140-K1143 WeakPolarHBondContact O-CB 3.39Å; T1140-K1143 PolarHBondContact O-N 2.66Å; K1143-K1146 WeakPolarHBondContact O-CB 3.34Å; K1143-K1146 PolarHBondContact O-N 3.36Å; K1143-S1147 PolarHBondContact O-N 2.91Å
1144L87.9Confident80.1Confident10 Ų1035.7 Ų35.75%0.05219%0.188CC..Hα-helixtrans-64.2-49.6179.8-175.864.2000111.9I1007 H1011 P1099 T1140 F1141 I1142 K1146 S1147 W1148I1007-L1144 HydrophobicContact CG2-CD2 3.72Å; H1011-L1144 WeakPolarHBondContact ND1-CD1 3.46Å; P1099-L1144 HydrophobicContact CB-CD1 3.96Å; P1099-L1144 HydrophobicContact CG-CD1 3.97Å; T1140-L1144 PolarHBondContact O-N 2.86Å; F1141-L1144 HydrophobicContact CD2-CD2 4.37Å; F1141-L1144 PolarHBondContact O-N 3.05Å; I1142-L1144 VanDerWaalsContact C-N 3.32Å; I1142-L1144 PolarHBondContact O-N 2.86Å; L1144-K1146 VanDerWaalsContact C-N 3.31Å; L1144-K1146 PolarHBondContact O-N 2.89Å; L1144-S1147 WeakPolarHBondContact O-CB 3.48Å; L1144-S1147 PolarHBondContact O-N 2.92Å; L1144-W1148 HydrophobicContact CD1-CZ2 4.21Å; L1144-W1148 HydrophobicContact CD2-CH2 3.91Å; L1144-W1148 HydrophobicContact CD2-CZ2 3.79Å; L1144-W1148 HydrophobicContact CG-CD2 4.45Å; L1144-W1148 HydrophobicContact CG-CH2 4.13Å; L1144-W1148 HydrophobicContact CG-CZ2 3.8Å; L1144-W1148 PolarHBondContact O-N 3.5Å
1145V86.7Confident79.2Confident0 Ų038 Ų380%020%0.203CC..Hα-helixtrans-62.7-38.7176.7177.50000111.1F1141 I1142 S1147 W1148 V1149 L1180 L1184 L1187F1141-V1145 HydrophobicContact CE1-CG2 4.39Å; F1141-V1145 HydrophobicContact CE2-CG2 4.17Å; F1141-V1145 HydrophobicContact CZ-CG2 4.1Å; F1141-V1145 WeakPolarHBondContact O-CG2 3.48Å; F1141-V1145 PolarHBondContact O-N 2.89Å; I1142-V1145 PolarHBondContact O-N 3.15Å; V1145-S1147 VanDerWaalsContact C-N 3.33Å; V1145-S1147 PolarHBondContact O-N 3.28Å; V1145-W1148 HydrophobicContact CB-CE3 4.47Å; V1145-W1148 HydrophobicContact CG2-CE3 4.09Å; V1145-W1148 HydrophobicContact CG2-CZ3 4.03Å; V1145-W1148 PolarHBondContact O-N 2.83Å; V1145-V1149 WeakPolarHBondContact O-CG2 3.49Å; V1145-V1149 PolarHBondContact O-N 3.38Å; V1145-L1180 HydrophobicContact CG1-CD2 4.18Å; V1145-L1184 HydrophobicContact CB-CD1 4.27Å; V1145-L1184 HydrophobicContact CG1-CB 4.11Å; V1145-L1184 HydrophobicContact CG1-CD1 4Å; V1145-L1187 HydrophobicContact CG2-CD1 4.13Å
1146K85.7Confident77.6Confident63 Ų6341.3 Ų41.327%0.27423%0.231SC..Hα-helixtrans-58.4-41170.6154.5170174.5171.50112.4I1142 K1143 L1144 T1150 W1218I1142-K1146 VanDerWaalsContact O-CB 3.23Å; I1142-K1146 WeakPolarHBondContact O-CB 3.38Å; I1142-K1146 PolarHBondContact O-N 3.48Å; K1143-K1146 WeakPolarHBondContact O-CB 3.34Å; K1143-K1146 PolarHBondContact O-N 3.36Å; L1144-K1146 VanDerWaalsContact C-N 3.31Å; L1144-K1146 PolarHBondContact O-N 2.89Å; K1146-T1150 WeakPolarHBondContact O-CB 3.39Å; K1146-T1150 PolarHBondContact O-N 3.44Å; K1146-T1150 PolarHBondContact O-OG1 3.43Å; K1146-W1218 HydrophobicContact CB-CH2 4.15Å; K1146-W1218 HydrophobicContact CB-CZ2 4.18Å; K1146-W1218 HydrophobicContact CB-CZ3 4.4Å; K1146-W1218 HydrophobicContact CD-CB 4.47Å; K1146-W1218 HydrophobicContact CD-CD2 3.67Å; K1146-W1218 HydrophobicContact CD-CE3 4.09Å; K1146-W1218 HydrophobicContact CD-CG 3.84Å; K1146-W1218 HydrophobicContact CD-CZ2 4.44Å; K1146-W1218 VanDerWaalsContact CE-CG 3.41Å; K1146-W1218 HydrophobicContact CG-CD2 3.91Å; K1146-W1218 HydrophobicContact CG-CE3 4.31Å; K1146-W1218 HydrophobicContact CG-CG 4.45Å; K1146-W1218 HydrophobicContact CG-CH2 4.16Å; K1146-W1218 HydrophobicContact CG-CZ2 3.74Å; K1146-W1218 HydrophobicContact CG-CZ3 4.44Å; K1146-W1218 VanDerWaalsContact NZ-CG 3.34Å
1147S84.1Confident75.8Confident54 Ų5439.3 Ų39.338%0.37824%0.238SC..Hα-helixtrans-63.6-48.1177.1-172.50000111.3K1143 L1144 V1145 V1149 T1150 K1151K1143-S1147 PolarHBondContact O-N 2.91Å; L1144-S1147 WeakPolarHBondContact O-CB 3.48Å; L1144-S1147 PolarHBondContact O-N 2.92Å; V1145-S1147 VanDerWaalsContact C-N 3.33Å; V1145-S1147 PolarHBondContact O-N 3.28Å; S1147-V1149 PolarHBondContact O-N 3.24Å; S1147-T1150 PolarHBondContact O-N 3.47Å; S1147-T1150 VanDerWaalsContact O-N 3.12Å; S1147-K1151 PolarHBondContact O-N 3.47Å
1148W85.6Confident73.7Confident0 Ų044.4 Ų44.40%028%0.28CS..Hα-helixtrans-56.8-48.2174.7-64.8-27.8000112.6I1007 Y1010 H1011 I1014 I1069 L1144 V1145 T1150 K1151 V1152 L1180I1007-W1148 HydrophobicContact CG2-CH2 4.1Å; I1007-W1148 HydrophobicContact CG2-CZ2 4.13Å; Y1010-W1148 HydrophobicContact CD1-CD2 4.03Å; Y1010-W1148 AromaticContact CD1-CE2 3.99Å; Y1010-W1148 HydrophobicContact CD1-CE3 4.02Å; Y1010-W1148 HydrophobicContact CD1-CH2 4Å; Y1010-W1148 AromaticContact CD1-CZ2 3.99Å; Y1010-W1148 HydrophobicContact CD1-CZ2 3.99Å; Y1010-W1148 HydrophobicContact CD1-CZ3 4.02Å; Y1010-W1148 HydrophobicContact CE1-CD2 4.05Å; Y1010-W1148 AromaticContact CE1-CE3 3.98Å; Y1010-W1148 HydrophobicContact CE1-CE3 3.98Å; Y1010-W1148 HydrophobicContact CE1-CG 4.46Å; Y1010-W1148 HydrophobicContact CE1-CZ3 4.35Å; H1011-W1148 HydrophobicContact CB-CZ2 4.22Å; H1011-W1148 AromaticContact CE1-NE1 3.96Å; H1011-W1148 AromaticContact CG-NE1 3.7Å; H1011-W1148 AromaticContact ND1-CD1 3.98Å; H1011-W1148 AromaticContact ND1-CE2 3.92Å; H1011-W1148 AromaticContact ND1-NE1 3.07Å; H1011-W1148 PolarHBondContact ND1-NE1 3.3Å; I1014-W1148 HydrophobicContact CD1-CB 3.87Å; I1014-W1148 HydrophobicContact CD1-CD2 4.34Å; I1014-W1148 HydrophobicContact CD1-CG 3.69Å; I1069-W1148 HydrophobicContact CD1-CH2 4.23Å; I1069-W1148 HydrophobicContact CD1-CZ3 4.49Å; L1144-W1148 HydrophobicContact CD1-CZ2 4.21Å; L1144-W1148 HydrophobicContact CD2-CH2 3.91Å; L1144-W1148 HydrophobicContact CD2-CZ2 3.79Å; L1144-W1148 HydrophobicContact CG-CD2 4.45Å; L1144-W1148 HydrophobicContact CG-CH2 4.13Å; L1144-W1148 HydrophobicContact CG-CZ2 3.8Å; L1144-W1148 PolarHBondContact O-N 3.5Å; V1145-W1148 HydrophobicContact CB-CE3 4.47Å; V1145-W1148 HydrophobicContact CG2-CE3 4.09Å; V1145-W1148 HydrophobicContact CG2-CZ3 4.03Å; V1145-W1148 PolarHBondContact O-N 2.83Å; W1148-T1150 VanDerWaalsContact C-N 3.32Å; W1148-T1150 PolarHBondContact O-N 3.36Å; W1148-K1151 PolarHBondContact O-N 2.92Å; W1148-V1152 VanDerWaalsContact O-CG2 3.31Å; W1148-V1152 WeakPolarHBondContact O-CG2 3.21Å; W1148-V1152 PolarHBondContact O-N 3.18Å; W1148-L1180 HydrophobicContact CB-CD1 4.46Å; W1148-L1180 HydrophobicContact CB-CD2 4.32Å; W1148-L1180 HydrophobicContact CE3-CD2 3.9Å
1149V79.4Confident71.2Confident0 Ų048.1 Ų48.10%031%0.31CS..Hα-helixtrans-61-40.9176172.30000111.1V1145 S1147 V1152 L1153 L1177 L1180 L1181 W1218 L1222V1145-V1149 WeakPolarHBondContact O-CG2 3.49Å; V1145-V1149 PolarHBondContact O-N 3.38Å; S1147-V1149 PolarHBondContact O-N 3.24Å; V1149-V1152 PolarHBondContact O-N 2.91Å; V1149-L1153 HydrophobicContact CG1-CD1 3.64Å; V1149-L1153 HydrophobicContact CG1-CG 4.47Å; V1149-L1153 WeakPolarHBondContact O-CB 3.28Å; V1149-L1153 WeakPolarHBondContact O-CD1 3.38Å; V1149-L1153 WeakPolarHBondContact O-CG 3.44Å; V1149-L1153 PolarHBondContact O-N 2.93Å; V1149-L1177 HydrophobicContact CG1-CD2 4.43Å; V1149-L1180 HydrophobicContact CG2-CB 3.85Å; V1149-L1180 HydrophobicContact CG2-CD1 4.18Å; V1149-L1180 HydrophobicContact CG2-CG 4.45Å; V1149-L1181 HydrophobicContact CG1-CD2 4.1Å; V1149-L1181 HydrophobicContact CG2-CD2 4.32Å; V1149-W1218 HydrophobicContact CB-CH2 4.1Å; V1149-W1218 HydrophobicContact CB-CZ2 4.33Å; V1149-W1218 HydrophobicContact CG1-CH2 3.83Å; V1149-W1218 HydrophobicContact CG1-CZ2 4.11Å; V1149-L1222 HydrophobicContact CG1-CD1 4.4Å
1150T77.6Confident68.6Low45 Ų4554.5 Ų54.528%0.27634%0.342SS..Hα-helixtrans-64.1-46179-53.50000111.9K1146 S1147 W1148 L1153 N1154 W1218K1146-T1150 WeakPolarHBondContact O-CB 3.39Å; K1146-T1150 PolarHBondContact O-N 3.44Å; K1146-T1150 PolarHBondContact O-OG1 3.43Å; S1147-T1150 PolarHBondContact O-N 3.47Å; S1147-T1150 VanDerWaalsContact O-N 3.12Å; W1148-T1150 VanDerWaalsContact C-N 3.32Å; W1148-T1150 PolarHBondContact O-N 3.36Å; T1150-L1153 PolarHBondContact O-N 3.22Å; T1150-N1154 PolarHBondContact O-N 3.3Å; T1150-W1218 WeakPolarHBondContact OG1-CZ2 3.29Å; T1150-W1218 PolarHBondContact OG1-NE1 3.39Å
1151K76Confident66.1Low73 Ų7360 Ų6032%0.31738%0.381SS..Hα-helixtrans-70.4-30.5-179.9-176.1160.6174.6157.40113.4I1014 M1015 S1147 W1148 L1153I1014-K1151 HydrophobicContact CG2-CB 4.39Å; I1014-K1151 HydrophobicContact CG2-CD 4.15Å; I1014-K1151 HydrophobicContact CG2-CG 4.24Å; M1015-K1151 HydrophobicContact CE-CD 4.17Å; M1015-K1151 PolarHBondContact O-NZ 3.32Å; M1015-K1151 HydrophobicContact SD-CD 3.45Å; M1015-K1151 WeakPolarHBondContact SD-CD 3.49Å; S1147-K1151 PolarHBondContact O-N 3.47Å; W1148-K1151 PolarHBondContact O-N 2.92Å; K1151-L1153 VanDerWaalsContact C-N 3.25Å; K1151-L1153 PolarHBondContact O-N 2.92Å
1152V73.3Confident63.3Low31 Ų3164.9 Ų64.919%0.18842%0.416CS..Hα-helixtrans-71.3-21.1173.1174.40000112.2W1148 V1149 H1173 L1177W1148-V1152 VanDerWaalsContact O-CG2 3.31Å; W1148-V1152 WeakPolarHBondContact O-CG2 3.21Å; W1148-V1152 PolarHBondContact O-N 3.18Å; V1149-V1152 PolarHBondContact O-N 2.91Å; V1152-H1173 HydrophobicContact CG2-CB 4.33Å; V1152-L1177 HydrophobicContact CB-CD2 4.3Å; V1152-L1177 HydrophobicContact CG1-CD1 4.09Å; V1152-L1177 HydrophobicContact CG1-CD2 3.82Å; V1152-L1177 HydrophobicContact CG1-CG 3.77Å
1153L67.4Low60.6Low34 Ų3470.9 Ų70.918%0.17845%0.452CS..Hα-helixtrans-96.4-35.9179.5-65.9172.2000113.6V1149 T1150 K1151 P1155 L1177 L1222 L1241V1149-L1153 HydrophobicContact CG1-CD1 3.64Å; V1149-L1153 HydrophobicContact CG1-CG 4.47Å; V1149-L1153 WeakPolarHBondContact O-CB 3.28Å; V1149-L1153 WeakPolarHBondContact O-CD1 3.38Å; V1149-L1153 WeakPolarHBondContact O-CG 3.44Å; V1149-L1153 PolarHBondContact O-N 2.93Å; T1150-L1153 PolarHBondContact O-N 3.22Å; K1151-L1153 VanDerWaalsContact C-N 3.25Å; K1151-L1153 PolarHBondContact O-N 2.92Å; L1153-P1155 VanDerWaalsContact O-CD 3.27Å; L1153-P1155 WeakPolarHBondContact O-CD 3.43Å; L1153-L1177 HydrophobicContact CD2-CD1 3.87Å; L1153-L1177 HydrophobicContact CD2-CD2 4.45Å; L1153-L1222 HydrophobicContact CB-CD2 4.49Å; L1153-L1222 HydrophobicContact CD1-CD1 3.97Å; L1153-L1222 HydrophobicContact CD1-CD2 3.59Å; L1153-L1222 HydrophobicContact CD1-CG 4.47Å; L1153-L1241 HydrophobicContact CD2-CD1 3.66Å; L1153-L1241 HydrophobicContact CD2-CD2 4Å; L1153-L1241 HydrophobicContact CD2-CG 4.08Å
1154N64.5Low57.9Low94 Ų9472.9 Ų72.950%0.50346%0.464SS..  trans-116.982.7-178.7-74.16.8000112.4T1150 A1156T1150-N1154 PolarHBondContact O-N 3.3Å; N1154-A1156 PolarHBondContact O-N 2.95Å
1155P54Low55Low82 Ų8282.3 Ų82.353%0.53251%0.505SS..  trans-78.658.717334.6-36.5000111.6L1153 G1157 F1171L1153-P1155 VanDerWaalsContact O-CD 3.27Å; L1153-P1155 WeakPolarHBondContact O-CD 3.43Å; P1155-G1157 PolarHBondContact O-N 2.9Å; P1155-F1171 HydrophobicContact CB-CE1 3.8Å; P1155-F1171 HydrophobicContact CB-CZ 3.85Å; P1155-F1171 HydrophobicContact CG-CE1 4Å; P1155-F1171 HydrophobicContact CG-CZ 3.71Å
1156A40.7Very low52.2Low91 Ų9188.2 Ų88.275%0.75254%0.535SS*.  trans-101.451.9-167.500000114.1N1154N1154-A1156 PolarHBondContact O-N 2.95Å
1157G39.8Very low49.4Very low61 Ų6191 Ų9163%0.62956%0.558SS**  trans-87.2-17.117200000114.5P1155 A1159P1155-G1157 PolarHBondContact O-N 2.9Å; G1157-A1159 PolarHBondContact O-N 3.01Å
1158A35.2Very low46.8Very low106 Ų10692.8 Ų92.888%0.87658%0.576SS**  trans-95.758.4-169.400000113.9
1159A30.3Very low44.2Very low78 Ų7897.9 Ų97.965%0.64561%0.607SS**  trans-86.5150.2156.900000109.4G1157G1157-A1159 PolarHBondContact O-N 3.01Å
1160N29.4Very low42.4Very low163 Ų163102.8 Ų102.887%0.87263%0.633SS**SBendtrans72.665.9175.6-49.7-22.7000117.3
1161S30.4Very low41.1Very low126 Ų126106.3 Ų106.388%0.88165%0.645SS**  trans-162.9147.5136.538.20000111.5
1162S29.6Very low40.1Very low104 Ų104107 Ų10773%0.72766%0.657SS**  trans-87.4147.7-176.744.10000112.9
1163T28.8Very low39.8Very low131 Ų131106.8 Ų106.880%0.80465%0.654SS**  trans51.374.3153.951.60000117.7
1164Q30.2Very low39.5Very low185 Ų185107 Ų10786%0.86466%0.66SS**  trans-148.6148.5151.3-115.6166.965.300112.8L1166Q1164-L1166 PolarHBondContact O-N 3.38Å
1165K27.1Very low39.6Very low207 Ų207109.1 Ų109.190%0.967%0.665SS**  trans-83.693.1-169.9-69177.1177.2176.50111.8T1167K1165-T1167 PolarHBondContact O-N 2.73Å
1166L27.6Very low40.6Very low124 Ų124105.3 Ų105.365%0.64964%0.64SS**  trans-72.2113.9169.3-85.483.1000111.7Q1164 R1230Q1164-L1166 PolarHBondContact O-N 3.38Å; L1166-R1230 PolarHBondContact O-NH1 3.43Å; L1166-R1230 PolarHBondContact O-NH2 3.4Å
1167T27.6Very low42.2Very low122 Ų122101.1 Ų101.175%0.74861%0.605SS**  trans-76.8178.6166.546.10000111.2K1165 V1169K1165-T1167 PolarHBondContact O-N 2.73Å; T1167-V1169 PolarHBondContact O-N 3.21Å
1168A28.4Very low43.6Very low92 Ų92101.6 Ų101.676%0.7660%0.595SS**  trans-65121.2-162.900000115
1169V31.9Very low45.6Very low106 Ų10697.9 Ų97.964%0.64256%0.561SS**  trans-106.2113.2168.8-179.50000109.3T1167 F1171T1167-V1169 PolarHBondContact O-N 3.21Å; V1169-F1171 PolarHBondContact O-N 3.46Å
1170N39.9Very low47.9Very low103 Ų10394.2 Ų94.255%0.55153%0.53SS*.  trans-77.1111.2176.4-86.9-77.7000110.6P1172 T1238N1170-P1172 VanDerWaalsContact O-CD 3.28Å; N1170-P1172 WeakPolarHBondContact O-CD 3.44Å; N1170-T1238 WeakPolarHBondContact OD1-CG2 3.35Å
1171F51.5Low50.1Low120 Ų12086.5 Ų86.553%0.52649%0.489SS..  trans-71.1114.3175.5-80.7-88.5000111.8P1155 V1169 H1173P1155-F1171 HydrophobicContact CB-CE1 3.8Å; P1155-F1171 HydrophobicContact CB-CZ 3.85Å; P1155-F1171 HydrophobicContact CG-CE1 4Å; P1155-F1171 HydrophobicContact CG-CZ 3.71Å; V1169-F1171 PolarHBondContact O-N 3.46Å; F1171-H1173 VanDerWaalsContact C-N 3.35Å; F1171-H1173 PolarHBondContact O-N 3.4Å
1172P55.6Low52.2Low86 Ų8682 Ų8256%0.55846%0.456SS*.G310 helixtrans-71.2-28.1-17427.1-33.6000113.4N1170N1170-P1172 VanDerWaalsContact O-CD 3.28Å; N1170-P1172 WeakPolarHBondContact O-CD 3.44Å
1173H65Low54.6Low28 Ų2877 Ų7713%0.1342%0.422CS..G310 helixtrans-85.7-4.7-173.9-66.9-71000115.3S1062 V1152 F1171 K1175 D1176S1062-H1173 PolarHBondContact OG-CE1 3.45Å; V1152-H1173 HydrophobicContact CG2-CB 4.33Å; F1171-H1173 VanDerWaalsContact C-N 3.35Å; F1171-H1173 PolarHBondContact O-N 3.4Å; H1173-K1175 PolarHBondContact O-N 3.06Å; H1173-D1176 IonicContact CE1-OD2 3.88Å; H1173-D1176 IonicContact CG-OD2 2.78Å; H1173-D1176 IonicContact ND1-OD2 2.71Å; H1173-D1176 PolarHBondContact ND1-OD2 2.88Å; H1173-D1176 WeakPolarHBondContact O-CB 3.46Å; H1173-D1176 PolarHBondContact O-N 2.94Å
1174A61.4Low57.2Low37 Ų3770.8 Ų70.831%0.30638%0.383SS..G310 helixtrans-59.2-21.5179.800000113.5
1175K67.3Low59.2Low140 Ų14063 Ų6361%0.60935%0.349SS*.G310 helixtrans-74.3-29.6173.2-64176.9-175.9171.10113.4H1173 L1177 V1178H1173-K1175 PolarHBondContact O-N 3.06Å; K1175-L1177 PolarHBondContact O-N 3.34Å; K1175-V1178 WeakPolarHBondContact O-CB 3.46Å; K1175-V1178 WeakPolarHBondContact O-CG2 3.14Å; K1175-V1178 PolarHBondContact O-N 3.31Å
1176D75.8Confident61.5Low1 Ų155.4 Ų55.41%0.00532%0.315CS..THydrogen-bonded Turntrans-68.2-24.3-176.1-71-16.7000111.8Y1010 S1063 L1066 H1173 V1178 I1179 L1180Y1010-D1176 WeakPolarHBondContact OH-CB 3.28Å; Y1010-D1176 PolarHBondContact OH-OD2 2.63Å; S1063-D1176 WeakPolarHBondContact CA-OD1 3.38Å; S1063-D1176 VanDerWaalsContact CB-OD1 3.23Å; S1063-D1176 WeakPolarHBondContact CB-OD1 3.38Å; S1063-D1176 PolarHBondContact OG-OD1 3.15Å; L1066-D1176 HydrophobicContact CD2-CB 3.65Å; L1066-D1176 WeakPolarHBondContact CD2-O 3.35Å; H1173-D1176 IonicContact CE1-OD2 3.88Å; H1173-D1176 IonicContact CG-OD2 2.78Å; H1173-D1176 IonicContact ND1-OD2 2.71Å; H1173-D1176 PolarHBondContact ND1-OD2 2.88Å; H1173-D1176 WeakPolarHBondContact O-CB 3.46Å; H1173-D1176 PolarHBondContact O-N 2.94Å; D1176-V1178 PolarHBondContact O-N 3.22Å; D1176-V1178 VanDerWaalsContact O-N 3.15Å; D1176-I1179 PolarHBondContact O-N 2.9Å; D1176-L1180 PolarHBondContact O-N 3.43Å
1177L72.4Confident64Low4 Ų449.5 Ų49.52%0.02128%0.284CS..Hα-helixtrans-54-31.3171.8-69.8175.7000113.3V1149 V1152 L1153 K1175 I1179 L1181 L1241V1149-L1177 HydrophobicContact CG1-CD2 4.43Å; V1152-L1177 HydrophobicContact CB-CD2 4.3Å; V1152-L1177 HydrophobicContact CG1-CD1 4.09Å; V1152-L1177 HydrophobicContact CG1-CD2 3.82Å; V1152-L1177 HydrophobicContact CG1-CG 3.77Å; L1153-L1177 HydrophobicContact CD2-CD1 3.87Å; L1153-L1177 HydrophobicContact CD2-CD2 4.45Å; K1175-L1177 PolarHBondContact O-N 3.34Å; L1177-I1179 PolarHBondContact O-N 2.79Å; L1177-L1181 HydrophobicContact CB-CD1 4.42Å; L1177-L1181 WeakPolarHBondContact O-CB 3.49Å; L1177-L1181 WeakPolarHBondContact O-CG 3.31Å; L1177-L1181 PolarHBondContact O-N 2.99Å; L1177-L1181 VanDerWaalsContact O-N 3.08Å; L1177-L1241 HydrophobicContact CD1-CG 4.24Å
1178V70.4Confident66.4Low70 Ų7043.7 Ų43.742%0.42425%0.249SC..Hα-helixtrans-65.6-19.5179.2-1770000112.2K1175 D1176 P1182K1175-V1178 WeakPolarHBondContact O-CB 3.46Å; K1175-V1178 WeakPolarHBondContact O-CG2 3.14Å; K1175-V1178 PolarHBondContact O-N 3.31Å; D1176-V1178 PolarHBondContact O-N 3.22Å; D1176-V1178 VanDerWaalsContact O-N 3.15Å; V1178-P1182 VanDerWaalsContact O-CD 3.26Å; V1178-P1182 WeakPolarHBondContact O-CD 3.4Å; V1178-P1182 WeakPolarHBondContact O-CG 3.47Å
1179I76.2Confident68.5Low29 Ų2943.9 Ų43.915%0.14923%0.23CC..Hα-helixtrans-107.3-40.1176.2-56.6164000110.8L1066 Q1067 N1070 D1176 L1177 L1181 P1182 L1183L1066-I1179 HydrophobicContact CD1-CG2 4.33Å; L1066-I1179 HydrophobicContact CD2-CB 3.75Å; L1066-I1179 HydrophobicContact CD2-CD1 4.33Å; L1066-I1179 HydrophobicContact CD2-CG2 4.1Å; L1066-I1179 HydrophobicContact CG-CB 4Å; L1066-I1179 HydrophobicContact CG-CD1 4.5Å; L1066-I1179 HydrophobicContact CG-CG2 3.77Å; Q1067-I1179 HydrophobicContact CG-CD1 3.76Å; N1070-I1179 HydrophobicContact CB-CG2 3.5Å; N1070-I1179 VanDerWaalsContact CB-CG2 3.5Å; D1176-I1179 PolarHBondContact O-N 2.9Å; L1177-I1179 PolarHBondContact O-N 2.79Å; I1179-L1181 PolarHBondContact O-N 3.01Å; I1179-P1182 WeakPolarHBondContact O-CD 3.31Å; I1179-L1183 VanDerWaalsContact O-CB 3.29Å; I1179-L1183 WeakPolarHBondContact O-CB 3.5Å; I1179-L1183 PolarHBondContact O-N 3.19Å
1180L80.4Confident70.5Confident0 Ų039.1 Ų39.10%020%0.202CC..Hα-helixtrans-58.3-43177.9-77168.5000112.7Y1010 L1066 V1145 W1148 V1149 D1176 L1183 L1184Y1010-L1180 HydrophobicContact CE1-CD2 4.31Å; L1066-L1180 HydrophobicContact CD1-CD2 3.73Å; L1066-L1180 HydrophobicContact CD1-CG 4.11Å; L1066-L1180 HydrophobicContact CD2-CD2 4.41Å; L1066-L1180 HydrophobicContact CD2-CG 3.9Å; V1145-L1180 HydrophobicContact CG1-CD2 4.18Å; W1148-L1180 HydrophobicContact CB-CD1 4.46Å; W1148-L1180 HydrophobicContact CB-CD2 4.32Å; W1148-L1180 HydrophobicContact CE3-CD2 3.9Å; V1149-L1180 HydrophobicContact CG2-CB 3.85Å; V1149-L1180 HydrophobicContact CG2-CD1 4.18Å; V1149-L1180 HydrophobicContact CG2-CG 4.45Å; D1176-L1180 PolarHBondContact O-N 3.43Å; L1180-L1183 PolarHBondContact O-N 3.19Å; L1180-L1184 WeakPolarHBondContact O-CB 3.35Å; L1180-L1184 PolarHBondContact O-N 2.72Å
1181L75.1Confident72.3Confident1 Ų134.8 Ų34.81%0.00518%0.178CC..Hα-helixtrans-70.6-49.4-176.3-64.1171.6000112.3V1149 L1177 I1179 L1183 L1184 V1185 A1245 L1249V1149-L1181 HydrophobicContact CG1-CD2 4.1Å; V1149-L1181 HydrophobicContact CG2-CD2 4.32Å; L1177-L1181 HydrophobicContact CB-CD1 4.42Å; L1177-L1181 WeakPolarHBondContact O-CB 3.49Å; L1177-L1181 WeakPolarHBondContact O-CG 3.31Å; L1177-L1181 PolarHBondContact O-N 2.99Å; L1177-L1181 VanDerWaalsContact O-N 3.08Å; I1179-L1181 PolarHBondContact O-N 3.01Å; L1181-L1183 VanDerWaalsContact C-N 3.26Å; L1181-L1183 PolarHBondContact O-N 3.46Å; L1181-L1184 PolarHBondContact O-N 2.82Å; L1181-V1185 WeakPolarHBondContact O-CG2 3.31Å; L1181-V1185 PolarHBondContact O-N 3.17Å; L1181-A1245 HydrophobicContact CD1-CB 3.69Å; L1181-L1249 HydrophobicContact CD1-CD1 4.27Å; L1181-L1249 HydrophobicContact CD1-CG 4.03Å; L1181-L1249 HydrophobicContact CD2-CD1 4.48Å; L1181-L1249 HydrophobicContact CD2-CD2 3.61Å; L1181-L1249 HydrophobicContact CD2-CG 3.9Å
1182P73.5Confident73.1Confident31 Ų3129.5 Ų29.520%0.20116%0.156CC..Hα-helixtrans-60.2-32.6171.5-26.737.2000114V1178 I1179 K1186V1178-P1182 VanDerWaalsContact O-CD 3.26Å; V1178-P1182 WeakPolarHBondContact O-CD 3.4Å; V1178-P1182 WeakPolarHBondContact O-CG 3.47Å; I1179-P1182 WeakPolarHBondContact O-CD 3.31Å; P1182-K1186 VanDerWaalsContact O-CG 3.23Å; P1182-K1186 WeakPolarHBondContact O-CG 3.29Å; P1182-K1186 PolarHBondContact O-N 3.03Å; P1182-K1186 VanDerWaalsContact O-N 3.09Å
1183L81.2Confident73.6Confident0 Ų027.5 Ų27.50%014%0.144CC..Hα-helixtrans-64.3-47.7173.1177.259000111.1I1069 M1073 I1179 L1180 L1181 V1185 K1186 L1187I1069-L1183 HydrophobicContact CG2-CD2 3.9Å; M1073-L1183 HydrophobicContact CB-CD1 3.83Å; M1073-L1183 HydrophobicContact CG-CD1 4.27Å; I1179-L1183 VanDerWaalsContact O-CB 3.29Å; I1179-L1183 WeakPolarHBondContact O-CB 3.5Å; I1179-L1183 PolarHBondContact O-N 3.19Å; L1180-L1183 PolarHBondContact O-N 3.19Å; L1181-L1183 VanDerWaalsContact C-N 3.26Å; L1181-L1183 PolarHBondContact O-N 3.46Å; L1183-V1185 VanDerWaalsContact C-N 3.35Å; L1183-V1185 PolarHBondContact O-N 3.36Å; L1183-K1186 WeakPolarHBondContact O-CB 3.2Å; L1183-K1186 PolarHBondContact O-N 2.9Å; L1183-L1187 HydrophobicContact CD1-CD1 4.21Å; L1183-L1187 HydrophobicContact CD1-CG 4.26Å; L1183-L1187 HydrophobicContact CG-CD1 4.11Å; L1183-L1187 VanDerWaalsContact O-CG 3.3Å; L1183-L1187 WeakPolarHBondContact O-CG 3.47Å; L1183-L1187 PolarHBondContact O-N 3.05Å
1184L82.6Confident73.5Confident0 Ų027 Ų270%014%0.142CC..Hα-helixtrans-59.6-43.3176.9-172.470.3000112I1142 V1145 L1180 L1181 K1186 L1187 C1188 W1218I1142-L1184 HydrophobicContact CG2-CD1 4.17Å; V1145-L1184 HydrophobicContact CB-CD1 4.27Å; V1145-L1184 HydrophobicContact CG1-CB 4.11Å; V1145-L1184 HydrophobicContact CG1-CD1 4Å; L1180-L1184 WeakPolarHBondContact O-CB 3.35Å; L1180-L1184 PolarHBondContact O-N 2.72Å; L1181-L1184 PolarHBondContact O-N 2.82Å; L1184-K1186 PolarHBondContact O-N 3.19Å; L1184-L1187 PolarHBondContact O-N 3.33Å; L1184-C1188 PolarHBondContact O-N 3Å; L1184-C1188 PolarHBondContact O-SG 3.01Å; L1184-C1188 VanDerWaalsContact O-SG 3.36Å; L1184-W1218 HydrophobicContact CD2-CH2 4.1Å; L1184-W1218 HydrophobicContact CD2-CZ3 3.71Å
1185V71.7Confident73.2Confident22 Ų2226.2 Ų26.213%0.13314%0.138CC..Hα-helixtrans-56.8-48.4174.8172.70000111.5L1181 L1183 L1187 C1188 R1189 Q1252L1181-V1185 WeakPolarHBondContact O-CG2 3.31Å; L1181-V1185 PolarHBondContact O-N 3.17Å; L1183-V1185 VanDerWaalsContact C-N 3.35Å; L1183-V1185 PolarHBondContact O-N 3.36Å; V1185-L1187 VanDerWaalsContact C-N 3.34Å; V1185-L1187 PolarHBondContact O-N 3.01Å; V1185-C1188 PolarHBondContact O-N 3.11Å; V1185-R1189 PolarHBondContact O-N 2.97Å; V1185-R1189 VanDerWaalsContact O-N 3.08Å; V1185-Q1252 HydrophobicContact CG2-CB 3.83Å; V1185-Q1252 HydrophobicContact CG2-CG 3.78Å
1186K75.3Confident72.3Confident47 Ų4722 Ų2220%0.20413%0.126CC..Hα-helixtrans-59.2-43.9178-73.2168.4-174173.90111.6N1070 T1074 L1077 P1182 L1183 L1184 R1189 A1190N1070-K1186 PolarHBondContact OD1-NZ 3.12Å; T1074-K1186 PolarHBondContact OG1-NZ 3.14Å; L1077-K1186 HydrophobicContact CD1-CB 3.66Å; P1182-K1186 VanDerWaalsContact O-CG 3.23Å; P1182-K1186 WeakPolarHBondContact O-CG 3.29Å; P1182-K1186 PolarHBondContact O-N 3.03Å; P1182-K1186 VanDerWaalsContact O-N 3.09Å; L1183-K1186 WeakPolarHBondContact O-CB 3.2Å; L1183-K1186 PolarHBondContact O-N 2.9Å; L1184-K1186 PolarHBondContact O-N 3.19Å; K1186-R1189 PolarHBondContact O-N 2.72Å; K1186-A1190 PolarHBondContact O-N 3.36Å
1187L80.9Confident70.8Confident0 Ų027.8 Ų27.80%015%0.153CC..Hα-helixtrans-66.4-41.2178.7-64.6169.7000112.3M1073 L1138 F1141 I1142 V1145 L1183 L1184 V1185 R1189 A1190 R1191M1073-L1187 HydrophobicContact CE-CD2 3.54Å; L1138-L1187 WeakPolarHBondContact CD2-O 3.3Å; F1141-L1187 HydrophobicContact CD1-CD1 3.6Å; F1141-L1187 HydrophobicContact CD1-CD2 3.79Å; F1141-L1187 HydrophobicContact CD1-CG 4.36Å; F1141-L1187 HydrophobicContact CE1-CD1 3.55Å; F1141-L1187 HydrophobicContact CE1-CD2 3.89Å; F1141-L1187 HydrophobicContact CE1-CG 4.35Å; I1142-L1187 HydrophobicContact CD1-CB 4.12Å; I1142-L1187 HydrophobicContact CG1-CB 3.79Å; I1142-L1187 HydrophobicContact CG1-CD1 4.45Å; V1145-L1187 HydrophobicContact CG2-CD1 4.13Å; L1183-L1187 HydrophobicContact CD1-CD1 4.21Å; L1183-L1187 HydrophobicContact CD1-CG 4.26Å; L1183-L1187 HydrophobicContact CG-CD1 4.11Å; L1183-L1187 VanDerWaalsContact O-CG 3.3Å; L1183-L1187 WeakPolarHBondContact O-CG 3.47Å; L1183-L1187 PolarHBondContact O-N 3.05Å; L1184-L1187 PolarHBondContact O-N 3.33Å; V1185-L1187 VanDerWaalsContact C-N 3.34Å; V1185-L1187 PolarHBondContact O-N 3.01Å; L1187-R1189 VanDerWaalsContact C-N 3.35Å; L1187-R1189 PolarHBondContact O-N 3.16Å; L1187-A1190 WeakPolarHBondContact O-CB 3.41Å; L1187-A1190 PolarHBondContact O-N 3.15Å; L1187-R1191 PolarHBondContact O-N 3Å
1188C77.5Confident69.4Low0 Ų032.2 Ų32.20%018%0.18CC..Hα-helixtrans-63.9-39.1176.3-69.50000112.4L1184 V1185 R1191 A1192 L1212 Q1252 W1255 L1256L1184-C1188 PolarHBondContact O-N 3Å; L1184-C1188 PolarHBondContact O-SG 3.01Å; L1184-C1188 VanDerWaalsContact O-SG 3.36Å; V1185-C1188 PolarHBondContact O-N 3.11Å; C1188-R1191 PolarHBondContact O-N 2.93Å; C1188-A1192 PolarHBondContact O-N 3.11Å; C1188-L1212 HydrophobicContact CB-CD2 4.18Å; C1188-Q1252 PolarHBondContact SG-NE2 3.12Å; C1188-W1255 HydrophobicContact CB-CZ3 4.06Å; C1188-L1256 HydrophobicContact CB-CD2 4.41Å
1189R72.8Confident68Low96 Ų9635.3 Ų35.336%0.36220%0.199SC..Hα-helixtrans-62.9-41.5172.1-77.4176.7175.9147.42.3112.3P380 V1185 K1186 L1187 A1192 S1193 W1255P380-R1189 PolarHBondContact O-NH2 3.44Å; V1185-R1189 PolarHBondContact O-N 2.97Å; V1185-R1189 VanDerWaalsContact O-N 3.08Å; K1186-R1189 PolarHBondContact O-N 2.72Å; L1187-R1189 VanDerWaalsContact C-N 3.35Å; L1187-R1189 PolarHBondContact O-N 3.16Å; R1189-A1192 WeakPolarHBondContact O-CB 3.36Å; R1189-A1192 PolarHBondContact O-N 3.24Å; R1189-S1193 PolarHBondContact O-N 3.06Å; R1189-W1255 HydrophobicContact CB-CH2 4.18Å; R1189-W1255 HydrophobicContact CB-CZ2 4.42Å; R1189-W1255 HydrophobicContact CG-CD2 4.26Å; R1189-W1255 HydrophobicContact CG-CE3 4.17Å; R1189-W1255 HydrophobicContact CG-CH2 3.48Å; R1189-W1255 VanDerWaalsContact CG-CH2 3.48Å; R1189-W1255 HydrophobicContact CG-CZ2 3.51Å; R1189-W1255 HydrophobicContact CG-CZ3 3.79Å
1190A74Confident66.1Low6 Ų638.7 Ų38.75%0.0522%0.217CC..Hα-helixtrans-63.3-41.1174.600000112.9L1077 L1085 L1138 K1186 L1187 A1192 S1193 I1194L1077-A1190 HydrophobicContact CD2-CB 3.3Å; L1085-A1190 HydrophobicContact CD2-CB 4.01Å; L1138-A1190 HydrophobicContact CD1-CB 3.98Å; K1186-A1190 PolarHBondContact O-N 3.36Å; L1187-A1190 WeakPolarHBondContact O-CB 3.41Å; L1187-A1190 PolarHBondContact O-N 3.15Å; A1190-A1192 PolarHBondContact O-N 3.5Å; A1190-S1193 PolarHBondContact O-N 2.83Å; A1190-S1193 PolarHBondContact O-OG 3.2Å; A1190-S1193 VanDerWaalsContact O-OG 3.12Å; A1190-I1194 WeakPolarHBondContact O-CD1 3.44Å; A1190-I1194 VanDerWaalsContact O-CG1 3.28Å; A1190-I1194 WeakPolarHBondContact O-CG1 3.39Å; A1190-I1194 PolarHBondContact O-N 2.73Å
1191R76.7Confident64.2Low12 Ų1244.6 Ų44.65%0.04526%0.255CS..Hα-helixtrans-61.7-32175.5-178.254.7-169.485.23112.2L1138 I1142 L1187 C1188 P1208 S1210 L1212L1138-R1191 HydrophobicContact CD2-CB 3.78Å; I1142-R1191 HydrophobicContact CD1-CB 4.15Å; L1187-R1191 PolarHBondContact O-N 3Å; C1188-R1191 PolarHBondContact O-N 2.93Å; R1191-P1208 PolarHBondContact NH1-O 3.46Å; R1191-P1208 PolarHBondContact NH2-O 2.84Å; R1191-S1210 PolarHBondContact NH2-O 2.95Å; R1191-L1212 HydrophobicContact CB-CD1 4.29Å; R1191-L1212 HydrophobicContact CB-CD2 3.98Å; R1191-L1212 HydrophobicContact CB-CG 4.31Å; R1191-L1212 HydrophobicContact CG-CD1 4.07Å; R1191-L1212 HydrophobicContact CG-CD2 3.87Å; R1191-L1212 HydrophobicContact CG-CG 3.8Å
1192A69.1Low62.6Low9 Ų950.6 Ų50.67%0.07429%0.287CS..Hα-helixtrans-71.9-47.5178.900000112.6C1188 R1189 A1190 I1194 G1195 Y1209 L1212 W1255 L1259C1188-A1192 PolarHBondContact O-N 3.11Å; R1189-A1192 WeakPolarHBondContact O-CB 3.36Å; R1189-A1192 PolarHBondContact O-N 3.24Å; A1190-A1192 PolarHBondContact O-N 3.5Å; A1192-I1194 VanDerWaalsContact C-N 3.28Å; A1192-I1194 PolarHBondContact O-N 2.93Å; A1192-G1195 PolarHBondContact O-N 2.81Å; A1192-Y1209 HydrophobicContact CB-CD1 4.45Å; A1192-Y1209 HydrophobicContact CB-CE1 4.28Å; A1192-L1212 HydrophobicContact CB-CD1 4.11Å; A1192-W1255 HydrophobicContact CB-CH2 4.08Å; A1192-W1255 HydrophobicContact CB-CZ2 4.49Å; A1192-L1259 HydrophobicContact CB-CD2 3.49Å; A1192-L1259 VanDerWaalsContact CB-CD2 3.49Å
1193S65.7Low61.1Low45 Ų4554.2 Ų54.232%0.31531%0.308SS..Hα-helixtrans-61.8-34.8-177.360.80000113.1R1189 A1190 G1195 S1196R1189-S1193 PolarHBondContact O-N 3.06Å; A1190-S1193 PolarHBondContact O-N 2.83Å; A1190-S1193 PolarHBondContact O-OG 3.2Å; A1190-S1193 VanDerWaalsContact O-OG 3.12Å; S1193-G1195 PolarHBondContact O-N 2.82Å; S1193-G1195 VanDerWaalsContact O-N 3.15Å; S1193-S1196 WeakPolarHBondContact O-CB 3.38Å; S1193-S1196 PolarHBondContact O-N 2.71Å
1194I64.6Low59.2Low17 Ų1762 Ų629%0.08735%0.35CS..THydrogen-bonded Turntrans-56.7-29.3174.6-62.7169.1000112I1082 H1086 L1138 A1190 A1192 S1196I1082-I1194 HydrophobicContact CG2-CG1 4.2Å; H1086-I1194 WeakPolarHBondContact NE2-CD1 3.37Å; H1086-I1194 VanDerWaalsContact NE2-CG1 3.28Å; H1086-I1194 WeakPolarHBondContact NE2-CG1 3.33Å; L1138-I1194 HydrophobicContact CD1-CD1 4.07Å; A1190-I1194 WeakPolarHBondContact O-CD1 3.44Å; A1190-I1194 VanDerWaalsContact O-CG1 3.28Å; A1190-I1194 WeakPolarHBondContact O-CG1 3.39Å; A1190-I1194 PolarHBondContact O-N 2.73Å; A1192-I1194 VanDerWaalsContact C-N 3.28Å; A1192-I1194 PolarHBondContact O-N 2.93Å; I1194-S1196 VanDerWaalsContact C-N 3.29Å; I1194-S1196 PolarHBondContact O-N 2.89Å
1195G53.5Low57.4Low20 Ų2071.5 Ų71.521%0.20639%0.391CS..THydrogen-bonded Turntrans-76.6-9.5177.200000115.1A1192 S1193 P1208A1192-G1195 PolarHBondContact O-N 2.81Å; S1193-G1195 PolarHBondContact O-N 2.82Å; S1193-G1195 VanDerWaalsContact O-N 3.15Å; G1195-P1208 VanDerWaalsContact O-CB 3.3Å; G1195-P1208 WeakPolarHBondContact O-CB 3.44Å
1196S49.1Very low56.2Low53 Ų5377 Ų7737%0.37142%0.419SS..THydrogen-bonded Turntrans-104.5-15.6-173.6-169.80000114.4S1193 I1194S1193-S1196 WeakPolarHBondContact O-CB 3.38Å; S1193-S1196 PolarHBondContact O-N 2.71Å; I1194-S1196 VanDerWaalsContact C-N 3.29Å; I1194-S1196 PolarHBondContact O-N 2.89Å
1197E45Very low55.2Low121 Ų12177.5 Ų77.557%0.56542%0.424SS*.SBendtrans-91.2-7.6-176.7-64.3-176.4151.400113.1I1082 T1199I1082-E1197 WeakPolarHBondContact CD1-OE1 3.38Å; E1197-T1199 PolarHBondContact O-N 3Å
1198V42Very low54.1Low98 Ų9879.8 Ų79.859%0.59444%0.439SS*.  trans-9081.3-179.2-176.10000109.7I1200V1198-I1200 HydrophobicContact CG1-CD1 3.65Å; V1198-I1200 HydrophobicContact CG1-CG1 3.85Å; V1198-I1200 PolarHBondContact O-N 3.21Å
1199T40.3Very low53.6Low134 Ų13480.6 Ų80.682%0.82244%0.442SS*.  trans-74.171.917755.50000111.7E1197E1197-T1199 PolarHBondContact O-N 3Å
1200I37.7Very low53.2Low100 Ų10079.2 Ų79.251%0.51345%0.447SS..  trans-97.1128.6164.9-63.5170.7000106.9V1198 D1202 V1203V1198-I1200 HydrophobicContact CG1-CD1 3.65Å; V1198-I1200 HydrophobicContact CG1-CG1 3.85Å; V1198-I1200 PolarHBondContact O-N 3.21Å; I1200-D1202 HydrophobicContact CG2-CB 4.37Å; I1200-D1202 PolarHBondContact O-N 3.21Å; I1200-V1203 WeakPolarHBondContact O-CG2 3.47Å
1201P40.9Very low52.8Low124 Ų12480.2 Ų80.281%0.80546%0.457SS*.SBendtrans-65.4-20.1-173.224-33.7000114.5V1203P1201-V1203 PolarHBondContact O-N 2.92Å
1202D39.7Very low52.8Low127 Ų12779.7 Ų79.768%0.67946%0.456SS*.  trans-8044.9180-61.7-57000114.3I1200 N1204I1200-D1202 HydrophobicContact CG2-CB 4.37Å; I1200-D1202 PolarHBondContact O-N 3.21Å; D1202-N1204 PolarHBondContact O-N 2.78Å
1203V42.4Very low52.9Low107 Ų10780.8 Ų80.865%0.64846%0.463SS*.G310 helixtrans-55.8-29.9-173.2-179.40000113.1I1200 P1201 K1205I1200-V1203 WeakPolarHBondContact O-CG2 3.47Å; P1201-V1203 PolarHBondContact O-N 2.92Å; V1203-K1205 PolarHBondContact O-N 2.82Å
1204N41.1Very low53.4Low164 Ų16488.1 Ų88.188%0.87748%0.483SS*.G310 helixtrans-70.97.6-169.8-64.7-2.2000116D1202D1202-N1204 PolarHBondContact O-N 2.78Å
1205K45.2Very low54Low199 Ų19987.8 Ų87.887%0.86548%0.482SS*.G310 helixtrans-131.4-10.7-177.9-75.7-175.1178.3173.60117V1203V1203-K1205 PolarHBondContact O-N 2.82Å
1206I46.9Very low55.2Low138 Ų13887.9 Ų87.971%0.70848%0.478SS*.  trans-129.4110.9-174.8-58.9177.3000110.5P1208I1206-P1208 VanDerWaalsContact O-CD 3.23Å; I1206-P1208 WeakPolarHBondContact O-CD 3.32Å
1207N54.6Low56.5Low58 Ų5886.9 Ų86.931%0.3147%0.473SS..  trans-70112.4178.6179.8-15.2000111.5Y1209 S1210N1207-Y1209 VanDerWaalsContact C-N 3.25Å; N1207-Y1209 PolarHBondContact O-N 3.24Å; N1207-Y1209 PolarHBondContact OD1-N 3.16Å; N1207-S1210 WeakPolarHBondContact O-CB 3.5Å; N1207-S1210 PolarHBondContact O-N 3.43Å; N1207-S1210 PolarHBondContact O-OG 3.26Å
1208P57.9Low58.2Low48 Ų4882.2 Ų82.231%0.31245%0.45SS..THydrogen-bonded Turntrans-68.2-23.6-175.727.7-34.9000113.5R1191 G1195 I1206 S1210R1191-P1208 PolarHBondContact NH1-O 3.46Å; R1191-P1208 PolarHBondContact NH2-O 2.84Å; G1195-P1208 VanDerWaalsContact O-CB 3.3Å; G1195-P1208 WeakPolarHBondContact O-CB 3.44Å; I1206-P1208 VanDerWaalsContact O-CD 3.23Å; I1206-P1208 WeakPolarHBondContact O-CD 3.32Å; P1208-S1210 VanDerWaalsContact C-N 3.34Å
1209Y66.6Low59.9Low17 Ų1777.7 Ų77.77%0.06742%0.422CS..THydrogen-bonded Turntrans-93.712.2-178.6-50.5-41000113.4R313 A1192 N1207 G1211 L1212 L1259R313-Y1209 PolarHBondContact NH2-OH 3.04Å; A1192-Y1209 HydrophobicContact CB-CD1 4.45Å; A1192-Y1209 HydrophobicContact CB-CE1 4.28Å; N1207-Y1209 VanDerWaalsContact C-N 3.25Å; N1207-Y1209 PolarHBondContact O-N 3.24Å; N1207-Y1209 PolarHBondContact OD1-N 3.16Å; Y1209-G1211 PolarHBondContact O-N 3.42Å; Y1209-G1211 VanDerWaalsContact O-N 3.09Å; Y1209-L1212 HydrophobicContact CD1-CD1 4.43Å; Y1209-L1212 WeakPolarHBondContact O-CB 3.43Å; Y1209-L1212 PolarHBondContact O-N 2.89Å; Y1209-L1259 HydrophobicContact CD1-CD2 4.35Å; Y1209-L1259 HydrophobicContact CD2-CG 4.2Å; Y1209-L1259 HydrophobicContact CE1-CD1 4.35Å; Y1209-L1259 HydrophobicContact CE1-CD2 4.3Å; Y1209-L1259 HydrophobicContact CE1-CG 4.44Å; Y1209-L1259 HydrophobicContact CE2-CD1 3.97Å; Y1209-L1259 HydrophobicContact CE2-CD2 4.49Å; Y1209-L1259 HydrophobicContact CE2-CG 3.87Å; Y1209-L1259 HydrophobicContact CG-CD2 4.49Å
1210S63.4Low61.7Low67 Ų6772.4 Ų72.447%0.46939%0.389SS..THydrogen-bonded Turntrans-44.1115.4172.244.20000112.4R1191 N1207 P1208R1191-S1210 PolarHBondContact NH2-O 2.95Å; N1207-S1210 WeakPolarHBondContact O-CB 3.5Å; N1207-S1210 PolarHBondContact O-N 3.43Å; N1207-S1210 PolarHBondContact O-OG 3.26Å; P1208-S1210 VanDerWaalsContact C-N 3.34Å
1211G67.4Low63.6Low26 Ų2675.4 Ų75.427%0.26839%0.394SS..THydrogen-bonded Turntrans105.8-30.2-174.800000115Y1209 R1214Y1209-G1211 PolarHBondContact O-N 3.42Å; Y1209-G1211 VanDerWaalsContact O-N 3.09Å; G1211-R1214 WeakPolarHBondContact O-CB 3.41Å; G1211-R1214 PolarHBondContact O-N 2.87Å
1212L75.3Confident65.2Low2 Ų270.9 Ų70.91%0.0136%0.363CS..THydrogen-bonded Turntrans-69.4-32.1175.5-73177.6000112.3C1188 R1191 A1192 Y1209 R1214 V1215 L1216 L1256 L1259 I1260C1188-L1212 HydrophobicContact CB-CD2 4.18Å; R1191-L1212 HydrophobicContact CB-CD1 4.29Å; R1191-L1212 HydrophobicContact CB-CD2 3.98Å; R1191-L1212 HydrophobicContact CB-CG 4.31Å; R1191-L1212 HydrophobicContact CG-CD1 4.07Å; R1191-L1212 HydrophobicContact CG-CD2 3.87Å; R1191-L1212 HydrophobicContact CG-CG 3.8Å; A1192-L1212 HydrophobicContact CB-CD1 4.11Å; Y1209-L1212 HydrophobicContact CD1-CD1 4.43Å; Y1209-L1212 WeakPolarHBondContact O-CB 3.43Å; Y1209-L1212 PolarHBondContact O-N 2.89Å; L1212-R1214 PolarHBondContact O-N 2.72Å; L1212-V1215 WeakPolarHBondContact O-CA 3.23Å; L1212-V1215 WeakPolarHBondContact O-CB 3.46Å; L1212-V1215 PolarHBondContact O-N 2.67Å; L1212-L1216 PolarHBondContact O-N 3.25Å; L1212-L1256 HydrophobicContact CB-CD2 4.26Å; L1212-L1256 HydrophobicContact CD1-CD2 4.36Å; L1212-L1256 HydrophobicContact CD2-CD2 4.16Å; L1212-L1259 HydrophobicContact CD1-CD2 4.27Å; L1212-I1260 HydrophobicContact CB-CD1 3.86Å
1213S72.3Confident66.8Low32 Ų3265 Ų6522%0.22433%0.331CS..Hα-helixtrans-56.2-37.5170.953.90000112.5V1215 L1216 A1217S1213-V1215 VanDerWaalsContact C-N 3.27Å; S1213-V1215 PolarHBondContact O-N 3.29Å; S1213-L1216 PolarHBondContact O-N 3.02Å; S1213-A1217 WeakPolarHBondContact O-CB 3.46Å; S1213-A1217 PolarHBondContact O-N 3.17Å
1214R76Confident68.3Low199 Ų19965 Ų6575%0.75132%0.32SS*.Hα-helixtrans-71.4-17.5174.3-60.3179.1178.3158.8-2.2113.6G1211 L1212G1211-R1214 WeakPolarHBondContact O-CB 3.41Å; G1211-R1214 PolarHBondContact O-N 2.87Å; L1212-R1214 PolarHBondContact O-N 2.72Å
1215V75.8Confident69.5Low10 Ų1058.6 Ų58.66%0.06129%0.289CS..Hα-helixtrans-84.6-47.1171.8-176.20000109.8I1142 L1212 S1213 A1217 W1218 L1219 L1256I1142-V1215 HydrophobicContact CG2-CG2 3.79Å; L1212-V1215 WeakPolarHBondContact O-CA 3.23Å; L1212-V1215 WeakPolarHBondContact O-CB 3.46Å; L1212-V1215 PolarHBondContact O-N 2.67Å; S1213-V1215 VanDerWaalsContact C-N 3.27Å; S1213-V1215 PolarHBondContact O-N 3.29Å; V1215-A1217 PolarHBondContact O-N 3.47Å; V1215-W1218 HydrophobicContact CG1-CE3 4.44Å; V1215-W1218 WeakPolarHBondContact O-CA 3.37Å; V1215-W1218 PolarHBondContact O-N 3.48Å; V1215-L1219 HydrophobicContact CG1-CD1 4.36Å; V1215-L1219 PolarHBondContact O-N 3.42Å; V1215-L1256 HydrophobicContact CG1-CD1 4.13Å
1216L78.6Confident70Confident21 Ų2154.6 Ų54.611%0.1128%0.284CS..Hα-helixtrans-55.4-51.1174177.659.2000111.1L1212 S1213 W1218 L1219 L1220 L1256 A1257 I1260L1212-L1216 PolarHBondContact O-N 3.25Å; S1213-L1216 PolarHBondContact O-N 3.02Å; L1216-W1218 PolarHBondContact O-N 3.26Å; L1216-W1218 VanDerWaalsContact O-N 3.09Å; L1216-L1219 PolarHBondContact O-N 3.21Å; L1216-L1219 VanDerWaalsContact O-N 3.07Å; L1216-L1220 HydrophobicContact CD1-CD1 4.2Å; L1216-L1220 HydrophobicContact CD1-CG 4.19Å; L1216-L1220 HydrophobicContact CG-CD1 4.09Å; L1216-L1220 WeakPolarHBondContact O-CG 3.38Å; L1216-L1220 PolarHBondContact O-N 3.05Å; L1216-L1256 HydrophobicContact CB-CB 4.31Å; L1216-L1256 HydrophobicContact CD1-CB 4.03Å; L1216-A1257 HydrophobicContact CD1-CB 4.26Å; L1216-A1257 HydrophobicContact CD2-CB 4.21Å; L1216-I1260 HydrophobicContact CB-CD1 4.27Å; L1216-I1260 HydrophobicContact CD2-CD1 4.17Å
1217A76.8Confident70.5Confident33 Ų3350 Ų5027%0.27326%0.26SS..Hα-helixtrans-64.8-13.3177.200000114.1S1213 V1215 R1221S1213-A1217 WeakPolarHBondContact O-CB 3.46Å; S1213-A1217 PolarHBondContact O-N 3.17Å; V1215-A1217 PolarHBondContact O-N 3.47Å; A1217-R1221 WeakPolarHBondContact O-CD 3.41Å; A1217-R1221 VanDerWaalsContact O-CG 3.29Å; A1217-R1221 WeakPolarHBondContact O-CG 3.37Å; A1217-R1221 PolarHBondContact O-NH1 3.35Å
1218W81.2Confident69.9Low23 Ų2352.6 Ų52.69%0.08728%0.28CS..Hα-helixtrans-91.5-36.9169.9165.679.4000112.2K1146 V1149 T1150 L1184 V1215 L1216 L1220 R1221 L1222K1146-W1218 HydrophobicContact CB-CH2 4.15Å; K1146-W1218 HydrophobicContact CB-CZ2 4.18Å; K1146-W1218 HydrophobicContact CB-CZ3 4.4Å; K1146-W1218 HydrophobicContact CD-CB 4.47Å; K1146-W1218 HydrophobicContact CD-CD2 3.67Å; K1146-W1218 HydrophobicContact CD-CE3 4.09Å; K1146-W1218 HydrophobicContact CD-CG 3.84Å; K1146-W1218 HydrophobicContact CD-CZ2 4.44Å; K1146-W1218 VanDerWaalsContact CE-CG 3.41Å; K1146-W1218 HydrophobicContact CG-CD2 3.91Å; K1146-W1218 HydrophobicContact CG-CE3 4.31Å; K1146-W1218 HydrophobicContact CG-CG 4.45Å; K1146-W1218 HydrophobicContact CG-CH2 4.16Å; K1146-W1218 HydrophobicContact CG-CZ2 3.74Å; K1146-W1218 HydrophobicContact CG-CZ3 4.44Å; K1146-W1218 VanDerWaalsContact NZ-CG 3.34Å; V1149-W1218 HydrophobicContact CB-CH2 4.1Å; V1149-W1218 HydrophobicContact CB-CZ2 4.33Å; V1149-W1218 HydrophobicContact CG1-CH2 3.83Å; V1149-W1218 HydrophobicContact CG1-CZ2 4.11Å; T1150-W1218 WeakPolarHBondContact OG1-CZ2 3.29Å; T1150-W1218 PolarHBondContact OG1-NE1 3.39Å; L1184-W1218 HydrophobicContact CD2-CH2 4.1Å; L1184-W1218 HydrophobicContact CD2-CZ3 3.71Å; V1215-W1218 HydrophobicContact CG1-CE3 4.44Å; V1215-W1218 WeakPolarHBondContact O-CA 3.37Å; V1215-W1218 PolarHBondContact O-N 3.48Å; L1216-W1218 PolarHBondContact O-N 3.26Å; L1216-W1218 VanDerWaalsContact O-N 3.09Å; W1218-L1220 VanDerWaalsContact C-N 3.34Å; W1218-R1221 PolarHBondContact O-N 3.07Å; W1218-L1222 HydrophobicContact CD2-CD1 4.26Å; W1218-L1222 HydrophobicContact CE3-CD1 4.49Å; W1218-L1222 HydrophobicContact CH2-CD1 3.64Å; W1218-L1222 HydrophobicContact CZ2-CD1 3.33Å; W1218-L1222 HydrophobicContact CZ2-CG 4.35Å; W1218-L1222 HydrophobicContact CZ3-CD1 4.19Å; W1218-L1222 PolarHBondContact O-N 3.26Å
1219L76.9Confident69.1Low2 Ų258.2 Ų58.21%0.0131%0.307CS..Hα-helixtrans-61.2-42.9171.1-70.2169.5000111.3V1215 L1216 R1221 L1222 M1223 L1249 Q1252 A1253 L1256V1215-L1219 HydrophobicContact CG1-CD1 4.36Å; V1215-L1219 PolarHBondContact O-N 3.42Å; L1216-L1219 PolarHBondContact O-N 3.21Å; L1216-L1219 VanDerWaalsContact O-N 3.07Å; L1219-R1221 PolarHBondContact O-N 3.49Å; L1219-L1222 CarbonylContact O-C 3.48Å; L1219-L1222 WeakPolarHBondContact O-CB 3.27Å; L1219-L1222 PolarHBondContact O-N 3.09Å; L1219-L1222 VanDerWaalsContact O-N 3.15Å; L1219-M1223 WeakPolarHBondContact O-CG 3.37Å; L1219-M1223 PolarHBondContact O-N 2.91Å; L1219-L1249 HydrophobicContact CD2-CD2 3.59Å; L1219-Q1252 HydrophobicContact CD1-CB 4.28Å; L1219-Q1252 HydrophobicContact CD1-CG 3.8Å; L1219-A1253 HydrophobicContact CB-CB 4.44Å; L1219-L1256 HydrophobicContact CD1-CD1 3.65Å
1220L78.1Confident67.3Low24 Ų2467.1 Ų67.113%0.12634%0.34CS..Hα-helixtrans-62.5-41.8175.8-66.5172.1000112.1L1216 W1218 L1222 M1223 R1224 L1276 L1281L1216-L1220 HydrophobicContact CD1-CD1 4.2Å; L1216-L1220 HydrophobicContact CD1-CG 4.19Å; L1216-L1220 HydrophobicContact CG-CD1 4.09Å; L1216-L1220 WeakPolarHBondContact O-CG 3.38Å; L1216-L1220 PolarHBondContact O-N 3.05Å; W1218-L1220 VanDerWaalsContact C-N 3.34Å; L1220-L1222 VanDerWaalsContact C-N 3.34Å; L1220-L1222 PolarHBondContact O-N 3.36Å; L1220-M1223 PolarHBondContact O-N 2.83Å; L1220-R1224 WeakPolarHBondContact O-CG 3.46Å; L1220-R1224 PolarHBondContact O-N 3.4Å; L1220-L1276 HydrophobicContact CD1-CD2 3.8Å; L1220-L1276 HydrophobicContact CD2-CD2 3.97Å; L1220-L1281 HydrophobicContact CD2-CD1 3.63Å; L1220-L1281 HydrophobicContact CD2-CD2 4.31Å
1221R77.7Confident65.8Low162 Ų16267.1 Ų67.161%0.61135%0.351SS*.Hα-helixtrans-62.9-38.2172.1-75176-179.299.4-5.5112.2A1217 W1218 L1219 R1224 A1225A1217-R1221 WeakPolarHBondContact O-CD 3.41Å; A1217-R1221 VanDerWaalsContact O-CG 3.29Å; A1217-R1221 WeakPolarHBondContact O-CG 3.37Å; A1217-R1221 PolarHBondContact O-NH1 3.35Å; W1218-R1221 PolarHBondContact O-N 3.07Å; L1219-R1221 PolarHBondContact O-N 3.49Å; R1221-R1224 PolarHBondContact O-N 3.31Å; R1221-A1225 PolarHBondContact O-N 3.47Å
1222L74.3Confident64Low29 Ų2971.9 Ų71.915%0.15238%0.38CS..Hα-helixtrans-65.7-35.3173.8-100.6179.3000112.9V1149 L1153 W1218 L1219 L1220V1149-L1222 HydrophobicContact CG1-CD1 4.4Å; L1153-L1222 HydrophobicContact CB-CD2 4.49Å; L1153-L1222 HydrophobicContact CD1-CD1 3.97Å; L1153-L1222 HydrophobicContact CD1-CD2 3.59Å; L1153-L1222 HydrophobicContact CD1-CG 4.47Å; W1218-L1222 HydrophobicContact CD2-CD1 4.26Å; W1218-L1222 HydrophobicContact CE3-CD1 4.49Å; W1218-L1222 HydrophobicContact CH2-CD1 3.64Å; W1218-L1222 HydrophobicContact CZ2-CD1 3.33Å; W1218-L1222 HydrophobicContact CZ2-CG 4.35Å; W1218-L1222 HydrophobicContact CZ3-CD1 4.19Å; W1218-L1222 PolarHBondContact O-N 3.26Å; L1219-L1222 CarbonylContact O-C 3.48Å; L1219-L1222 WeakPolarHBondContact O-CB 3.27Å; L1219-L1222 PolarHBondContact O-N 3.09Å; L1219-L1222 VanDerWaalsContact O-N 3.15Å; L1220-L1222 VanDerWaalsContact C-N 3.34Å; L1220-L1222 PolarHBondContact O-N 3.36Å
1223M74.4Confident61.9Low3 Ų377 Ų772%0.01542%0.416CS..Hα-helixtrans-72.1-33176.3-70.8171.752.500112.5L1219 L1220 I1250 A1253 L1281 L1285 Y1315 P1316 L1317L1219-M1223 WeakPolarHBondContact O-CG 3.37Å; L1219-M1223 PolarHBondContact O-N 2.91Å; L1220-M1223 PolarHBondContact O-N 2.83Å; M1223-I1250 HydrophobicContact CE-CG1 4.22Å; M1223-I1250 HydrophobicContact SD-CG1 4.47Å; M1223-A1253 HydrophobicContact SD-CB 3.63Å; M1223-L1281 HydrophobicContact CE-CD1 4.09Å; M1223-L1285 HydrophobicContact CE-CD1 4.39Å; M1223-L1285 HydrophobicContact CE-CD2 3.98Å; M1223-L1285 HydrophobicContact CE-CG 4.49Å; M1223-Y1315 HydrophobicContact CB-CD1 3.46Å; M1223-Y1315 VanDerWaalsContact CB-CD1 3.46Å; M1223-Y1315 HydrophobicContact CB-CE1 4.03Å; M1223-Y1315 HydrophobicContact CB-CG 4.12Å; M1223-Y1315 HydrophobicContact CE-CD1 4.02Å; M1223-Y1315 HydrophobicContact CE-CD2 4.13Å; M1223-Y1315 HydrophobicContact CE-CE1 4.18Å; M1223-Y1315 HydrophobicContact CE-CE2 4.3Å; M1223-Y1315 HydrophobicContact CE-CG 3.97Å; M1223-Y1315 CarbonylContact O-C 3.55Å; M1223-Y1315 VanDerWaalsContact O-CA 3.28Å; M1223-Y1315 WeakPolarHBondContact O-CA 3.5Å; M1223-P1316 WeakPolarHBondContact O-CD 3.44Å; M1223-L1317 HydrophobicContact CG-CD2 3.85Å
1224R74.1Confident59.9Low108 Ų10884.4 Ų84.441%0.40845%0.447SS..Hα-helixtrans-77.9-13.3175.4-69.9-177.1-178.4167.41.6113.8L1220 R1221 D1273 Y1315L1220-R1224 WeakPolarHBondContact O-CG 3.46Å; L1220-R1224 PolarHBondContact O-N 3.4Å; R1221-R1224 PolarHBondContact O-N 3.31Å; R1224-D1273 IonicContact CZ-OD1 3.5Å; R1224-D1273 IonicContact NH1-OD1 3.93Å; R1224-D1273 PolarHBondContact NH1-OD1 3.4Å; R1224-D1273 IonicContact NH2-OD1 2.95Å; R1224-Y1315 HydrophobicContact CG-CD1 3.78Å; R1224-Y1315 HydrophobicContact CG-CE1 3.71Å
1225A67Low57.9Low29 Ų2983 Ų8324%0.2445%0.453CS..SBendtrans-71134.2-175.400000112.1R1221 I1227R1221-A1225 PolarHBondContact O-N 3.47Å; A1225-I1227 PolarHBondContact O-N 3.39Å
1226P54.9Low55.8Low115 Ų11589.3 Ų89.375%0.74749%0.486SS*.PPolyproline II helixtrans-69.7127.9-179.827.9-34.1000111.3
1227I56.2Low53.6Low41 Ų4193 Ų9321%0.2151%0.514CS..PPolyproline II helixtrans-84.1127.5175-58.4-179.7000108.4A1225 L1229 L1317A1225-I1227 PolarHBondContact O-N 3.39Å; I1227-L1229 PolarHBondContact O-N 2.91Å; I1227-L1317 HydrophobicContact CD1-CD1 4.11Å
1228P43.6Very low51.7Low113 Ų11395.7 Ų95.773%0.73453%0.527SS*.  trans-67.7103179.426.5-33.9000111.2
1229L39.5Very low50Low166 Ų166101.2 Ų101.287%0.86956%0.558SS**  trans-83.7115.6170.3-73.9160.5000108.9I1227I1227-L1229 PolarHBondContact O-N 2.91Å
1230R30.4Very low48.7Very low204 Ų204105.4 Ų105.477%0.7758%0.583SS**  trans-94.1143.6171.7-150.4177-166.1-1785.1109.3L1166L1166-R1230 PolarHBondContact O-NH1 3.43Å; L1166-R1230 PolarHBondContact O-NH2 3.4Å
1231G32.2Very low47.6Very low67 Ų67105.1 Ų105.169%0.69158%0.582SS**  trans-62.9171.6-169.700000116.4S1233G1231-S1233 PolarHBondContact O-N 3.16Å; G1231-S1233 VanDerWaalsContact O-N 3.11Å
1232S29.6Very low46.8Very low127 Ų12799.7 Ų99.789%0.88857%0.572SS**SBendtrans-66.894.5-167.337.70000115.5
1233S31Very low46.4Very low108 Ų108101.2 Ų101.276%0.75558%0.583SS**  trans-171.1163148240000111.5G1231G1231-S1233 PolarHBondContact O-N 3.16Å; G1231-S1233 VanDerWaalsContact O-N 3.11Å
1234E30.3Very low45.9Very low188 Ų188103.9 Ų103.988%0.87960%0.601SS**  trans64.3103177.5-54.6-163.5161.300116.7N1236E1234-N1236 PolarHBondContact O-N 3.05Å
1235I32.4Very low45.5Very low170 Ų17098.8 Ų98.887%0.87258%0.582SS**  trans-86-4.7-166-75.3169.1000114.6
1236N32.4Very low45.7Very low142 Ų14298.2 Ų98.276%0.75957%0.574SS**SBendtrans-116.7119.1-163.9-77.2-64.8000115.5E1234E1234-N1236 PolarHBondContact O-N 3.05Å
1237S32.3Very low46.6Very low100 Ų10093.9 Ų93.970%0.69955%0.546SS*.SBendtrans81.5145.9172.178.50000117.7
1238T38.3Very low47.4Very low88 Ų8892.8 Ų92.854%0.5454%0.539SS..  trans59.456.3176.859.70000118.4N1170 V1240N1170-T1238 WeakPolarHBondContact OD1-CG2 3.35Å; T1238-V1240 PolarHBondContact O-N 3.48Å; T1238-V1240 VanDerWaalsContact O-N 3.13Å
1239N45.5Very low48.8Very low139 Ų13987.7 Ų87.774%0.74351%0.506SS*.  trans-57.7115.5149.2-92.9-31.6000108.6L1241N1239-L1241 VanDerWaalsContact C-N 3.26Å; N1239-L1241 CarbonylContact O-C 3.56Å; N1239-L1241 PolarHBondContact O-N 3.36Å; N1239-L1241 VanDerWaalsContact O-N 3.09Å
1240V49.6Very low50.7Low90 Ų9079.8 Ų79.855%0.54547%0.465SS..SBendtrans-61.8-26.6-157-179.30000114.5T1238T1238-V1240 PolarHBondContact O-N 3.48Å; T1238-V1240 VanDerWaalsContact O-N 3.13Å
1241L53.6Low53Low18 Ų1871.4 Ų71.49%0.09444%0.435CS..SBendtrans-116.7135.8158.1-86.577.8000109.7L1153 L1177 N1239 A1245 R1246 L1249 L1317L1153-L1241 HydrophobicContact CD2-CD1 3.66Å; L1153-L1241 HydrophobicContact CD2-CD2 4Å; L1153-L1241 HydrophobicContact CD2-CG 4.08Å; L1177-L1241 HydrophobicContact CD1-CG 4.24Å; N1239-L1241 VanDerWaalsContact C-N 3.26Å; N1239-L1241 CarbonylContact O-C 3.56Å; N1239-L1241 PolarHBondContact O-N 3.36Å; N1239-L1241 VanDerWaalsContact O-N 3.09Å; L1241-A1245 HydrophobicContact CD2-CB 4.42Å; L1241-R1246 HydrophobicContact CB-CG 3.94Å; L1241-R1246 HydrophobicContact CD2-CG 3.98Å; L1241-L1249 HydrophobicContact CD2-CD1 4.42Å; L1241-L1317 HydrophobicContact CD2-CD1 4.45Å
1242A61.1Low55.1Low49 Ų4968.3 Ų68.341%0.40540%0.403SS..  trans-58.6138.7162.300000109.9S1244 A1245 R1246A1242-S1244 PolarHBondContact O-N 3.25Å; A1242-A1245 WeakPolarHBondContact O-CB 3.24Å; A1242-A1245 PolarHBondContact O-N 3.45Å; A1242-R1246 PolarHBondContact O-N 3.23Å
1243T65.8Low57.5Low61 Ų6162.3 Ų62.337%0.37436%0.361SS..Hα-helixtrans-54.7-38.7178.748.60000112A1245 R1246 V1247T1243-A1245 VanDerWaalsContact C-N 3.26Å; T1243-A1245 PolarHBondContact O-N 2.96Å; T1243-R1246 PolarHBondContact O-N 3.5Å; T1243-V1247 VanDerWaalsContact O-CG2 3.29Å; T1243-V1247 WeakPolarHBondContact O-CG2 3.4Å; T1243-V1247 PolarHBondContact O-N 3.47Å
1244S64.7Low59.9Low58 Ų5857.1 Ų57.141%0.40633%0.325SS..Hα-helixtrans-56.1-33.8173.2-172.80000114A1242 Q1248A1242-S1244 PolarHBondContact O-N 3.25Å; S1244-Q1248 WeakPolarHBondContact O-CB 3.4Å; S1244-Q1248 WeakPolarHBondContact O-CG 3.45Å; S1244-Q1248 PolarHBondContact O-N 2.76Å
1245A65.2Low62.2Low1 Ų148.6 Ų48.61%0.00828%0.284CS..Hα-helixtrans-74.2-41.1178.800000111.3L1181 L1241 A1242 T1243 Q1248 L1249L1181-A1245 HydrophobicContact CD1-CB 3.69Å; L1241-A1245 HydrophobicContact CD2-CB 4.42Å; A1242-A1245 WeakPolarHBondContact O-CB 3.24Å; A1242-A1245 PolarHBondContact O-N 3.45Å; T1243-A1245 VanDerWaalsContact C-N 3.26Å; T1243-A1245 PolarHBondContact O-N 2.96Å; A1245-Q1248 PolarHBondContact O-N 2.71Å; A1245-L1249 PolarHBondContact O-N 3.33Å
1246R71Confident64.3Low17 Ų1740.5 Ų40.56%0.06424%0.243CC..Hα-helixtrans-59.6-47.1173.7-57.3-168.2173.5155.20.6111.1L1241 A1242 T1243 L1249 I1250 L1317 T1319L1241-R1246 HydrophobicContact CB-CG 3.94Å; L1241-R1246 HydrophobicContact CD2-CG 3.98Å; A1242-R1246 PolarHBondContact O-N 3.23Å; T1243-R1246 PolarHBondContact O-N 3.5Å; R1246-L1249 PolarHBondContact O-N 3.24Å; R1246-I1250 WeakPolarHBondContact O-CG1 3.5Å; R1246-I1250 PolarHBondContact O-N 3.03Å; R1246-L1317 HydrophobicContact CB-CD1 3.92Å; R1246-L1317 HydrophobicContact CB-CG 4.04Å; R1246-L1317 HydrophobicContact CG-CD1 3.62Å; R1246-L1317 HydrophobicContact CG-CG 4.25Å; R1246-T1319 PolarHBondContact NH1-OG1 3.24Å
1247V74.9Confident66.5Low25 Ų2534.1 Ų34.115%0.15221%0.21CC..Hα-helixtrans-62.7-41177.2172.80000111.4T1243 I1250 N1251 I1326 L1329T1243-V1247 VanDerWaalsContact O-CG2 3.29Å; T1243-V1247 WeakPolarHBondContact O-CG2 3.4Å; T1243-V1247 PolarHBondContact O-N 3.47Å; V1247-I1250 PolarHBondContact O-N 3.04Å; V1247-N1251 VanDerWaalsContact O-CB 3.28Å; V1247-N1251 WeakPolarHBondContact O-CB 3.2Å; V1247-N1251 PolarHBondContact O-N 2.89Å; V1247-I1326 HydrophobicContact CG2-CG1 4.24Å; V1247-L1329 HydrophobicContact CG1-CD1 3.74Å; V1247-L1329 HydrophobicContact CG1-CD2 4.41Å; V1247-L1329 HydrophobicContact CG1-CG 4.18Å; V1247-L1329 WeakPolarHBondContact O-CD1 3.44Å
1248Q71.8Confident68.7Low17 Ų1729.6 Ų29.68%0.07918%0.178CC..Hα-helixtrans-65.3-39.6176.4-78.6167.3-0.300113.5L376 S1244 A1245 N1251 Q1252L376-Q1248 HydrophobicContact CD2-CG 4.31Å; L376-Q1248 VanDerWaalsContact CD2-NE2 3.33Å; S1244-Q1248 WeakPolarHBondContact O-CB 3.4Å; S1244-Q1248 WeakPolarHBondContact O-CG 3.45Å; S1244-Q1248 PolarHBondContact O-N 2.76Å; A1245-Q1248 PolarHBondContact O-N 2.71Å; Q1248-N1251 PolarHBondContact O-N 3.46Å; Q1248-Q1252 PolarHBondContact O-N 2.83Å
1249L74.2Confident70.4Confident6 Ų625.7 Ų25.73%0.03115%0.154CC..Hα-helixtrans-61.6-47.1175.1-80.8163.3000111.8L1181 L1219 L1241 A1245 R1246 Q1252 A1253 L1317L1181-L1249 HydrophobicContact CD1-CD1 4.27Å; L1181-L1249 HydrophobicContact CD1-CG 4.03Å; L1181-L1249 HydrophobicContact CD2-CD1 4.48Å; L1181-L1249 HydrophobicContact CD2-CD2 3.61Å; L1181-L1249 HydrophobicContact CD2-CG 3.9Å; L1219-L1249 HydrophobicContact CD2-CD2 3.59Å; L1241-L1249 HydrophobicContact CD2-CD1 4.42Å; A1245-L1249 PolarHBondContact O-N 3.33Å; R1246-L1249 PolarHBondContact O-N 3.24Å; L1249-Q1252 PolarHBondContact O-N 3.45Å; L1249-A1253 PolarHBondContact O-N 3.15Å; L1249-L1317 HydrophobicContact CB-CD2 4.26Å
1250I78.6Confident71.7Confident1 Ų119.7 Ų19.71%0.00512%0.121CC..Hα-helixtrans-63.3-44.5178.1-66.1166.9000110.7M1223 R1246 V1247 Q1252 A1253 I1254 L1285 L1317 I1326 L1329M1223-I1250 HydrophobicContact CE-CG1 4.22Å; M1223-I1250 HydrophobicContact SD-CG1 4.47Å; R1246-I1250 WeakPolarHBondContact O-CG1 3.5Å; R1246-I1250 PolarHBondContact O-N 3.03Å; V1247-I1250 PolarHBondContact O-N 3.04Å; I1250-Q1252 VanDerWaalsContact C-N 3.28Å; I1250-Q1252 PolarHBondContact O-N 2.97Å; I1250-A1253 PolarHBondContact O-N 3.08Å; I1250-I1254 HydrophobicContact CG2-CD1 3.81Å; I1250-I1254 HydrophobicContact CG2-CG1 4.47Å; I1250-I1254 WeakPolarHBondContact O-CG1 3.45Å; I1250-I1254 PolarHBondContact O-N 3.22Å; I1250-L1285 HydrophobicContact CG2-CD1 3.89Å; I1250-L1317 HydrophobicContact CD1-CD2 4.07Å; I1250-L1317 HydrophobicContact CD1-CG 4.43Å; I1250-L1317 HydrophobicContact CG1-CD2 3.85Å; I1250-I1326 HydrophobicContact CD1-CD1 3.54Å; I1250-I1326 HydrophobicContact CD1-CG1 3.86Å; I1250-I1326 HydrophobicContact CG2-CG2 4.39Å; I1250-L1329 HydrophobicContact CB-CD1 4.42Å; I1250-L1329 HydrophobicContact CG2-CD1 4.21Å
1251N79.3Confident72.6Confident28 Ų2816.1 Ų16.115%0.1510%0.103CC..Hα-helixtrans-56.7-40.7174.6-171.116.2000112.1P380 V1247 Q1248 W1255 L1329P380-N1251 WeakPolarHBondContact CA-OD1 3.39Å; P380-N1251 VanDerWaalsContact CB-OD1 3.26Å; P380-N1251 WeakPolarHBondContact CB-OD1 3.32Å; P380-N1251 VanDerWaalsContact CG-OD1 3.26Å; P380-N1251 WeakPolarHBondContact CG-OD1 3.35Å; V1247-N1251 VanDerWaalsContact O-CB 3.28Å; V1247-N1251 WeakPolarHBondContact O-CB 3.2Å; V1247-N1251 PolarHBondContact O-N 2.89Å; Q1248-N1251 PolarHBondContact O-N 3.46Å; N1251-W1255 PolarHBondContact O-N 3.43Å; N1251-W1255 VanDerWaalsContact O-N 3.15Å; N1251-L1329 HydrophobicContact CB-CD1 3.84Å; N1251-L1329 HydrophobicContact CB-CD2 3.97Å
1252Q76.4Confident72.8Confident2 Ų216.4 Ų16.41%0.00911%0.106CC..Hα-helixtrans-69.6-40.6177.1-169.4175.7-1.700112.8V1185 C1188 L1219 Q1248 L1249 I1250 W1255 L1256V1185-Q1252 HydrophobicContact CG2-CB 3.83Å; V1185-Q1252 HydrophobicContact CG2-CG 3.78Å; C1188-Q1252 PolarHBondContact SG-NE2 3.12Å; L1219-Q1252 HydrophobicContact CD1-CB 4.28Å; L1219-Q1252 HydrophobicContact CD1-CG 3.8Å; Q1248-Q1252 PolarHBondContact O-N 2.83Å; L1249-Q1252 PolarHBondContact O-N 3.45Å; I1250-Q1252 VanDerWaalsContact C-N 3.28Å; I1250-Q1252 PolarHBondContact O-N 2.97Å; Q1252-W1255 PolarHBondContact O-N 2.69Å; Q1252-L1256 HydrophobicContact CG-CD1 4.17Å; Q1252-L1256 WeakPolarHBondContact O-CB 3.33Å; Q1252-L1256 PolarHBondContact O-N 3.02Å
1253A78.7Confident72.3Confident0 Ų020.5 Ų20.50%012%0.121CC..Hα-helixtrans-63.8-45.1178.100000111.5L1219 M1223 L1249 I1250 L1256 A1257 L1281L1219-A1253 HydrophobicContact CB-CB 4.44Å; M1223-A1253 HydrophobicContact SD-CB 3.63Å; L1249-A1253 PolarHBondContact O-N 3.15Å; I1250-A1253 PolarHBondContact O-N 3.08Å; A1253-L1256 PolarHBondContact O-N 3.28Å; A1253-A1257 WeakPolarHBondContact O-CB 3.32Å; A1253-A1257 PolarHBondContact O-N 3.43Å; A1253-L1281 HydrophobicContact CB-CD2 4.43Å
1254I81.4Confident71.3Confident0 Ų019 Ų190%011%0.113CC..Hα-helixtrans-58-50.1175.1-69.3168.7000110.9P380 F381 I1250 L1256 A1257 H1258 L1278 L1285P380-I1254 HydrophobicContact CG-CG2 4.21Å; F381-I1254 HydrophobicContact CZ-CG2 4.18Å; I1250-I1254 HydrophobicContact CG2-CD1 3.81Å; I1250-I1254 HydrophobicContact CG2-CG1 4.47Å; I1250-I1254 WeakPolarHBondContact O-CG1 3.45Å; I1250-I1254 PolarHBondContact O-N 3.22Å; I1254-L1256 PolarHBondContact O-N 3.06Å; I1254-A1257 PolarHBondContact O-N 3.13Å; I1254-H1258 WeakPolarHBondContact O-CB 3.44Å; I1254-H1258 PolarHBondContact O-N 2.93Å; I1254-H1258 VanDerWaalsContact O-N 3.11Å; I1254-L1278 HydrophobicContact CG2-CD1 4.22Å; I1254-L1285 HydrophobicContact CD1-CD1 4.36Å
1255W80.3Confident70.2Confident8 Ų820.2 Ų20.23%0.0312%0.115CC..Hα-helixtrans-63.6-39.6179.517777.5000113P380 C1188 R1189 A1192 N1251 Q1252 L1259P380-W1255 HydrophobicContact CB-CB 4.11Å; P380-W1255 VanDerWaalsContact O-CD1 3.3Å; C1188-W1255 HydrophobicContact CB-CZ3 4.06Å; R1189-W1255 HydrophobicContact CB-CH2 4.18Å; R1189-W1255 HydrophobicContact CB-CZ2 4.42Å; R1189-W1255 HydrophobicContact CG-CD2 4.26Å; R1189-W1255 HydrophobicContact CG-CE3 4.17Å; R1189-W1255 HydrophobicContact CG-CH2 3.48Å; R1189-W1255 VanDerWaalsContact CG-CH2 3.48Å; R1189-W1255 HydrophobicContact CG-CZ2 3.51Å; R1189-W1255 HydrophobicContact CG-CZ3 3.79Å; A1192-W1255 HydrophobicContact CB-CH2 4.08Å; A1192-W1255 HydrophobicContact CB-CZ2 4.49Å; N1251-W1255 PolarHBondContact O-N 3.43Å; N1251-W1255 VanDerWaalsContact O-N 3.15Å; Q1252-W1255 PolarHBondContact O-N 2.69Å; W1255-L1259 HydrophobicContact CH2-CD2 3.8Å; W1255-L1259 HydrophobicContact CZ2-CD2 3.97Å; W1255-L1259 PolarHBondContact O-N 3.45Å
1256L75.4Confident68.7Low0 Ų025.1 Ų25.10%015%0.149CC..Hα-helixtrans-70.7-37.8177.1-84.2170.9000113C1188 L1212 V1215 L1216 L1219 Q1252 A1253 I1254 L1259 I1260C1188-L1256 HydrophobicContact CB-CD2 4.41Å; L1212-L1256 HydrophobicContact CB-CD2 4.26Å; L1212-L1256 HydrophobicContact CD1-CD2 4.36Å; L1212-L1256 HydrophobicContact CD2-CD2 4.16Å; V1215-L1256 HydrophobicContact CG1-CD1 4.13Å; L1216-L1256 HydrophobicContact CB-CB 4.31Å; L1216-L1256 HydrophobicContact CD1-CB 4.03Å; L1219-L1256 HydrophobicContact CD1-CD1 3.65Å; Q1252-L1256 HydrophobicContact CG-CD1 4.17Å; Q1252-L1256 WeakPolarHBondContact O-CB 3.33Å; Q1252-L1256 PolarHBondContact O-N 3.02Å; A1253-L1256 PolarHBondContact O-N 3.28Å; I1254-L1256 PolarHBondContact O-N 3.06Å; L1256-L1259 PolarHBondContact O-N 3.43Å; L1256-I1260 HydrophobicContact CB-CD1 4.4Å; L1256-I1260 HydrophobicContact CD2-CD1 4.1Å; L1256-I1260 WeakPolarHBondContact O-CB 3.46Å; L1256-I1260 VanDerWaalsContact O-CD1 3.32Å; L1256-I1260 WeakPolarHBondContact O-CD1 3.37Å; L1256-I1260 VanDerWaalsContact O-CG1 3.27Å; L1256-I1260 WeakPolarHBondContact O-CG1 3.32Å; L1256-I1260 PolarHBondContact O-N 2.77Å
1257A78.1Confident66.9Low9 Ų933 Ų337%0.07419%0.187CC..Hα-helixtrans-62.9-43.6176.300000111.6L1216 A1253 I1254 L1259 I1260 G1261 L1278 L1281L1216-A1257 HydrophobicContact CD1-CB 4.26Å; L1216-A1257 HydrophobicContact CD2-CB 4.21Å; A1253-A1257 WeakPolarHBondContact O-CB 3.32Å; A1253-A1257 PolarHBondContact O-N 3.43Å; I1254-A1257 PolarHBondContact O-N 3.13Å; A1257-L1259 PolarHBondContact O-N 2.83Å; A1257-I1260 PolarHBondContact O-N 3.35Å; A1257-G1261 PolarHBondContact O-N 3.5Å; A1257-L1278 HydrophobicContact CB-CD1 4.01Å; A1257-L1281 HydrophobicContact CB-CD2 3.92Å
1258H78.9Confident64.7Low5 Ų539.3 Ų39.32%0.02322%0.219CC..Hα-helixtrans-59.2-44.7176.9175.680.6000113.4E308 S309 S310 F381 I1254 L1278 H1336 E1340E308-H1258 PolarHBondContact O-CD2 3.07Å; E308-H1258 PolarHBondContact O-NE2 3.4Å; S309-H1258 WeakPolarHBondContact CA-NE2 3.38Å; S310-H1258 WeakPolarHBondContact CB-O 3.33Å; S310-H1258 PolarHBondContact N-O 3.38Å; S310-H1258 PolarHBondContact OG-O 3.24Å; F381-H1258 HydrophobicContact CE1-CB 3.98Å; F381-H1258 AromaticContact CE1-CD2 3.64Å; F381-H1258 AromaticContact CE1-CG 3.66Å; F381-H1258 HydrophobicContact CZ-CB 4.49Å; I1254-H1258 WeakPolarHBondContact O-CB 3.44Å; I1254-H1258 PolarHBondContact O-N 2.93Å; I1254-H1258 VanDerWaalsContact O-N 3.11Å; H1258-L1278 HydrophobicContact CB-CD1 4.28Å; H1258-L1278 HydrophobicContact CB-CD2 3.86Å; H1258-H1336 AromaticContact NE2-NE2 3.98Å; H1258-E1340 IonicContact CE1-OE1 3.41Å; H1258-E1340 PolarHBondContact CE1-OE1 3.05Å; H1258-E1340 IonicContact CE1-OE2 3.7Å; H1258-E1340 PolarHBondContact CE1-OE2 3.31Å; H1258-E1340 IonicContact ND1-OE1 3.58Å
1259L74.8Confident62.6Low6 Ų643.2 Ų43.23%0.03125%0.249CC..Hα-helixtrans-67.3-39.6-178.3-179.171.9000113.6E308 R313 A1192 Y1209 L1212 W1255 L1256 A1257E308-L1259 WeakPolarHBondContact O-CA 3.42Å; R313-L1259 PolarHBondContact NH2-O 2.67Å; R313-L1259 VanDerWaalsContact NH2-O 3.11Å; A1192-L1259 HydrophobicContact CB-CD2 3.49Å; A1192-L1259 VanDerWaalsContact CB-CD2 3.49Å; Y1209-L1259 HydrophobicContact CD1-CD2 4.35Å; Y1209-L1259 HydrophobicContact CD2-CG 4.2Å; Y1209-L1259 HydrophobicContact CE1-CD1 4.35Å; Y1209-L1259 HydrophobicContact CE1-CD2 4.3Å; Y1209-L1259 HydrophobicContact CE1-CG 4.44Å; Y1209-L1259 HydrophobicContact CE2-CD1 3.97Å; Y1209-L1259 HydrophobicContact CE2-CD2 4.49Å; Y1209-L1259 HydrophobicContact CE2-CG 3.87Å; Y1209-L1259 HydrophobicContact CG-CD2 4.49Å; L1212-L1259 HydrophobicContact CD1-CD2 4.27Å; W1255-L1259 HydrophobicContact CH2-CD2 3.8Å; W1255-L1259 HydrophobicContact CZ2-CD2 3.97Å; W1255-L1259 PolarHBondContact O-N 3.45Å; L1256-L1259 PolarHBondContact O-N 3.43Å; A1257-L1259 PolarHBondContact O-N 2.83Å
1260I72.6Confident60.6Low13 Ų1352.5 Ų52.57%0.06729%0.292CS..Hα-helixtrans-88.7-44.2-165.1-68.8166.3000112.5L1212 L1216 L1256 A1257 S1264L1212-I1260 HydrophobicContact CB-CD1 3.86Å; L1216-I1260 HydrophobicContact CB-CD1 4.27Å; L1216-I1260 HydrophobicContact CD2-CD1 4.17Å; L1256-I1260 HydrophobicContact CB-CD1 4.4Å; L1256-I1260 HydrophobicContact CD2-CD1 4.1Å; L1256-I1260 WeakPolarHBondContact O-CB 3.46Å; L1256-I1260 VanDerWaalsContact O-CD1 3.32Å; L1256-I1260 WeakPolarHBondContact O-CD1 3.37Å; L1256-I1260 VanDerWaalsContact O-CG1 3.27Å; L1256-I1260 WeakPolarHBondContact O-CG1 3.32Å; L1256-I1260 PolarHBondContact O-N 2.77Å; A1257-I1260 PolarHBondContact O-N 3.35Å; I1260-S1264 WeakPolarHBondContact CG2-OG 3.2Å
1261G67.2Low58.4Low15 Ų1556.1 Ų56.116%0.15531%0.314CS..  trans69.6158.5-178.200000115.4S310 A1257 N1263 S1264S310-G1261 WeakPolarHBondContact OG-CA 3.02Å; S310-G1261 PolarHBondContact OG-N 3.17Å; A1257-G1261 PolarHBondContact O-N 3.5Å; G1261-N1263 PolarHBondContact O-N 2.94Å; G1261-S1264 PolarHBondContact O-OG 3.46Å
1262S58.9Low56.6Low24 Ų2461.3 Ų61.317%0.16835%0.349CS..G310 helixtrans-62.2-41.7-176.9-45.10000112.7S1264 L1265 A1277S1262-S1264 PolarHBondContact O-N 3.41Å; S1262-L1265 PolarHBondContact O-N 3.34Å; S1262-A1277 WeakPolarHBondContact OG-CB 3.48Å
1263N49.5Very low54.7Low134 Ų13465.6 Ų65.672%0.71737%0.372SS*.G310 helixtrans-62.2-3.8-171.9-63.3-19.8000115.1D314 G1261D314-N1263 PolarHBondContact OD2-ND2 2.93Å; G1261-N1263 PolarHBondContact O-N 2.94Å
1264S46.6Very low53.1Low30 Ų3068 Ų6821%0.2139%0.387CS..G310 helixtrans-91.3-7.1-175.7690000115.1I1260 G1261 S1262I1260-S1264 WeakPolarHBondContact CG2-OG 3.2Å; G1261-S1264 PolarHBondContact O-OG 3.46Å; S1262-S1264 PolarHBondContact O-N 3.41Å
1265L39.8Very low51.6Low83 Ų8373 Ų7344%0.43541%0.414SS..SBendtrans-100.965.9177.6-69.498.2000111.7S1262 H1267S1262-L1265 PolarHBondContact O-N 3.34Å; L1265-H1267 PolarHBondContact O-N 3.02Å
1266S34.5Very low50.5Low105 Ų10575.5 Ų75.573%0.73443%0.427SS*.  trans-58.1118.1-177.359.50000114N1268S1266-N1268 PolarHBondContact O-N 3.13Å
1267H32.1Very low50.1Low183 Ų18376 Ų7685%0.84743%0.431SS*.SBendtrans12.897.4159.2-70.6-82.4000117.6L1265L1265-H1267 PolarHBondContact O-N 3.02Å
1268N29.1Very low50Low156 Ų15676.5 Ų76.583%0.83443%0.433SS*.  trans-176.6155137.1-99.9-45.8000112.1S1266S1266-N1268 PolarHBondContact O-N 3.13Å
1269S29.1Very low50Low100 Ų10076.9 Ų76.970%0.69944%0.435SS*.SBendtrans76.5150.6178.6780000117.8T1271S1269-T1271 PolarHBondContact O-N 3Å
1270Q32Very low50.2Low201 Ų20180 Ų8094%0.93945%0.452SS*.SBendtrans-102.664.1-157.4-62162-56.500112.8
1271T31.7Very low50.8Low77 Ų7779.5 Ų79.547%0.47245%0.449SS..  trans-134.4132.5178.453.30000111.6S1269 D1273S1269-T1271 PolarHBondContact O-N 3Å; T1271-D1273 PolarHBondContact O-N 3.46Å
1272P40.9Very low51.6Low137 Ų13778.8 Ų78.889%0.8944%0.442SS*.SBendtrans-77.835.5-172.935.1-38.9000114.1
1273D38Very low52.9Low92 Ų9279.4 Ų79.449%0.49244%0.443SS..  trans-111.57.4-172.1-99.7-43.3000113R1224 T1271R1224-D1273 IonicContact CZ-OD1 3.5Å; R1224-D1273 IonicContact NH1-OD1 3.93Å; R1224-D1273 PolarHBondContact NH1-OD1 3.4Å; R1224-D1273 IonicContact NH2-OD1 2.95Å; T1271-D1273 PolarHBondContact O-N 3.46Å
1274T44Very low54.6Low51 Ų5173.7 Ų73.731%0.31342%0.415SS..SBendtrans-83.6-43.4-158.737.80000116.2
1275D50.5Low56.5Low104 Ų10472.3 Ų72.356%0.55641%0.405SS*.  trans-111.226.6-154.6-56.9-66.4000115.6A1277D1275-A1277 PolarHBondContact O-N 2.93Å
1276L57.7Low58.7Low60 Ų6068.4 Ų68.431%0.31438%0.384SS..  trans-64.6104-176.6-16580.5000112.2L1220 D1280 L1281L1220-L1276 HydrophobicContact CD1-CD2 3.8Å; L1220-L1276 HydrophobicContact CD2-CD2 3.97Å; L1276-D1280 HydrophobicContact CD1-CB 3.57Å; L1276-D1280 HydrophobicContact CG-CB 4.15Å; L1276-L1281 HydrophobicContact CD2-CB 4.21Å; L1276-L1281 HydrophobicContact CD2-CD1 4.4Å
1277A66.6Low61.1Low10 Ų1066.2 Ų66.28%0.08336%0.364CS..  trans-75.5169.3173.900000112S1262 D1275 D1279 D1280 L1281S1262-A1277 WeakPolarHBondContact OG-CB 3.48Å; D1275-A1277 PolarHBondContact O-N 2.93Å; A1277-D1279 PolarHBondContact O-N 3.46Å; A1277-D1280 WeakPolarHBondContact CA-OD2 3.47Å; A1277-D1280 WeakPolarHBondContact CB-OD2 3.18Å; A1277-D1280 PolarHBondContact N-OD2 3.41Å; A1277-D1280 PolarHBondContact O-N 2.62Å; A1277-L1281 PolarHBondContact O-N 3.4Å; A1277-L1281 VanDerWaalsContact O-N 3.14Å
1278L76.5Confident63.6Low21 Ų2157.7 Ų57.711%0.1133%0.325CS..Hα-helixtrans-57.2-40.6173.2179.164.7000111.8I1254 A1257 H1258 L1281 I1282I1254-L1278 HydrophobicContact CG2-CD1 4.22Å; A1257-L1278 HydrophobicContact CB-CD1 4.01Å; H1258-L1278 HydrophobicContact CB-CD1 4.28Å; H1258-L1278 HydrophobicContact CB-CD2 3.86Å; L1278-L1281 PolarHBondContact O-N 3.16Å; L1278-I1282 HydrophobicContact CD1-CD1 3.95Å; L1278-I1282 HydrophobicContact CD1-CG1 4.37Å; L1278-I1282 HydrophobicContact CG-CD1 3.91Å; L1278-I1282 WeakPolarHBondContact O-CG1 3.41Å; L1278-I1282 PolarHBondContact O-N 2.87Å
1279D77.1Confident66.3Low13 Ų1350.2 Ų50.27%0.0729%0.285CS..Hα-helixtrans-65.5-43.2-179.3-55.4-54.1000111.2A1277 L1281 I1282 L1283 R1384 I1391A1277-D1279 PolarHBondContact O-N 3.46Å; D1279-L1281 PolarHBondContact O-N 2.81Å; D1279-I1282 PolarHBondContact O-N 2.84Å; D1279-L1283 VanDerWaalsContact O-CB 3.25Å; D1279-L1283 WeakPolarHBondContact O-CB 3.44Å; D1279-L1283 PolarHBondContact O-N 2.86Å; D1279-R1384 WeakPolarHBondContact OD2-CD 3.38Å; D1279-R1384 IonicContact OD2-CZ 2.65Å; D1279-R1384 IonicContact OD2-NE 3.31Å; D1279-R1384 IonicContact OD2-NH1 3.5Å; D1279-R1384 PolarHBondContact OD2-NH1 2.7Å; D1279-I1391 HydrophobicContact CB-CD1 4.23Å
1280D80.2Confident68.9Low72 Ų7246 Ų4639%0.38526%0.255SS..Hα-helixtrans-62.6-41.3177.2-50.8-49.9000112L1276 A1277 L1283 A1284L1276-D1280 HydrophobicContact CD1-CB 3.57Å; L1276-D1280 HydrophobicContact CG-CB 4.15Å; A1277-D1280 WeakPolarHBondContact CA-OD2 3.47Å; A1277-D1280 WeakPolarHBondContact CB-OD2 3.18Å; A1277-D1280 PolarHBondContact N-OD2 3.41Å; A1277-D1280 PolarHBondContact O-N 2.62Å; D1280-L1283 PolarHBondContact O-N 2.85Å; D1280-A1284 VanDerWaalsContact O-CB 3.3Å; D1280-A1284 WeakPolarHBondContact O-CB 3.37Å; D1280-A1284 PolarHBondContact O-N 2.95Å
1281L83.9Confident71.3Confident1 Ų139.4 Ų39.41%0.00523%0.228CC..Hα-helixtrans-62.9-43175.8176.460.2000111.6L1220 M1223 A1253 A1257 L1276 A1277 L1278 D1279 L1285 Y1315L1220-L1281 HydrophobicContact CD2-CD1 3.63Å; L1220-L1281 HydrophobicContact CD2-CD2 4.31Å; M1223-L1281 HydrophobicContact CE-CD1 4.09Å; A1253-L1281 HydrophobicContact CB-CD2 4.43Å; A1257-L1281 HydrophobicContact CB-CD2 3.92Å; L1276-L1281 HydrophobicContact CD2-CB 4.21Å; L1276-L1281 HydrophobicContact CD2-CD1 4.4Å; A1277-L1281 PolarHBondContact O-N 3.4Å; A1277-L1281 VanDerWaalsContact O-N 3.14Å; L1278-L1281 PolarHBondContact O-N 3.16Å; D1279-L1281 PolarHBondContact O-N 2.81Å; L1281-L1285 HydrophobicContact CD1-CD1 4.28Å; L1281-L1285 HydrophobicContact CG-CD1 4.33Å; L1281-L1285 WeakPolarHBondContact O-CB 3.39Å; L1281-L1285 WeakPolarHBondContact O-CD1 3.24Å; L1281-L1285 VanDerWaalsContact O-CG 3.28Å; L1281-L1285 WeakPolarHBondContact O-CG 3.35Å; L1281-L1285 PolarHBondContact O-N 3.13Å; L1281-L1285 VanDerWaalsContact O-N 3.12Å; L1281-Y1315 HydrophobicContact CD1-CE2 3.97Å; L1281-Y1315 WeakPolarHBondContact CD1-OH 3.47Å
1282I85.4Confident73.6Confident1 Ų136.9 Ų36.91%0.00521%0.213CC..Hα-helixtrans-71.4-39.9178.1-65.1170.9000110.5L1278 D1279 L1285 C1286 I1330 I1391L1278-I1282 HydrophobicContact CD1-CD1 3.95Å; L1278-I1282 HydrophobicContact CD1-CG1 4.37Å; L1278-I1282 HydrophobicContact CG-CD1 3.91Å; L1278-I1282 WeakPolarHBondContact O-CG1 3.41Å; L1278-I1282 PolarHBondContact O-N 2.87Å; D1279-I1282 PolarHBondContact O-N 2.84Å; I1282-L1285 PolarHBondContact O-N 3.48Å; I1282-C1286 WeakPolarHBondContact O-CB 3.18Å; I1282-C1286 PolarHBondContact O-N 3.48Å; I1282-C1286 PolarHBondContact O-SG 3.38Å; I1282-I1330 HydrophobicContact CG2-CG2 4.12Å; I1282-I1391 HydrophobicContact CB-CD1 3.97Å; I1282-I1391 HydrophobicContact CG2-CD1 3.86Å; I1282-I1391 HydrophobicContact CG2-CG1 4.2Å; I1282-I1391 HydrophobicContact CG2-CG2 3.77Å
1283L86.5Confident75.5Confident36 Ų3632 Ų3219%0.18818%0.179CC..Hα-helixtrans-62.1-47.8177.7-177.960.7000111.2D1279 D1280 L1285 C1286 N1287 E1390 I1391D1279-L1283 VanDerWaalsContact O-CB 3.25Å; D1279-L1283 WeakPolarHBondContact O-CB 3.44Å; D1279-L1283 PolarHBondContact O-N 2.86Å; D1280-L1283 PolarHBondContact O-N 2.85Å; L1283-L1285 PolarHBondContact O-N 3.17Å; L1283-C1286 PolarHBondContact O-N 3.02Å; L1283-C1286 VanDerWaalsContact O-N 3.09Å; L1283-N1287 VanDerWaalsContact O-CG 3.31Å; L1283-N1287 PolarHBondContact O-N 3.46Å; L1283-N1287 PolarHBondContact O-ND2 3.19Å; L1283-E1390 HydrophobicContact CD1-CB 4.28Å; L1283-E1390 HydrophobicContact CD2-CB 4.45Å; L1283-I1391 HydrophobicContact CB-CG1 3.87Å; L1283-I1391 HydrophobicContact CD1-CG1 4.14Å
1284A85.1Confident77.5Confident15 Ų1529 Ų2912%0.12417%0.17CC..Hα-helixtrans-59.5-43.3174.100000112D1280 C1286 N1287 D1288 T1314 Y1315D1280-A1284 VanDerWaalsContact O-CB 3.3Å; D1280-A1284 WeakPolarHBondContact O-CB 3.37Å; D1280-A1284 PolarHBondContact O-N 2.95Å; A1284-C1286 VanDerWaalsContact C-N 3.31Å; A1284-C1286 PolarHBondContact O-N 3.06Å; A1284-N1287 PolarHBondContact O-N 3.39Å; A1284-D1288 WeakPolarHBondContact O-CB 3.43Å; A1284-D1288 PolarHBondContact O-N 3.14Å; A1284-T1314 HydrophobicContact CB-CG2 4.29Å; A1284-Y1315 HydrophobicContact CB-CD2 4.47Å; A1284-Y1315 HydrophobicContact CB-CE2 3.75Å
1285L85.9Confident79.3Confident1 Ų128.1 Ų28.11%0.00516%0.163CC..Hα-helixtrans-64-31.8173.6-74.6168.9000113.3M1223 I1250 I1254 L1281 I1282 L1283 L1289 Y1315 V1318 I1330M1223-L1285 HydrophobicContact CE-CD1 4.39Å; M1223-L1285 HydrophobicContact CE-CD2 3.98Å; M1223-L1285 HydrophobicContact CE-CG 4.49Å; I1250-L1285 HydrophobicContact CG2-CD1 3.89Å; I1254-L1285 HydrophobicContact CD1-CD1 4.36Å; L1281-L1285 HydrophobicContact CD1-CD1 4.28Å; L1281-L1285 HydrophobicContact CG-CD1 4.33Å; L1281-L1285 WeakPolarHBondContact O-CB 3.39Å; L1281-L1285 WeakPolarHBondContact O-CD1 3.24Å; L1281-L1285 VanDerWaalsContact O-CG 3.28Å; L1281-L1285 WeakPolarHBondContact O-CG 3.35Å; L1281-L1285 PolarHBondContact O-N 3.13Å; L1281-L1285 VanDerWaalsContact O-N 3.12Å; I1282-L1285 PolarHBondContact O-N 3.48Å; L1283-L1285 PolarHBondContact O-N 3.17Å; L1285-L1289 WeakPolarHBondContact O-CB 3.23Å; L1285-L1289 WeakPolarHBondContact O-CD1 3.42Å; L1285-L1289 WeakPolarHBondContact O-CG 3.44Å; L1285-L1289 PolarHBondContact O-N 3.42Å; L1285-Y1315 HydrophobicContact CD2-CD2 3.88Å; L1285-Y1315 HydrophobicContact CD2-CE2 4.49Å; L1285-Y1315 HydrophobicContact CG-CD2 4.2Å; L1285-Y1315 HydrophobicContact CG-CE2 4.36Å; L1285-V1318 HydrophobicContact CD2-CG2 3.87Å; L1285-I1330 HydrophobicContact CB-CD1 4.26Å
1286C85.7Confident80.5Confident0 Ų023.6 Ų23.60%014%0.14CC..Hα-helixtrans-76.6-35.5175.8-65.50000112.1I1282 L1283 A1284 L1289 T1290 Q1394 L1395I1282-C1286 WeakPolarHBondContact O-CB 3.18Å; I1282-C1286 PolarHBondContact O-N 3.48Å; I1282-C1286 PolarHBondContact O-SG 3.38Å; L1283-C1286 PolarHBondContact O-N 3.02Å; L1283-C1286 VanDerWaalsContact O-N 3.09Å; A1284-C1286 VanDerWaalsContact C-N 3.31Å; A1284-C1286 PolarHBondContact O-N 3.06Å; C1286-L1289 PolarHBondContact O-N 3.35Å; C1286-T1290 PolarHBondContact O-N 3.35Å; C1286-T1290 PolarHBondContact O-OG1 3.22Å; C1286-T1290 VanDerWaalsContact O-OG1 3.11Å; C1286-Q1394 HydrophobicContact CB-CB 4.21Å; C1286-Q1394 HydrophobicContact CB-CG 4.09Å; C1286-L1395 HydrophobicContact CB-CD2 4.33Å; C1286-L1395 HydrophobicContact CB-CG 4.32Å
1287N86.2Confident81Confident60 Ų6023.5 Ų23.532%0.32115%0.148SC..Hα-helixtrans-60-51.3170-69.5-22.4000110.4L1283 A1284 L1289 T1290 T1291 Q1394L1283-N1287 VanDerWaalsContact O-CG 3.31Å; L1283-N1287 PolarHBondContact O-N 3.46Å; L1283-N1287 PolarHBondContact O-ND2 3.19Å; A1284-N1287 PolarHBondContact O-N 3.39Å; N1287-L1289 VanDerWaalsContact C-N 3.29Å; N1287-L1289 PolarHBondContact O-N 3.36Å; N1287-T1290 PolarHBondContact O-N 3.16Å; N1287-T1291 PolarHBondContact O-N 3.27Å; N1287-Q1394 VanDerWaalsContact OD1-CD 3.23Å; N1287-Q1394 VanDerWaalsContact OD1-CG 3.28Å; N1287-Q1394 WeakPolarHBondContact OD1-CG 3.34Å; N1287-Q1394 PolarHBondContact OD1-NE2 3.39Å
1288D84.5Confident80.8Confident3 Ų328.2 Ų28.22%0.01617%0.171CC..Hα-helixtrans-60.3-34.9176.9-70.5-4.8000112.8A1284 T1291 V1292 V1313 T1314 Y1315 V1318A1284-D1288 WeakPolarHBondContact O-CB 3.43Å; A1284-D1288 PolarHBondContact O-N 3.14Å; D1288-T1291 PolarHBondContact O-OG1 3.04Å; D1288-T1291 VanDerWaalsContact O-OG1 3.12Å; D1288-V1292 VanDerWaalsContact O-CB 3.29Å; D1288-V1292 WeakPolarHBondContact O-CB 3.42Å; D1288-V1292 WeakPolarHBondContact O-CG2 3.12Å; D1288-V1292 PolarHBondContact O-N 2.83Å; D1288-V1313 HydrophobicContact CB-CG1 3.66Å; D1288-T1314 VanDerWaalsContact OD1-CB 3.24Å; D1288-T1314 WeakPolarHBondContact OD1-CB 3.49Å; D1288-T1314 PolarHBondContact OD1-N 3.25Å; D1288-T1314 PolarHBondContact OD1-OG1 3.3Å; D1288-T1314 WeakPolarHBondContact OD2-CB 3.41Å; D1288-T1314 PolarHBondContact OD2-N 2.94Å; D1288-Y1315 WeakPolarHBondContact OD2-CB 3.28Å; D1288-Y1315 WeakPolarHBondContact OD2-CD2 3.49Å; D1288-Y1315 PolarHBondContact OD2-N 3.09Å; D1288-V1318 HydrophobicContact CB-CB 4.14Å; D1288-V1318 HydrophobicContact CB-CG1 4.22Å; D1288-V1318 HydrophobicContact CB-CG2 4.03Å
1289L84.3Confident79.8Confident0 Ų029.9 Ų29.90%018%0.182CC..Hα-helixtrans-69.9-37.5173.1-77.9168.6000112.5L1285 C1286 N1287 V1292 L1293 V1318 A1323 I1326 L1327 I1330L1285-L1289 WeakPolarHBondContact O-CB 3.23Å; L1285-L1289 WeakPolarHBondContact O-CD1 3.42Å; L1285-L1289 WeakPolarHBondContact O-CG 3.44Å; L1285-L1289 PolarHBondContact O-N 3.42Å; C1286-L1289 PolarHBondContact O-N 3.35Å; N1287-L1289 VanDerWaalsContact C-N 3.29Å; N1287-L1289 PolarHBondContact O-N 3.36Å; L1289-V1292 PolarHBondContact O-N 3.22Å; L1289-L1293 HydrophobicContact CD2-CD1 4.42Å; L1289-L1293 VanDerWaalsContact O-CB 3.24Å; L1289-L1293 WeakPolarHBondContact O-CB 3.23Å; L1289-L1293 WeakPolarHBondContact O-CG 3.45Å; L1289-L1293 PolarHBondContact O-N 2.99Å; L1289-V1318 HydrophobicContact CD2-CG1 3.91Å; L1289-V1318 HydrophobicContact CG-CG1 4.23Å; L1289-A1323 VanDerWaalsContact CD2-CA 3.48Å; L1289-A1323 HydrophobicContact CD2-CB 3.51Å; L1289-I1326 HydrophobicContact CD1-CG2 4.22Å; L1289-L1327 HydrophobicContact CD1-CD2 4.01Å; L1289-I1330 HydrophobicContact CD1-CD1 3.37Å
1290T84.2Confident78.5Confident12 Ų1238 Ų387%0.07422%0.217CC..Hα-helixtrans-69.6-40177-610000111.8C1286 N1287 V1292 G1294 Q1394 T1398C1286-T1290 PolarHBondContact O-N 3.35Å; C1286-T1290 PolarHBondContact O-OG1 3.22Å; C1286-T1290 VanDerWaalsContact O-OG1 3.11Å; N1287-T1290 PolarHBondContact O-N 3.16Å; T1290-V1292 VanDerWaalsContact C-N 3.3Å; T1290-V1292 PolarHBondContact O-N 3.3Å; T1290-G1294 CarbonylContact O-C 3.3Å; T1290-G1294 WeakPolarHBondContact O-CA 3.33Å; T1290-G1294 PolarHBondContact O-N 2.99Å; T1290-Q1394 PolarHBondContact OG1-NE2 3.04Å; T1290-T1398 PolarHBondContact OG1-OG1 2.93Å
1291T82Confident76.5Confident61 Ų6140.8 Ų40.837%0.37423%0.232SC..Hα-helixtrans-66.8-32175.158.30000112.4N1287 D1288N1287-T1291 PolarHBondContact O-N 3.27Å; D1288-T1291 PolarHBondContact O-OG1 3.04Å; D1288-T1291 VanDerWaalsContact O-OG1 3.12Å
1292V80.3Confident74.3Confident24 Ų2447.6 Ų47.615%0.14527%0.267CS..Hα-helixtrans-85.5-26.2-179.3169.40000114.2D1288 L1289 T1290 V1313 V1318 R1320 A1323D1288-V1292 VanDerWaalsContact O-CB 3.29Å; D1288-V1292 WeakPolarHBondContact O-CB 3.42Å; D1288-V1292 WeakPolarHBondContact O-CG2 3.12Å; D1288-V1292 PolarHBondContact O-N 2.83Å; L1289-V1292 PolarHBondContact O-N 3.22Å; T1290-V1292 VanDerWaalsContact C-N 3.3Å; T1290-V1292 PolarHBondContact O-N 3.3Å; V1292-V1313 HydrophobicContact CG2-CG2 4.27Å; V1292-V1318 HydrophobicContact CG2-CG1 4.3Å; V1292-R1320 HydrophobicContact CG1-CB 4.1Å; V1292-A1323 HydrophobicContact CG1-CB 4.1Å
1293L81.2Confident71.8Confident34 Ų3452.3 Ų52.318%0.17830%0.3CS..Hα-helixtrans-101.4-24.5179.2-65.9173.4000113.7L1289 A1323 V1324 T1398 L1400L1289-L1293 HydrophobicContact CD2-CD1 4.42Å; L1289-L1293 VanDerWaalsContact O-CB 3.24Å; L1289-L1293 WeakPolarHBondContact O-CB 3.23Å; L1289-L1293 WeakPolarHBondContact O-CG 3.45Å; L1289-L1293 PolarHBondContact O-N 2.99Å; L1293-A1323 HydrophobicContact CD1-CB 4.21Å; L1293-A1323 HydrophobicContact CD2-CB 3.86Å; L1293-A1323 HydrophobicContact CG-CB 4.02Å; L1293-V1324 HydrophobicContact CD2-CG2 4.47Å; L1293-T1398 HydrophobicContact CB-CG2 3.92Å; L1293-T1398 HydrophobicContact CD1-CG2 3.66Å; L1293-T1398 HydrophobicContact CG-CG2 4.4Å; L1293-L1400 HydrophobicContact CD1-CD2 4.26Å
1294G79.7Confident69.3Low29 Ų2959.5 Ų59.530%0.29933%0.33SS..  trans103.8170.1-175.800000113.5T1290 A1399T1290-G1294 CarbonylContact O-C 3.3Å; T1290-G1294 WeakPolarHBondContact O-CA 3.33Å; T1290-G1294 PolarHBondContact O-N 2.99Å; G1294-A1399 WeakPolarHBondContact O-CB 3.49Å; G1294-A1399 PolarHBondContact O-N 3.45Å
1295N81.5Confident66.9Low33 Ų3364.8 Ų64.818%0.17636%0.36CS..BIsolated β-bridgetrans-105.8135.3-178.8167.921.4000110.4A1297 D1298 Q1397N1295-A1297 VanDerWaalsContact C-N 3.26Å; N1295-A1297 PolarHBondContact O-N 3.4Å; N1295-A1297 PolarHBondContact OD1-N 3.48Å; N1295-A1297 VanDerWaalsContact OD1-N 3.07Å; N1295-D1298 VanDerWaalsContact CB-OD2 3.31Å; N1295-D1298 WeakPolarHBondContact CB-OD2 3.49Å; N1295-D1298 PolarHBondContact ND2-OD1 2.98Å; N1295-D1298 PolarHBondContact ND2-OD2 3.38Å; N1295-D1298 PolarHBondContact O-N 2.98Å; N1295-Q1397 WeakPolarHBondContact CA-O 3.37Å; N1295-Q1397 PolarHBondContact ND2-NE2 3.15Å; N1295-Q1397 WeakPolarHBondContact OD1-CG 3.3Å; N1295-Q1397 PolarHBondContact OD1-NE2 3.46Å
1296V76.9Confident64.5Low10 Ų1070.3 Ų70.36%0.06140%0.396CS..G310 helixtrans-62.6-28.6-179.9173.10000113.3Q1397 T1398 A1399 V1460 L1461 Y1464V1296-Q1397 WeakPolarHBondContact CG2-O 3.43Å; V1296-Q1397 PolarHBondContact N-O 3.47Å; V1296-T1398 WeakPolarHBondContact CG2-O 3.3Å; V1296-A1399 HydrophobicContact CG2-CB 4.47Å; V1296-V1460 HydrophobicContact CG1-CG1 3.89Å; V1296-L1461 HydrophobicContact CG2-CD1 4.21Å; V1296-Y1464 VanDerWaalsContact CG1-CB 3.43Å; V1296-Y1464 HydrophobicContact CG1-CD1 4.33Å; V1296-Y1464 HydrophobicContact CG1-CD2 4.06Å; V1296-Y1464 HydrophobicContact CG1-CG 3.69Å; V1296-Y1464 HydrophobicContact CG2-CD1 4.43Å; V1296-Y1464 HydrophobicContact CG2-CG 4.48Å
1297A66.7Low62Low58 Ų5876.6 Ų76.648%0.47943%0.43SS..G310 helixtrans-70.6-31.1-176.800000113.7N1295 V1299N1295-A1297 VanDerWaalsContact C-N 3.26Å; N1295-A1297 PolarHBondContact O-N 3.4Å; N1295-A1297 PolarHBondContact OD1-N 3.48Å; N1295-A1297 VanDerWaalsContact OD1-N 3.07Å; A1297-V1299 VanDerWaalsContact C-N 3.34Å; A1297-V1299 PolarHBondContact O-N 3.06Å
1298D62.6Low59.7Low109 Ų10981.6 Ų81.658%0.58346%0.457SS*.G310 helixtrans-91.32.2-163.7-48.9-24.1000112.9N1295 K1300N1295-D1298 VanDerWaalsContact CB-OD2 3.31Å; N1295-D1298 WeakPolarHBondContact CB-OD2 3.49Å; N1295-D1298 PolarHBondContact ND2-OD1 2.98Å; N1295-D1298 PolarHBondContact ND2-OD2 3.38Å; N1295-D1298 PolarHBondContact O-N 2.98Å; D1298-K1300 PolarHBondContact O-N 3.05Å
1299V56.2Low57.6Low56 Ų5690.7 Ų90.734%0.33950%0.496SS..THydrogen-bonded Turntrans-73.44.8-169.5-171.10000113.5A1297 I1302 Y1464A1297-V1299 VanDerWaalsContact C-N 3.34Å; A1297-V1299 PolarHBondContact O-N 3.06Å; V1299-I1302 HydrophobicContact CG1-CD1 4.16Å; V1299-I1302 WeakPolarHBondContact O-CG1 3.34Å; V1299-Y1464 HydrophobicContact CG1-CE2 4.22Å; V1299-Y1464 HydrophobicContact CG2-CD2 4.38Å; V1299-Y1464 HydrophobicContact CG2-CE2 4.11Å
1300K49.1Very low55.7Low184 Ų18499.9 Ų99.980%0.854%0.539SS*.THydrogen-bonded Turntrans-82.3-26.2-178.8-71.8-172.8176.7-179.30114.3D1298 I1302D1298-K1300 PolarHBondContact O-N 3.05Å; K1300-I1302 PolarHBondContact O-N 3.41Å
1301D38.4Very low54.4Low129 Ų129105.1 Ų105.169%0.6957%0.566SS**  trans-106.953.8-169.5-60.5-44.2000112.5S1303D1301-S1303 PolarHBondContact O-N 2.92Å
1302I37.8Very low53.3Low144 Ų144108.4 Ų108.474%0.73859%0.586SS**THydrogen-bonded Turntrans-77.261.2178.5-45.2180000110.8V1299 K1300V1299-I1302 HydrophobicContact CG1-CD1 4.16Å; V1299-I1302 WeakPolarHBondContact O-CG1 3.34Å; K1300-I1302 PolarHBondContact O-N 3.41Å
1303S34Very low52.7Low101 Ų101108.9 Ų108.971%0.70659%0.589SS**THydrogen-bonded Turntrans-138.5-2.4174.263.60000114.4D1301D1301-S1303 PolarHBondContact O-N 2.92Å
1304F33.3Very low52.2Low186 Ų186110.6 Ų110.682%0.81660%0.601SS**  trans-131.4127.7167.9-93.2-89.8000111.6
1305V34.3Very low52Low126 Ų126109.4 Ų109.476%0.76459%0.587SS**  trans-98.9114.1163.6177.10000106.8D1307V1305-D1307 PolarHBondContact O-N 3.42Å
1306P36.7Very low51.3Low118 Ų118109.8 Ų109.877%0.76659%0.592SS**  trans-80.4113.6172.130.4-30.6000109.5
1307D32.2Very low51Low131 Ų131109.7 Ų109.770%0.70159%0.591SS**  trans-66.8140.3173.1-67.6-45.1000111.6V1305 K1309V1305-D1307 PolarHBondContact O-N 3.42Å; D1307-K1309 PolarHBondContact O-N 2.93Å
1308D37.4Very low51.3Low166 Ų166107.2 Ų107.289%0.88857%0.57SS**  trans3861.7152.4-63-12.1000117.8
1309K40.3Very low51.8Low193 Ų193103.5 Ų103.584%0.83955%0.551SS**  trans-113142.2157.8-72.3-174177.6179.40111.4D1307 L1311D1307-K1309 PolarHBondContact O-N 2.93Å; K1309-L1311 PolarHBondContact O-N 3.44Å
1310E45.3Very low52.5Low193 Ų193110.7 Ų110.790%0.90257%0.572SS**  trans-66.6103.8-165.6-61.2-179.6133.200112.7T1312E1310-T1312 PolarHBondContact O-N 3.4Å
1311L55.8Low53.5Low123 Ų123105.1 Ų105.164%0.64456%0.557SS**  trans-69.8108.8168.9-77.1162.5000109.5K1309 V1313K1309-L1311 PolarHBondContact O-N 3.44Å; L1311-V1313 PolarHBondContact O-N 3.1Å
1312T59.2Low55.2Low130 Ų13099 Ų9980%0.79852%0.524SS*.  trans-74.6115.7173.643.70000110.2E1310E1310-T1312 PolarHBondContact O-N 3.4Å
1313V67.7Low57.1Low34 Ų3492.1 Ų92.121%0.20649%0.489CS..  trans-122.6131.9-176.6-176.70000108.6D1288 V1292 L1311 Y1315 V1318D1288-V1313 HydrophobicContact CB-CG1 3.66Å; V1292-V1313 HydrophobicContact CG2-CG2 4.27Å; L1311-V1313 PolarHBondContact O-N 3.1Å; V1313-Y1315 VanDerWaalsContact C-N 3.3Å; V1313-Y1315 PolarHBondContact O-N 3.37Å; V1313-V1318 HydrophobicContact CG1-CB 4.45Å
1314T70.9Confident59.4Low70 Ų7090.1 Ų90.143%0.42947%0.472SS..SBendtrans-62.9-38.7-175.4-36.90000111.8A1284 D1288A1284-T1314 HydrophobicContact CB-CG2 4.29Å; D1288-T1314 VanDerWaalsContact OD1-CB 3.24Å; D1288-T1314 WeakPolarHBondContact OD1-CB 3.49Å; D1288-T1314 PolarHBondContact OD1-N 3.25Å; D1288-T1314 PolarHBondContact OD1-OG1 3.3Å; D1288-T1314 WeakPolarHBondContact OD2-CB 3.41Å; D1288-T1314 PolarHBondContact OD2-N 2.94Å
1315Y76.7Confident61.5Low3 Ų383.8 Ų83.81%0.01245%0.451CS..  trans-125.896.5177.2-58.1-65.9000110.3M1223 R1224 L1281 A1284 L1285 D1288 V1313 L1317 V1318M1223-Y1315 HydrophobicContact CB-CD1 3.46Å; M1223-Y1315 VanDerWaalsContact CB-CD1 3.46Å; M1223-Y1315 HydrophobicContact CB-CE1 4.03Å; M1223-Y1315 HydrophobicContact CB-CG 4.12Å; M1223-Y1315 HydrophobicContact CE-CD1 4.02Å; M1223-Y1315 HydrophobicContact CE-CD2 4.13Å; M1223-Y1315 HydrophobicContact CE-CE1 4.18Å; M1223-Y1315 HydrophobicContact CE-CE2 4.3Å; M1223-Y1315 HydrophobicContact CE-CG 3.97Å; M1223-Y1315 CarbonylContact O-C 3.55Å; M1223-Y1315 VanDerWaalsContact O-CA 3.28Å; M1223-Y1315 WeakPolarHBondContact O-CA 3.5Å; R1224-Y1315 HydrophobicContact CG-CD1 3.78Å; R1224-Y1315 HydrophobicContact CG-CE1 3.71Å; L1281-Y1315 HydrophobicContact CD1-CE2 3.97Å; L1281-Y1315 WeakPolarHBondContact CD1-OH 3.47Å; A1284-Y1315 HydrophobicContact CB-CD2 4.47Å; A1284-Y1315 HydrophobicContact CB-CE2 3.75Å; L1285-Y1315 HydrophobicContact CD2-CD2 3.88Å; L1285-Y1315 HydrophobicContact CD2-CE2 4.49Å; L1285-Y1315 HydrophobicContact CG-CD2 4.2Å; L1285-Y1315 HydrophobicContact CG-CE2 4.36Å; D1288-Y1315 WeakPolarHBondContact OD2-CB 3.28Å; D1288-Y1315 WeakPolarHBondContact OD2-CD2 3.49Å; D1288-Y1315 PolarHBondContact OD2-N 3.09Å; V1313-Y1315 VanDerWaalsContact C-N 3.3Å; V1313-Y1315 PolarHBondContact O-N 3.37Å; Y1315-L1317 PolarHBondContact O-N 2.96Å; Y1315-V1318 PolarHBondContact O-N 3.17Å
1316P67Low63.8Low41 Ų4177.8 Ų77.827%0.26641%0.414SS..THydrogen-bonded Turntrans-55.1-8.9178.3-28.736.4000116.1M1223 V1318M1223-P1316 WeakPolarHBondContact O-CD 3.44Å; P1316-V1318 VanDerWaalsContact C-N 3.25Å; P1316-V1318 PolarHBondContact O-N 3.02Å
1317L70.4Confident66.1Low9 Ų972.2 Ų72.25%0.04738%0.378CS..THydrogen-bonded Turntrans-65.7-23.3169.4-162.566.1000113.7M1223 I1227 L1241 R1246 L1249 I1250 Y1315 T1319 S1322M1223-L1317 HydrophobicContact CG-CD2 3.85Å; I1227-L1317 HydrophobicContact CD1-CD1 4.11Å; L1241-L1317 HydrophobicContact CD2-CD1 4.45Å; R1246-L1317 HydrophobicContact CB-CD1 3.92Å; R1246-L1317 HydrophobicContact CB-CG 4.04Å; R1246-L1317 HydrophobicContact CG-CD1 3.62Å; R1246-L1317 HydrophobicContact CG-CG 4.25Å; L1249-L1317 HydrophobicContact CB-CD2 4.26Å; I1250-L1317 HydrophobicContact CD1-CD2 4.07Å; I1250-L1317 HydrophobicContact CD1-CG 4.43Å; I1250-L1317 HydrophobicContact CG1-CD2 3.85Å; Y1315-L1317 PolarHBondContact O-N 2.96Å; L1317-T1319 PolarHBondContact O-N 2.94Å; L1317-S1322 PolarHBondContact O-OG 3.41Å
1318V73.1Confident68.6Low5 Ų568 Ų683%0.0336%0.358CS..  trans-81.2104.4173.9-173.30000108.8L1285 D1288 L1289 V1292 V1313 Y1315 P1316 I1326L1285-V1318 HydrophobicContact CD2-CG2 3.87Å; D1288-V1318 HydrophobicContact CB-CB 4.14Å; D1288-V1318 HydrophobicContact CB-CG1 4.22Å; D1288-V1318 HydrophobicContact CB-CG2 4.03Å; L1289-V1318 HydrophobicContact CD2-CG1 3.91Å; L1289-V1318 HydrophobicContact CG-CG1 4.23Å; V1292-V1318 HydrophobicContact CG2-CG1 4.3Å; V1313-V1318 HydrophobicContact CG1-CB 4.45Å; Y1315-V1318 PolarHBondContact O-N 3.17Å; P1316-V1318 VanDerWaalsContact C-N 3.25Å; P1316-V1318 PolarHBondContact O-N 3.02Å; V1318-I1326 HydrophobicContact CG1-CD1 4.39Å; V1318-I1326 HydrophobicContact CG2-CD1 4.3Å
1319T72.2Confident70.7Confident32 Ų3260.3 Ų60.320%0.19632%0.317CS..  trans-122.7158-179.7640000109.6R1246 L1317 S1321 S1322 A1323R1246-T1319 PolarHBondContact NH1-OG1 3.24Å; L1317-T1319 PolarHBondContact O-N 2.94Å; T1319-S1321 PolarHBondContact O-N 3.37Å; T1319-S1321 PolarHBondContact OG1-OG 3.21Å; T1319-S1322 PolarHBondContact N-OG 3.42Å; T1319-S1322 PolarHBondContact O-N 3.49Å; T1319-S1322 PolarHBondContact O-OG 2.71Å; T1319-S1322 PolarHBondContact OG1-N 3.44Å; T1319-S1322 PolarHBondContact OG1-OG 3.12Å; T1319-A1323 PolarHBondContact O-N 2.91Å
1320R71.2Confident72.9Confident207 Ų20751.1 Ų51.178%0.78128%0.277SS*.THydrogen-bonded Turntrans-54.7-25.2-179.7-156.2173.7-171.6174.94.3113.8V1292V1292-R1320 HydrophobicContact CG1-CB 4.1Å
1321S69.7Low75Confident67 Ų6742.5 Ų42.547%0.46924%0.236SC..THydrogen-bonded Turntrans-84.3-19.8174.767.20000115.5T1319T1319-S1321 PolarHBondContact O-N 3.37Å; T1319-S1321 PolarHBondContact OG1-OG 3.21Å
1322S74.8Confident76.3Confident0 Ų038 Ų380%022%0.215CC..THydrogen-bonded Turntrans-101.6-27176.549.60000113.3L1317 T1319 V1324 S1325 I1326L1317-S1322 PolarHBondContact O-OG 3.41Å; T1319-S1322 PolarHBondContact N-OG 3.42Å; T1319-S1322 PolarHBondContact O-N 3.49Å; T1319-S1322 PolarHBondContact O-OG 2.71Å; T1319-S1322 PolarHBondContact OG1-N 3.44Å; T1319-S1322 PolarHBondContact OG1-OG 3.12Å; S1322-V1324 PolarHBondContact O-N 3.06Å; S1322-S1325 CarbonylContact O-C 3.52Å; S1322-S1325 WeakPolarHBondContact O-CA 3.35Å; S1322-S1325 WeakPolarHBondContact O-CB 3.47Å; S1322-S1325 PolarHBondContact O-N 2.94Å; S1322-I1326 WeakPolarHBondContact O-CG1 3.24Å; S1322-I1326 PolarHBondContact O-N 3.45Å; S1322-I1326 VanDerWaalsContact O-N 3.11Å
1323A78.1Confident77.5Confident0 Ų031.8 Ų31.80%018%0.177CC..Hα-helixtrans-46.9-55.2-174.900000114.1L1289 V1292 L1293 T1319 S1325 I1326 L1327L1289-A1323 VanDerWaalsContact CD2-CA 3.48Å; L1289-A1323 HydrophobicContact CD2-CB 3.51Å; V1292-A1323 HydrophobicContact CG1-CB 4.1Å; L1293-A1323 HydrophobicContact CD1-CB 4.21Å; L1293-A1323 HydrophobicContact CD2-CB 3.86Å; L1293-A1323 HydrophobicContact CG-CB 4.02Å; T1319-A1323 PolarHBondContact O-N 2.91Å; A1323-S1325 PolarHBondContact O-N 3.39Å; A1323-I1326 WeakPolarHBondContact O-CB 3.2Å; A1323-I1326 PolarHBondContact O-N 3.19Å; A1323-L1327 PolarHBondContact O-N 2.91Å
1324V80.4Confident78.4Confident58 Ų5830.3 Ų30.335%0.35217%0.168SC..Hα-helixtrans-62.4-26.6179.5-175.20000112.6L1293 S1322 P1328 H1406L1293-V1324 HydrophobicContact CD2-CG2 4.47Å; S1322-V1324 PolarHBondContact O-N 3.06Å; V1324-P1328 WeakPolarHBondContact O-CD 3.35Å; V1324-H1406 PolarHBondContact O-CE1 3.45Å
1325S78.3Confident79.2Confident54 Ų5431 Ų3138%0.37817%0.165SC..Hα-helixtrans-84.9-11.4176-55.90000113.8S1322 A1323S1322-S1325 CarbonylContact O-C 3.52Å; S1322-S1325 WeakPolarHBondContact O-CA 3.35Å; S1322-S1325 WeakPolarHBondContact O-CB 3.47Å; S1322-S1325 PolarHBondContact O-N 2.94Å; A1323-S1325 PolarHBondContact O-N 3.39Å
1326I82.9Confident79.6Confident0 Ų032.3 Ų32.30%017%0.171CC..Hα-helixtrans-89.1-34.9176.2-65.2160.8000110.5V1247 I1250 L1289 V1318 S1322 A1323 P1328 L1329 I1330V1247-I1326 HydrophobicContact CG2-CG1 4.24Å; I1250-I1326 HydrophobicContact CD1-CD1 3.54Å; I1250-I1326 HydrophobicContact CD1-CG1 3.86Å; I1250-I1326 HydrophobicContact CG2-CG2 4.39Å; L1289-I1326 HydrophobicContact CD1-CG2 4.22Å; V1318-I1326 HydrophobicContact CG1-CD1 4.39Å; V1318-I1326 HydrophobicContact CG2-CD1 4.3Å; S1322-I1326 WeakPolarHBondContact O-CG1 3.24Å; S1322-I1326 PolarHBondContact O-N 3.45Å; S1322-I1326 VanDerWaalsContact O-N 3.11Å; A1323-I1326 WeakPolarHBondContact O-CB 3.2Å; A1323-I1326 PolarHBondContact O-N 3.19Å; I1326-P1328 VanDerWaalsContact C-CD 3.44Å; I1326-P1328 VanDerWaalsContact C-N 3.34Å; I1326-L1329 WeakPolarHBondContact O-CB 3.08Å; I1326-L1329 PolarHBondContact O-N 3.39Å; I1326-I1330 HydrophobicContact CG2-CD1 3.92Å; I1326-I1330 HydrophobicContact CG2-CG1 4.22Å; I1326-I1330 PolarHBondContact O-N 3.32Å
1327L85.1Confident80.4Confident1 Ų130.5 Ų30.51%0.00516%0.159CC..Hα-helixtrans-47-44.5178.6-67.1169.4000114.3L1289 A1323 L1329 I1330 Y1331 L1395 L1400 H1406L1289-L1327 HydrophobicContact CD1-CD2 4.01Å; A1323-L1327 PolarHBondContact O-N 2.91Å; L1327-L1329 VanDerWaalsContact C-N 3.29Å; L1327-L1329 PolarHBondContact O-N 2.93Å; L1327-I1330 PolarHBondContact O-N 3.26Å; L1327-Y1331 HydrophobicContact CB-CD2 4.48Å; L1327-Y1331 HydrophobicContact CB-CE2 3.98Å; L1327-Y1331 HydrophobicContact CD2-CE1 4.47Å; L1327-Y1331 WeakPolarHBondContact O-CB 3.34Å; L1327-Y1331 WeakPolarHBondContact O-CD2 3.42Å; L1327-Y1331 PolarHBondContact O-N 2.86Å; L1327-L1395 HydrophobicContact CD2-CD2 4.35Å; L1327-L1400 HydrophobicContact CD1-CD2 3.46Å; L1327-L1400 VanDerWaalsContact CD1-CD2 3.46Å; L1327-L1400 HydrophobicContact CD2-CD2 4.07Å; L1327-L1400 HydrophobicContact CG-CD2 4.44Å; L1327-H1406 HydrophobicContact CD1-CB 4.39Å
1328P84.4Confident81.3Confident42 Ų4230.3 Ų30.327%0.27316%0.158SC..Hα-helixtrans-63.8-28.9178.3-22.535.4000114.4V1324 I1326 S1332V1324-P1328 WeakPolarHBondContact O-CD 3.35Å; I1326-P1328 VanDerWaalsContact C-CD 3.44Å; I1326-P1328 VanDerWaalsContact C-N 3.34Å; P1328-S1332 WeakPolarHBondContact O-CB 3.39Å; P1328-S1332 PolarHBondContact O-N 3.12Å
1329L82.1Confident81.9Confident5 Ų534.7 Ų34.73%0.02618%0.178CC..Hα-helixtrans-68.7-48.1174.2-60.3179.4000110.4T378 V1247 I1250 N1251 I1326 L1327 S1332 S1333T378-L1329 WeakPolarHBondContact O-CD2 3.43Å; V1247-L1329 HydrophobicContact CG1-CD1 3.74Å; V1247-L1329 HydrophobicContact CG1-CD2 4.41Å; V1247-L1329 HydrophobicContact CG1-CG 4.18Å; V1247-L1329 WeakPolarHBondContact O-CD1 3.44Å; I1250-L1329 HydrophobicContact CB-CD1 4.42Å; I1250-L1329 HydrophobicContact CG2-CD1 4.21Å; N1251-L1329 HydrophobicContact CB-CD1 3.84Å; N1251-L1329 HydrophobicContact CB-CD2 3.97Å; I1326-L1329 WeakPolarHBondContact O-CB 3.08Å; I1326-L1329 PolarHBondContact O-N 3.39Å; L1327-L1329 VanDerWaalsContact C-N 3.29Å; L1327-L1329 PolarHBondContact O-N 2.93Å; L1329-S1332 CarbonylContact O-C 3.58Å; L1329-S1332 PolarHBondContact O-N 3.04Å; L1329-S1333 PolarHBondContact O-N 3.49Å
1330I86.7Confident82.5Confident0 Ų033.4 Ų33.40%017%0.17CC..Hα-helixtrans-63.7-45.2-179.9-64.9177.6000110I1282 L1285 L1289 I1326 L1327 S1332 S1333 L1334 L1395I1282-I1330 HydrophobicContact CG2-CG2 4.12Å; L1285-I1330 HydrophobicContact CB-CD1 4.26Å; L1289-I1330 HydrophobicContact CD1-CD1 3.37Å; I1326-I1330 HydrophobicContact CG2-CD1 3.92Å; I1326-I1330 HydrophobicContact CG2-CG1 4.22Å; I1326-I1330 PolarHBondContact O-N 3.32Å; L1327-I1330 PolarHBondContact O-N 3.26Å; I1330-S1332 VanDerWaalsContact C-N 3.3Å; I1330-S1332 PolarHBondContact O-N 2.76Å; I1330-S1333 PolarHBondContact O-N 3.48Å; I1330-L1334 HydrophobicContact CG2-CD1 3.89Å; I1330-L1334 HydrophobicContact CG2-CG 4.32Å; I1330-L1334 WeakPolarHBondContact O-CG 3.48Å; I1330-L1334 PolarHBondContact O-N 2.95Å; I1330-L1395 HydrophobicContact CG2-CD1 3.99Å
1331Y88Confident83.3Confident11 Ų1123.8 Ų23.84%0.04313%0.134CC..Hα-helixtrans-61.5-36.6174.3-61.7-21.6000112.7L1327 S1333 K1335 L1395 L1400 H1406 T1409 L1410 I1413L1327-Y1331 HydrophobicContact CB-CD2 4.48Å; L1327-Y1331 HydrophobicContact CB-CE2 3.98Å; L1327-Y1331 HydrophobicContact CD2-CE1 4.47Å; L1327-Y1331 WeakPolarHBondContact O-CB 3.34Å; L1327-Y1331 WeakPolarHBondContact O-CD2 3.42Å; L1327-Y1331 PolarHBondContact O-N 2.86Å; Y1331-S1333 VanDerWaalsContact C-N 3.35Å; Y1331-K1335 WeakPolarHBondContact O-CB 3.31Å; Y1331-K1335 WeakPolarHBondContact O-CG 3.39Å; Y1331-K1335 PolarHBondContact O-N 3.48Å; Y1331-L1395 HydrophobicContact CE1-CD1 4.45Å; Y1331-L1400 VanDerWaalsContact OH-CD1 3.3Å; Y1331-L1400 WeakPolarHBondContact OH-CD1 3.32Å; Y1331-H1406 HydrophobicContact CE2-CB 3.89Å; Y1331-H1406 AromaticContact CE2-ND1 3.78Å; Y1331-H1406 WeakPolarHBondContact CE2-O 3.24Å; Y1331-H1406 PolarHBondContact OH-O 3.46Å; Y1331-T1409 WeakPolarHBondContact CD2-OG1 3.33Å; Y1331-T1409 WeakPolarHBondContact CE2-OG1 3.36Å; Y1331-L1410 HydrophobicContact CE1-CD1 4.43Å; Y1331-I1413 HydrophobicContact CD1-CD1 3.75Å; Y1331-I1413 HydrophobicContact CG-CD1 3.95Å
1332S83.7Confident84.1Confident28 Ų2823 Ų2320%0.19612%0.122CC..Hα-helixtrans-71.3-28.8173.1-170.40000113.2S379 P1328 L1329 I1330 H1336S379-S1332 VanDerWaalsContact CA-OG 3.24Å; S379-S1332 WeakPolarHBondContact CA-OG 3.33Å; S379-S1332 VanDerWaalsContact CB-OG 3.22Å; S379-S1332 WeakPolarHBondContact CB-OG 3.45Å; P1328-S1332 WeakPolarHBondContact O-CB 3.39Å; P1328-S1332 PolarHBondContact O-N 3.12Å; L1329-S1332 CarbonylContact O-C 3.58Å; L1329-S1332 PolarHBondContact O-N 3.04Å; I1330-S1332 VanDerWaalsContact C-N 3.3Å; I1330-S1332 PolarHBondContact O-N 2.76Å; S1332-H1336 WeakPolarHBondContact O-CB 3.43Å; S1332-H1336 PolarHBondContact O-N 3.06Å
1333S84.5Confident84.6Confident0 Ų024.4 Ų24.40%013%0.128CC..Hα-helixtrans-73.1-48.1175-153.90000110.9L1329 I1330 Y1331 K1335 H1336 S1337L1329-S1333 PolarHBondContact O-N 3.49Å; I1330-S1333 PolarHBondContact O-N 3.48Å; Y1331-S1333 VanDerWaalsContact C-N 3.35Å; S1333-K1335 VanDerWaalsContact C-N 3.35Å; S1333-K1335 PolarHBondContact O-N 3.23Å; S1333-H1336 WeakPolarHBondContact O-CA 3.36Å; S1333-H1336 WeakPolarHBondContact O-CB 3.25Å; S1333-H1336 PolarHBondContact O-N 2.81Å; S1333-S1337 PolarHBondContact O-N 2.89Å; S1333-S1337 PolarHBondContact O-OG 2.9Å
1334L87.1Confident85Confident3 Ų324.5 Ų24.52%0.01613%0.128CC..Hα-helixtrans-59.3-44.1175.8-68.3170.8000111.7I1330 H1336 S1337 I1338 L1388 I1391 L1395 I1413I1330-L1334 HydrophobicContact CG2-CD1 3.89Å; I1330-L1334 HydrophobicContact CG2-CG 4.32Å; I1330-L1334 WeakPolarHBondContact O-CG 3.48Å; I1330-L1334 PolarHBondContact O-N 2.95Å; L1334-H1336 PolarHBondContact O-N 3.06Å; L1334-S1337 PolarHBondContact O-N 3.45Å; L1334-I1338 VanDerWaalsContact O-CB 3.31Å; L1334-I1338 WeakPolarHBondContact O-CB 3.43Å; L1334-I1338 VanDerWaalsContact O-CD1 3.28Å; L1334-I1338 WeakPolarHBondContact O-CD1 3.34Å; L1334-I1338 WeakPolarHBondContact O-CG1 3.22Å; L1334-I1338 PolarHBondContact O-N 3.49Å; L1334-L1388 HydrophobicContact CD2-CD1 3.5Å; L1334-I1391 HydrophobicContact CD1-CG2 4.31Å; L1334-I1391 HydrophobicContact CD2-CG2 3.94Å; L1334-L1395 HydrophobicContact CD1-CD1 3.43Å; L1334-L1395 VanDerWaalsContact CD1-CD1 3.43Å; L1334-I1413 HydrophobicContact CB-CD1 4.32Å; L1334-I1413 HydrophobicContact CB-CG2 4.38Å; L1334-I1413 HydrophobicContact CD1-CG2 4.44Å
1335K86.7Confident85.2Confident86 Ų8622.2 Ų22.237%0.37411%0.114SC..Hα-helixtrans-65.5-23.4174.7-72.8-174.8176-170.20113.6Y1331 S1333 H1339 E1412 I1413Y1331-K1335 WeakPolarHBondContact O-CB 3.31Å; Y1331-K1335 WeakPolarHBondContact O-CG 3.39Å; Y1331-K1335 PolarHBondContact O-N 3.48Å; S1333-K1335 VanDerWaalsContact C-N 3.35Å; S1333-K1335 PolarHBondContact O-N 3.23Å; K1335-H1339 PolarHBondContact O-N 3.35Å; K1335-E1412 IonicContact NZ-OE2 3.89Å; K1335-E1412 PolarHBondContact NZ-OE2 3.24Å; K1335-I1413 HydrophobicContact CD-CG1 4.32Å; K1335-I1413 HydrophobicContact CG-CD1 4.14Å; K1335-I1413 HydrophobicContact CG-CG1 3.8Å
1336H84.9Confident85.4Confident29 Ų2922.5 Ų22.513%0.13411%0.114CC..Hα-helixtrans-79.4-50173.3-168.854.3000111.4F381 H1258 S1332 S1333 L1334 I1338 H1339 E1340F381-H1336 AromaticContact CD1-CD2 3.39Å; F381-H1336 WeakPolarHBondContact CD1-CD2 3.34Å; F381-H1336 AromaticContact CD1-NE2 3.47Å; F381-H1336 WeakPolarHBondContact CD1-NE2 3.39Å; F381-H1336 HydrophobicContact CD2-CB 3.77Å; F381-H1336 AromaticContact CD2-CD2 3.43Å; F381-H1336 VanDerWaalsContact CD2-CD2 3.43Å; F381-H1336 WeakPolarHBondContact CD2-CD2 3.31Å; F381-H1336 AromaticContact CD2-CG 3.64Å; F381-H1336 AromaticContact CE1-CD2 3.73Å; F381-H1336 HydrophobicContact CE2-CB 4Å; F381-H1336 AromaticContact CE2-CD2 3.76Å; F381-H1336 HydrophobicContact CG-CB 4.41Å; F381-H1336 AromaticContact CG-CD2 3.24Å; F381-H1336 WeakPolarHBondContact CG-CD2 3.46Å; F381-H1336 AromaticContact CG-CG 3.77Å; F381-H1336 AromaticContact CG-NE2 3.43Å; F381-H1336 WeakPolarHBondContact CG-NE2 3.46Å; F381-H1336 AromaticContact CZ-CD2 3.9Å; H1258-H1336 AromaticContact NE2-NE2 3.98Å; S1332-H1336 WeakPolarHBondContact O-CB 3.43Å; S1332-H1336 PolarHBondContact O-N 3.06Å; S1333-H1336 WeakPolarHBondContact O-CA 3.36Å; S1333-H1336 WeakPolarHBondContact O-CB 3.25Å; S1333-H1336 PolarHBondContact O-N 2.81Å; L1334-H1336 PolarHBondContact O-N 3.06Å; H1336-I1338 VanDerWaalsContact C-N 3.3Å; H1336-I1338 PolarHBondContact O-N 3.21Å; H1336-H1339 WeakPolarHBondContact O-CA 3.44Å; H1336-H1339 WeakPolarHBondContact O-CB 3.46Å; H1336-H1339 PolarHBondContact O-N 3.16Å; H1336-E1340 IonicContact CD2-OE1 3.44Å; H1336-E1340 PolarHBondContact CD2-OE1 2.99Å; H1336-E1340 VanDerWaalsContact CD2-OE1 3.31Å; H1336-E1340 IonicContact CG-OE1 3.48Å; H1336-E1340 IonicContact NE2-OE1 2.72Å; H1336-E1340 PolarHBondContact O-N 2.95Å
1337S84.8Confident85.1Confident4 Ų424.4 Ų24.43%0.02812%0.124CC..Hα-helixtrans-59.7-39.7176.4-53.10000112S1333 L1334 H1339 E1340 Y1341S1333-S1337 PolarHBondContact O-N 2.89Å; S1333-S1337 PolarHBondContact O-OG 2.9Å; L1334-S1337 PolarHBondContact O-N 3.45Å; S1337-H1339 VanDerWaalsContact C-N 3.31Å; S1337-H1339 PolarHBondContact O-N 3.34Å; S1337-E1340 PolarHBondContact O-N 2.98Å; S1337-Y1341 WeakPolarHBondContact O-CB 3.4Å; S1337-Y1341 WeakPolarHBondContact O-CD1 3.44Å; S1337-Y1341 VanDerWaalsContact O-CD2 3.22Å; S1337-Y1341 WeakPolarHBondContact O-CD2 3.23Å; S1337-Y1341 PolarHBondContact O-N 2.94Å
1338I87.8Confident84.8Confident4 Ų425.4 Ų25.42%0.02113%0.129CC..Hα-helixtrans-62.5-37.6173.9-68.4162.3000111.5L1334 H1336 Y1341 E1342 L1388 I1413 V1417 L1420L1334-I1338 VanDerWaalsContact O-CB 3.31Å; L1334-I1338 WeakPolarHBondContact O-CB 3.43Å; L1334-I1338 VanDerWaalsContact O-CD1 3.28Å; L1334-I1338 WeakPolarHBondContact O-CD1 3.34Å; L1334-I1338 WeakPolarHBondContact O-CG1 3.22Å; L1334-I1338 PolarHBondContact O-N 3.49Å; H1336-I1338 VanDerWaalsContact C-N 3.3Å; H1336-I1338 PolarHBondContact O-N 3.21Å; I1338-Y1341 PolarHBondContact O-N 3.4Å; I1338-E1342 WeakPolarHBondContact O-CB 3.43Å; I1338-E1342 WeakPolarHBondContact O-CG 3.46Å; I1338-E1342 PolarHBondContact O-N 2.99Å; I1338-L1388 HydrophobicContact CG1-CD1 4.43Å; I1338-L1388 HydrophobicContact CG1-CD2 4.12Å; I1338-I1413 HydrophobicContact CD1-CG2 4.01Å; I1338-V1417 HydrophobicContact CD1-CG2 3.43Å; I1338-V1417 VanDerWaalsContact CD1-CG2 3.43Å; I1338-V1417 HydrophobicContact CG1-CG2 3.94Å; I1338-L1420 HydrophobicContact CG2-CD2 4.42Å
1339H85.7Confident84.4Confident98 Ų9825.2 Ų25.245%0.45413%0.128SC..Hα-helixtrans-67.1-42.7174.8174.3-81.3000111.9K1335 H1336 S1337 Y1341 E1342 W1343K1335-H1339 PolarHBondContact O-N 3.35Å; H1336-H1339 WeakPolarHBondContact O-CA 3.44Å; H1336-H1339 WeakPolarHBondContact O-CB 3.46Å; H1336-H1339 PolarHBondContact O-N 3.16Å; S1337-H1339 VanDerWaalsContact C-N 3.31Å; S1337-H1339 PolarHBondContact O-N 3.34Å; H1339-Y1341 VanDerWaalsContact C-N 3.31Å; H1339-Y1341 PolarHBondContact O-N 3.26Å; H1339-E1342 PolarHBondContact O-N 2.83Å; H1339-W1343 VanDerWaalsContact O-CB 3.32Å; H1339-W1343 WeakPolarHBondContact O-CB 3.18Å; H1339-W1343 PolarHBondContact O-N 2.95Å
1340E85.3Confident83.7Confident4 Ų426.2 Ų26.22%0.01913%0.133CC..Hα-helixtrans-59.7-41.9172.1-68166.8-113.100111.7L305 S309 L312 H1258 H1336 S1337 W1343 F1344L305-E1340 HydrophobicContact CD1-CG 3.97Å; L305-E1340 HydrophobicContact CD2-CG 4.42Å; L305-E1340 HydrophobicContact CG-CG 4.25Å; S309-E1340 WeakPolarHBondContact CB-OE2 3.31Å; S309-E1340 PolarHBondContact OG-OE2 3.45Å; L312-E1340 HydrophobicContact CD1-CB 4.32Å; L312-E1340 HydrophobicContact CD1-CG 4.16Å; H1258-E1340 IonicContact CE1-OE1 3.41Å; H1258-E1340 PolarHBondContact CE1-OE1 3.05Å; H1258-E1340 IonicContact CE1-OE2 3.7Å; H1258-E1340 PolarHBondContact CE1-OE2 3.31Å; H1258-E1340 IonicContact ND1-OE1 3.58Å; H1336-E1340 IonicContact CD2-OE1 3.44Å; H1336-E1340 PolarHBondContact CD2-OE1 2.99Å; H1336-E1340 VanDerWaalsContact CD2-OE1 3.31Å; H1336-E1340 IonicContact CG-OE1 3.48Å; H1336-E1340 IonicContact NE2-OE1 2.72Å; H1336-E1340 PolarHBondContact O-N 2.95Å; S1337-E1340 PolarHBondContact O-N 2.98Å; E1340-W1343 PolarHBondContact O-N 3.25Å; E1340-F1344 WeakPolarHBondContact O-CB 3.34Å; E1340-F1344 PolarHBondContact O-N 2.89Å
1341Y88.8Confident82.7Confident6 Ų629.4 Ų29.42%0.02415%0.151CC..Hα-helixtrans-70.5-36.3179.2-60.9-17.3000112.6F311 S1337 I1338 H1339 L1345 F1381 R1384 L1385 L1388 L1420F311-Y1341 HydrophobicContact CD1-CE1 4.16Å; F311-Y1341 HydrophobicContact CE1-CD1 4.02Å; F311-Y1341 AromaticContact CE1-CE1 3.99Å; F311-Y1341 HydrophobicContact CE1-CE1 3.99Å; S1337-Y1341 WeakPolarHBondContact O-CB 3.4Å; S1337-Y1341 WeakPolarHBondContact O-CD1 3.44Å; S1337-Y1341 VanDerWaalsContact O-CD2 3.22Å; S1337-Y1341 WeakPolarHBondContact O-CD2 3.23Å; S1337-Y1341 PolarHBondContact O-N 2.94Å; I1338-Y1341 PolarHBondContact O-N 3.4Å; H1339-Y1341 VanDerWaalsContact C-N 3.31Å; H1339-Y1341 PolarHBondContact O-N 3.26Å; Y1341-L1345 VanDerWaalsContact O-CB 3.25Å; Y1341-L1345 WeakPolarHBondContact O-CB 3.34Å; Y1341-L1345 PolarHBondContact O-N 2.94Å; Y1341-L1345 VanDerWaalsContact O-N 3.12Å; Y1341-F1381 HydrophobicContact CD1-CD2 4.39Å; Y1341-F1381 AromaticContact CD1-CE2 3.92Å; Y1341-F1381 HydrophobicContact CD1-CE2 3.92Å; Y1341-F1381 AromaticContact CG-CE2 3.85Å; Y1341-F1381 HydrophobicContact CG-CE2 3.85Å; Y1341-R1384 HydrophobicContact CE1-CB 4.04Å; Y1341-R1384 HydrophobicContact CE1-CG 4.48Å; Y1341-L1385 HydrophobicContact CD2-CD2 3.67Å; Y1341-L1385 HydrophobicContact CE2-CD2 4.25Å; Y1341-L1385 HydrophobicContact CG-CD2 4.23Å; Y1341-L1388 HydrophobicContact CD2-CD2 4.02Å; Y1341-L1388 HydrophobicContact CE2-CB 4.39Å; Y1341-L1388 HydrophobicContact CE2-CD1 4.28Å; Y1341-L1388 HydrophobicContact CE2-CD2 4Å; Y1341-L1388 HydrophobicContact CE2-CG 4.46Å; Y1341-L1420 HydrophobicContact CD2-CD2 4.31Å; Y1341-L1420 HydrophobicContact CG-CD2 4.49Å
1342E86.5Confident81.6Confident49 Ų4930.5 Ų30.523%0.22916%0.155CC..Hα-helixtrans-65.1-40.2169.3-77.3-170119.400111.9I1338 H1339 T1346 L1420 R1423I1338-E1342 WeakPolarHBondContact O-CB 3.43Å; I1338-E1342 WeakPolarHBondContact O-CG 3.46Å; I1338-E1342 PolarHBondContact O-N 2.99Å; H1339-E1342 PolarHBondContact O-N 2.83Å; E1342-T1346 WeakPolarHBondContact O-CB 3.48Å; E1342-T1346 PolarHBondContact O-N 3.47Å; E1342-T1346 VanDerWaalsContact O-N 3.11Å; E1342-T1346 PolarHBondContact O-OG1 3.38Å; E1342-L1420 HydrophobicContact CG-CD1 4.03Å; E1342-R1423 IonicContact OE1-CZ 3.48Å; E1342-R1423 IonicContact OE1-NH1 2.77Å; E1342-R1423 PolarHBondContact OE1-NH1 3.4Å; E1342-R1423 IonicContact OE1-NH2 2.73Å; E1342-R1423 PolarHBondContact OE1-NH2 3.39Å
1343W85.1Confident80.3Confident31 Ų3130.2 Ų30.212%0.11716%0.155CC..Hα-helixtrans-66.6-51.1177.4-178.690.1000111.5D302 L305 V306 L312 H1339 E1340 L1345 T1346 N1347D302-W1343 HydrophobicContact CB-CZ2 3.91Å; D302-W1343 PolarHBondContact OD1-NE1 3.1Å; D302-W1343 PolarHBondContact OD2-NE1 3.37Å; L305-W1343 HydrophobicContact CD2-CB 4.03Å; L305-W1343 HydrophobicContact CD2-CD2 3.94Å; L305-W1343 HydrophobicContact CD2-CE3 4.31Å; L305-W1343 HydrophobicContact CD2-CG 3.77Å; V306-W1343 HydrophobicContact CG2-CH2 3.64Å; V306-W1343 HydrophobicContact CG2-CZ2 4.36Å; V306-W1343 HydrophobicContact CG2-CZ3 3.99Å; L312-W1343 HydrophobicContact CD1-CE3 3.98Å; L312-W1343 HydrophobicContact CD1-CZ3 4.13Å; L312-W1343 HydrophobicContact CD2-CE3 4.05Å; L312-W1343 HydrophobicContact CD2-CZ3 4.06Å; H1339-W1343 VanDerWaalsContact O-CB 3.32Å; H1339-W1343 WeakPolarHBondContact O-CB 3.18Å; H1339-W1343 PolarHBondContact O-N 2.95Å; E1340-W1343 PolarHBondContact O-N 3.25Å; W1343-L1345 PolarHBondContact O-N 3.21Å; W1343-T1346 CarbonylContact O-C 3.46Å; W1343-T1346 WeakPolarHBondContact O-CA 3.42Å; W1343-T1346 WeakPolarHBondContact O-CB 3.31Å; W1343-T1346 PolarHBondContact O-N 3.29Å; W1343-N1347 HydrophobicContact CH2-CB 4.5Å; W1343-N1347 PolarHBondContact O-N 3.05Å
1344F86.4Confident78.9Confident1 Ų131.4 Ų31.40%0.00417%0.166CC..Hα-helixtrans-58.9-47.1-179.9-178.2-95.1000112.1F311 L312 L315 E1340 T1346 N1347 I1348 K1377 F1381F311-F1344 HydrophobicContact CE1-CD2 4.17Å; F311-F1344 HydrophobicContact CE1-CE2 4.45Å; F311-F1344 HydrophobicContact CE1-CG 4.21Å; F311-F1344 HydrophobicContact CZ-CD1 4.35Å; F311-F1344 HydrophobicContact CZ-CD2 4.34Å; F311-F1344 HydrophobicContact CZ-CE1 4.26Å; F311-F1344 HydrophobicContact CZ-CE2 4.23Å; F311-F1344 HydrophobicContact CZ-CG 4.37Å; F311-F1344 HydrophobicContact CZ-CZ 4.17Å; L312-F1344 HydrophobicContact CD2-CB 3.98Å; L312-F1344 HydrophobicContact CD2-CD2 3.65Å; L312-F1344 HydrophobicContact CD2-CG 4.22Å; L315-F1344 HydrophobicContact CB-CE2 3.85Å; L315-F1344 HydrophobicContact CB-CZ 4.33Å; L315-F1344 HydrophobicContact CD1-CE2 3.93Å; L315-F1344 HydrophobicContact CD1-CZ 3.87Å; E1340-F1344 WeakPolarHBondContact O-CB 3.34Å; E1340-F1344 PolarHBondContact O-N 2.89Å; F1344-T1346 VanDerWaalsContact C-N 3.27Å; F1344-T1346 PolarHBondContact O-N 2.93Å; F1344-N1347 PolarHBondContact O-N 3.49Å; F1344-N1347 VanDerWaalsContact O-N 3.15Å; F1344-I1348 HydrophobicContact CD1-CD1 3.98Å; F1344-I1348 HydrophobicContact CE1-CD1 3.29Å; F1344-I1348 HydrophobicContact CE1-CG1 4.27Å; F1344-I1348 HydrophobicContact CE2-CD1 4.27Å; F1344-I1348 HydrophobicContact CZ-CD1 3.5Å; F1344-I1348 HydrophobicContact CZ-CG1 4.43Å; F1344-I1348 PolarHBondContact O-N 2.98Å; F1344-K1377 HydrophobicContact CZ-CB 4.16Å; F1344-F1381 HydrophobicContact CD1-CB 4.26Å; F1344-F1381 HydrophobicContact CD1-CD1 4.34Å; F1344-F1381 AromaticContact CD1-CD2 3.64Å; F1344-F1381 HydrophobicContact CD1-CD2 3.64Å; F1344-F1381 AromaticContact CD1-CE2 3.96Å; F1344-F1381 HydrophobicContact CD1-CE2 3.96Å; F1344-F1381 AromaticContact CD1-CG 3.85Å; F1344-F1381 HydrophobicContact CD1-CG 3.85Å; F1344-F1381 HydrophobicContact CD1-CZ 4.44Å; F1344-F1381 HydrophobicContact CE1-CB 3.66Å; F1344-F1381 HydrophobicContact CE1-CD1 4.36Å; F1344-F1381 AromaticContact CE1-CD2 3.92Å; F1344-F1381 HydrophobicContact CE1-CD2 3.92Å; F1344-F1381 AromaticContact CE1-CG 3.75Å; F1344-F1381 HydrophobicContact CE1-CG 3.75Å; F1344-F1381 HydrophobicContact CZ-CB 4.5Å
1345L85.5Confident77.2Confident11 Ų1137.1 Ų37.16%0.05819%0.188CC..Hα-helixtrans-63-34.2174.5178.560.9000112.3Y1341 W1343 S1349 F1381 L1420 R1423 L1424 Y1427Y1341-L1345 VanDerWaalsContact O-CB 3.25Å; Y1341-L1345 WeakPolarHBondContact O-CB 3.34Å; Y1341-L1345 PolarHBondContact O-N 2.94Å; Y1341-L1345 VanDerWaalsContact O-N 3.12Å; W1343-L1345 PolarHBondContact O-N 3.21Å; L1345-S1349 WeakPolarHBondContact O-CB 3.4Å; L1345-S1349 PolarHBondContact O-N 3.47Å; L1345-S1349 VanDerWaalsContact O-N 3.11Å; L1345-F1381 HydrophobicContact CB-CE1 4.19Å; L1345-F1381 HydrophobicContact CB-CZ 4.07Å; L1345-F1381 HydrophobicContact CD1-CE1 4.34Å; L1345-L1420 HydrophobicContact CD2-CD1 3.92Å; L1345-R1423 HydrophobicContact CD2-CB 3.69Å; L1345-L1424 HydrophobicContact CD1-CD1 3.95Å; L1345-L1424 HydrophobicContact CD2-CB 4.09Å; L1345-Y1427 HydrophobicContact CD1-CD1 4.25Å; L1345-Y1427 HydrophobicContact CD1-CG 4.05Å
1346T80.8Confident75.5Confident60 Ų6034.4 Ų34.437%0.36818%0.177SC..Hα-helixtrans-67.8-40.8174-58.40000110.9E1342 W1343 F1344 I1350E1342-T1346 WeakPolarHBondContact O-CB 3.48Å; E1342-T1346 PolarHBondContact O-N 3.47Å; E1342-T1346 VanDerWaalsContact O-N 3.11Å; E1342-T1346 PolarHBondContact O-OG1 3.38Å; W1343-T1346 CarbonylContact O-C 3.46Å; W1343-T1346 WeakPolarHBondContact O-CA 3.42Å; W1343-T1346 WeakPolarHBondContact O-CB 3.31Å; W1343-T1346 PolarHBondContact O-N 3.29Å; F1344-T1346 VanDerWaalsContact C-N 3.27Å; F1344-T1346 PolarHBondContact O-N 2.93Å; T1346-I1350 HydrophobicContact CG2-CD1 4.07Å; T1346-I1350 WeakPolarHBondContact O-CB 3.11Å; T1346-I1350 WeakPolarHBondContact O-CG1 3.4Å; T1346-I1350 PolarHBondContact O-N 2.83Å; T1346-I1350 VanDerWaalsContact O-N 3.15Å
1347N77.3Confident73.7Confident40 Ų4037.2 Ų37.221%0.21419%0.193CC..Hα-helixtrans-66.7-48178.6-163.379.6000112.1W1343 F1344 S1349 I1350 D1351W1343-N1347 HydrophobicContact CH2-CB 4.5Å; W1343-N1347 PolarHBondContact O-N 3.05Å; F1344-N1347 PolarHBondContact O-N 3.49Å; F1344-N1347 VanDerWaalsContact O-N 3.15Å; N1347-S1349 PolarHBondContact O-N 2.87Å; N1347-I1350 CarbonylContact O-C 3.48Å; N1347-I1350 WeakPolarHBondContact O-CA 3.28Å; N1347-I1350 VanDerWaalsContact O-CB 3.32Å; N1347-I1350 WeakPolarHBondContact O-CB 3.41Å; N1347-I1350 PolarHBondContact O-N 2.85Å; N1347-D1351 PolarHBondContact ND2-OD2 3.11Å; N1347-D1351 PolarHBondContact O-N 3.31Å
1348I78.1Confident72Confident22 Ų2243.3 Ų43.311%0.11322%0.224CC..Hα-helixtrans-62.3-41.6176.9-68.7-173.8000111.6F1344 I1350 D1351 Y1352 K1377 Y1427F1344-I1348 HydrophobicContact CD1-CD1 3.98Å; F1344-I1348 HydrophobicContact CE1-CD1 3.29Å; F1344-I1348 HydrophobicContact CE1-CG1 4.27Å; F1344-I1348 HydrophobicContact CE2-CD1 4.27Å; F1344-I1348 HydrophobicContact CZ-CD1 3.5Å; F1344-I1348 HydrophobicContact CZ-CG1 4.43Å; F1344-I1348 PolarHBondContact O-N 2.98Å; I1348-I1350 PolarHBondContact O-N 2.87Å; I1348-D1351 PolarHBondContact O-N 3.16Å; I1348-Y1352 VanDerWaalsContact O-CB 3.26Å; I1348-Y1352 WeakPolarHBondContact O-CB 3.47Å; I1348-Y1352 PolarHBondContact O-N 3.17Å; I1348-K1377 HydrophobicContact CD1-CB 3.87Å; I1348-Y1427 HydrophobicContact CG2-CE1 4.41Å; I1348-Y1427 HydrophobicContact CG2-CE2 3.93Å; I1348-Y1427 WeakPolarHBondContact CG2-OH 3.47Å
1349S76.2Confident69.7Low37 Ų3749.1 Ų49.126%0.25925%0.253SS..Hα-helixtrans-63.6-20175.6-171.10000113.3L1345 N1347L1345-S1349 WeakPolarHBondContact O-CB 3.4Å; L1345-S1349 PolarHBondContact O-N 3.47Å; L1345-S1349 VanDerWaalsContact O-N 3.11Å; N1347-S1349 PolarHBondContact O-N 2.87Å
1350I67.7Low67.7Low26 Ų2650.3 Ų50.313%0.13326%0.262CS..Hα-helixtrans-86.5-49.6173.8-83.1170.8000111.3K263 S264 T1346 N1347 I1348 Y1352 A1353 G1354K263-I1350 HydrophobicContact CB-CD1 4.06Å; K263-I1350 HydrophobicContact CG-CD1 4.35Å; S264-I1350 WeakPolarHBondContact OG-CG2 3.32Å; T1346-I1350 HydrophobicContact CG2-CD1 4.07Å; T1346-I1350 WeakPolarHBondContact O-CB 3.11Å; T1346-I1350 WeakPolarHBondContact O-CG1 3.4Å; T1346-I1350 PolarHBondContact O-N 2.83Å; T1346-I1350 VanDerWaalsContact O-N 3.15Å; N1347-I1350 CarbonylContact O-C 3.48Å; N1347-I1350 WeakPolarHBondContact O-CA 3.28Å; N1347-I1350 VanDerWaalsContact O-CB 3.32Å; N1347-I1350 WeakPolarHBondContact O-CB 3.41Å; N1347-I1350 PolarHBondContact O-N 2.85Å; I1348-I1350 PolarHBondContact O-N 2.87Å; I1350-Y1352 VanDerWaalsContact C-N 3.27Å; I1350-Y1352 PolarHBondContact O-N 3.21Å; I1350-A1353 WeakPolarHBondContact O-CB 3.31Å; I1350-A1353 PolarHBondContact O-N 3.07Å; I1350-G1354 PolarHBondContact O-N 3.37Å; I1350-G1354 VanDerWaalsContact O-N 3.07Å
1351D65.9Low65.5Low68 Ų6856.8 Ų56.836%0.36430%0.297SS..Hα-helixtrans-60-39178.4-69.1-15.2000111.4N1347 I1348 A1353 G1354 R1355N1347-D1351 PolarHBondContact ND2-OD2 3.11Å; N1347-D1351 PolarHBondContact O-N 3.31Å; I1348-D1351 PolarHBondContact O-N 3.16Å; D1351-A1353 VanDerWaalsContact C-N 3.34Å; D1351-A1353 PolarHBondContact O-N 3.42Å; D1351-G1354 PolarHBondContact O-N 2.71Å; D1351-R1355 PolarHBondContact O-N 2.81Å
1352Y64.1Low63Low33 Ų3359.9 Ų59.913%0.12933%0.331CS..Hα-helixtrans-64.1-35.7173.6177.7-96.6000112.7I1348 I1350 L1356 I1431 L1434 Y1436I1348-Y1352 VanDerWaalsContact O-CB 3.26Å; I1348-Y1352 WeakPolarHBondContact O-CB 3.47Å; I1348-Y1352 PolarHBondContact O-N 3.17Å; I1350-Y1352 VanDerWaalsContact C-N 3.27Å; I1350-Y1352 PolarHBondContact O-N 3.21Å; Y1352-L1356 HydrophobicContact CD1-CD1 4.43Å; Y1352-L1356 HydrophobicContact CE1-CD1 3.86Å; Y1352-L1356 HydrophobicContact CE2-CD1 4.25Å; Y1352-I1431 HydrophobicContact CE1-CG1 4.28Å; Y1352-I1431 HydrophobicContact CE2-CG1 4.03Å; Y1352-L1434 HydrophobicContact CE1-CD1 4.28Å; Y1352-Y1436 WeakPolarHBondContact OH-CD2 3.42Å
1353A58.1Low60.6Low23 Ų2367.3 Ų67.319%0.1936%0.363CS..Hα-helixtrans-68.3-46.8176.800000111.2I1350 D1351 R1355 L1356I1350-A1353 WeakPolarHBondContact O-CB 3.31Å; I1350-A1353 PolarHBondContact O-N 3.07Å; D1351-A1353 VanDerWaalsContact C-N 3.34Å; D1351-A1353 PolarHBondContact O-N 3.42Å; A1353-R1355 PolarHBondContact O-N 3.36Å; A1353-L1356 WeakPolarHBondContact O-CB 3.46Å; A1353-L1356 PolarHBondContact O-N 3.05Å
1354G53.4Low58.1Low24 Ų2469.3 Ų69.325%0.24739%0.393CS..Hα-helixtrans-64.6-21.6178.600000114.6I1350 D1351I1350-G1354 PolarHBondContact O-N 3.37Å; I1350-G1354 VanDerWaalsContact O-N 3.07Å; D1351-G1354 PolarHBondContact O-N 2.71Å
1355R53.1Low55.7Low123 Ų12372.6 Ų72.646%0.46442%0.416SS..Hα-helixtrans-75.5-29.8172.1-77.5178.7169.8-178.2-5.1113.4D1351 A1353 D1357 I1358 M1359D1351-R1355 PolarHBondContact O-N 2.81Å; A1353-R1355 PolarHBondContact O-N 3.36Å; R1355-D1357 VanDerWaalsContact C-N 3.34Å; R1355-D1357 PolarHBondContact O-N 3.01Å; R1355-I1358 PolarHBondContact O-N 3.24Å; R1355-M1359 PolarHBondContact O-N 3.01Å
1356L49.2Very low53.5Low30 Ų3080.5 Ų80.516%0.15745%0.45CS..Hα-helixtrans-64.2-39.1179.6-112.276.9000112.1Y1352 A1353 I1358 M1359 L1434 Y1436Y1352-L1356 HydrophobicContact CD1-CD1 4.43Å; Y1352-L1356 HydrophobicContact CE1-CD1 3.86Å; Y1352-L1356 HydrophobicContact CE2-CD1 4.25Å; A1353-L1356 WeakPolarHBondContact O-CB 3.46Å; A1353-L1356 PolarHBondContact O-N 3.05Å; L1356-I1358 PolarHBondContact O-N 3.31Å; L1356-M1359 PolarHBondContact O-N 2.86Å; L1356-L1434 HydrophobicContact CD2-CD1 4.05Å; L1356-Y1436 HydrophobicContact CD1-CD2 3.94Å; L1356-Y1436 HydrophobicContact CD1-CE2 3.79Å; L1356-Y1436 HydrophobicContact CD1-CG 4.49Å; L1356-Y1436 HydrophobicContact CD2-CE2 3.9Å; L1356-Y1436 HydrophobicContact CG-CD2 4.48Å; L1356-Y1436 HydrophobicContact CG-CE2 3.83Å
1357D48.4Very low51.4Low88 Ų8884.1 Ų84.147%0.47147%0.467SS..THydrogen-bonded Turntrans-71.4-19.8-177-58.2-37.2000112.9L212 R1355L212-D1357 HydrophobicContact CD1-CB 4.36Å; R1355-D1357 VanDerWaalsContact C-N 3.34Å; R1355-D1357 PolarHBondContact O-N 3.01Å
1358I47.8Very low49.6Very low131 Ų13188 Ų8867%0.67249%0.488SS*.THydrogen-bonded Turntrans-89.6-34.1178.7-58.4172.4000111.3R1355 L1356 N1360R1355-I1358 PolarHBondContact O-N 3.24Å; L1356-I1358 PolarHBondContact O-N 3.31Å; I1358-N1360 VanDerWaalsContact C-N 3.32Å; I1358-N1360 PolarHBondContact O-N 3.09Å
1359M40Very low47.7Very low126 Ų12694.3 Ų94.362%0.62152%0.517SS*.THydrogen-bonded Turntrans-80.8-1.9-173.3-75.9-178.5154.600115.3R1355 L1356 D1361R1355-M1359 PolarHBondContact O-N 3.01Å; L1356-M1359 PolarHBondContact O-N 2.86Å; M1359-D1361 VanDerWaalsContact C-N 3.33Å
1360N43.9Very low45.9Very low123 Ų12399.8 Ų99.866%0.65854%0.543SS*.THydrogen-bonded Turntrans-79.8-9.8176.1-79.8-26000114I1358 G1362I1358-N1360 VanDerWaalsContact C-N 3.32Å; I1358-N1360 PolarHBondContact O-N 3.09Å; N1360-G1362 PolarHBondContact O-N 3.22Å
1361D40.2Very low44.4Very low140 Ų140107.4 Ų107.475%0.74958%0.575SS**SBendtrans-83.3100175.7-144-24000109.9M1359 K1363M1359-D1361 VanDerWaalsContact C-N 3.33Å; D1361-K1363 VanDerWaalsContact C-N 3.29Å; D1361-K1363 PolarHBondContact O-N 2.93Å
1362G35.7Very low43.7Very low71 Ų71108.3 Ų108.373%0.73258%0.58SS**SBendtrans-7548.8-153.900000118.2N1360N1360-G1362 PolarHBondContact O-N 3.22Å
1363K36.9Very low42.9Very low206 Ų206112 Ų11290%0.89660%0.601SS**  trans-140.247.9176.2-68-173.4178.9173.80114.2D1361D1361-K1363 VanDerWaalsContact C-N 3.29Å; D1361-K1363 PolarHBondContact O-N 2.93Å
1364G32.3Very low42.9Very low73 Ų73112 Ų11275%0.75360%0.603SS**  trans-86.9154.5165.500000112.7
1365S34.5Very low43.5Very low70 Ų70114.7 Ų114.749%0.4961%0.612SS.*  trans-71.5152174.6-164.40000111.6D1367S1365-D1367 PolarHBondContact O-N 3.33Å; S1365-D1367 PolarHBondContact OG-OD2 3.32Å
1366K39.6Very low44.5Very low177 Ų177116 Ų11677%0.7762%0.624SS**G310 helixtrans-71.3-13.9173.6-71.8-173.4173.1-175.90113.6
1367D37.4Very low45.8Very low135 Ų135117.5 Ų117.572%0.72263%0.629SS**G310 helixtrans-81.3-17.2-171.1-49.9-55.2000113.7S1365S1365-D1367 PolarHBondContact O-N 3.33Å; S1365-D1367 PolarHBondContact OG-OD2 3.32Å
1368D40.3Very low47.4Very low122 Ų122114 Ų11465%0.65261%0.609SS**G310 helixtrans-81.8-11-178.5-75.4-46.8000114.1N1370 K1371D1368-N1370 PolarHBondContact O-N 2.79Å; D1368-K1371 PolarHBondContact O-N 2.9Å
1369E38Very low49.2Very low155 Ų155111.2 Ų111.272%0.72459%0.594SS**G310 helixtrans-59.6-17.8-175.3-66.7-166145.800114.1
1370N38Very low51.1Low151 Ų151106.6 Ų106.681%0.80757%0.574SS**G310 helixtrans-102.95.4-175.7-70.5-62.2000115.3D1368D1368-N1370 PolarHBondContact O-N 2.79Å
1371K36.9Very low53.2Low186 Ų186101 Ų10181%0.80954%0.544SS*.  trans-129.263.5178.8-75.9-170.7176.4178.90114D1368 D1373D1368-K1371 PolarHBondContact O-N 2.9Å; K1371-D1373 PolarHBondContact O-N 2.78Å
1372L49.3Very low55.5Low88 Ų8894.3 Ų94.346%0.46151%0.508SS..  trans-84.7101171.3-75.3166.9000111.9G1374 N1375L1372-G1374 PolarHBondContact O-N 3.39Å; L1372-N1375 PolarHBondContact O-N 3.03Å
1373D48.5Very low57.9Low110 Ų11095.1 Ų95.159%0.58850%0.495SS*.THydrogen-bonded Turntrans-43.7-9.6166.1-99.118.7000116.2K1371K1371-D1373 PolarHBondContact O-N 2.78Å
1374G56.9Low60.2Low22 Ų2288.1 Ų88.123%0.22746%0.463CS..THydrogen-bonded Turntrans-74.8-34.8178.400000113.6L1372 E1376 K1377 E1378L1372-G1374 PolarHBondContact O-N 3.39Å; G1374-E1376 PolarHBondContact O-N 2.88Å; G1374-K1377 PolarHBondContact O-N 3.44Å; G1374-K1377 VanDerWaalsContact O-N 3.14Å; G1374-E1378 PolarHBondContact O-N 3.36Å; G1374-E1378 VanDerWaalsContact O-N 3.09Å
1375N67.1Low62.9Low82 Ų8284.7 Ų84.744%0.43943%0.427SS..Hα-helixtrans-60.8-44.9-169.5-72.9-1.4000112.5L1372 K1377 E1378 E1379L1372-N1375 PolarHBondContact O-N 3.03Å; N1375-K1377 VanDerWaalsContact C-N 3.25Å; N1375-K1377 PolarHBondContact O-N 3.17Å; N1375-E1378 PolarHBondContact O-N 2.56Å; N1375-E1378 VanDerWaalsContact O-N 3.15Å; N1375-E1379 WeakPolarHBondContact O-CB 3.41Å; N1375-E1379 WeakPolarHBondContact O-CG 3.31Å; N1375-E1379 PolarHBondContact O-N 3.35Å
1376E73.2Confident65.5Low151 Ų15181.5 Ų81.571%0.70641%0.405SS*.Hα-helixtrans-61.2-34.3-179.8-60.7-174.9173.600112.5G1374 S1380G1374-E1376 PolarHBondContact O-N 2.88Å; E1376-S1380 WeakPolarHBondContact O-CB 3.35Å; E1376-S1380 PolarHBondContact O-N 3.08Å; E1376-S1380 PolarHBondContact O-OG 3.18Å
1377K77.5Confident67.7Low61 Ų6173.7 Ų73.727%0.26537%0.374SS..Hα-helixtrans-74.1-35.7177.6-53.8-165.8-173.5-156.80112.1L315 F1344 I1348 G1374 N1375 S1380 F1381L315-K1377 WeakPolarHBondContact O-CE 3.46Å; L315-K1377 PolarHBondContact O-NZ 3.12Å; F1344-K1377 HydrophobicContact CZ-CB 4.16Å; I1348-K1377 HydrophobicContact CD1-CB 3.87Å; G1374-K1377 PolarHBondContact O-N 3.44Å; G1374-K1377 VanDerWaalsContact O-N 3.14Å; N1375-K1377 VanDerWaalsContact C-N 3.25Å; N1375-K1377 PolarHBondContact O-N 3.17Å; K1377-S1380 PolarHBondContact O-OG 3.44Å; K1377-F1381 VanDerWaalsContact O-CB 3.23Å; K1377-F1381 WeakPolarHBondContact O-CB 3.42Å; K1377-F1381 PolarHBondContact O-N 3.21Å
1378E82.1Confident70.2Confident13 Ų1367.3 Ų67.36%0.06134%0.341CS..Hα-helixtrans-75-36.5176.2-68-178.317600112G1374 N1375 C1382 Y1427 Y1428 P1440G1374-E1378 PolarHBondContact O-N 3.36Å; G1374-E1378 VanDerWaalsContact O-N 3.09Å; N1375-E1378 PolarHBondContact O-N 2.56Å; N1375-E1378 VanDerWaalsContact O-N 3.15Å; E1378-C1382 WeakPolarHBondContact O-CB 3.13Å; E1378-C1382 PolarHBondContact O-N 3.29Å; E1378-C1382 PolarHBondContact O-SG 2.99Å; E1378-Y1427 WeakPolarHBondContact OE1-CE1 3.24Å; E1378-Y1427 VanDerWaalsContact OE1-CZ 3.28Å; E1378-Y1427 PolarHBondContact OE1-OH 3.44Å; E1378-Y1428 WeakPolarHBondContact OE2-CE1 3.46Å; E1378-P1440 HydrophobicContact CB-CG 3.69Å
1379E84.2Confident72.5Confident73 Ų7361.5 Ų61.534%0.34131%0.309SS..Hα-helixtrans-68.2-51176.5-78.3-167167.400112.6N1375 F1381 C1382 L1383 P1440 I1442N1375-E1379 WeakPolarHBondContact O-CB 3.41Å; N1375-E1379 WeakPolarHBondContact O-CG 3.31Å; N1375-E1379 PolarHBondContact O-N 3.35Å; E1379-F1381 PolarHBondContact O-N 2.98Å; E1379-C1382 PolarHBondContact O-N 3.49Å; E1379-C1382 VanDerWaalsContact O-N 3.1Å; E1379-L1383 WeakPolarHBondContact O-CG 3.33Å; E1379-L1383 PolarHBondContact O-N 3.29Å; E1379-P1440 HydrophobicContact CG-CB 3.47Å; E1379-P1440 VanDerWaalsContact CG-CB 3.47Å; E1379-P1440 HydrophobicContact CG-CG 3.94Å; E1379-I1442 HydrophobicContact CB-CD1 3.78Å; E1379-I1442 HydrophobicContact CG-CD1 3.78Å; E1379-I1442 HydrophobicContact CG-CG1 4.18Å
1380S81.7Confident75Confident30 Ų3056.9 Ų56.921%0.2129%0.288CS..Hα-helixtrans-58.7-36174.8530000112.4L315 E1376 K1377 L1383 R1384L315-S1380 VanDerWaalsContact CD1-OG 3.25Å; L315-S1380 WeakPolarHBondContact CD1-OG 3.3Å; L315-S1380 WeakPolarHBondContact CD2-OG 3.35Å; E1376-S1380 WeakPolarHBondContact O-CB 3.35Å; E1376-S1380 PolarHBondContact O-N 3.08Å; E1376-S1380 PolarHBondContact O-OG 3.18Å; K1377-S1380 PolarHBondContact O-OG 3.44Å; S1380-L1383 PolarHBondContact O-N 2.92Å; S1380-R1384 WeakPolarHBondContact O-CG 3.4Å; S1380-R1384 PolarHBondContact O-N 3.41Å; S1380-R1384 VanDerWaalsContact O-N 3.11Å
1381F87.6Confident77.4Confident4 Ų449.7 Ų49.72%0.01825%0.249CC..Hα-helixtrans-67.5-42.6173-173.7-129.4000113.1F311 Y1341 F1344 L1345 K1377 E1379 L1383 R1384 L1385 L1420 L1424F311-F1381 HydrophobicContact CZ-CD2 4.02Å; Y1341-F1381 HydrophobicContact CD1-CD2 4.39Å; Y1341-F1381 AromaticContact CD1-CE2 3.92Å; Y1341-F1381 HydrophobicContact CD1-CE2 3.92Å; Y1341-F1381 AromaticContact CG-CE2 3.85Å; Y1341-F1381 HydrophobicContact CG-CE2 3.85Å; F1344-F1381 HydrophobicContact CD1-CB 4.26Å; F1344-F1381 HydrophobicContact CD1-CD1 4.34Å; F1344-F1381 AromaticContact CD1-CD2 3.64Å; F1344-F1381 HydrophobicContact CD1-CD2 3.64Å; F1344-F1381 AromaticContact CD1-CE2 3.96Å; F1344-F1381 HydrophobicContact CD1-CE2 3.96Å; F1344-F1381 AromaticContact CD1-CG 3.85Å; F1344-F1381 HydrophobicContact CD1-CG 3.85Å; F1344-F1381 HydrophobicContact CD1-CZ 4.44Å; F1344-F1381 HydrophobicContact CE1-CB 3.66Å; F1344-F1381 HydrophobicContact CE1-CD1 4.36Å; F1344-F1381 AromaticContact CE1-CD2 3.92Å; F1344-F1381 HydrophobicContact CE1-CD2 3.92Å; F1344-F1381 AromaticContact CE1-CG 3.75Å; F1344-F1381 HydrophobicContact CE1-CG 3.75Å; F1344-F1381 HydrophobicContact CZ-CB 4.5Å; L1345-F1381 HydrophobicContact CB-CE1 4.19Å; L1345-F1381 HydrophobicContact CB-CZ 4.07Å; L1345-F1381 HydrophobicContact CD1-CE1 4.34Å; K1377-F1381 VanDerWaalsContact O-CB 3.23Å; K1377-F1381 WeakPolarHBondContact O-CB 3.42Å; K1377-F1381 PolarHBondContact O-N 3.21Å; E1379-F1381 PolarHBondContact O-N 2.98Å; F1381-L1383 VanDerWaalsContact C-N 3.31Å; F1381-L1383 PolarHBondContact O-N 3.31Å; F1381-R1384 PolarHBondContact O-N 3.49Å; F1381-L1385 HydrophobicContact CD1-CD1 4.06Å; F1381-L1385 HydrophobicContact CD2-CD1 4.49Å; F1381-L1385 HydrophobicContact CD2-CG 4.44Å; F1381-L1385 HydrophobicContact CE1-CD1 3.71Å; F1381-L1385 HydrophobicContact CE2-CD1 4.17Å; F1381-L1385 HydrophobicContact CE2-CD2 4.43Å; F1381-L1385 HydrophobicContact CE2-CG 4.21Å; F1381-L1385 HydrophobicContact CG-CD1 4.44Å; F1381-L1385 HydrophobicContact CZ-CD1 3.78Å; F1381-L1385 HydrophobicContact CZ-CD2 4.49Å; F1381-L1385 HydrophobicContact CZ-CG 4.29Å; F1381-L1385 WeakPolarHBondContact O-CG 3.27Å; F1381-L1385 PolarHBondContact O-N 3.03Å; F1381-L1420 HydrophobicContact CZ-CD1 4.48Å; F1381-L1424 HydrophobicContact CD1-CD1 4.3Å; F1381-L1424 HydrophobicContact CD1-CD2 4.4Å; F1381-L1424 HydrophobicContact CE1-CD1 4.05Å; F1381-L1424 HydrophobicContact CE1-CD2 4.11Å
1382C87.8Confident79.9Confident0 Ų041 Ų410%021%0.212CC..Hα-helixtrans-63.6-36.7175.1-69.40000112E1378 E1379 L1385 I1386 Y1428 I1442E1378-C1382 WeakPolarHBondContact O-CB 3.13Å; E1378-C1382 PolarHBondContact O-N 3.29Å; E1378-C1382 PolarHBondContact O-SG 2.99Å; E1379-C1382 PolarHBondContact O-N 3.49Å; E1379-C1382 VanDerWaalsContact O-N 3.1Å; C1382-L1385 PolarHBondContact O-N 3.46Å; C1382-I1386 WeakPolarHBondContact O-CD1 3.45Å; C1382-I1386 VanDerWaalsContact O-CG1 3.29Å; C1382-I1386 WeakPolarHBondContact O-CG1 3.41Å; C1382-I1386 PolarHBondContact O-N 2.9Å; C1382-Y1428 PolarHBondContact SG-OH 3.25Å; C1382-I1442 HydrophobicContact CB-CB 4.2Å; C1382-I1442 HydrophobicContact CB-CG2 3.78Å
1383L86.9Confident81.8Confident89 Ų8936.9 Ų36.947%0.46619%0.19SC..Hα-helixtrans-63.1-45.2173.9-69.7171.5000112.3E1379 S1380 F1381 L1385 I1386 G1387 I1442E1379-L1383 WeakPolarHBondContact O-CG 3.33Å; E1379-L1383 PolarHBondContact O-N 3.29Å; S1380-L1383 PolarHBondContact O-N 2.92Å; F1381-L1383 VanDerWaalsContact C-N 3.31Å; F1381-L1383 PolarHBondContact O-N 3.31Å; L1383-L1385 PolarHBondContact O-N 3.04Å; L1383-I1386 WeakPolarHBondContact O-CB 3.46Å; L1383-I1386 PolarHBondContact O-N 3.24Å; L1383-G1387 PolarHBondContact O-N 3.1Å; L1383-I1442 HydrophobicContact CD1-CD1 4.34Å; L1383-I1442 HydrophobicContact CD2-CD1 4.25Å; L1383-I1442 HydrophobicContact CD2-CG2 3.96Å; L1383-I1442 HydrophobicContact CG-CD1 4.14Å; L1383-I1442 HydrophobicContact CG-CG2 4.2Å
1384R84Confident83.7Confident59 Ų5933.1 Ų33.122%0.22317%0.169CC..Hα-helixtrans-62.6-39.9174.5-70.7-62.5178.5-149.8-9.1112.8F311 D1279 Y1341 S1380 F1381 I1386 G1387 L1388F311-R1384 HydrophobicContact CD2-CG 3.72Å; F311-R1384 HydrophobicContact CE2-CG 3.65Å; F311-R1384 HydrophobicContact CG-CG 4.41Å; F311-R1384 HydrophobicContact CZ-CG 4.33Å; D1279-R1384 WeakPolarHBondContact OD2-CD 3.38Å; D1279-R1384 IonicContact OD2-CZ 2.65Å; D1279-R1384 IonicContact OD2-NE 3.31Å; D1279-R1384 IonicContact OD2-NH1 3.5Å; D1279-R1384 PolarHBondContact OD2-NH1 2.7Å; Y1341-R1384 HydrophobicContact CE1-CB 4.04Å; Y1341-R1384 HydrophobicContact CE1-CG 4.48Å; S1380-R1384 WeakPolarHBondContact O-CG 3.4Å; S1380-R1384 PolarHBondContact O-N 3.41Å; S1380-R1384 VanDerWaalsContact O-N 3.11Å; F1381-R1384 PolarHBondContact O-N 3.49Å; R1384-I1386 VanDerWaalsContact C-N 3.32Å; R1384-I1386 PolarHBondContact O-N 3.21Å; R1384-G1387 PolarHBondContact O-N 3.16Å; R1384-L1388 WeakPolarHBondContact O-CB 3.46Å; R1384-L1388 PolarHBondContact O-N 3.03Å
1385L88.9Confident85.2Confident0 Ų032 Ų320%016%0.158CC..Hα-helixtrans-69.7-27.5176.7-69.1176.7000113.3Y1341 F1381 C1382 L1383 L1388 G1389 L1420 L1421 L1424 L1446 Y1450Y1341-L1385 HydrophobicContact CD2-CD2 3.67Å; Y1341-L1385 HydrophobicContact CE2-CD2 4.25Å; Y1341-L1385 HydrophobicContact CG-CD2 4.23Å; F1381-L1385 HydrophobicContact CD1-CD1 4.06Å; F1381-L1385 HydrophobicContact CD2-CD1 4.49Å; F1381-L1385 HydrophobicContact CD2-CG 4.44Å; F1381-L1385 HydrophobicContact CE1-CD1 3.71Å; F1381-L1385 HydrophobicContact CE2-CD1 4.17Å; F1381-L1385 HydrophobicContact CE2-CD2 4.43Å; F1381-L1385 HydrophobicContact CE2-CG 4.21Å; F1381-L1385 HydrophobicContact CG-CD1 4.44Å; F1381-L1385 HydrophobicContact CZ-CD1 3.78Å; F1381-L1385 HydrophobicContact CZ-CD2 4.49Å; F1381-L1385 HydrophobicContact CZ-CG 4.29Å; F1381-L1385 WeakPolarHBondContact O-CG 3.27Å; F1381-L1385 PolarHBondContact O-N 3.03Å; C1382-L1385 PolarHBondContact O-N 3.46Å; L1383-L1385 PolarHBondContact O-N 3.04Å; L1385-L1388 HydrophobicContact CD2-CD2 4.04Å; L1385-G1389 PolarHBondContact O-N 3.42Å; L1385-L1420 HydrophobicContact CD2-CD2 3.87Å; L1385-L1421 HydrophobicContact CD1-CD2 4.43Å; L1385-L1424 HydrophobicContact CD1-CD2 3.54Å; L1385-L1446 HydrophobicContact CB-CD1 3.5Å; L1385-L1446 HydrophobicContact CB-CD2 4.13Å; L1385-L1446 HydrophobicContact CB-CG 4.5Å; L1385-L1446 HydrophobicContact CD1-CD2 4.08Å; L1385-Y1450 VanDerWaalsContact O-CE2 3.27Å; L1385-Y1450 WeakPolarHBondContact O-CE2 3.44Å; L1385-Y1450 PolarHBondContact O-OH 3.35Å
1386I89.5Confident86.2Confident4 Ų428.3 Ų28.32%0.02114%0.138CC..Hα-helixtrans-64.3-52.3170.4-76.8159.6000110C1382 L1383 R1384 L1388 G1389 E1390 I1442 R1445 L1446 V1449C1382-I1386 WeakPolarHBondContact O-CD1 3.45Å; C1382-I1386 VanDerWaalsContact O-CG1 3.29Å; C1382-I1386 WeakPolarHBondContact O-CG1 3.41Å; C1382-I1386 PolarHBondContact O-N 2.9Å; L1383-I1386 WeakPolarHBondContact O-CB 3.46Å; L1383-I1386 PolarHBondContact O-N 3.24Å; R1384-I1386 VanDerWaalsContact C-N 3.32Å; R1384-I1386 PolarHBondContact O-N 3.21Å; I1386-L1388 VanDerWaalsContact C-N 3.33Å; I1386-L1388 PolarHBondContact O-N 2.78Å; I1386-G1389 WeakPolarHBondContact O-CA 3.29Å; I1386-G1389 PolarHBondContact O-N 3.02Å; I1386-E1390 VanDerWaalsContact CG2-OE1 3.22Å; I1386-E1390 WeakPolarHBondContact CG2-OE1 3.38Å; I1386-E1390 PolarHBondContact O-N 2.99Å; I1386-I1442 HydrophobicContact CD1-CG2 3.77Å; I1386-R1445 HydrophobicContact CD1-CB 4.04Å; I1386-R1445 HydrophobicContact CD1-CG 3.74Å; I1386-R1445 HydrophobicContact CG1-CG 4.42Å; I1386-L1446 HydrophobicContact CD1-CB 4.34Å; I1386-L1446 HydrophobicContact CG1-CB 4.02Å; I1386-L1446 HydrophobicContact CG1-CD1 3.91Å; I1386-V1449 HydrophobicContact CG2-CG2 4.39Å
1387G87Confident86.9Confident12 Ų1223.5 Ų23.512%0.12412%0.116CC..Hα-helixtrans-59-41.917700000112.8L1383 R1384 G1389 E1390 I1391L1383-G1387 PolarHBondContact O-N 3.1Å; R1384-G1387 PolarHBondContact O-N 3.16Å; G1387-G1389 PolarHBondContact O-N 3.46Å; G1387-E1390 PolarHBondContact O-N 3.33Å; G1387-I1391 WeakPolarHBondContact O-CD1 3.34Å; G1387-I1391 VanDerWaalsContact O-CG1 3.26Å; G1387-I1391 WeakPolarHBondContact O-CG1 3Å; G1387-I1391 PolarHBondContact O-N 2.99Å
1388L89.1Confident87.2Confident2 Ų220.6 Ų20.61%0.0110%0.103CC..Hα-helixtrans-57.6-36.1171.4-171.276.9000112.5L1334 I1338 Y1341 R1384 L1385 I1386 L1392 V1417L1334-L1388 HydrophobicContact CD2-CD1 3.5Å; I1338-L1388 HydrophobicContact CG1-CD1 4.43Å; I1338-L1388 HydrophobicContact CG1-CD2 4.12Å; Y1341-L1388 HydrophobicContact CD2-CD2 4.02Å; Y1341-L1388 HydrophobicContact CE2-CB 4.39Å; Y1341-L1388 HydrophobicContact CE2-CD1 4.28Å; Y1341-L1388 HydrophobicContact CE2-CD2 4Å; Y1341-L1388 HydrophobicContact CE2-CG 4.46Å; R1384-L1388 WeakPolarHBondContact O-CB 3.46Å; R1384-L1388 PolarHBondContact O-N 3.03Å; L1385-L1388 HydrophobicContact CD2-CD2 4.04Å; I1386-L1388 VanDerWaalsContact C-N 3.33Å; I1386-L1388 PolarHBondContact O-N 2.78Å; L1388-L1392 VanDerWaalsContact O-CB 3.25Å; L1388-L1392 WeakPolarHBondContact O-CB 3.38Å; L1388-L1392 PolarHBondContact O-N 2.55Å; L1388-V1417 HydrophobicContact CD2-CG1 4.05Å; L1388-V1417 HydrophobicContact CD2-CG2 3.89Å
1389G88.5Confident87.2Confident0 Ų020.8 Ų20.80%011%0.107CC..Hα-helixtrans-70.2-44.717800000112.2L1385 I1386 G1387 L1392 A1393 Y1450 V1454L1385-G1389 PolarHBondContact O-N 3.42Å; I1386-G1389 WeakPolarHBondContact O-CA 3.29Å; I1386-G1389 PolarHBondContact O-N 3.02Å; G1387-G1389 PolarHBondContact O-N 3.46Å; G1389-L1392 PolarHBondContact O-N 2.79Å; G1389-A1393 VanDerWaalsContact O-CB 3.26Å; G1389-A1393 WeakPolarHBondContact O-CB 2.91Å; G1389-A1393 PolarHBondContact O-N 2.94Å; G1389-Y1450 VanDerWaalsContact CA-OH 3.22Å; G1389-Y1450 WeakPolarHBondContact CA-OH 3Å; G1389-Y1450 PolarHBondContact N-OH 3.18Å; G1389-Y1450 VanDerWaalsContact N-OH 3.08Å; G1389-V1454 VanDerWaalsContact O-CG2 3.31Å; G1389-V1454 WeakPolarHBondContact O-CG2 3.4Å
1390E89.5Confident87Confident57 Ų5717.3 Ų17.327%0.2669%0.091SC..Hα-helixtrans-61.7-43.6175.7-66.5168.4-17100110.6L1283 I1386 G1387 Q1394 R1445 V1449L1283-E1390 HydrophobicContact CD1-CB 4.28Å; L1283-E1390 HydrophobicContact CD2-CB 4.45Å; I1386-E1390 VanDerWaalsContact CG2-OE1 3.22Å; I1386-E1390 WeakPolarHBondContact CG2-OE1 3.38Å; I1386-E1390 PolarHBondContact O-N 2.99Å; G1387-E1390 PolarHBondContact O-N 3.33Å; E1390-Q1394 PolarHBondContact O-N 3.49Å; E1390-Q1394 VanDerWaalsContact O-N 3.1Å; E1390-R1445 IonicContact OE1-NH2 3.62Å; E1390-R1445 PolarHBondContact OE1-NH2 2.92Å; E1390-V1449 HydrophobicContact CG-CG1 4.25Å
1391I89.1Confident86.4Confident1 Ų119.2 Ų19.21%0.00510%0.103CC..Hα-helixtrans-62.1-47.7173.5-66.2160000111.9D1279 I1282 L1283 L1334 G1387 Q1394 L1395D1279-I1391 HydrophobicContact CB-CD1 4.23Å; I1282-I1391 HydrophobicContact CB-CD1 3.97Å; I1282-I1391 HydrophobicContact CG2-CD1 3.86Å; I1282-I1391 HydrophobicContact CG2-CG1 4.2Å; I1282-I1391 HydrophobicContact CG2-CG2 3.77Å; L1283-I1391 HydrophobicContact CB-CG1 3.87Å; L1283-I1391 HydrophobicContact CD1-CG1 4.14Å; L1334-I1391 HydrophobicContact CD1-CG2 4.31Å; L1334-I1391 HydrophobicContact CD2-CG2 3.94Å; G1387-I1391 WeakPolarHBondContact O-CD1 3.34Å; G1387-I1391 VanDerWaalsContact O-CG1 3.26Å; G1387-I1391 WeakPolarHBondContact O-CG1 3Å; G1387-I1391 PolarHBondContact O-N 2.99Å; I1391-Q1394 PolarHBondContact O-N 3.17Å; I1391-L1395 HydrophobicContact CG2-CD1 4.1Å; I1391-L1395 PolarHBondContact O-N 3.07Å
1392L90.1Very high85.5Confident3 Ų319.2 Ų19.22%0.01610%0.103CC..Hα-helixtrans-66.4-40.3-178.9179.360.2000111.4L1388 G1389 Q1394 L1395 L1396 L1410 I1413 V1417 Y1450 V1454L1388-L1392 VanDerWaalsContact O-CB 3.25Å; L1388-L1392 WeakPolarHBondContact O-CB 3.38Å; L1388-L1392 PolarHBondContact O-N 2.55Å; G1389-L1392 PolarHBondContact O-N 2.79Å; L1392-Q1394 PolarHBondContact O-N 3.3Å; L1392-L1395 PolarHBondContact O-N 2.71Å; L1392-L1396 HydrophobicContact CD1-CD1 4.29Å; L1392-L1396 HydrophobicContact CD1-CG 4.19Å; L1392-L1396 HydrophobicContact CG-CD1 4.03Å; L1392-L1396 HydrophobicContact CG-CG 4.41Å; L1392-L1396 WeakPolarHBondContact O-CB 3.42Å; L1392-L1396 VanDerWaalsContact O-CG 3.23Å; L1392-L1396 WeakPolarHBondContact O-CG 3.48Å; L1392-L1396 PolarHBondContact O-N 3.25Å; L1392-L1410 HydrophobicContact CD1-CD1 3.98Å; L1392-I1413 HydrophobicContact CD1-CG2 4.24Å; L1392-V1417 HydrophobicContact CD2-CB 4.11Å; L1392-V1417 HydrophobicContact CD2-CG1 4.28Å; L1392-V1417 HydrophobicContact CD2-CG2 4.16Å; L1392-Y1450 HydrophobicContact CD2-CE1 4.48Å; L1392-V1454 HydrophobicContact CD2-CG1 3.76Å; L1392-V1454 HydrophobicContact CG-CG1 4Å
1393A89.2Confident84.4Confident1 Ų122.5 Ų22.51%0.00813%0.125CC..Hα-helixtrans-56.1-41.617200000110.8G1389 Q1397 E1453 V1454 R1457G1389-A1393 VanDerWaalsContact O-CB 3.26Å; G1389-A1393 WeakPolarHBondContact O-CB 2.91Å; G1389-A1393 PolarHBondContact O-N 2.94Å; A1393-Q1397 PolarHBondContact O-N 3.07Å; A1393-E1453 HydrophobicContact CB-CB 4.34Å; A1393-V1454 HydrophobicContact CB-CG2 4.07Å; A1393-R1457 WeakPolarHBondContact O-CD 3.49Å; A1393-R1457 PolarHBondContact O-NH1 3.5Å
1394Q88.5Confident83.7Confident31 Ų3119.6 Ų19.615%0.14511%0.112CC..Hα-helixtrans-69-44179.4-163.863.24.200113C1286 N1287 T1290 E1390 I1391 L1392 L1396 Q1397 T1398 R1457C1286-Q1394 HydrophobicContact CB-CB 4.21Å; C1286-Q1394 HydrophobicContact CB-CG 4.09Å; N1287-Q1394 VanDerWaalsContact OD1-CD 3.23Å; N1287-Q1394 VanDerWaalsContact OD1-CG 3.28Å; N1287-Q1394 WeakPolarHBondContact OD1-CG 3.34Å; N1287-Q1394 PolarHBondContact OD1-NE2 3.39Å; T1290-Q1394 PolarHBondContact OG1-NE2 3.04Å; E1390-Q1394 PolarHBondContact O-N 3.49Å; E1390-Q1394 VanDerWaalsContact O-N 3.1Å; I1391-Q1394 PolarHBondContact O-N 3.17Å; L1392-Q1394 PolarHBondContact O-N 3.3Å; Q1394-L1396 VanDerWaalsContact C-N 3.33Å; Q1394-L1396 PolarHBondContact O-N 3.06Å; Q1394-Q1397 PolarHBondContact O-N 2.98Å; Q1394-T1398 PolarHBondContact O-N 3.36Å; Q1394-T1398 PolarHBondContact O-OG1 3.04Å; Q1394-R1457 VanDerWaalsContact OE1-NH1 3.14Å
1395L88.2Confident83.3Confident0 Ų020 Ų200%013%0.127CC..Hα-helixtrans-65.6-32.7177.1-72.5169.7000113.4C1286 L1327 I1330 Y1331 L1334 I1391 L1392 Q1397 T1398 L1410C1286-L1395 HydrophobicContact CB-CD2 4.33Å; C1286-L1395 HydrophobicContact CB-CG 4.32Å; L1327-L1395 HydrophobicContact CD2-CD2 4.35Å; I1330-L1395 HydrophobicContact CG2-CD1 3.99Å; Y1331-L1395 HydrophobicContact CE1-CD1 4.45Å; L1334-L1395 HydrophobicContact CD1-CD1 3.43Å; L1334-L1395 VanDerWaalsContact CD1-CD1 3.43Å; I1391-L1395 HydrophobicContact CG2-CD1 4.1Å; I1391-L1395 PolarHBondContact O-N 3.07Å; L1392-L1395 PolarHBondContact O-N 2.71Å; L1395-Q1397 PolarHBondContact O-N 3.46Å; L1395-T1398 PolarHBondContact O-N 2.96Å; L1395-L1410 HydrophobicContact CB-CD1 3.87Å; L1395-L1410 WeakPolarHBondContact O-CD2 3.46Å
1396L87.7Confident82.9Confident4 Ų421.9 Ų21.92%0.02114%0.136CC..Hα-helixtrans-68.2-19.8172.9-71169.6000113L1392 Q1394 L1410 V1454 R1457 A1458 L1461L1392-L1396 HydrophobicContact CD1-CD1 4.29Å; L1392-L1396 HydrophobicContact CD1-CG 4.19Å; L1392-L1396 HydrophobicContact CG-CD1 4.03Å; L1392-L1396 HydrophobicContact CG-CG 4.41Å; L1392-L1396 WeakPolarHBondContact O-CB 3.42Å; L1392-L1396 VanDerWaalsContact O-CG 3.23Å; L1392-L1396 WeakPolarHBondContact O-CG 3.48Å; L1392-L1396 PolarHBondContact O-N 3.25Å; Q1394-L1396 VanDerWaalsContact C-N 3.33Å; Q1394-L1396 PolarHBondContact O-N 3.06Å; L1396-L1410 HydrophobicContact CD2-CD2 4.23Å; L1396-L1410 HydrophobicContact CD2-CG 4.21Å; L1396-V1454 HydrophobicContact CD1-CG1 3.83Å; L1396-R1457 HydrophobicContact CB-CB 4.01Å; L1396-A1458 HydrophobicContact CD1-CB 4.09Å; L1396-A1458 HydrophobicContact CD2-CB 4.41Å; L1396-L1461 HydrophobicContact CD2-CD2 3.6Å
1397Q87.4Confident82.6Confident49 Ų4922 Ų2223%0.22914%0.137CC..Hα-helixtrans-95-15.1177.2-170.9167.5-2.500113.3N1295 V1296 A1393 Q1394 L1395 A1399N1295-Q1397 WeakPolarHBondContact CA-O 3.37Å; N1295-Q1397 PolarHBondContact ND2-NE2 3.15Å; N1295-Q1397 WeakPolarHBondContact OD1-CG 3.3Å; N1295-Q1397 PolarHBondContact OD1-NE2 3.46Å; V1296-Q1397 WeakPolarHBondContact CG2-O 3.43Å; V1296-Q1397 PolarHBondContact N-O 3.47Å; A1393-Q1397 PolarHBondContact O-N 3.07Å; Q1394-Q1397 PolarHBondContact O-N 2.98Å; L1395-Q1397 PolarHBondContact O-N 3.46Å; Q1397-A1399 PolarHBondContact O-N 3.3Å
1398T85.3Confident82.4Confident0 Ų023.6 Ų23.60%014%0.142CC..BIsolated β-bridgetrans-65.3129.3176.2-49.70000111.5T1290 L1293 V1296 Q1394 L1395 L1400T1290-T1398 PolarHBondContact OG1-OG1 2.93Å; L1293-T1398 HydrophobicContact CB-CG2 3.92Å; L1293-T1398 HydrophobicContact CD1-CG2 3.66Å; L1293-T1398 HydrophobicContact CG-CG2 4.4Å; V1296-T1398 WeakPolarHBondContact CG2-O 3.3Å; Q1394-T1398 PolarHBondContact O-N 3.36Å; Q1394-T1398 PolarHBondContact O-OG1 3.04Å; L1395-T1398 PolarHBondContact O-N 2.96Å; T1398-L1400 VanDerWaalsContact C-N 3.25Å; T1398-L1400 HydrophobicContact CG2-CD2 3.93Å; T1398-L1400 HydrophobicContact CG2-CG 4.28Å; T1398-L1400 PolarHBondContact O-N 2.91Å
1399A81.3Confident82.2Confident17 Ų1725.2 Ų25.214%0.1415%0.152CC..  trans-72.973.2177.100000112.3G1294 V1296 Q1397G1294-A1399 WeakPolarHBondContact O-CB 3.49Å; G1294-A1399 PolarHBondContact O-N 3.45Å; V1296-A1399 HydrophobicContact CG2-CB 4.47Å; Q1397-A1399 PolarHBondContact O-N 3.3Å
1400L79.7Confident82.1Confident0 Ų025.2 Ų25.20%015%0.152CC..  trans-71.7137.6178.6-64.1177.8000111.4L1293 L1327 Y1331 T1398 A1402 I1407 L1410 Y1464L1293-L1400 HydrophobicContact CD1-CD2 4.26Å; L1327-L1400 HydrophobicContact CD1-CD2 3.46Å; L1327-L1400 VanDerWaalsContact CD1-CD2 3.46Å; L1327-L1400 HydrophobicContact CD2-CD2 4.07Å; L1327-L1400 HydrophobicContact CG-CD2 4.44Å; Y1331-L1400 VanDerWaalsContact OH-CD1 3.3Å; Y1331-L1400 WeakPolarHBondContact OH-CD1 3.32Å; T1398-L1400 VanDerWaalsContact C-N 3.25Å; T1398-L1400 HydrophobicContact CG2-CD2 3.93Å; T1398-L1400 HydrophobicContact CG2-CG 4.28Å; T1398-L1400 PolarHBondContact O-N 2.91Å; L1400-A1402 PolarHBondContact O-N 3.43Å; L1400-I1407 HydrophobicContact CB-CD1 4.26Å; L1400-I1407 HydrophobicContact CB-CG1 3.9Å; L1400-I1407 HydrophobicContact CD1-CG1 4.31Å; L1400-L1410 HydrophobicContact CD1-CD2 3.69Å; L1400-Y1464 WeakPolarHBondContact O-CE1 3.47Å; L1400-Y1464 PolarHBondContact O-OH 3.35Å
1401P70.2Confident82Confident71 Ų7122.9 Ų22.946%0.46114%0.142SC..  trans-57.9113179.3-2634.8000112.7P1403 S1404P1401-P1403 CarbonylContact O-C 3.56Å; P1401-S1404 WeakPolarHBondContact O-CB 3.21Å; P1401-S1404 PolarHBondContact O-N 3.07Å; P1401-S1404 PolarHBondContact O-OG 3.24Å
1402A68Low82Confident4 Ų426.7 Ų26.73%0.03316%0.16CC..SBendtrans-98.9138.2-178.900000112.8L1400 I1407 Y1464 K1472L1400-A1402 PolarHBondContact O-N 3.43Å; A1402-I1407 HydrophobicContact CB-CD1 3.54Å; A1402-Y1464 HydrophobicContact CB-CE1 3.89Å; A1402-K1472 PolarHBondContact O-NZ 2.82Å
1403P63.5Low81.9Confident69 Ų6926.6 Ų26.645%0.44816%0.159SC..SBendcis-76.9141.4-16.432.5-34000111.1P1401P1401-P1403 CarbonylContact O-C 3.56Å
1404S72.5Confident82Confident28 Ų2826.7 Ų26.720%0.19616%0.16CC..SBendtrans-153.315516969.70000111.1P1401 H1406 I1407P1401-S1404 WeakPolarHBondContact O-CB 3.21Å; P1401-S1404 PolarHBondContact O-N 3.07Å; P1401-S1404 PolarHBondContact O-OG 3.24Å; S1404-H1406 PolarHBondContact O-N 3.14Å; S1404-I1407 WeakPolarHBondContact O-CB 3.49Å; S1404-I1407 PolarHBondContact O-N 3.46Å
1405A76Confident82.1Confident66 Ų6625.3 Ų25.355%0.54515%0.154SC..Hα-helixtrans-57.8-15.4-17900000114.6T1409A1405-T1409 PolarHBondContact O-N 3.18Å; A1405-T1409 VanDerWaalsContact O-N 3.13Å; A1405-T1409 PolarHBondContact O-OG1 3.36Å; A1405-T1409 VanDerWaalsContact O-OG1 3.06Å
1406H81.6Confident82.2Confident41 Ų4126.9 Ų26.919%0.1917%0.165CC..Hα-helixtrans-68-37.2172.2-64-84.6000111.9V1324 L1327 Y1331 S1404 T1409 L1410V1324-H1406 PolarHBondContact O-CE1 3.45Å; L1327-H1406 HydrophobicContact CD1-CB 4.39Å; Y1331-H1406 HydrophobicContact CE2-CB 3.89Å; Y1331-H1406 AromaticContact CE2-ND1 3.78Å; Y1331-H1406 WeakPolarHBondContact CE2-O 3.24Å; Y1331-H1406 PolarHBondContact OH-O 3.46Å; S1404-H1406 PolarHBondContact O-N 3.14Å; H1406-T1409 WeakPolarHBondContact CA-OG1 3.41Å; H1406-T1409 PolarHBondContact O-OG1 3.39Å; H1406-L1410 WeakPolarHBondContact O-CB 3.25Å; H1406-L1410 PolarHBondContact O-N 3.25Å
1407I82.1Confident82.4Confident6 Ų626.7 Ų26.73%0.03116%0.164CC..Hα-helixtrans-69.4-45.7175.5-59.2-177.6000109.6L1400 A1402 S1404 T1409 L1410 L1411 I1465L1400-I1407 HydrophobicContact CB-CD1 4.26Å; L1400-I1407 HydrophobicContact CB-CG1 3.9Å; L1400-I1407 HydrophobicContact CD1-CG1 4.31Å; A1402-I1407 HydrophobicContact CB-CD1 3.54Å; S1404-I1407 WeakPolarHBondContact O-CB 3.49Å; S1404-I1407 PolarHBondContact O-N 3.46Å; I1407-T1409 VanDerWaalsContact C-N 3.28Å; I1407-T1409 PolarHBondContact O-N 2.84Å; I1407-L1410 PolarHBondContact O-N 2.88Å; I1407-L1411 HydrophobicContact CG2-CD1 4.13Å; I1407-L1411 HydrophobicContact CG2-CG 4.3Å; I1407-L1411 WeakPolarHBondContact O-CG 3.49Å; I1407-L1411 PolarHBondContact O-N 2.89Å; I1407-I1465 HydrophobicContact CD1-CG1 4.4Å; I1407-I1465 HydrophobicContact CG2-CD1 3.55Å; I1407-I1465 HydrophobicContact CG2-CG1 4.07Å
1408D82Confident82.7Confident45 Ų4524.5 Ų24.524%0.24115%0.153CC..Hα-helixtrans-50-50.6174.1-47.49.8000110.5L1410 L1411 E1412 L1517D1408-L1410 PolarHBondContact O-N 3.24Å; D1408-L1411 PolarHBondContact O-N 2.87Å; D1408-E1412 WeakPolarHBondContact O-CG 3.49Å; D1408-E1412 PolarHBondContact O-N 3.16Å; D1408-L1517 HydrophobicContact CB-CD1 3.83Å
1409T84.9Confident83Confident37 Ų3727.4 Ų27.423%0.22717%0.169CC..Hα-helixtrans-69.1-28.5179.249.60000114.2Y1331 A1405 H1406 I1407 I1413Y1331-T1409 WeakPolarHBondContact CD2-OG1 3.33Å; Y1331-T1409 WeakPolarHBondContact CE2-OG1 3.36Å; A1405-T1409 PolarHBondContact O-N 3.18Å; A1405-T1409 VanDerWaalsContact O-N 3.13Å; A1405-T1409 PolarHBondContact O-OG1 3.36Å; A1405-T1409 VanDerWaalsContact O-OG1 3.06Å; H1406-T1409 WeakPolarHBondContact CA-OG1 3.41Å; H1406-T1409 PolarHBondContact O-OG1 3.39Å; I1407-T1409 VanDerWaalsContact C-N 3.28Å; I1407-T1409 PolarHBondContact O-N 2.84Å; T1409-I1413 WeakPolarHBondContact O-CB 3.29Å; T1409-I1413 WeakPolarHBondContact O-CD1 3.41Å; T1409-I1413 WeakPolarHBondContact O-CG1 3.46Å; T1409-I1413 PolarHBondContact O-N 3.35Å
1410L88.1Confident83.5Confident0 Ų026.6 Ų26.60%016%0.163CC..Hα-helixtrans-73.6-38.9175.5-179.660.3000111.3Y1331 L1392 L1395 L1396 L1400 H1406 I1407 D1408 I1413 G1414 L1461Y1331-L1410 HydrophobicContact CE1-CD1 4.43Å; L1392-L1410 HydrophobicContact CD1-CD1 3.98Å; L1395-L1410 HydrophobicContact CB-CD1 3.87Å; L1395-L1410 WeakPolarHBondContact O-CD2 3.46Å; L1396-L1410 HydrophobicContact CD2-CD2 4.23Å; L1396-L1410 HydrophobicContact CD2-CG 4.21Å; L1400-L1410 HydrophobicContact CD1-CD2 3.69Å; H1406-L1410 WeakPolarHBondContact O-CB 3.25Å; H1406-L1410 PolarHBondContact O-N 3.25Å; I1407-L1410 PolarHBondContact O-N 2.88Å; D1408-L1410 PolarHBondContact O-N 3.24Å; L1410-I1413 PolarHBondContact O-N 3.1Å; L1410-G1414 PolarHBondContact O-N 3.1Å; L1410-L1461 HydrophobicContact CD2-CD2 4Å
1411L87.3Confident84.1Confident8 Ų826.6 Ų26.64%0.04216%0.163CC..Hα-helixtrans-63.9-42.9172.7-66.3173.9000111.3I1407 D1408 A1415 F1462 L1517 I1518 L1521I1407-L1411 HydrophobicContact CG2-CD1 4.13Å; I1407-L1411 HydrophobicContact CG2-CG 4.3Å; I1407-L1411 WeakPolarHBondContact O-CG 3.49Å; I1407-L1411 PolarHBondContact O-N 2.89Å; D1408-L1411 PolarHBondContact O-N 2.87Å; L1411-A1415 WeakPolarHBondContact O-CB 3.2Å; L1411-A1415 PolarHBondContact O-N 3.41Å; L1411-F1462 HydrophobicContact CD2-CD1 4.33Å; L1411-F1462 HydrophobicContact CD2-CE1 3.77Å; L1411-L1517 HydrophobicContact CB-CB 4.19Å; L1411-L1517 HydrophobicContact CD1-CB 3.94Å; L1411-I1518 HydrophobicContact CD1-CG1 3.87Å; L1411-I1518 HydrophobicContact CD2-CG1 4.47Å; L1411-L1521 HydrophobicContact CD2-CD2 3.84Å
1412E87.9Confident85.1Confident81 Ų8123.3 Ų23.338%0.37914%0.141SC..Hα-helixtrans-57.7-46.5171.2-74.8179169.100112.3K1335 D1408 A1415 S1416 L1517K1335-E1412 IonicContact NZ-OE2 3.89Å; K1335-E1412 PolarHBondContact NZ-OE2 3.24Å; D1408-E1412 WeakPolarHBondContact O-CG 3.49Å; D1408-E1412 PolarHBondContact O-N 3.16Å; E1412-A1415 PolarHBondContact O-N 2.86Å; E1412-S1416 PolarHBondContact O-N 2.88Å; E1412-S1416 PolarHBondContact O-OG 3.02Å; E1412-L1517 HydrophobicContact CG-CD2 4.21Å
1413I89.2Confident86.1Confident1 Ų128.3 Ų28.31%0.00516%0.159CC..Hα-helixtrans-62.6-51.2179.3-75.1165.8000110.2Y1331 L1334 K1335 I1338 L1392 T1409 L1410 A1415 S1416 V1417Y1331-I1413 HydrophobicContact CD1-CD1 3.75Å; Y1331-I1413 HydrophobicContact CG-CD1 3.95Å; L1334-I1413 HydrophobicContact CB-CD1 4.32Å; L1334-I1413 HydrophobicContact CB-CG2 4.38Å; L1334-I1413 HydrophobicContact CD1-CG2 4.44Å; K1335-I1413 HydrophobicContact CD-CG1 4.32Å; K1335-I1413 HydrophobicContact CG-CD1 4.14Å; K1335-I1413 HydrophobicContact CG-CG1 3.8Å; I1338-I1413 HydrophobicContact CD1-CG2 4.01Å; L1392-I1413 HydrophobicContact CD1-CG2 4.24Å; T1409-I1413 WeakPolarHBondContact O-CB 3.29Å; T1409-I1413 WeakPolarHBondContact O-CD1 3.41Å; T1409-I1413 WeakPolarHBondContact O-CG1 3.46Å; T1409-I1413 PolarHBondContact O-N 3.35Å; L1410-I1413 PolarHBondContact O-N 3.1Å; I1413-A1415 VanDerWaalsContact C-N 3.27Å; I1413-A1415 PolarHBondContact O-N 3.27Å; I1413-S1416 PolarHBondContact O-N 3.45Å; I1413-S1416 VanDerWaalsContact O-N 3.1Å; I1413-S1416 PolarHBondContact O-OG 3.04Å; I1413-V1417 WeakPolarHBondContact O-CG2 3.29Å; I1413-V1417 PolarHBondContact O-N 3.27Å
1414G90Very high87.4Confident2 Ų225 Ų252%0.02114%0.138CC..Hα-helixtrans-54.6-43.9175.800000112.1L1410 S1416 V1417 F1418L1410-G1414 PolarHBondContact O-N 3.1Å; G1414-S1416 VanDerWaalsContact C-N 3.34Å; G1414-S1416 PolarHBondContact O-N 3.32Å; G1414-V1417 PolarHBondContact O-N 2.97Å; G1414-F1418 WeakPolarHBondContact O-CD2 3.49Å; G1414-F1418 PolarHBondContact O-N 3.41Å
1415A91Very high88.2Confident3 Ų323.7 Ų23.73%0.02513%0.129CC..Hα-helixtrans-65.4-37.7179.900000111.8L1411 E1412 I1413 N1419 Q1520 L1521L1411-A1415 WeakPolarHBondContact O-CB 3.2Å; L1411-A1415 PolarHBondContact O-N 3.41Å; E1412-A1415 PolarHBondContact O-N 2.86Å; I1413-A1415 VanDerWaalsContact C-N 3.27Å; I1413-A1415 PolarHBondContact O-N 3.27Å; A1415-N1419 WeakPolarHBondContact O-CB 3.2Å; A1415-N1419 PolarHBondContact O-N 3.21Å; A1415-N1419 VanDerWaalsContact O-N 3.13Å; A1415-N1419 PolarHBondContact O-ND2 3.12Å; A1415-Q1520 HydrophobicContact CB-CG 4.36Å; A1415-L1521 HydrophobicContact CB-CB 4.34Å; A1415-L1521 HydrophobicContact CB-CD1 4.43Å
1416S90.9Very high88.8Confident33 Ų3325.2 Ų25.223%0.23112%0.123CC..Hα-helixtrans-67-39.1174.765.50000112.8E1412 I1413 G1414 N1419 L1420E1412-S1416 PolarHBondContact O-N 2.88Å; E1412-S1416 PolarHBondContact O-OG 3.02Å; I1413-S1416 PolarHBondContact O-N 3.45Å; I1413-S1416 VanDerWaalsContact O-N 3.1Å; I1413-S1416 PolarHBondContact O-OG 3.04Å; G1414-S1416 VanDerWaalsContact C-N 3.34Å; G1414-S1416 PolarHBondContact O-N 3.32Å; S1416-N1419 PolarHBondContact O-N 3Å; S1416-L1420 WeakPolarHBondContact O-CB 3.32Å; S1416-L1420 PolarHBondContact O-N 2.88Å
1417V92.2Very high89.1Confident0 Ų023.9 Ų23.90%012%0.116CC..Hα-helixtrans-66.4-45.1177.7-179.50000112I1338 L1388 L1392 I1413 G1414 N1419 L1420 L1421 Y1450I1338-V1417 HydrophobicContact CD1-CG2 3.43Å; I1338-V1417 VanDerWaalsContact CD1-CG2 3.43Å; I1338-V1417 HydrophobicContact CG1-CG2 3.94Å; L1388-V1417 HydrophobicContact CD2-CG1 4.05Å; L1388-V1417 HydrophobicContact CD2-CG2 3.89Å; L1392-V1417 HydrophobicContact CD2-CB 4.11Å; L1392-V1417 HydrophobicContact CD2-CG1 4.28Å; L1392-V1417 HydrophobicContact CD2-CG2 4.16Å; I1413-V1417 WeakPolarHBondContact O-CG2 3.29Å; I1413-V1417 PolarHBondContact O-N 3.27Å; G1414-V1417 PolarHBondContact O-N 2.97Å; V1417-N1419 VanDerWaalsContact C-N 3.27Å; V1417-N1419 PolarHBondContact O-N 3.35Å; V1417-L1420 WeakPolarHBondContact O-CB 3.49Å; V1417-L1420 PolarHBondContact O-N 3.06Å; V1417-L1420 VanDerWaalsContact O-N 3.15Å; V1417-L1421 HydrophobicContact CG1-CD1 4.31Å; V1417-L1421 WeakPolarHBondContact O-CG 3.36Å; V1417-L1421 PolarHBondContact O-N 3.45Å; V1417-Y1450 HydrophobicContact CG1-CE1 3.48Å; V1417-Y1450 VanDerWaalsContact CG1-CE1 3.48Å; V1417-Y1450 WeakPolarHBondContact CG1-OH 3.3Å
1418F92.5Very high89.3Confident2 Ų223.7 Ų23.71%0.00912%0.115CC..Hα-helixtrans-66.3-28.3175.4-79.8-74.8000113G1414 L1421 S1422 Y1450 V1454 A1455 L1521 A1524 I1525 Y1528G1414-F1418 WeakPolarHBondContact O-CD2 3.49Å; G1414-F1418 PolarHBondContact O-N 3.41Å; F1418-L1421 HydrophobicContact CD1-CD1 4.3Å; F1418-S1422 VanDerWaalsContact O-CB 3.32Å; F1418-S1422 WeakPolarHBondContact O-CB 3.48Å; F1418-S1422 PolarHBondContact O-N 2.92Å; F1418-S1422 PolarHBondContact O-OG 3.11Å; F1418-Y1450 HydrophobicContact CE1-CD1 4.28Å; F1418-Y1450 HydrophobicContact CZ-CD1 4.15Å; F1418-V1454 HydrophobicContact CE2-CG1 3.9Å; F1418-V1454 HydrophobicContact CZ-CB 4.43Å; F1418-V1454 HydrophobicContact CZ-CG1 3.93Å; F1418-A1455 HydrophobicContact CZ-CB 4.17Å; F1418-L1521 HydrophobicContact CD2-CD1 3.8Å; F1418-L1521 HydrophobicContact CE2-CD1 4.34Å; F1418-A1524 HydrophobicContact CB-CB 3.75Å; F1418-I1525 HydrophobicContact CD1-CG1 3.97Å; F1418-I1525 HydrophobicContact CD2-CD1 4.43Å; F1418-I1525 HydrophobicContact CD2-CG1 3.66Å; F1418-I1525 HydrophobicContact CE1-CG1 4Å; F1418-I1525 HydrophobicContact CE2-CD1 4.14Å; F1418-I1525 HydrophobicContact CE2-CG1 3.69Å; F1418-I1525 HydrophobicContact CG-CG1 3.82Å; F1418-I1525 HydrophobicContact CZ-CD1 4.43Å; F1418-I1525 HydrophobicContact CZ-CG1 3.87Å; F1418-Y1528 AromaticContact CD1-CD1 3.82Å; F1418-Y1528 HydrophobicContact CD1-CD1 3.82Å; F1418-Y1528 HydrophobicContact CD1-CG 4.15Å; F1418-Y1528 AromaticContact CE1-CD1 3.92Å; F1418-Y1528 HydrophobicContact CE1-CD1 3.92Å; F1418-Y1528 HydrophobicContact CE1-CE1 4.36Å
1419N92.4Very high89.6Confident62 Ų6221.8 Ų21.833%0.33211%0.105SC..Hα-helixtrans-69.9-39.7169.8-86.7-77.1000112.7A1415 S1416 V1417 S1422 R1423A1415-N1419 WeakPolarHBondContact O-CB 3.2Å; A1415-N1419 PolarHBondContact O-N 3.21Å; A1415-N1419 VanDerWaalsContact O-N 3.13Å; A1415-N1419 PolarHBondContact O-ND2 3.12Å; S1416-N1419 PolarHBondContact O-N 3Å; V1417-N1419 VanDerWaalsContact C-N 3.27Å; V1417-N1419 PolarHBondContact O-N 3.35Å; N1419-S1422 WeakPolarHBondContact O-CB 3.48Å; N1419-S1422 PolarHBondContact O-N 2.93Å; N1419-R1423 WeakPolarHBondContact O-CG 3.29Å; N1419-R1423 PolarHBondContact O-N 3.16Å
1420L91.2Very high89.4Confident0 Ų025 Ų250%011%0.113CC..Hα-helixtrans-62.7-47.6173.9171.560.3000111.4I1338 Y1341 E1342 L1345 F1381 L1385 S1416 V1417 S1422 R1423 L1424I1338-L1420 HydrophobicContact CG2-CD2 4.42Å; Y1341-L1420 HydrophobicContact CD2-CD2 4.31Å; Y1341-L1420 HydrophobicContact CG-CD2 4.49Å; E1342-L1420 HydrophobicContact CG-CD1 4.03Å; L1345-L1420 HydrophobicContact CD2-CD1 3.92Å; F1381-L1420 HydrophobicContact CZ-CD1 4.48Å; L1385-L1420 HydrophobicContact CD2-CD2 3.87Å; S1416-L1420 WeakPolarHBondContact O-CB 3.32Å; S1416-L1420 PolarHBondContact O-N 2.88Å; V1417-L1420 WeakPolarHBondContact O-CB 3.49Å; V1417-L1420 PolarHBondContact O-N 3.06Å; V1417-L1420 VanDerWaalsContact O-N 3.15Å; L1420-S1422 VanDerWaalsContact C-N 3.29Å; L1420-S1422 PolarHBondContact O-N 3.32Å; L1420-R1423 WeakPolarHBondContact O-CA 3.48Å; L1420-R1423 WeakPolarHBondContact O-CB 3.24Å; L1420-R1423 PolarHBondContact O-N 2.92Å; L1420-L1424 PolarHBondContact O-N 2.69Å
1421L92.2Very high89.1Confident0 Ų025.5 Ų25.50%012%0.115CC..Hα-helixtrans-60.7-36.7172.9-69.1172.3000112.4L1385 V1417 F1418 R1423 L1424 T1425 L1446 Y1450 Y1528L1385-L1421 HydrophobicContact CD1-CD2 4.43Å; V1417-L1421 HydrophobicContact CG1-CD1 4.31Å; V1417-L1421 WeakPolarHBondContact O-CG 3.36Å; V1417-L1421 PolarHBondContact O-N 3.45Å; F1418-L1421 HydrophobicContact CD1-CD1 4.3Å; L1421-R1423 VanDerWaalsContact C-N 3.29Å; L1421-R1423 PolarHBondContact O-N 2.79Å; L1421-L1424 PolarHBondContact O-N 3.24Å; L1421-T1425 VanDerWaalsContact O-CB 3.32Å; L1421-T1425 WeakPolarHBondContact O-CB 3.38Å; L1421-T1425 PolarHBondContact O-N 3.04Å; L1421-T1425 PolarHBondContact O-OG1 3.49Å; L1421-L1446 HydrophobicContact CD2-CD1 4.38Å; L1421-L1446 HydrophobicContact CD2-CD2 4.06Å; L1421-L1446 HydrophobicContact CD2-CG 4.33Å; L1421-Y1450 HydrophobicContact CD1-CD1 3.41Å; L1421-Y1450 VanDerWaalsContact CD1-CD1 3.41Å; L1421-Y1450 HydrophobicContact CD1-CD2 3.82Å; L1421-Y1450 HydrophobicContact CD1-CE1 3.65Å; L1421-Y1450 HydrophobicContact CD1-CE2 4.05Å; L1421-Y1450 HydrophobicContact CD1-CG 3.49Å; L1421-Y1450 VanDerWaalsContact CD1-CG 3.49Å; L1421-Y1450 HydrophobicContact CD2-CD2 4.45Å; L1421-Y1450 HydrophobicContact CD2-CE2 4.35Å; L1421-Y1528 HydrophobicContact CB-CD2 3.7Å; L1421-Y1528 HydrophobicContact CB-CE2 3.74Å; L1421-Y1528 HydrophobicContact CB-CG 4.37Å; L1421-Y1528 HydrophobicContact CD1-CE2 4.48Å
1422S92.2Very high88.8Confident2 Ų226.4 Ų26.41%0.01412%0.121CC..Hα-helixtrans-64.4-31.2172.3-65.60000112.8F1418 N1419 L1420 K1426 Y1528F1418-S1422 VanDerWaalsContact O-CB 3.32Å; F1418-S1422 WeakPolarHBondContact O-CB 3.48Å; F1418-S1422 PolarHBondContact O-N 2.92Å; F1418-S1422 PolarHBondContact O-OG 3.11Å; N1419-S1422 WeakPolarHBondContact O-CB 3.48Å; N1419-S1422 PolarHBondContact O-N 2.93Å; L1420-S1422 VanDerWaalsContact C-N 3.29Å; L1420-S1422 PolarHBondContact O-N 3.32Å; S1422-K1426 WeakPolarHBondContact O-CD 3.23Å; S1422-K1426 WeakPolarHBondContact O-CG 3.49Å; S1422-K1426 PolarHBondContact O-N 3.36Å; S1422-Y1528 VanDerWaalsContact OG-CA 3.31Å; S1422-Y1528 WeakPolarHBondContact OG-CA 3.42Å; S1422-Y1528 PolarHBondContact OG-N 3.01Å
1423R88.7Confident88.5Confident108 Ų10828.6 Ų28.641%0.40813%0.126SC..Hα-helixtrans-75.3-43.9172.7-67.7-175.6-161.1153.919.7111.8E1342 L1345 N1419 L1420 L1421 T1425 K1426 Y1427E1342-R1423 IonicContact OE1-CZ 3.48Å; E1342-R1423 IonicContact OE1-NH1 2.77Å; E1342-R1423 PolarHBondContact OE1-NH1 3.4Å; E1342-R1423 IonicContact OE1-NH2 2.73Å; E1342-R1423 PolarHBondContact OE1-NH2 3.39Å; L1345-R1423 HydrophobicContact CD2-CB 3.69Å; N1419-R1423 WeakPolarHBondContact O-CG 3.29Å; N1419-R1423 PolarHBondContact O-N 3.16Å; L1420-R1423 WeakPolarHBondContact O-CA 3.48Å; L1420-R1423 WeakPolarHBondContact O-CB 3.24Å; L1420-R1423 PolarHBondContact O-N 2.92Å; L1421-R1423 VanDerWaalsContact C-N 3.29Å; L1421-R1423 PolarHBondContact O-N 2.79Å; R1423-T1425 VanDerWaalsContact C-N 3.3Å; R1423-T1425 PolarHBondContact O-N 3.02Å; R1423-K1426 CarbonylContact O-C 3.54Å; R1423-K1426 WeakPolarHBondContact O-CA 3.46Å; R1423-K1426 WeakPolarHBondContact O-CB 3.47Å; R1423-K1426 PolarHBondContact O-N 3.04Å; R1423-K1426 VanDerWaalsContact O-N 3.09Å; R1423-Y1427 PolarHBondContact O-N 3.06Å
1424L90.3Very high87.7Confident1 Ų132 Ų321%0.00514%0.144CC..Hα-helixtrans-59.7-43.3176.5178.156.7000111.2L1345 F1381 L1385 L1420 L1421 K1426 Y1427 Y1428 F1443 L1446L1345-L1424 HydrophobicContact CD1-CD1 3.95Å; L1345-L1424 HydrophobicContact CD2-CB 4.09Å; F1381-L1424 HydrophobicContact CD1-CD1 4.3Å; F1381-L1424 HydrophobicContact CD1-CD2 4.4Å; F1381-L1424 HydrophobicContact CE1-CD1 4.05Å; F1381-L1424 HydrophobicContact CE1-CD2 4.11Å; L1385-L1424 HydrophobicContact CD1-CD2 3.54Å; L1420-L1424 PolarHBondContact O-N 2.69Å; L1421-L1424 PolarHBondContact O-N 3.24Å; L1424-K1426 VanDerWaalsContact C-N 3.31Å; L1424-K1426 PolarHBondContact O-N 3.48Å; L1424-Y1427 HydrophobicContact CD1-CD1 4.16Å; L1424-Y1427 WeakPolarHBondContact O-CB 3.27Å; L1424-Y1427 PolarHBondContact O-N 3.32Å; L1424-Y1427 VanDerWaalsContact O-N 3.11Å; L1424-Y1428 HydrophobicContact CD1-CD2 3.92Å; L1424-Y1428 HydrophobicContact CD1-CE2 3.37Å; L1424-Y1428 HydrophobicContact CD2-CE2 4.14Å; L1424-Y1428 HydrophobicContact CG-CD2 4.01Å; L1424-Y1428 HydrophobicContact CG-CE2 3.6Å; L1424-Y1428 WeakPolarHBondContact O-CD2 3.49Å; L1424-Y1428 PolarHBondContact O-N 3.05Å; L1424-F1443 HydrophobicContact CD2-CD2 4.4Å; L1424-F1443 HydrophobicContact CD2-CE2 4.05Å; L1424-F1443 HydrophobicContact CG-CE2 4.18Å; L1424-L1446 HydrophobicContact CD2-CD2 3.87Å
1425T89.8Confident86.6Confident0 Ų041 Ų410%018%0.183CC..Hα-helixtrans-64-35.5176-51.90000111.8L1421 R1423 L1429 F1531 L1532 L1535L1421-T1425 VanDerWaalsContact O-CB 3.32Å; L1421-T1425 WeakPolarHBondContact O-CB 3.38Å; L1421-T1425 PolarHBondContact O-N 3.04Å; L1421-T1425 PolarHBondContact O-OG1 3.49Å; R1423-T1425 VanDerWaalsContact C-N 3.3Å; R1423-T1425 PolarHBondContact O-N 3.02Å; T1425-L1429 WeakPolarHBondContact O-CB 3.37Å; T1425-L1429 PolarHBondContact O-N 3.13Å; T1425-F1531 VanDerWaalsContact CG2-C 3.5Å; T1425-F1531 HydrophobicContact CG2-CB 3.81Å; T1425-L1532 HydrophobicContact CG2-CB 4.39Å; T1425-L1535 HydrophobicContact CG2-CB 4.13Å; T1425-L1535 HydrophobicContact CG2-CD2 4Å
1426K89.3Confident85.3Confident97 Ų9745.5 Ų45.542%0.42220%0.2SC..Hα-helixtrans-68.5-34.3171.9-74.7165.2-172.3172.40113S1422 R1423 L1424 L1429 R1430 F1531S1422-K1426 WeakPolarHBondContact O-CD 3.23Å; S1422-K1426 WeakPolarHBondContact O-CG 3.49Å; S1422-K1426 PolarHBondContact O-N 3.36Å; R1423-K1426 CarbonylContact O-C 3.54Å; R1423-K1426 WeakPolarHBondContact O-CA 3.46Å; R1423-K1426 WeakPolarHBondContact O-CB 3.47Å; R1423-K1426 PolarHBondContact O-N 3.04Å; R1423-K1426 VanDerWaalsContact O-N 3.09Å; L1424-K1426 VanDerWaalsContact C-N 3.31Å; L1424-K1426 PolarHBondContact O-N 3.48Å; K1426-L1429 CarbonylContact O-C 3.55Å; K1426-L1429 PolarHBondContact O-N 3.09Å; K1426-R1430 PolarHBondContact O-N 3.12Å; K1426-F1531 HydrophobicContact CG-CD1 3.97Å; K1426-F1531 HydrophobicContact CG-CE1 4.24Å; K1426-F1531 HydrophobicContact CG-CG 4.15Å
1427Y86.8Confident84.2Confident14 Ų1445.4 Ų45.46%0.05520%0.204CC..Hα-helixtrans-66-52.3175.9166.2-97.5000111L1345 I1348 E1378 R1423 L1424 L1429 R1430 I1431L1345-Y1427 HydrophobicContact CD1-CD1 4.25Å; L1345-Y1427 HydrophobicContact CD1-CG 4.05Å; I1348-Y1427 HydrophobicContact CG2-CE1 4.41Å; I1348-Y1427 HydrophobicContact CG2-CE2 3.93Å; I1348-Y1427 WeakPolarHBondContact CG2-OH 3.47Å; E1378-Y1427 WeakPolarHBondContact OE1-CE1 3.24Å; E1378-Y1427 VanDerWaalsContact OE1-CZ 3.28Å; E1378-Y1427 PolarHBondContact OE1-OH 3.44Å; R1423-Y1427 PolarHBondContact O-N 3.06Å; L1424-Y1427 HydrophobicContact CD1-CD1 4.16Å; L1424-Y1427 WeakPolarHBondContact O-CB 3.27Å; L1424-Y1427 PolarHBondContact O-N 3.32Å; L1424-Y1427 VanDerWaalsContact O-N 3.11Å; Y1427-L1429 VanDerWaalsContact C-N 3.28Å; Y1427-L1429 PolarHBondContact O-N 2.66Å; Y1427-R1430 WeakPolarHBondContact O-CA 3.23Å; Y1427-R1430 VanDerWaalsContact O-CB 3.28Å; Y1427-R1430 WeakPolarHBondContact O-CB 3.41Å; Y1427-R1430 PolarHBondContact O-N 3.17Å; Y1427-I1431 HydrophobicContact CD1-CD1 4.04Å; Y1427-I1431 HydrophobicContact CE1-CD1 3.43Å; Y1427-I1431 VanDerWaalsContact CE1-CD1 3.43Å; Y1427-I1431 HydrophobicContact CE2-CD1 4.1Å; Y1427-I1431 VanDerWaalsContact CZ-CD1 3.46Å; Y1427-I1431 PolarHBondContact O-N 2.92Å
1428Y87.5Confident83.3Confident1 Ų155.8 Ų55.80%0.00424%0.243CC..Hα-helixtrans-60.7-37.2172.3-67.2-50.5000112.7E1378 C1382 L1424 R1430 I1431 V1432 F1439 F1443E1378-Y1428 WeakPolarHBondContact OE2-CE1 3.46Å; C1382-Y1428 PolarHBondContact SG-OH 3.25Å; L1424-Y1428 HydrophobicContact CD1-CD2 3.92Å; L1424-Y1428 HydrophobicContact CD1-CE2 3.37Å; L1424-Y1428 HydrophobicContact CD2-CE2 4.14Å; L1424-Y1428 HydrophobicContact CG-CD2 4.01Å; L1424-Y1428 HydrophobicContact CG-CE2 3.6Å; L1424-Y1428 WeakPolarHBondContact O-CD2 3.49Å; L1424-Y1428 PolarHBondContact O-N 3.05Å; Y1428-R1430 PolarHBondContact O-N 2.97Å; Y1428-I1431 HydrophobicContact CD1-CD1 4.07Å; Y1428-I1431 PolarHBondContact O-N 2.93Å; Y1428-V1432 WeakPolarHBondContact O-CB 3.28Å; Y1428-V1432 WeakPolarHBondContact O-CG2 3.21Å; Y1428-V1432 PolarHBondContact O-N 3.07Å; Y1428-F1439 HydrophobicContact CD1-CB 3.58Å; Y1428-F1439 HydrophobicContact CD2-CB 4.19Å; Y1428-F1439 HydrophobicContact CE1-CB 3.78Å; Y1428-F1439 HydrophobicContact CE2-CB 4.35Å; Y1428-F1439 HydrophobicContact CG-CB 3.81Å; Y1428-F1443 HydrophobicContact CD2-CD1 4.39Å; Y1428-F1443 AromaticContact CD2-CD2 3.95Å; Y1428-F1443 HydrophobicContact CD2-CD2 3.95Å; Y1428-F1443 HydrophobicContact CD2-CE1 4.22Å; Y1428-F1443 AromaticContact CD2-CE2 3.75Å; Y1428-F1443 HydrophobicContact CD2-CE2 3.75Å; Y1428-F1443 HydrophobicContact CD2-CG 4.27Å; Y1428-F1443 AromaticContact CD2-CZ 3.9Å; Y1428-F1443 HydrophobicContact CD2-CZ 3.9Å; Y1428-F1443 HydrophobicContact CE2-CD1 4.44Å; Y1428-F1443 AromaticContact CE2-CD2 3.38Å; Y1428-F1443 HydrophobicContact CE2-CD2 3.38Å; Y1428-F1443 AromaticContact CE2-CE2 3.57Å; Y1428-F1443 HydrophobicContact CE2-CE2 3.57Å; Y1428-F1443 AromaticContact CE2-CG 3.87Å; Y1428-F1443 HydrophobicContact CE2-CG 3.87Å; Y1428-F1443 HydrophobicContact CE2-CZ 4.18Å
1429L86.5Confident82.8Confident6 Ų656.5 Ų56.53%0.03125%0.246CC..Hα-helixtrans-66.1-20.9173.3-177.463.1000112.9T1425 K1426 Y1427 R1433 F1531 Q1534 L1535 K1538T1425-L1429 WeakPolarHBondContact O-CB 3.37Å; T1425-L1429 PolarHBondContact O-N 3.13Å; K1426-L1429 CarbonylContact O-C 3.55Å; K1426-L1429 PolarHBondContact O-N 3.09Å; Y1427-L1429 VanDerWaalsContact C-N 3.28Å; Y1427-L1429 PolarHBondContact O-N 2.66Å; L1429-R1433 HydrophobicContact CD1-CG 4.48Å; L1429-R1433 VanDerWaalsContact O-CB 3.28Å; L1429-R1433 WeakPolarHBondContact O-CB 3.29Å; L1429-R1433 WeakPolarHBondContact O-CD 3.41Å; L1429-R1433 WeakPolarHBondContact O-CG 3.41Å; L1429-R1433 PolarHBondContact O-N 3.23Å; L1429-F1531 HydrophobicContact CD2-CD1 4.37Å; L1429-Q1534 HydrophobicContact CD1-CB 4.35Å; L1429-Q1534 HydrophobicContact CD2-CB 4.01Å; L1429-L1535 HydrophobicContact CB-CD1 4.37Å; L1429-K1538 HydrophobicContact CD1-CB 4.46Å; L1429-K1538 HydrophobicContact CD1-CD 4.14Å; L1429-K1538 HydrophobicContact CD1-CG 4.43Å
1430R82.3Confident82.3Confident105 Ų10554 Ų5440%0.39623%0.233SC..Hα-helixtrans-76.7-51.3169.4-174.2179.7-178.3-177.61.3110.2K1426 Y1427 Y1428 V1432 R1433 L1434K1426-R1430 PolarHBondContact O-N 3.12Å; Y1427-R1430 WeakPolarHBondContact O-CA 3.23Å; Y1427-R1430 VanDerWaalsContact O-CB 3.28Å; Y1427-R1430 WeakPolarHBondContact O-CB 3.41Å; Y1427-R1430 PolarHBondContact O-N 3.17Å; Y1428-R1430 PolarHBondContact O-N 2.97Å; R1430-V1432 PolarHBondContact O-N 3.38Å; R1430-R1433 PolarHBondContact O-N 3.47Å; R1430-L1434 HydrophobicContact CG-CD1 3.72Å; R1430-L1434 VanDerWaalsContact O-CG 3.31Å; R1430-L1434 WeakPolarHBondContact O-CG 3.41Å; R1430-L1434 PolarHBondContact O-N 3.21Å
1431I81Confident82Confident9 Ų959.6 Ų59.65%0.04627%0.267CS..Hα-helixtrans-54.2-55.2177.4-64.3160.9000110.9Y1352 Y1427 Y1428 R1433 L1434 K1435Y1352-I1431 HydrophobicContact CE1-CG1 4.28Å; Y1352-I1431 HydrophobicContact CE2-CG1 4.03Å; Y1427-I1431 HydrophobicContact CD1-CD1 4.04Å; Y1427-I1431 HydrophobicContact CE1-CD1 3.43Å; Y1427-I1431 VanDerWaalsContact CE1-CD1 3.43Å; Y1427-I1431 HydrophobicContact CE2-CD1 4.1Å; Y1427-I1431 VanDerWaalsContact CZ-CD1 3.46Å; Y1427-I1431 PolarHBondContact O-N 2.92Å; Y1428-I1431 HydrophobicContact CD1-CD1 4.07Å; Y1428-I1431 PolarHBondContact O-N 2.93Å; I1431-R1433 VanDerWaalsContact C-N 3.26Å; I1431-R1433 PolarHBondContact O-N 2.91Å; I1431-L1434 CarbonylContact O-C 3.58Å; I1431-L1434 PolarHBondContact O-N 2.92Å; I1431-K1435 PolarHBondContact O-N 3.42Å
1432V81.3Confident81.7Confident27 Ų2761.4 Ų61.416%0.16428%0.276CS..Hα-helixtrans-64.1-29.8-177.3173.60000112.1Y1428 R1430 L1535 K1538Y1428-V1432 WeakPolarHBondContact O-CB 3.28Å; Y1428-V1432 WeakPolarHBondContact O-CG2 3.21Å; Y1428-V1432 PolarHBondContact O-N 3.07Å; R1430-V1432 PolarHBondContact O-N 3.38Å; V1432-L1535 HydrophobicContact CB-CD1 4.42Å; V1432-L1535 HydrophobicContact CG2-CD1 4.17Å; V1432-K1538 HydrophobicContact CG1-CB 4.16Å
1433R80.7Confident81.5Confident128 Ų12861.3 Ų61.348%0.48328%0.275SS..Hα-helixtrans-71.3-31.4172.8-80.7173.4-169.1-1584113.1L1429 R1430 I1431 K1538L1429-R1433 HydrophobicContact CD1-CG 4.48Å; L1429-R1433 VanDerWaalsContact O-CB 3.28Å; L1429-R1433 WeakPolarHBondContact O-CB 3.29Å; L1429-R1433 WeakPolarHBondContact O-CD 3.41Å; L1429-R1433 WeakPolarHBondContact O-CG 3.41Å; L1429-R1433 PolarHBondContact O-N 3.23Å; R1430-R1433 PolarHBondContact O-N 3.47Å; I1431-R1433 VanDerWaalsContact C-N 3.26Å; I1431-R1433 PolarHBondContact O-N 2.91Å; R1433-K1538 HydrophobicContact CG-CD 3.71Å
1434L72.6Confident81.5Confident71 Ų7159.1 Ų59.137%0.37227%0.27SS..Hα-helixtrans-94.50.2-177.5-62.6170.3000112.9Y1352 L1356 R1430 I1431 Y1436Y1352-L1434 HydrophobicContact CE1-CD1 4.28Å; L1356-L1434 HydrophobicContact CD2-CD1 4.05Å; R1430-L1434 HydrophobicContact CG-CD1 3.72Å; R1430-L1434 VanDerWaalsContact O-CG 3.31Å; R1430-L1434 WeakPolarHBondContact O-CG 3.41Å; R1430-L1434 PolarHBondContact O-N 3.21Å; I1431-L1434 CarbonylContact O-C 3.58Å; I1431-L1434 PolarHBondContact O-N 2.92Å; L1434-Y1436 HydrophobicContact CB-CD2 3.58Å; L1434-Y1436 HydrophobicContact CB-CE2 3.83Å; L1434-Y1436 WeakPolarHBondContact O-CD2 3.48Å; L1434-Y1436 WeakPolarHBondContact O-CE2 3.24Å; L1434-Y1436 PolarHBondContact O-N 3.06Å; L1434-Y1436 VanDerWaalsContact O-N 3.13Å
1435K68Low81.4Confident193 Ų19365.2 Ų65.284%0.83929%0.293SS*.THydrogen-bonded Turntrans66.3-6.9178.3-59.4-177.1177.8179.70117.5I1431 G1437I1431-K1435 PolarHBondContact O-N 3.42Å; K1435-G1437 PolarHBondContact O-N 3.45Å
1436Y62.9Low81.4Confident97 Ų9765.2 Ų65.238%0.3829%0.293SS..SBendtrans-70.116.4-178.9-57.8-85.4000116.3Y1352 L1356 L1434Y1352-Y1436 WeakPolarHBondContact OH-CD2 3.42Å; L1356-Y1436 HydrophobicContact CD1-CD2 3.94Å; L1356-Y1436 HydrophobicContact CD1-CE2 3.79Å; L1356-Y1436 HydrophobicContact CD1-CG 4.49Å; L1356-Y1436 HydrophobicContact CD2-CE2 3.9Å; L1356-Y1436 HydrophobicContact CG-CD2 4.48Å; L1356-Y1436 HydrophobicContact CG-CE2 3.83Å; L1434-Y1436 HydrophobicContact CB-CD2 3.58Å; L1434-Y1436 HydrophobicContact CB-CE2 3.83Å; L1434-Y1436 WeakPolarHBondContact O-CD2 3.48Å; L1434-Y1436 WeakPolarHBondContact O-CE2 3.24Å; L1434-Y1436 PolarHBondContact O-N 3.06Å; L1434-Y1436 VanDerWaalsContact O-N 3.13Å
1437G67.5Low81.4Confident31 Ų3160.6 Ų60.632%0.3227%0.273SS..  trans164.1179.217800000116.3K1435K1435-G1437 PolarHBondContact O-N 3.45Å
1438R73.1Confident81.5Confident218 Ų21865.4 Ų65.482%0.82329%0.291SS*.  trans-120.2157.4171.5-60.4-178.5-175.8-179.53108.6
1439F82Confident81.6Confident17 Ų1765.7 Ų65.78%0.07529%0.293CS..  trans-75.2152170.153.9-105.4000110.9Y1428 F1443 E1444 L1535 I1541 L1543Y1428-F1439 HydrophobicContact CD1-CB 3.58Å; Y1428-F1439 HydrophobicContact CD2-CB 4.19Å; Y1428-F1439 HydrophobicContact CE1-CB 3.78Å; Y1428-F1439 HydrophobicContact CE2-CB 4.35Å; Y1428-F1439 HydrophobicContact CG-CB 3.81Å; F1439-F1443 HydrophobicContact CB-CD1 4.42Å; F1439-F1443 HydrophobicContact CD2-CB 4.02Å; F1439-F1443 AromaticContact CD2-CD1 3.82Å; F1439-F1443 HydrophobicContact CD2-CD1 3.82Å; F1439-F1443 HydrophobicContact CD2-CG 4.34Å; F1439-F1443 HydrophobicContact CE2-CD1 4.17Å; F1439-F1443 HydrophobicContact CG-CD1 4.01Å; F1439-E1444 HydrophobicContact CE2-CG 4.37Å; F1439-L1535 HydrophobicContact CD1-CD1 4.27Å; F1439-L1535 HydrophobicContact CD1-CD2 4.21Å; F1439-L1535 HydrophobicContact CD1-CG 4.44Å; F1439-L1535 HydrophobicContact CE1-CD1 4.29Å; F1439-L1535 HydrophobicContact CE1-CD2 4.27Å; F1439-L1535 HydrophobicContact CE1-CG 4.19Å; F1439-I1541 HydrophobicContact CE1-CD1 4.39Å; F1439-I1541 HydrophobicContact CE2-CD1 4.09Å; F1439-I1541 HydrophobicContact CZ-CB 4.18Å; F1439-I1541 HydrophobicContact CZ-CD1 3.62Å; F1439-I1541 HydrophobicContact CZ-CG1 4.48Å; F1439-I1541 HydrophobicContact CZ-CG2 4.22Å; F1439-L1543 HydrophobicContact CE1-CD1 4.33Å; F1439-L1543 HydrophobicContact CE2-CD2 4.25Å; F1439-L1543 HydrophobicContact CZ-CD1 4.16Å; F1439-L1543 HydrophobicContact CZ-CD2 3.98Å; F1439-L1543 HydrophobicContact CZ-CG 4.38Å
1440P83.4Confident81.7Confident9 Ų965.4 Ų65.46%0.05829%0.291CS..  trans-65.6151.2178.2-20.131.4000113.2E1378 E1379 I1442 F1443E1378-P1440 HydrophobicContact CB-CG 3.69Å; E1379-P1440 HydrophobicContact CG-CB 3.47Å; E1379-P1440 VanDerWaalsContact CG-CB 3.47Å; E1379-P1440 HydrophobicContact CG-CG 3.94Å; P1440-I1442 PolarHBondContact O-N 3.17Å; P1440-F1443 WeakPolarHBondContact O-CB 3.33Å; P1440-F1443 PolarHBondContact O-N 3.18Å
1441V83.8Confident81.9Confident118 Ų11860.5 Ų60.572%0.71527%0.273SS*.THydrogen-bonded Turntrans-60.7-30.6-179-176.90000111.9F1443 E1444V1441-F1443 PolarHBondContact O-N 3.41Å; V1441-F1443 VanDerWaalsContact O-N 3.15Å; V1441-E1444 PolarHBondContact O-N 2.88Å
1442I86.7Confident82.2Confident37 Ų3765.4 Ų65.419%0.1929%0.291CS..Hα-helixtrans-58.6-26.5175.3-50.8-171.9000111.9E1379 C1382 L1383 I1386 P1440 E1444 R1445 L1446E1379-I1442 HydrophobicContact CB-CD1 3.78Å; E1379-I1442 HydrophobicContact CG-CD1 3.78Å; E1379-I1442 HydrophobicContact CG-CG1 4.18Å; C1382-I1442 HydrophobicContact CB-CB 4.2Å; C1382-I1442 HydrophobicContact CB-CG2 3.78Å; L1383-I1442 HydrophobicContact CD1-CD1 4.34Å; L1383-I1442 HydrophobicContact CD2-CD1 4.25Å; L1383-I1442 HydrophobicContact CD2-CG2 3.96Å; L1383-I1442 HydrophobicContact CG-CD1 4.14Å; L1383-I1442 HydrophobicContact CG-CG2 4.2Å; I1386-I1442 HydrophobicContact CD1-CG2 3.77Å; P1440-I1442 PolarHBondContact O-N 3.17Å; I1442-E1444 PolarHBondContact O-N 3.18Å; I1442-R1445 WeakPolarHBondContact O-CB 3.25Å; I1442-R1445 PolarHBondContact O-N 2.81Å; I1442-R1445 VanDerWaalsContact O-N 3.08Å; I1442-L1446 PolarHBondContact O-N 3.06Å
1443F88.3Confident82.4Confident0 Ų067.6 Ų67.60%030%0.299CS..Hα-helixtrans-60.8-30.7175.1-173.2-111000112.6L1424 Y1428 F1439 P1440 V1441 L1446 V1447 L1535 L1543L1424-F1443 HydrophobicContact CD2-CD2 4.4Å; L1424-F1443 HydrophobicContact CD2-CE2 4.05Å; L1424-F1443 HydrophobicContact CG-CE2 4.18Å; Y1428-F1443 HydrophobicContact CD2-CD1 4.39Å; Y1428-F1443 AromaticContact CD2-CD2 3.95Å; Y1428-F1443 HydrophobicContact CD2-CD2 3.95Å; Y1428-F1443 HydrophobicContact CD2-CE1 4.22Å; Y1428-F1443 AromaticContact CD2-CE2 3.75Å; Y1428-F1443 HydrophobicContact CD2-CE2 3.75Å; Y1428-F1443 HydrophobicContact CD2-CG 4.27Å; Y1428-F1443 AromaticContact CD2-CZ 3.9Å; Y1428-F1443 HydrophobicContact CD2-CZ 3.9Å; Y1428-F1443 HydrophobicContact CE2-CD1 4.44Å; Y1428-F1443 AromaticContact CE2-CD2 3.38Å; Y1428-F1443 HydrophobicContact CE2-CD2 3.38Å; Y1428-F1443 AromaticContact CE2-CE2 3.57Å; Y1428-F1443 HydrophobicContact CE2-CE2 3.57Å; Y1428-F1443 AromaticContact CE2-CG 3.87Å; Y1428-F1443 HydrophobicContact CE2-CG 3.87Å; Y1428-F1443 HydrophobicContact CE2-CZ 4.18Å; F1439-F1443 HydrophobicContact CB-CD1 4.42Å; F1439-F1443 HydrophobicContact CD2-CB 4.02Å; F1439-F1443 AromaticContact CD2-CD1 3.82Å; F1439-F1443 HydrophobicContact CD2-CD1 3.82Å; F1439-F1443 HydrophobicContact CD2-CG 4.34Å; F1439-F1443 HydrophobicContact CE2-CD1 4.17Å; F1439-F1443 HydrophobicContact CG-CD1 4.01Å; P1440-F1443 WeakPolarHBondContact O-CB 3.33Å; P1440-F1443 PolarHBondContact O-N 3.18Å; V1441-F1443 PolarHBondContact O-N 3.41Å; V1441-F1443 VanDerWaalsContact O-N 3.15Å; F1443-L1446 HydrophobicContact CD2-CD2 3.85Å; F1443-L1446 HydrophobicContact CE2-CD2 4.03Å; F1443-L1446 WeakPolarHBondContact O-CB 3.33Å; F1443-L1446 PolarHBondContact O-N 3.47Å; F1443-V1447 HydrophobicContact CD1-CG2 4.17Å; F1443-V1447 HydrophobicContact CE1-CG2 3.81Å; F1443-V1447 HydrophobicContact CE2-CG2 4.45Å; F1443-V1447 HydrophobicContact CZ-CG2 3.96Å; F1443-V1447 WeakPolarHBondContact O-CG2 3.24Å; F1443-V1447 PolarHBondContact O-N 3.1Å; F1443-L1535 HydrophobicContact CE1-CD2 3.67Å; F1443-L1535 HydrophobicContact CZ-CD2 4.18Å; F1443-L1543 HydrophobicContact CE1-CD1 4.04Å
1444E86.9Confident82.7Confident62 Ų6261.5 Ų61.529%0.2928%0.276SS..Hα-helixtrans-68.2-35.9174.4-66-158.4-158.200112.8F1439 V1441 I1442 R1448 I1541 L1543F1439-E1444 HydrophobicContact CE2-CG 4.37Å; V1441-E1444 PolarHBondContact O-N 2.88Å; I1442-E1444 PolarHBondContact O-N 3.18Å; E1444-R1448 PolarHBondContact O-N 3.1Å; E1444-R1448 VanDerWaalsContact O-N 3.09Å; E1444-I1541 VanDerWaalsContact OE1-CG2 3.31Å; E1444-I1541 WeakPolarHBondContact OE1-CG2 3.31Å; E1444-L1543 HydrophobicContact CG-CD2 3.88Å
1445R88.1Confident83.5Confident129 Ų12958.3 Ų58.349%0.48726%0.26SS..Hα-helixtrans-65.5-42.9171.9-179.9178.3167.7-175-5.9110.4I1386 E1390 I1442 V1447 R1448 V1449I1386-R1445 HydrophobicContact CD1-CB 4.04Å; I1386-R1445 HydrophobicContact CD1-CG 3.74Å; I1386-R1445 HydrophobicContact CG1-CG 4.42Å; E1390-R1445 IonicContact OE1-NH2 3.62Å; E1390-R1445 PolarHBondContact OE1-NH2 2.92Å; I1442-R1445 WeakPolarHBondContact O-CB 3.25Å; I1442-R1445 PolarHBondContact O-N 2.81Å; I1442-R1445 VanDerWaalsContact O-N 3.08Å; R1445-V1447 PolarHBondContact O-N 3.12Å; R1445-R1448 WeakPolarHBondContact O-CB 3.39Å; R1445-R1448 PolarHBondContact O-N 3.23Å; R1445-R1448 VanDerWaalsContact O-N 3.16Å; R1445-V1449 PolarHBondContact O-N 2.73Å; R1445-V1449 VanDerWaalsContact O-N 3.12Å
1446L90.5Very high84.4Confident0 Ų051 Ų510%023%0.233CC..Hα-helixtrans-56.8-50.3175.3178.565.4000111.5L1385 I1386 L1421 L1424 I1442 F1443 R1448 V1449 Y1450L1385-L1446 HydrophobicContact CB-CD1 3.5Å; L1385-L1446 HydrophobicContact CB-CD2 4.13Å; L1385-L1446 HydrophobicContact CB-CG 4.5Å; L1385-L1446 HydrophobicContact CD1-CD2 4.08Å; I1386-L1446 HydrophobicContact CD1-CB 4.34Å; I1386-L1446 HydrophobicContact CG1-CB 4.02Å; I1386-L1446 HydrophobicContact CG1-CD1 3.91Å; L1421-L1446 HydrophobicContact CD2-CD1 4.38Å; L1421-L1446 HydrophobicContact CD2-CD2 4.06Å; L1421-L1446 HydrophobicContact CD2-CG 4.33Å; L1424-L1446 HydrophobicContact CD2-CD2 3.87Å; I1442-L1446 PolarHBondContact O-N 3.06Å; F1443-L1446 HydrophobicContact CD2-CD2 3.85Å; F1443-L1446 HydrophobicContact CE2-CD2 4.03Å; F1443-L1446 WeakPolarHBondContact O-CB 3.33Å; F1443-L1446 PolarHBondContact O-N 3.47Å; L1446-R1448 VanDerWaalsContact C-N 3.26Å; L1446-R1448 PolarHBondContact O-N 3Å; L1446-V1449 PolarHBondContact O-N 3Å; L1446-Y1450 HydrophobicContact CD1-CD2 3.82Å; L1446-Y1450 HydrophobicContact CD1-CE2 3.51Å; L1446-Y1450 HydrophobicContact CG-CD2 4.46Å; L1446-Y1450 WeakPolarHBondContact O-CD2 3.3Å; L1446-Y1450 PolarHBondContact O-N 2.98Å
1447V89.7Confident85.5Confident0 Ų049.6 Ų49.60%023%0.227CC..Hα-helixtrans-57.2-39.9176.3170.10000111.8F1443 R1445 G1451 L1532 N1546 V1547F1443-V1447 HydrophobicContact CD1-CG2 4.17Å; F1443-V1447 HydrophobicContact CE1-CG2 3.81Å; F1443-V1447 HydrophobicContact CE2-CG2 4.45Å; F1443-V1447 HydrophobicContact CZ-CG2 3.96Å; F1443-V1447 WeakPolarHBondContact O-CG2 3.24Å; F1443-V1447 PolarHBondContact O-N 3.1Å; R1445-V1447 PolarHBondContact O-N 3.12Å; V1447-G1451 WeakPolarHBondContact O-CA 3.31Å; V1447-G1451 PolarHBondContact O-N 3.41Å; V1447-L1532 HydrophobicContact CB-CD1 4.23Å; V1447-L1532 HydrophobicContact CG1-CD1 3.61Å; V1447-L1532 HydrophobicContact CG1-CD2 4.49Å; V1447-L1532 HydrophobicContact CG2-CD1 3.58Å; V1447-N1546 HydrophobicContact CG1-CB 3.91Å; V1447-V1547 HydrophobicContact CG1-CG2 4.07Å
1448R88.9Confident86.4Confident116 Ų11648.1 Ų48.144%0.43821%0.212SC..Hα-helixtrans-64.7-43.6-179.8-171.7-179.7-66.5160.85113.1E1444 R1445 L1446 G1451 R1452 N1546E1444-R1448 PolarHBondContact O-N 3.1Å; E1444-R1448 VanDerWaalsContact O-N 3.09Å; R1445-R1448 WeakPolarHBondContact O-CB 3.39Å; R1445-R1448 PolarHBondContact O-N 3.23Å; R1445-R1448 VanDerWaalsContact O-N 3.16Å; L1446-R1448 VanDerWaalsContact C-N 3.26Å; L1446-R1448 PolarHBondContact O-N 3Å; R1448-G1451 PolarHBondContact O-N 3.03Å; R1448-R1452 HydrophobicContact CG-CG 4.24Å; R1448-R1452 VanDerWaalsContact O-CB 3.32Å; R1448-R1452 WeakPolarHBondContact O-CB 3.4Å; R1448-R1452 WeakPolarHBondContact O-CG 3.49Å; R1448-R1452 PolarHBondContact O-N 3.12Å; R1448-N1546 HydrophobicContact CB-CB 4.09Å; R1448-N1546 HydrophobicContact CG-CB 4.49Å; R1448-N1546 PolarHBondContact NE-OD1 3.23Å; R1448-N1546 PolarHBondContact NH2-OD1 3.27Å
1449V88.6Confident87Confident7 Ų739.6 Ų39.64%0.04218%0.18CC..Hα-helixtrans-62.2-52.3179.3173.40000110.3I1386 E1390 R1445 L1446 G1451 E1453 V1454I1386-V1449 HydrophobicContact CG2-CG2 4.39Å; E1390-V1449 HydrophobicContact CG-CG1 4.25Å; R1445-V1449 PolarHBondContact O-N 2.73Å; R1445-V1449 VanDerWaalsContact O-N 3.12Å; L1446-V1449 PolarHBondContact O-N 3Å; V1449-G1451 VanDerWaalsContact C-N 3.35Å; V1449-G1451 PolarHBondContact O-N 2.75Å; V1449-E1453 WeakPolarHBondContact O-CB 3.43Å; V1449-E1453 PolarHBondContact O-N 3.13Å; V1449-V1454 HydrophobicContact CG1-CG2 4.45Å; V1449-V1454 PolarHBondContact O-N 2.93Å
1450Y90.4Very high87.2Confident0 Ų042.2 Ų42.20%020%0.197CC..Iπ-helixtrans-66.8-36.5-179.9-74.8-88.4000113L1385 G1389 L1392 V1417 F1418 L1421 L1446 V1454 A1455L1385-Y1450 VanDerWaalsContact O-CE2 3.27Å; L1385-Y1450 WeakPolarHBondContact O-CE2 3.44Å; L1385-Y1450 PolarHBondContact O-OH 3.35Å; G1389-Y1450 VanDerWaalsContact CA-OH 3.22Å; G1389-Y1450 WeakPolarHBondContact CA-OH 3Å; G1389-Y1450 PolarHBondContact N-OH 3.18Å; G1389-Y1450 VanDerWaalsContact N-OH 3.08Å; L1392-Y1450 HydrophobicContact CD2-CE1 4.48Å; V1417-Y1450 HydrophobicContact CG1-CE1 3.48Å; V1417-Y1450 VanDerWaalsContact CG1-CE1 3.48Å; V1417-Y1450 WeakPolarHBondContact CG1-OH 3.3Å; F1418-Y1450 HydrophobicContact CE1-CD1 4.28Å; F1418-Y1450 HydrophobicContact CZ-CD1 4.15Å; L1421-Y1450 HydrophobicContact CD1-CD1 3.41Å; L1421-Y1450 VanDerWaalsContact CD1-CD1 3.41Å; L1421-Y1450 HydrophobicContact CD1-CD2 3.82Å; L1421-Y1450 HydrophobicContact CD1-CE1 3.65Å; L1421-Y1450 HydrophobicContact CD1-CE2 4.05Å; L1421-Y1450 HydrophobicContact CD1-CG 3.49Å; L1421-Y1450 VanDerWaalsContact CD1-CG 3.49Å; L1421-Y1450 HydrophobicContact CD2-CD2 4.45Å; L1421-Y1450 HydrophobicContact CD2-CE2 4.35Å; L1446-Y1450 HydrophobicContact CD1-CD2 3.82Å; L1446-Y1450 HydrophobicContact CD1-CE2 3.51Å; L1446-Y1450 HydrophobicContact CG-CD2 4.46Å; L1446-Y1450 WeakPolarHBondContact O-CD2 3.3Å; L1446-Y1450 PolarHBondContact O-N 2.98Å; Y1450-V1454 HydrophobicContact CD1-CB 3.85Å; Y1450-V1454 HydrophobicContact CD1-CG1 3.96Å; Y1450-V1454 HydrophobicContact CD1-CG2 3.66Å; Y1450-V1454 HydrophobicContact CE1-CB 4.46Å; Y1450-V1454 HydrophobicContact CE1-CG1 4.28Å; Y1450-V1454 HydrophobicContact CE1-CG2 3.96Å; Y1450-V1454 HydrophobicContact CG-CB 4.48Å; Y1450-V1454 HydrophobicContact CG-CG2 4.16Å; Y1450-A1455 WeakPolarHBondContact O-CB 3.34Å; Y1450-A1455 PolarHBondContact O-N 3.05Å
1451G85.9Confident87.2Confident1 Ų141.8 Ų41.81%0.0119%0.194CC..Iπ-helixtrans-79.3-20-178.500000116V1447 R1448 V1449 K1548V1447-G1451 WeakPolarHBondContact O-CA 3.31Å; V1447-G1451 PolarHBondContact O-N 3.41Å; R1448-G1451 PolarHBondContact O-N 3.03Å; V1449-G1451 VanDerWaalsContact C-N 3.35Å; V1449-G1451 PolarHBondContact O-N 2.75Å; G1451-K1548 PolarHBondContact O-N 3.22Å
1452R86.3Confident87.2Confident113 Ų11336.6 Ų36.643%0.42616%0.162SC..Iπ-helixtrans-114.5-23180-60-165.3173.1-168.1-4.2114.8R1448 P1456 R1545 N1546R1448-R1452 HydrophobicContact CG-CG 4.24Å; R1448-R1452 VanDerWaalsContact O-CB 3.32Å; R1448-R1452 WeakPolarHBondContact O-CB 3.4Å; R1448-R1452 WeakPolarHBondContact O-CG 3.49Å; R1448-R1452 PolarHBondContact O-N 3.12Å; R1452-P1456 WeakPolarHBondContact O-CG 3.4Å; R1452-R1545 PolarHBondContact NH2-O 3.12Å; R1452-N1546 WeakPolarHBondContact CG-O 3.34Å
1453E85.5Confident86.9Confident72 Ų7237.6 Ų37.634%0.33617%0.172SC..Iπ-helixtrans-118.5-57.6-172.2-61.4162.3-137.900111.3A1393 V1449 R1457A1393-E1453 HydrophobicContact CB-CB 4.34Å; V1449-E1453 WeakPolarHBondContact O-CB 3.43Å; V1449-E1453 PolarHBondContact O-N 3.13Å; E1453-R1457 WeakPolarHBondContact O-CB 3.17Å; E1453-R1457 WeakPolarHBondContact O-CG 3.02Å; E1453-R1457 PolarHBondContact O-N 3.24Å
1454V88.7Confident86.6Confident0 Ų039.3 Ų39.30%018%0.179CC..Iπ-helixtrans-65.4-55.4-175.2-175.60000111.9G1389 L1392 A1393 L1396 F1418 V1449 Y1450 R1457 A1458G1389-V1454 VanDerWaalsContact O-CG2 3.31Å; G1389-V1454 WeakPolarHBondContact O-CG2 3.4Å; L1392-V1454 HydrophobicContact CD2-CG1 3.76Å; L1392-V1454 HydrophobicContact CG-CG1 4Å; A1393-V1454 HydrophobicContact CB-CG2 4.07Å; L1396-V1454 HydrophobicContact CD1-CG1 3.83Å; F1418-V1454 HydrophobicContact CE2-CG1 3.9Å; F1418-V1454 HydrophobicContact CZ-CB 4.43Å; F1418-V1454 HydrophobicContact CZ-CG1 3.93Å; V1449-V1454 HydrophobicContact CG1-CG2 4.45Å; V1449-V1454 PolarHBondContact O-N 2.93Å; Y1450-V1454 HydrophobicContact CD1-CB 3.85Å; Y1450-V1454 HydrophobicContact CD1-CG1 3.96Å; Y1450-V1454 HydrophobicContact CD1-CG2 3.66Å; Y1450-V1454 HydrophobicContact CE1-CB 4.46Å; Y1450-V1454 HydrophobicContact CE1-CG1 4.28Å; Y1450-V1454 HydrophobicContact CE1-CG2 3.96Å; Y1450-V1454 HydrophobicContact CG-CB 4.48Å; Y1450-V1454 HydrophobicContact CG-CG2 4.16Å; V1454-R1457 PolarHBondContact O-N 3.2Å; V1454-A1458 PolarHBondContact O-N 3.41Å; V1454-A1458 VanDerWaalsContact O-N 3.09Å
1455A88.1Confident86.1Confident4 Ų436.8 Ų36.83%0.03317%0.167CC..Hα-helixtrans-62.7-46-175.500000112.8F1418 Y1450 R1457 A1458 Y1459 I1525F1418-A1455 HydrophobicContact CZ-CB 4.17Å; Y1450-A1455 WeakPolarHBondContact O-CB 3.34Å; Y1450-A1455 PolarHBondContact O-N 3.05Å; A1455-R1457 PolarHBondContact O-N 3.48Å; A1455-A1458 WeakPolarHBondContact O-CB 3.25Å; A1455-A1458 PolarHBondContact O-N 3.19Å; A1455-Y1459 WeakPolarHBondContact O-CD2 3.4Å; A1455-Y1459 PolarHBondContact O-N 3.22Å; A1455-I1525 HydrophobicContact CB-CG2 4.49Å
1456P87.2Confident85.5Confident41 Ų4136 Ų3627%0.26617%0.17SC..Hα-helixtrans-60.9-40.4175.8-27.739.1000114R1452 A1458 Y1459 V1460R1452-P1456 WeakPolarHBondContact O-CG 3.4Å; P1456-A1458 VanDerWaalsContact C-N 3.31Å; P1456-A1458 PolarHBondContact O-N 2.96Å; P1456-Y1459 PolarHBondContact O-N 3.09Å; P1456-V1460 PolarHBondContact O-N 3.44Å; P1456-V1460 VanDerWaalsContact O-N 3.16Å
1457R86.7Confident84.8Confident66 Ų6640.4 Ų40.425%0.24919%0.193CC..Hα-helixtrans-64.1-34.4176.6-69.7178.7-169.6-159.44.5112.1A1393 Q1394 L1396 E1453 V1454 A1455 V1460 L1461A1393-R1457 WeakPolarHBondContact O-CD 3.49Å; A1393-R1457 PolarHBondContact O-NH1 3.5Å; Q1394-R1457 VanDerWaalsContact OE1-NH1 3.14Å; L1396-R1457 HydrophobicContact CB-CB 4.01Å; E1453-R1457 WeakPolarHBondContact O-CB 3.17Å; E1453-R1457 WeakPolarHBondContact O-CG 3.02Å; E1453-R1457 PolarHBondContact O-N 3.24Å; V1454-R1457 PolarHBondContact O-N 3.2Å; A1455-R1457 PolarHBondContact O-N 3.48Å; R1457-V1460 PolarHBondContact O-N 3.19Å; R1457-L1461 PolarHBondContact O-N 3.39Å
1458A86.4Confident83.9Confident1 Ų141 Ų411%0.00820%0.197CC..Hα-helixtrans-60.9-43.917200000113L1396 V1454 A1455 P1456 V1460 L1461 F1462L1396-A1458 HydrophobicContact CD1-CB 4.09Å; L1396-A1458 HydrophobicContact CD2-CB 4.41Å; V1454-A1458 PolarHBondContact O-N 3.41Å; V1454-A1458 VanDerWaalsContact O-N 3.09Å; A1455-A1458 WeakPolarHBondContact O-CB 3.25Å; A1455-A1458 PolarHBondContact O-N 3.19Å; P1456-A1458 VanDerWaalsContact C-N 3.31Å; P1456-A1458 PolarHBondContact O-N 2.96Å; A1458-V1460 VanDerWaalsContact C-N 3.32Å; A1458-V1460 PolarHBondContact O-N 3.05Å; A1458-L1461 PolarHBondContact O-N 3.14Å; A1458-F1462 HydrophobicContact CB-CE2 4.47Å; A1458-F1462 HydrophobicContact CB-CZ 4.09Å; A1458-F1462 WeakPolarHBondContact O-CD1 3.44Å; A1458-F1462 WeakPolarHBondContact O-CD2 3.12Å; A1458-F1462 VanDerWaalsContact O-CG 3.23Å; A1458-F1462 WeakPolarHBondContact O-CG 3.28Å; A1458-F1462 PolarHBondContact O-N 2.99Å
1459Y85.5Confident82.8Confident38 Ų3838.2 Ų38.215%0.14919%0.189CC..Hα-helixtrans-65.9-33.1176.5-69.5-73.7000113.2A1455 P1456 F1462 S1463 S1550 A1552A1455-Y1459 WeakPolarHBondContact O-CD2 3.4Å; A1455-Y1459 PolarHBondContact O-N 3.22Å; P1456-Y1459 PolarHBondContact O-N 3.09Å; Y1459-F1462 AromaticContact CD1-CD2 3.83Å; Y1459-F1462 HydrophobicContact CD1-CD2 3.83Å; Y1459-F1462 AromaticContact CD1-CE2 3.89Å; Y1459-F1462 HydrophobicContact CD1-CE2 3.89Å; Y1459-F1462 HydrophobicContact CE1-CD2 4.41Å; Y1459-F1462 HydrophobicContact CE1-CE2 4.12Å; Y1459-F1462 HydrophobicContact CG-CD2 4.43Å; Y1459-F1462 HydrophobicContact CG-CE2 4.42Å; Y1459-S1463 PolarHBondContact O-N 3.09Å; Y1459-S1463 PolarHBondContact O-OG 2.86Å; Y1459-S1550 WeakPolarHBondContact CD1-OG 3.19Å; Y1459-S1550 VanDerWaalsContact CD2-OG 3.29Å; Y1459-S1550 WeakPolarHBondContact CD2-OG 3.48Å; Y1459-S1550 VanDerWaalsContact CG-OG 3.29Å; Y1459-A1552 HydrophobicContact CD1-CB 4.28Å
1460V84.9Confident81.7Confident72 Ų7239.8 Ų39.844%0.43620%0.2SC..Hα-helixtrans-65.2-45171.21730000110.7V1296 P1456 R1457 A1458 F1462 S1463 Y1464V1296-V1460 HydrophobicContact CG1-CG1 3.89Å; P1456-V1460 PolarHBondContact O-N 3.44Å; P1456-V1460 VanDerWaalsContact O-N 3.16Å; R1457-V1460 PolarHBondContact O-N 3.19Å; A1458-V1460 VanDerWaalsContact C-N 3.32Å; A1458-V1460 PolarHBondContact O-N 3.05Å; V1460-F1462 PolarHBondContact O-N 3.46Å; V1460-S1463 WeakPolarHBondContact O-CB 3.39Å; V1460-S1463 PolarHBondContact O-N 2.81Å; V1460-Y1464 PolarHBondContact O-N 2.9Å; V1460-Y1464 VanDerWaalsContact O-N 3.09Å
1461L84Confident80.4Confident0 Ų045.5 Ų45.50%023%0.227CC..Hα-helixtrans-61.6-39.8176.8-17764.2000112.7V1296 L1396 L1410 R1457 A1458 S1463 Y1464 I1465V1296-L1461 HydrophobicContact CG2-CD1 4.21Å; L1396-L1461 HydrophobicContact CD2-CD2 3.6Å; L1410-L1461 HydrophobicContact CD2-CD2 4Å; R1457-L1461 PolarHBondContact O-N 3.39Å; A1458-L1461 PolarHBondContact O-N 3.14Å; L1461-S1463 VanDerWaalsContact C-N 3.28Å; L1461-S1463 PolarHBondContact O-N 3.11Å; L1461-Y1464 HydrophobicContact CD1-CD1 4.1Å; L1461-Y1464 PolarHBondContact O-N 3.13Å; L1461-I1465 HydrophobicContact CG-CD1 4.04Å; L1461-I1465 WeakPolarHBondContact O-CG1 3.27Å; L1461-I1465 PolarHBondContact O-N 2.9Å
1462F84.5Confident79Confident10 Ų1051.1 Ų51.14%0.04425%0.251CS..Hα-helixtrans-58.6-42174.7-55.9-28.1000111.9L1411 A1458 Y1459 V1460 Y1464 I1465 Q1466 I1518 L1521 I1522L1411-F1462 HydrophobicContact CD2-CD1 4.33Å; L1411-F1462 HydrophobicContact CD2-CE1 3.77Å; A1458-F1462 HydrophobicContact CB-CE2 4.47Å; A1458-F1462 HydrophobicContact CB-CZ 4.09Å; A1458-F1462 WeakPolarHBondContact O-CD1 3.44Å; A1458-F1462 WeakPolarHBondContact O-CD2 3.12Å; A1458-F1462 VanDerWaalsContact O-CG 3.23Å; A1458-F1462 WeakPolarHBondContact O-CG 3.28Å; A1458-F1462 PolarHBondContact O-N 2.99Å; Y1459-F1462 AromaticContact CD1-CD2 3.83Å; Y1459-F1462 HydrophobicContact CD1-CD2 3.83Å; Y1459-F1462 AromaticContact CD1-CE2 3.89Å; Y1459-F1462 HydrophobicContact CD1-CE2 3.89Å; Y1459-F1462 HydrophobicContact CE1-CD2 4.41Å; Y1459-F1462 HydrophobicContact CE1-CE2 4.12Å; Y1459-F1462 HydrophobicContact CG-CD2 4.43Å; Y1459-F1462 HydrophobicContact CG-CE2 4.42Å; V1460-F1462 PolarHBondContact O-N 3.46Å; F1462-Y1464 VanDerWaalsContact C-N 3.33Å; F1462-Y1464 PolarHBondContact O-N 2.8Å; F1462-I1465 PolarHBondContact O-N 3.36Å; F1462-Q1466 VanDerWaalsContact O-CG 3.29Å; F1462-Q1466 WeakPolarHBondContact O-CG 3.47Å; F1462-Q1466 PolarHBondContact O-N 3.23Å; F1462-Q1466 VanDerWaalsContact O-N 3.07Å; F1462-I1518 HydrophobicContact CD1-CG1 4.24Å; F1462-I1518 HydrophobicContact CD1-CG2 3.97Å; F1462-I1518 HydrophobicContact CD2-CG2 4.43Å; F1462-I1518 HydrophobicContact CE1-CG2 4.23Å; F1462-I1518 HydrophobicContact CG-CG2 4.1Å; F1462-L1521 HydrophobicContact CE1-CD2 3.85Å; F1462-L1521 HydrophobicContact CE1-CG 4.43Å; F1462-L1521 HydrophobicContact CZ-CB 4.43Å; F1462-L1521 HydrophobicContact CZ-CD2 3.78Å; F1462-L1521 HydrophobicContact CZ-CG 3.94Å; F1462-I1522 HydrophobicContact CD2-CD1 4.23Å; F1462-I1522 HydrophobicContact CD2-CG1 4.27Å; F1462-I1522 HydrophobicContact CE2-CD1 3.98Å; F1462-I1522 HydrophobicContact CE2-CG1 3.52Å; F1462-I1522 HydrophobicContact CZ-CG1 3.97Å
1463S79.4Confident77.7Confident58 Ų5850.3 Ų50.341%0.40625%0.254SS..Hα-helixtrans-63.8-39.6177.8-52.20000111.5Y1459 V1460 L1461 N1467Y1459-S1463 PolarHBondContact O-N 3.09Å; Y1459-S1463 PolarHBondContact O-OG 2.86Å; V1460-S1463 WeakPolarHBondContact O-CB 3.39Å; V1460-S1463 PolarHBondContact O-N 2.81Å; L1461-S1463 VanDerWaalsContact C-N 3.28Å; L1461-S1463 PolarHBondContact O-N 3.11Å; S1463-N1467 WeakPolarHBondContact O-CB 3.39Å; S1463-N1467 PolarHBondContact O-N 3.09Å; S1463-N1467 PolarHBondContact O-ND2 3.06Å
1464Y81.8Confident76.2Confident36 Ų3652.2 Ų52.214%0.14126%0.261CS..Hα-helixtrans-66.9-41.5176.6170.2-98.5000113.4V1296 V1299 L1400 A1402 V1460 L1461 F1462 N1467 S1468V1296-Y1464 VanDerWaalsContact CG1-CB 3.43Å; V1296-Y1464 HydrophobicContact CG1-CD1 4.33Å; V1296-Y1464 HydrophobicContact CG1-CD2 4.06Å; V1296-Y1464 HydrophobicContact CG1-CG 3.69Å; V1296-Y1464 HydrophobicContact CG2-CD1 4.43Å; V1296-Y1464 HydrophobicContact CG2-CG 4.48Å; V1299-Y1464 HydrophobicContact CG1-CE2 4.22Å; V1299-Y1464 HydrophobicContact CG2-CD2 4.38Å; V1299-Y1464 HydrophobicContact CG2-CE2 4.11Å; L1400-Y1464 WeakPolarHBondContact O-CE1 3.47Å; L1400-Y1464 PolarHBondContact O-OH 3.35Å; A1402-Y1464 HydrophobicContact CB-CE1 3.89Å; V1460-Y1464 PolarHBondContact O-N 2.9Å; V1460-Y1464 VanDerWaalsContact O-N 3.09Å; L1461-Y1464 HydrophobicContact CD1-CD1 4.1Å; L1461-Y1464 PolarHBondContact O-N 3.13Å; F1462-Y1464 VanDerWaalsContact C-N 3.33Å; F1462-Y1464 PolarHBondContact O-N 2.8Å; Y1464-N1467 PolarHBondContact O-N 3.42Å; Y1464-S1468 VanDerWaalsContact O-CB 3.32Å; Y1464-S1468 WeakPolarHBondContact O-CB 3.46Å; Y1464-S1468 PolarHBondContact O-N 3.31Å; Y1464-S1468 PolarHBondContact O-OG 2.87Å
1465I77.3Confident74.5Confident8 Ų853.6 Ų53.64%0.04128%0.275CS..Hα-helixtrans-60.4-50.9175.2-65.9161.7000109.7I1407 L1461 F1462 N1467 S1468 E1469 I1518I1407-I1465 HydrophobicContact CD1-CG1 4.4Å; I1407-I1465 HydrophobicContact CG2-CD1 3.55Å; I1407-I1465 HydrophobicContact CG2-CG1 4.07Å; L1461-I1465 HydrophobicContact CG-CD1 4.04Å; L1461-I1465 WeakPolarHBondContact O-CG1 3.27Å; L1461-I1465 PolarHBondContact O-N 2.9Å; F1462-I1465 PolarHBondContact O-N 3.36Å; I1465-N1467 PolarHBondContact O-N 3.36Å; I1465-S1468 PolarHBondContact O-N 3.26Å; I1465-E1469 WeakPolarHBondContact CG2-OE1 3.21Å; I1465-E1469 WeakPolarHBondContact O-CG 3.27Å; I1465-E1469 PolarHBondContact O-N 3.26Å; I1465-I1518 HydrophobicContact CD1-CD1 4.4Å; I1465-I1518 HydrophobicContact CG2-CD1 4.26Å
1466Q75.8Confident72.7Confident114 Ų11458.8 Ų58.853%0.53330%0.302SS..Hα-helixtrans-58.8-44.1179-71.9171.2-15.300112.5F1462 E1469 S1470F1462-Q1466 VanDerWaalsContact O-CG 3.29Å; F1462-Q1466 WeakPolarHBondContact O-CG 3.47Å; F1462-Q1466 PolarHBondContact O-N 3.23Å; F1462-Q1466 VanDerWaalsContact O-N 3.07Å; Q1466-E1469 PolarHBondContact O-N 3.32Å; Q1466-S1470 WeakPolarHBondContact O-CB 3.15Å; Q1466-S1470 PolarHBondContact O-N 2.89Å
1467N75Confident70.9Confident91 Ų9162.4 Ų62.449%0.48732%0.315SS..Hα-helixtrans-62.3-49.3176.3-72.1-13.5000111.5S1463 Y1464 I1465 E1469 S1470 E1471S1463-N1467 WeakPolarHBondContact O-CB 3.39Å; S1463-N1467 PolarHBondContact O-N 3.09Å; S1463-N1467 PolarHBondContact O-ND2 3.06Å; Y1464-N1467 PolarHBondContact O-N 3.42Å; I1465-N1467 PolarHBondContact O-N 3.36Å; N1467-E1469 VanDerWaalsContact C-N 3.27Å; N1467-E1469 PolarHBondContact O-N 3.11Å; N1467-S1470 WeakPolarHBondContact O-CB 3.48Å; N1467-S1470 PolarHBondContact O-N 3.29Å; N1467-S1470 PolarHBondContact O-OG 3.03Å; N1467-E1471 PolarHBondContact O-N 2.87Å
1468S70.6Confident68.8Low12 Ų1264.7 Ų64.78%0.08433%0.329CS..Hα-helixtrans-61.6-31.7-179.2-59.70000113.5Y1464 I1465 K1472Y1464-S1468 VanDerWaalsContact O-CB 3.32Å; Y1464-S1468 WeakPolarHBondContact O-CB 3.46Å; Y1464-S1468 PolarHBondContact O-N 3.31Å; Y1464-S1468 PolarHBondContact O-OG 2.87Å; I1465-S1468 PolarHBondContact O-N 3.26Å; S1468-K1472 WeakPolarHBondContact O-CD 3.2Å; S1468-K1472 WeakPolarHBondContact O-CG 3.44Å
1469E67Low66.8Low58 Ų5870.2 Ų70.227%0.27136%0.358SS..Hα-helixtrans-72.9-43.7170.9-73174.9-165.100111.5I1465 Q1466 N1467 E1471 K1472 I1473I1465-E1469 WeakPolarHBondContact CG2-OE1 3.21Å; I1465-E1469 WeakPolarHBondContact O-CG 3.27Å; I1465-E1469 PolarHBondContact O-N 3.26Å; Q1466-E1469 PolarHBondContact O-N 3.32Å; N1467-E1469 VanDerWaalsContact C-N 3.27Å; N1467-E1469 PolarHBondContact O-N 3.11Å; E1469-E1471 VanDerWaalsContact C-N 3.33Å; E1469-E1471 PolarHBondContact O-N 3.31Å; E1469-K1472 PolarHBondContact O-N 3.2Å; E1469-I1473 WeakPolarHBondContact O-CG1 3.44Å; E1469-I1473 PolarHBondContact O-N 3.48Å
1470S65.5Low64.7Low40 Ų4076 Ų7628%0.2838%0.384SS..Hα-helixtrans-60.9-39-179.285.40000113Q1466 N1467 I1473 K1474Q1466-S1470 WeakPolarHBondContact O-CB 3.15Å; Q1466-S1470 PolarHBondContact O-N 2.89Å; N1467-S1470 WeakPolarHBondContact O-CB 3.48Å; N1467-S1470 PolarHBondContact O-N 3.29Å; N1467-S1470 PolarHBondContact O-OG 3.03Å; S1470-I1473 PolarHBondContact O-N 3.27Å; S1470-K1474 WeakPolarHBondContact O-CG 3.48Å; S1470-K1474 PolarHBondContact O-N 2.88Å
1471E61.6Low62.4Low121 Ų12178.8 Ų78.857%0.56540%0.397SS*.Hα-helixtrans-63.5-41.8176.5-71.8172.2-175.400111.6N1467 E1469 I1473 K1474 G1475N1467-E1471 PolarHBondContact O-N 2.87Å; E1469-E1471 VanDerWaalsContact C-N 3.33Å; E1469-E1471 PolarHBondContact O-N 3.31Å; E1471-I1473 VanDerWaalsContact C-N 3.29Å; E1471-I1473 PolarHBondContact O-N 3.42Å; E1471-K1474 PolarHBondContact O-N 3.42Å; E1471-G1475 PolarHBondContact O-N 3.04Å
1472K58.5Low60.4Low118 Ų11885.5 Ų85.551%0.51343%0.432SS..Hα-helixtrans-70.5-27.7178.8-70.1172.9-176178.20112.2A1402 S1468 E1469 L1476A1402-K1472 PolarHBondContact O-NZ 2.82Å; S1468-K1472 WeakPolarHBondContact O-CD 3.2Å; S1468-K1472 WeakPolarHBondContact O-CG 3.44Å; E1469-K1472 PolarHBondContact O-N 3.2Å; K1472-L1476 WeakPolarHBondContact O-CD1 3.42Å; K1472-L1476 WeakPolarHBondContact O-CG 3.27Å
1473I59Low58Low96 Ų9694 Ų9449%0.49247%0.469SS..Hα-helixtrans-72.7-47.1170.5-66.4164.5000110.6E1469 S1470 E1471 L1476 Q1477E1469-I1473 WeakPolarHBondContact O-CG1 3.44Å; E1469-I1473 PolarHBondContact O-N 3.48Å; S1470-I1473 PolarHBondContact O-N 3.27Å; E1471-I1473 VanDerWaalsContact C-N 3.29Å; E1471-I1473 PolarHBondContact O-N 3.42Å; I1473-L1476 PolarHBondContact O-N 3.32Å; I1473-Q1477 WeakPolarHBondContact O-CG 3.32Å; I1473-Q1477 PolarHBondContact O-N 2.96Å
1474K53.4Low55.7Low113 Ų113100.6 Ų100.649%0.49149%0.49SS..Hα-helixtrans-59.4-49.4177.9-73.6169.4-179.7172.90112.3S1470 E1471 L1476 Q1477 E1478S1470-K1474 WeakPolarHBondContact O-CG 3.48Å; S1470-K1474 PolarHBondContact O-N 2.88Å; E1471-K1474 PolarHBondContact O-N 3.42Å; K1474-L1476 PolarHBondContact O-N 3.38Å; K1474-L1476 VanDerWaalsContact O-N 3.13Å; K1474-Q1477 WeakPolarHBondContact O-CA 3.5Å; K1474-Q1477 PolarHBondContact O-N 3.31Å; K1474-E1478 PolarHBondContact O-N 2.93Å
1475G52.3Low53.2Low28 Ų28108.9 Ų108.929%0.28953%0.527SS..Hα-helixtrans-61-23.617800000114.3E1471 N1479E1471-G1475 PolarHBondContact O-N 3.04Å; G1475-N1479 PolarHBondContact O-ND2 3.29Å
1476L50.9Low50.8Low114 Ų114113.2 Ų113.260%0.59756%0.558SS**Hα-helixtrans-84.3-15.2172.6-75.2171.6000114K1472 I1473 K1474K1472-L1476 WeakPolarHBondContact O-CD1 3.42Å; K1472-L1476 WeakPolarHBondContact O-CG 3.27Å; I1473-L1476 PolarHBondContact O-N 3.32Å; K1474-L1476 PolarHBondContact O-N 3.38Å; K1474-L1476 VanDerWaalsContact O-N 3.13Å
1477Q48.5Very low48.7Very low116 Ų116115.4 Ų115.454%0.54257%0.573SS.*Hα-helixtrans-94.6-43.5175.6-68.1-180-100111.8I1473 K1474 N1479 K1480 N1481I1473-Q1477 WeakPolarHBondContact O-CG 3.32Å; I1473-Q1477 PolarHBondContact O-N 2.96Å; K1474-Q1477 WeakPolarHBondContact O-CA 3.5Å; K1474-Q1477 PolarHBondContact O-N 3.31Å; Q1477-N1479 VanDerWaalsContact C-N 3.32Å; Q1477-N1479 PolarHBondContact O-N 2.97Å; Q1477-K1480 WeakPolarHBondContact O-CB 3.28Å; Q1477-K1480 PolarHBondContact O-N 3.31Å; Q1477-N1481 PolarHBondContact O-N 3.49Å
1478E43.1Very low46.7Very low114 Ų114119.8 Ų119.853%0.53359%0.591SS.*Hα-helixtrans-60.9-40.4179.1-71.2164.7-175.600111.9K1474 K1480 N1481 L1482K1474-E1478 PolarHBondContact O-N 2.93Å; E1478-K1480 PolarHBondContact O-N 3.13Å; E1478-K1480 VanDerWaalsContact O-N 3.07Å; E1478-N1481 PolarHBondContact O-N 3.07Å; E1478-L1482 WeakPolarHBondContact O-CG 3.49Å; E1478-L1482 PolarHBondContact O-N 2.86Å
1479N44.1Very low44.7Very low118 Ų118128 Ų12863%0.63163%0.625SS**Hα-helixtrans-63-10.5172.9-86.1-69.5000114.8G1475 Q1477G1475-N1479 PolarHBondContact O-ND2 3.29Å; Q1477-N1479 VanDerWaalsContact C-N 3.32Å; Q1477-N1479 PolarHBondContact O-N 2.97Å
1480K41.9Very low43.2Very low158 Ų158131.5 Ų131.569%0.68765%0.645SS**Hα-helixtrans-93.4-31169.3-67.8-179176.1179.50112.7Q1477 E1478Q1477-K1480 WeakPolarHBondContact O-CB 3.28Å; Q1477-K1480 PolarHBondContact O-N 3.31Å; E1478-K1480 PolarHBondContact O-N 3.13Å; E1478-K1480 VanDerWaalsContact O-N 3.07Å
1481N35.9Very low41.7Very low131 Ų131136.5 Ų136.570%0.70167%0.669SS**Hα-helixtrans-82.1-24.5-178.1-68.1-12.6000112.9Q1477 E1478 K1483Q1477-N1481 PolarHBondContact O-N 3.49Å; E1478-N1481 PolarHBondContact O-N 3.07Å; N1481-K1483 PolarHBondContact O-N 3.07Å
1482L43.4Very low40.4Very low142 Ų142137 Ų13774%0.74369%0.685SS**THydrogen-bonded Turntrans-72.4-1.2177.3-72.8165000115.1E1478E1478-L1482 WeakPolarHBondContact O-CG 3.49Å; E1478-L1482 PolarHBondContact O-N 2.86Å
1483K32.4Very low39.2Very low187 Ų187140.2 Ų140.281%0.81370%0.701SS**THydrogen-bonded Turntrans-101.730.7-180-80.7-165.8169.8-171.70114.9N1481N1481-K1483 PolarHBondContact O-N 3.07Å
1484K31.9Very low38.1Very low198 Ų198140 Ų14086%0.86171%0.707SS**SBendtrans-133.435.4-176.6-147.1-179.8-176.8-175.50114.9
1485K28.4Very low36.9Very low209 Ų209144.3 Ų144.391%0.90973%0.725SS**SBendtrans-147.245.6178.2-145.6176.3-173.7-177.90115
1486S28.2Very low35.7Very low99 Ų99153.1 Ų153.169%0.69276%0.756SS**  trans-154.9111.2168.559.10000111
1487N30.9Very low34.6Very low160 Ų160153.6 Ų153.686%0.85677%0.768SS**  166.7148.1125.4-87.519.3000110.3
1488E32.5Very low33.7Very low184 Ų184158.1 Ų158.186%0.8679%0.786SS**  trans-78.9164.2171.3-70.6153.6106.800111.6
1489K30.1Very low33.1Very low184 Ų184158.3 Ų158.380%0.880%0.801SS**  trans-14.2141.6134.1-78.1-174.5177.6-1700115.1
1490D35Very low32.5Very low131 Ų131160 Ų16070%0.70182%0.815SS**  cis-145.8160.919.8-76.1-53.6000113.5
1491D33.7Very low32.1Very low145 Ų145155.9 Ų155.978%0.77582%0.818SS**  trans26.8108.3148.7-58.9-13.8000122.3
1492C34Very low32Very low133 Ų133153.3 Ų153.390%0.89982%0.822SS**  -176.2151.5108.7-93.20000113.4
1493E33.5Very low32.2Very low184 Ų184152.6 Ų152.686%0.8682%0.818SS**  trans-89.5-175.3-177.6-50.3-165.1127.100114.1
1494P35.9Very low32.8Very low93 Ų93146.9 Ų146.960%0.60480%0.801SS**  cis-129.9175-38.4210.1000112.8
1495K28.3Very low33.3Very low202 Ų202142.5 Ų142.588%0.87878%0.784SS**  trans144.3147.7132.7-76.3158.8-172.6171.20114.5
1496K26.9Very low34.3Very low213 Ų213134.9 Ų134.993%0.92676%0.76SS**  trans-88.6136-172.9-59.3168.1-179.6172.40112.3
1497S28.9Very low35.4Very low124 Ų124134.6 Ų134.687%0.86775%0.75SS**  trans-151.1151.7153.166.30000111.5
1498K29.8Very low36.1Very low211 Ų211131.1 Ų131.192%0.91773%0.73SS**  trans-99.8135.2-165.2-61.8174.3178.1177.80112.8
1499S29.9Very low37.1Very low119 Ų119125.4 Ų125.483%0.83271%0.711SS**  trans-161.288.2154.762.50000113.7
1500T32.1Very low38.2Very low152 Ų152124 Ų12493%0.93370%0.7SS**  trans-98.8105.4170.9-50.20000109.6
1501G31.9Very low38.8Very low72 Ų72121.2 Ų121.274%0.74269%0.691SS**PPolyproline II helixtrans-82.1130.2-178.800000113.3
1502G35Very low39.6Very low77 Ų77118.3 Ų118.379%0.79468%0.675SS**PPolyproline II helixtrans-83.5172.7-177.100000115.7
1503I46Very low40.4Very low128 Ų128118.3 Ų118.366%0.65666%0.66SS**PPolyproline II helixtrans-63.6142.1175.3-62165.2000109.9Q1505 I1508I1503-Q1505 PolarHBondContact O-N 2.7Å; I1503-I1508 HydrophobicContact CG2-CD1 4.45Å; I1503-I1508 HydrophobicContact CG2-CG1 4.35Å
1504S45Very low41.3Very low66 Ų66110.9 Ų110.946%0.46263%0.626SS.*PPolyproline II helixtrans-71.3129.5-179.167.50000111.6A1506 L1507S1504-A1506 PolarHBondContact O-N 3.1Å; S1504-L1507 PolarHBondContact O-N 3.21Å
1505Q44Very low42.1Very low107 Ų107110.1 Ų110.150%0.562%0.623SS.*Hα-helixtrans-57.1-24.6178.7-70.1-167.2-26.100113.3I1503 L1507 I1508 S1509 Q1692I1503-Q1505 PolarHBondContact O-N 2.7Å; Q1505-L1507 VanDerWaalsContact C-N 3.3Å; Q1505-L1507 PolarHBondContact O-N 3.04Å; Q1505-I1508 PolarHBondContact O-N 3.13Å; Q1505-S1509 WeakPolarHBondContact O-CB 3.47Å; Q1505-S1509 PolarHBondContact O-N 3.26Å; Q1505-S1509 PolarHBondContact O-OG 2.86Å; Q1505-Q1692 VanDerWaalsContact CD-CD 3.46Å; Q1505-Q1692 VanDerWaalsContact OE1-CG 3.26Å
1506A48.9Very low43.8Very low49 Ų49107.4 Ų107.441%0.40561%0.607SS.*Hα-helixtrans-59.5-36.5175.400000113.1S1504 S1509 R1510S1504-A1506 PolarHBondContact O-N 3.1Å; A1506-S1509 WeakPolarHBondContact CA-OG 3.42Å; A1506-S1509 PolarHBondContact O-OG 2.98Å; A1506-R1510 WeakPolarHBondContact O-CD 3.24Å; A1506-R1510 VanDerWaalsContact O-CG 3.32Å; A1506-R1510 WeakPolarHBondContact O-CG 3.39Å; A1506-R1510 PolarHBondContact O-N 3.13Å
1507L51.3Low46.1Very low93 Ų9398.5 Ų98.549%0.48757%0.569SS.*Hα-helixtrans-71.4-45.6175.4-71.8168.6000111.3S1504 Q1505 S1509 R1510 S1511S1504-L1507 PolarHBondContact O-N 3.21Å; Q1505-L1507 VanDerWaalsContact C-N 3.3Å; Q1505-L1507 PolarHBondContact O-N 3.04Å; L1507-S1509 VanDerWaalsContact C-N 3.34Å; L1507-S1509 PolarHBondContact O-N 2.9Å; L1507-R1510 PolarHBondContact O-N 2.84Å; L1507-R1510 VanDerWaalsContact O-N 3.11Å; L1507-S1511 PolarHBondContact O-N 2.71Å
1508I46.4Very low48.6Very low86 Ų8693.8 Ų93.844%0.44153%0.534SS..Hα-helixtrans-59.5-45.4178.5-56.7173.7000110.3I1503 Q1505 R1510 S1511 I1512I1503-I1508 HydrophobicContact CG2-CD1 4.45Å; I1503-I1508 HydrophobicContact CG2-CG1 4.35Å; Q1505-I1508 PolarHBondContact O-N 3.13Å; I1508-R1510 PolarHBondContact O-N 2.71Å; I1508-S1511 PolarHBondContact O-N 3.02Å; I1508-I1512 HydrophobicContact CG2-CD1 3.9Å; I1508-I1512 WeakPolarHBondContact O-CD1 3.3Å; I1508-I1512 VanDerWaalsContact O-CG1 3.3Å; I1508-I1512 WeakPolarHBondContact O-CG1 3.43Å; I1508-I1512 PolarHBondContact O-N 2.69Å
1509S51.8Low51.1Low64 Ų6487 Ų8745%0.44851%0.512SS..Hα-helixtrans-66.9-16178.771.40000115.1Q1505 A1506 L1507Q1505-S1509 WeakPolarHBondContact O-CB 3.47Å; Q1505-S1509 PolarHBondContact O-N 3.26Å; Q1505-S1509 PolarHBondContact O-OG 2.86Å; A1506-S1509 WeakPolarHBondContact CA-OG 3.42Å; A1506-S1509 PolarHBondContact O-OG 2.98Å; L1507-S1509 VanDerWaalsContact C-N 3.34Å; L1507-S1509 PolarHBondContact O-N 2.9Å
1510R53Low53.7Low154 Ų15486.1 Ų86.158%0.58149%0.494SS*.Hα-helixtrans-91.4-49.2175.9-75.4172.1-179.7175-1.9110.8A1506 L1507 I1508 I1512 K1513 D1514A1506-R1510 WeakPolarHBondContact O-CD 3.24Å; A1506-R1510 VanDerWaalsContact O-CG 3.32Å; A1506-R1510 WeakPolarHBondContact O-CG 3.39Å; A1506-R1510 PolarHBondContact O-N 3.13Å; L1507-R1510 PolarHBondContact O-N 2.84Å; L1507-R1510 VanDerWaalsContact O-N 3.11Å; I1508-R1510 PolarHBondContact O-N 2.71Å; R1510-I1512 PolarHBondContact O-N 2.99Å; R1510-K1513 WeakPolarHBondContact O-CA 3.32Å; R1510-K1513 WeakPolarHBondContact O-CB 3.47Å; R1510-K1513 PolarHBondContact O-N 3.06Å; R1510-D1514 PolarHBondContact O-N 3.1Å
1511S49.6Very low56.4Low73 Ų7378.9 Ų78.951%0.5145%0.45SS..Hα-helixtrans-46.1-39.7169.6174.40000112.9L1507 I1508 K1513 D1514 S1515L1507-S1511 PolarHBondContact O-N 2.71Å; I1508-S1511 PolarHBondContact O-N 3.02Å; S1511-K1513 VanDerWaalsContact C-N 3.34Å; S1511-K1513 PolarHBondContact O-N 2.95Å; S1511-D1514 PolarHBondContact N-OD2 2.78Å; S1511-D1514 PolarHBondContact O-N 3.23Å; S1511-S1515 WeakPolarHBondContact O-CB 3.41Å; S1511-S1515 PolarHBondContact O-N 3.08Å; S1511-S1515 PolarHBondContact O-OG 3.07Å
1512I49.4Very low59Low85 Ų8576.4 Ų76.444%0.43642%0.42SS..Hα-helixtrans-72.5-16.1177.3-67166.6000114.7I1508 R1510 S1515 R1516I1508-I1512 HydrophobicContact CG2-CD1 3.9Å; I1508-I1512 WeakPolarHBondContact O-CD1 3.3Å; I1508-I1512 VanDerWaalsContact O-CG1 3.3Å; I1508-I1512 WeakPolarHBondContact O-CG1 3.43Å; I1508-I1512 PolarHBondContact O-N 2.69Å; R1510-I1512 PolarHBondContact O-N 2.99Å; I1512-S1515 PolarHBondContact O-OG 2.92Å; I1512-R1516 WeakPolarHBondContact O-CD 3.16Å; I1512-R1516 WeakPolarHBondContact O-CG 3.41Å; I1512-R1516 PolarHBondContact O-NE 3.29Å
1513K51.2Low61.6Low132 Ų13279 Ų7957%0.57441%0.406SS*.Hα-helixtrans-92.5-43.4170.2-74.1-174.1166.4-159.40111.7R1510 S1511 S1515 R1516 L1517R1510-K1513 WeakPolarHBondContact O-CA 3.32Å; R1510-K1513 WeakPolarHBondContact O-CB 3.47Å; R1510-K1513 PolarHBondContact O-N 3.06Å; S1511-K1513 VanDerWaalsContact C-N 3.34Å; S1511-K1513 PolarHBondContact O-N 2.95Å; K1513-S1515 PolarHBondContact O-N 3.48Å; K1513-R1516 WeakPolarHBondContact O-CA 3.41Å; K1513-R1516 WeakPolarHBondContact O-CB 3.45Å; K1513-R1516 PolarHBondContact O-N 3.12Å; K1513-L1517 PolarHBondContact O-N 3.06Å
1514D51.1Low63.6Low28 Ų2872.9 Ų72.915%0.1538%0.375CS..Hα-helixtrans-64.4-36.3-178.2-49.2-27.7000108.8R1510 S1511 R1516R1510-D1514 PolarHBondContact O-N 3.1Å; S1511-D1514 PolarHBondContact N-OD2 2.78Å; S1511-D1514 PolarHBondContact O-N 3.23Å; D1514-R1516 PolarHBondContact O-N 3.13Å; D1514-R1516 VanDerWaalsContact O-N 3.08Å
1515S53.9Low65.7Low77 Ų7769.7 Ų69.754%0.53835%0.353SS..Hα-helixtrans-67.44.3168.1820000115.9S1511 I1512 K1513S1511-S1515 WeakPolarHBondContact O-CB 3.41Å; S1511-S1515 PolarHBondContact O-N 3.08Å; S1511-S1515 PolarHBondContact O-OG 3.07Å; I1512-S1515 PolarHBondContact O-OG 2.92Å; K1513-S1515 PolarHBondContact O-N 3.48Å
1516R64.6Low67.8Low145 Ų14567.8 Ų67.855%0.54734%0.344SS..Hα-helixtrans-113.2-42.4173.7-61.7177.6-175.2-157.1-3.8112I1512 K1513 D1514 Q1520I1512-R1516 WeakPolarHBondContact O-CD 3.16Å; I1512-R1516 WeakPolarHBondContact O-CG 3.41Å; I1512-R1516 PolarHBondContact O-NE 3.29Å; K1513-R1516 WeakPolarHBondContact O-CA 3.41Å; K1513-R1516 WeakPolarHBondContact O-CB 3.45Å; K1513-R1516 PolarHBondContact O-N 3.12Å; D1514-R1516 PolarHBondContact O-N 3.13Å; D1514-R1516 VanDerWaalsContact O-N 3.08Å; R1516-Q1520 VanDerWaalsContact O-CB 3.27Å; R1516-Q1520 WeakPolarHBondContact O-CB 3.41Å; R1516-Q1520 PolarHBondContact O-N 3.03Å
1517L75.1Confident69.8Low26 Ų2666.9 Ų66.914%0.13633%0.332CS..Hα-helixtrans-70.3-40.8-174.2-65.5178.5000113.1D1408 L1411 E1412 K1513 Q1520 L1521D1408-L1517 HydrophobicContact CB-CD1 3.83Å; L1411-L1517 HydrophobicContact CB-CB 4.19Å; L1411-L1517 HydrophobicContact CD1-CB 3.94Å; E1412-L1517 HydrophobicContact CG-CD2 4.21Å; K1513-L1517 PolarHBondContact O-N 3.06Å; L1517-Q1520 PolarHBondContact O-N 2.86Å; L1517-L1521 PolarHBondContact O-N 2.77Å; L1517-L1521 VanDerWaalsContact O-N 3.08Å
1518I80.7Confident71.7Confident25 Ų2562.7 Ų62.713%0.12831%0.309CS..Hα-helixtrans-64.6-50.2177.4-66.2169.5000111.1L1411 F1462 I1465 Q1520 L1521 I1522L1411-I1518 HydrophobicContact CD1-CG1 3.87Å; L1411-I1518 HydrophobicContact CD2-CG1 4.47Å; F1462-I1518 HydrophobicContact CD1-CG1 4.24Å; F1462-I1518 HydrophobicContact CD1-CG2 3.97Å; F1462-I1518 HydrophobicContact CD2-CG2 4.43Å; F1462-I1518 HydrophobicContact CE1-CG2 4.23Å; F1462-I1518 HydrophobicContact CG-CG2 4.1Å; I1465-I1518 HydrophobicContact CD1-CD1 4.4Å; I1465-I1518 HydrophobicContact CG2-CD1 4.26Å; I1518-Q1520 VanDerWaalsContact C-N 3.29Å; I1518-Q1520 PolarHBondContact O-N 2.85Å; I1518-L1521 PolarHBondContact O-N 3.15Å; I1518-I1522 HydrophobicContact CG2-CD1 3.77Å; I1518-I1522 WeakPolarHBondContact O-CG1 3.43Å; I1518-I1522 PolarHBondContact O-N 3.36Å; I1518-I1522 VanDerWaalsContact O-N 3.07Å
1519P82.7Confident73.7Confident69 Ų6960.2 Ų60.245%0.44830%0.296SS..Hα-helixtrans-57.2-36.8172.1-28.236.4000114.3I1522 Y1523P1519-I1522 PolarHBondContact O-N 3.37Å; P1519-Y1523 VanDerWaalsContact O-CB 3.29Å; P1519-Y1523 WeakPolarHBondContact O-CB 3.29Å; P1519-Y1523 PolarHBondContact O-N 2.85Å
1520Q84.9Confident75.5Confident100 Ų10064 Ų6447%0.46730%0.3SS..Hα-helixtrans-65-40.2179-179.5178.2-12.700112.8A1415 R1516 L1517 I1518 A1524A1415-Q1520 HydrophobicContact CB-CG 4.36Å; R1516-Q1520 VanDerWaalsContact O-CB 3.27Å; R1516-Q1520 WeakPolarHBondContact O-CB 3.41Å; R1516-Q1520 PolarHBondContact O-N 3.03Å; L1517-Q1520 PolarHBondContact O-N 2.86Å; I1518-Q1520 VanDerWaalsContact C-N 3.29Å; I1518-Q1520 PolarHBondContact O-N 2.85Å; Q1520-A1524 PolarHBondContact O-N 2.87Å; Q1520-A1524 VanDerWaalsContact O-N 3.14Å
1521L87.1Confident77.3Confident1 Ų158.1 Ų58.11%0.00528%0.279CS..Hα-helixtrans-69.8-45174.4174.251.4000111.4L1411 A1415 F1418 F1462 L1517 I1518 Y1523 A1524 I1525L1411-L1521 HydrophobicContact CD2-CD2 3.84Å; A1415-L1521 HydrophobicContact CB-CB 4.34Å; A1415-L1521 HydrophobicContact CB-CD1 4.43Å; F1418-L1521 HydrophobicContact CD2-CD1 3.8Å; F1418-L1521 HydrophobicContact CE2-CD1 4.34Å; F1462-L1521 HydrophobicContact CE1-CD2 3.85Å; F1462-L1521 HydrophobicContact CE1-CG 4.43Å; F1462-L1521 HydrophobicContact CZ-CB 4.43Å; F1462-L1521 HydrophobicContact CZ-CD2 3.78Å; F1462-L1521 HydrophobicContact CZ-CG 3.94Å; L1517-L1521 PolarHBondContact O-N 2.77Å; L1517-L1521 VanDerWaalsContact O-N 3.08Å; I1518-L1521 PolarHBondContact O-N 3.15Å; L1521-Y1523 VanDerWaalsContact C-N 3.32Å; L1521-Y1523 PolarHBondContact O-N 3Å; L1521-A1524 WeakPolarHBondContact O-CB 3.44Å; L1521-A1524 PolarHBondContact O-N 3.31Å; L1521-I1525 HydrophobicContact CD1-CD1 4.1Å; L1521-I1525 HydrophobicContact CD1-CG1 4.2Å; L1521-I1525 HydrophobicContact CG-CD1 4.24Å; L1521-I1525 WeakPolarHBondContact O-CG1 3.48Å; L1521-I1525 PolarHBondContact O-N 2.82Å
1522I86.9Confident79.2Confident20 Ų2054.7 Ų54.710%0.10326%0.255CS..Hα-helixtrans-58.2-46.4177.4-64.4165.3000110.6F1462 I1518 P1519 A1524 I1525 E1526F1462-I1522 HydrophobicContact CD2-CD1 4.23Å; F1462-I1522 HydrophobicContact CD2-CG1 4.27Å; F1462-I1522 HydrophobicContact CE2-CD1 3.98Å; F1462-I1522 HydrophobicContact CE2-CG1 3.52Å; F1462-I1522 HydrophobicContact CZ-CG1 3.97Å; I1518-I1522 HydrophobicContact CG2-CD1 3.77Å; I1518-I1522 WeakPolarHBondContact O-CG1 3.43Å; I1518-I1522 PolarHBondContact O-N 3.36Å; I1518-I1522 VanDerWaalsContact O-N 3.07Å; P1519-I1522 PolarHBondContact O-N 3.37Å; I1522-A1524 VanDerWaalsContact C-N 3.3Å; I1522-A1524 PolarHBondContact O-N 3.45Å; I1522-I1525 WeakPolarHBondContact O-CB 3.31Å; I1522-I1525 PolarHBondContact O-N 3.49Å; I1522-I1525 VanDerWaalsContact O-N 3.16Å; I1522-E1526 HydrophobicContact CG2-CG 4.36Å; I1522-E1526 VanDerWaalsContact CG2-OE1 3.32Å; I1522-E1526 WeakPolarHBondContact CG2-OE1 3.3Å; I1522-E1526 WeakPolarHBondContact O-CG 3.38Å; I1522-E1526 PolarHBondContact O-N 3.06Å
1523Y89.2Confident81Confident130 Ų13054.4 Ų54.451%0.5125%0.253SS..Hα-helixtrans-59.5-37175.1175-99.5000113P1519 L1521 E1526 Q1527P1519-Y1523 VanDerWaalsContact O-CB 3.29Å; P1519-Y1523 WeakPolarHBondContact O-CB 3.29Å; P1519-Y1523 PolarHBondContact O-N 2.85Å; L1521-Y1523 VanDerWaalsContact C-N 3.32Å; L1521-Y1523 PolarHBondContact O-N 3Å; Y1523-E1526 PolarHBondContact O-N 3.39Å; Y1523-Q1527 HydrophobicContact CD1-CG 4.29Å; Y1523-Q1527 HydrophobicContact CD2-CG 4.41Å; Y1523-Q1527 HydrophobicContact CE1-CG 3.81Å; Y1523-Q1527 HydrophobicContact CE2-CG 3.94Å; Y1523-Q1527 VanDerWaalsContact CE2-NE2 3.31Å; Y1523-Q1527 WeakPolarHBondContact O-CG 3.13Å; Y1523-Q1527 PolarHBondContact O-N 2.9Å
1524A88.5Confident82.8Confident0 Ų051.2 Ų51.20%024%0.24CC..Hα-helixtrans-66.3-38.1176.500000112.3F1418 Q1520 L1521 I1522 Y1528F1418-A1524 HydrophobicContact CB-CB 3.75Å; Q1520-A1524 PolarHBondContact O-N 2.87Å; Q1520-A1524 VanDerWaalsContact O-N 3.14Å; L1521-A1524 WeakPolarHBondContact O-CB 3.44Å; L1521-A1524 PolarHBondContact O-N 3.31Å; I1522-A1524 VanDerWaalsContact C-N 3.3Å; I1522-A1524 PolarHBondContact O-N 3.45Å; A1524-Y1528 PolarHBondContact O-N 3.17Å; A1524-Y1528 VanDerWaalsContact O-N 3.1Å
1525I89.4Confident84.5Confident0 Ų049.9 Ų49.90%023%0.233CC..Hα-helixtrans-64.8-49.7173.4-62.5165.4000110F1418 A1455 L1521 I1522 Q1527 Y1528 E1529F1418-I1525 HydrophobicContact CD1-CG1 3.97Å; F1418-I1525 HydrophobicContact CD2-CD1 4.43Å; F1418-I1525 HydrophobicContact CD2-CG1 3.66Å; F1418-I1525 HydrophobicContact CE1-CG1 4Å; F1418-I1525 HydrophobicContact CE2-CD1 4.14Å; F1418-I1525 HydrophobicContact CE2-CG1 3.69Å; F1418-I1525 HydrophobicContact CG-CG1 3.82Å; F1418-I1525 HydrophobicContact CZ-CD1 4.43Å; F1418-I1525 HydrophobicContact CZ-CG1 3.87Å; A1455-I1525 HydrophobicContact CB-CG2 4.49Å; L1521-I1525 HydrophobicContact CD1-CD1 4.1Å; L1521-I1525 HydrophobicContact CD1-CG1 4.2Å; L1521-I1525 HydrophobicContact CG-CD1 4.24Å; L1521-I1525 WeakPolarHBondContact O-CG1 3.48Å; L1521-I1525 PolarHBondContact O-N 2.82Å; I1522-I1525 WeakPolarHBondContact O-CB 3.31Å; I1522-I1525 PolarHBondContact O-N 3.49Å; I1522-I1525 VanDerWaalsContact O-N 3.16Å; I1525-Q1527 VanDerWaalsContact C-N 3.33Å; I1525-Q1527 PolarHBondContact O-N 2.85Å; I1525-Y1528 WeakPolarHBondContact O-CB 3.44Å; I1525-Y1528 PolarHBondContact O-N 3.48Å; I1525-Y1528 VanDerWaalsContact O-N 3.08Å; I1525-E1529 PolarHBondContact O-N 3.43Å
1526E88.9Confident86.1Confident67 Ų6746.9 Ų46.931%0.31321%0.212SC..Hα-helixtrans-58-41178.1-70.4169.4-177.400112.6I1522 Y1523 R1530 R1553I1522-E1526 HydrophobicContact CG2-CG 4.36Å; I1522-E1526 VanDerWaalsContact CG2-OE1 3.32Å; I1522-E1526 WeakPolarHBondContact CG2-OE1 3.3Å; I1522-E1526 WeakPolarHBondContact O-CG 3.38Å; I1522-E1526 PolarHBondContact O-N 3.06Å; Y1523-E1526 PolarHBondContact O-N 3.39Å; E1526-R1530 VanDerWaalsContact O-CB 3.27Å; E1526-R1530 WeakPolarHBondContact O-CB 3.42Å; E1526-R1530 PolarHBondContact O-N 3.12Å; E1526-R1553 IonicContact OE1-CZ 3.62Å; E1526-R1553 IonicContact OE1-NH1 3.15Å; E1526-R1553 PolarHBondContact OE1-NH1 3.21Å; E1526-R1553 IonicContact OE1-NH2 3.41Å
1527Q89.6Confident87.2Confident30 Ų3047.9 Ų47.914%0.1422%0.22CC..Hα-helixtrans-67.1-40.1174.6-69.1-43.9-63.200112.1Y1523 I1525 R1530 F1531Y1523-Q1527 HydrophobicContact CD1-CG 4.29Å; Y1523-Q1527 HydrophobicContact CD2-CG 4.41Å; Y1523-Q1527 HydrophobicContact CE1-CG 3.81Å; Y1523-Q1527 HydrophobicContact CE2-CG 3.94Å; Y1523-Q1527 VanDerWaalsContact CE2-NE2 3.31Å; Y1523-Q1527 WeakPolarHBondContact O-CG 3.13Å; Y1523-Q1527 PolarHBondContact O-N 2.9Å; I1525-Q1527 VanDerWaalsContact C-N 3.33Å; I1525-Q1527 PolarHBondContact O-N 2.85Å; Q1527-R1530 WeakPolarHBondContact O-CB 3.37Å; Q1527-R1530 PolarHBondContact O-N 2.77Å; Q1527-F1531 HydrophobicContact CB-CE2 4.27Å; Q1527-F1531 WeakPolarHBondContact O-CD2 3.37Å; Q1527-F1531 PolarHBondContact O-N 2.88Å
1528Y91.3Very high87.6Confident4 Ų452.3 Ų52.32%0.01624%0.238CC..Hα-helixtrans-60.5-51.2176.8168.5-118000111.4F1418 L1421 S1422 A1524 I1525 R1530 F1531 L1532F1418-Y1528 AromaticContact CD1-CD1 3.82Å; F1418-Y1528 HydrophobicContact CD1-CD1 3.82Å; F1418-Y1528 HydrophobicContact CD1-CG 4.15Å; F1418-Y1528 AromaticContact CE1-CD1 3.92Å; F1418-Y1528 HydrophobicContact CE1-CD1 3.92Å; F1418-Y1528 HydrophobicContact CE1-CE1 4.36Å; L1421-Y1528 HydrophobicContact CB-CD2 3.7Å; L1421-Y1528 HydrophobicContact CB-CE2 3.74Å; L1421-Y1528 HydrophobicContact CB-CG 4.37Å; L1421-Y1528 HydrophobicContact CD1-CE2 4.48Å; S1422-Y1528 VanDerWaalsContact OG-CA 3.31Å; S1422-Y1528 WeakPolarHBondContact OG-CA 3.42Å; S1422-Y1528 PolarHBondContact OG-N 3.01Å; A1524-Y1528 PolarHBondContact O-N 3.17Å; A1524-Y1528 VanDerWaalsContact O-N 3.1Å; I1525-Y1528 WeakPolarHBondContact O-CB 3.44Å; I1525-Y1528 PolarHBondContact O-N 3.48Å; I1525-Y1528 VanDerWaalsContact O-N 3.08Å; Y1528-R1530 VanDerWaalsContact C-N 3.28Å; Y1528-R1530 PolarHBondContact O-N 3.44Å; Y1528-F1531 PolarHBondContact O-N 3.2Å; Y1528-F1531 VanDerWaalsContact O-N 3.15Å; Y1528-L1532 HydrophobicContact CE1-CD1 4.26Å; Y1528-L1532 HydrophobicContact CE2-CD1 3.95Å; Y1528-L1532 WeakPolarHBondContact O-CB 3.37Å; Y1528-L1532 PolarHBondContact O-N 2.96Å; Y1528-L1532 WeakPolarHBondContact OH-CD1 3.37Å
1529E89.5Confident87.7Confident34 Ų3452.3 Ų52.316%0.15924%0.241CC..Hα-helixtrans-57.3-41.2176.2-69.2178.9-176.200111.6I1525 F1531 L1532 M1533 V1547I1525-E1529 PolarHBondContact O-N 3.43Å; E1529-F1531 PolarHBondContact O-N 3.05Å; E1529-L1532 PolarHBondContact O-N 3.47Å; E1529-M1533 WeakPolarHBondContact O-CB 3.47Å; E1529-M1533 PolarHBondContact O-N 2.81Å; E1529-V1547 HydrophobicContact CG-CG1 4.43Å
1530R89.5Confident87.7Confident145 Ų14558.7 Ų58.755%0.54726%0.261SS..Hα-helixtrans-61.6-41.6175.9-175.4-174.5-175-161.66113.3E1526 Q1527 Y1528 Q1534E1526-R1530 VanDerWaalsContact O-CB 3.27Å; E1526-R1530 WeakPolarHBondContact O-CB 3.42Å; E1526-R1530 PolarHBondContact O-N 3.12Å; Q1527-R1530 WeakPolarHBondContact O-CB 3.37Å; Q1527-R1530 PolarHBondContact O-N 2.77Å; Y1528-R1530 VanDerWaalsContact C-N 3.28Å; Y1528-R1530 PolarHBondContact O-N 3.44Å; R1530-Q1534 WeakPolarHBondContact O-CG 3.49Å; R1530-Q1534 PolarHBondContact O-N 2.94Å
1531F89.6Confident87.5Confident30 Ų3057 Ų5713%0.13225%0.254CS..Hα-helixtrans-74.5-32.4176.1-70.1-63.6000112.1T1425 K1426 L1429 Q1527 Y1528 E1529 Q1534 L1535T1425-F1531 VanDerWaalsContact CG2-C 3.5Å; T1425-F1531 HydrophobicContact CG2-CB 3.81Å; K1426-F1531 HydrophobicContact CG-CD1 3.97Å; K1426-F1531 HydrophobicContact CG-CE1 4.24Å; K1426-F1531 HydrophobicContact CG-CG 4.15Å; L1429-F1531 HydrophobicContact CD2-CD1 4.37Å; Q1527-F1531 HydrophobicContact CB-CE2 4.27Å; Q1527-F1531 WeakPolarHBondContact O-CD2 3.37Å; Q1527-F1531 PolarHBondContact O-N 2.88Å; Y1528-F1531 PolarHBondContact O-N 3.2Å; Y1528-F1531 VanDerWaalsContact O-N 3.15Å; E1529-F1531 PolarHBondContact O-N 3.05Å; F1531-Q1534 WeakPolarHBondContact O-CB 3.45Å; F1531-Q1534 PolarHBondContact O-N 3.5Å; F1531-L1535 PolarHBondContact O-N 3.01Å
1532L89.6Confident87.4Confident0 Ų061.9 Ų61.90%028%0.281CS..Hα-helixtrans-68.9-39.3177.1-169.8140.1000112T1425 V1447 Y1528 E1529 Q1534 L1535 S1536 L1543 M1544 V1547T1425-L1532 HydrophobicContact CG2-CB 4.39Å; V1447-L1532 HydrophobicContact CB-CD1 4.23Å; V1447-L1532 HydrophobicContact CG1-CD1 3.61Å; V1447-L1532 HydrophobicContact CG1-CD2 4.49Å; V1447-L1532 HydrophobicContact CG2-CD1 3.58Å; Y1528-L1532 HydrophobicContact CE1-CD1 4.26Å; Y1528-L1532 HydrophobicContact CE2-CD1 3.95Å; Y1528-L1532 WeakPolarHBondContact O-CB 3.37Å; Y1528-L1532 PolarHBondContact O-N 2.96Å; Y1528-L1532 WeakPolarHBondContact OH-CD1 3.37Å; E1529-L1532 PolarHBondContact O-N 3.47Å; L1532-Q1534 VanDerWaalsContact C-N 3.32Å; L1532-Q1534 PolarHBondContact O-N 3.33Å; L1532-L1535 PolarHBondContact O-N 2.89Å; L1532-S1536 VanDerWaalsContact O-CB 3.32Å; L1532-S1536 WeakPolarHBondContact O-CB 3.24Å; L1532-S1536 PolarHBondContact O-N 3.22Å; L1532-L1543 HydrophobicContact CD2-CB 3.63Å; L1532-L1543 HydrophobicContact CG-CB 4.08Å; L1532-L1543 HydrophobicContact CG-CD1 4.36Å; L1532-M1544 HydrophobicContact CD2-CG 4.06Å; L1532-M1544 HydrophobicContact CD2-SD 3.4Å; L1532-M1544 WeakPolarHBondContact CD2-SD 3.37Å; L1532-V1547 HydrophobicContact CD2-CG2 4.28Å
1533M87.9Confident87.2Confident80 Ų8061 Ų6139%0.39428%0.276SS..Hα-helixtrans-58.9-40.6168.6-176.767.572.400111.9E1529 K1537 M1544E1529-M1533 WeakPolarHBondContact O-CB 3.47Å; E1529-M1533 PolarHBondContact O-N 2.81Å; M1533-K1537 WeakPolarHBondContact O-CG 3.49Å; M1533-K1537 PolarHBondContact O-N 2.76Å; M1533-K1537 VanDerWaalsContact O-N 3.1Å; M1533-M1544 HydrophobicContact CB-SD 4.37Å; M1533-M1544 HydrophobicContact CE-CE 3.98Å; M1533-M1544 HydrophobicContact CE-CG 3.7Å; M1533-M1544 HydrophobicContact CE-SD 3.92Å; M1533-M1544 HydrophobicContact SD-CG 4.05Å
1534Q88.8Confident87Confident65 Ų6556.1 Ų56.130%0.30426%0.259SS..Hα-helixtrans-68.7-38.6175.2-72.6-178.434.100113L1429 R1530 F1531 L1532 K1538L1429-Q1534 HydrophobicContact CD1-CB 4.35Å; L1429-Q1534 HydrophobicContact CD2-CB 4.01Å; R1530-Q1534 WeakPolarHBondContact O-CG 3.49Å; R1530-Q1534 PolarHBondContact O-N 2.94Å; F1531-Q1534 WeakPolarHBondContact O-CB 3.45Å; F1531-Q1534 PolarHBondContact O-N 3.5Å; L1532-Q1534 VanDerWaalsContact C-N 3.32Å; L1532-Q1534 PolarHBondContact O-N 3.33Å; Q1534-K1538 PolarHBondContact O-N 2.7Å
1535L87.4Confident86.5Confident0 Ų065.9 Ų65.90%030%0.295CS..Hα-helixtrans-65.4-48.7176-179.258.2000110.4T1425 L1429 V1432 F1439 F1443 F1531 L1532 K1537 K1538 S1539 L1543T1425-L1535 HydrophobicContact CG2-CB 4.13Å; T1425-L1535 HydrophobicContact CG2-CD2 4Å; L1429-L1535 HydrophobicContact CB-CD1 4.37Å; V1432-L1535 HydrophobicContact CB-CD1 4.42Å; V1432-L1535 HydrophobicContact CG2-CD1 4.17Å; F1439-L1535 HydrophobicContact CD1-CD1 4.27Å; F1439-L1535 HydrophobicContact CD1-CD2 4.21Å; F1439-L1535 HydrophobicContact CD1-CG 4.44Å; F1439-L1535 HydrophobicContact CE1-CD1 4.29Å; F1439-L1535 HydrophobicContact CE1-CD2 4.27Å; F1439-L1535 HydrophobicContact CE1-CG 4.19Å; F1443-L1535 HydrophobicContact CE1-CD2 3.67Å; F1443-L1535 HydrophobicContact CZ-CD2 4.18Å; F1531-L1535 PolarHBondContact O-N 3.01Å; L1532-L1535 PolarHBondContact O-N 2.89Å; L1535-K1537 PolarHBondContact O-N 3.19Å; L1535-K1538 CarbonylContact O-C 3.4Å; L1535-K1538 PolarHBondContact O-N 3.02Å; L1535-S1539 PolarHBondContact O-N 3.15Å; L1535-S1539 PolarHBondContact O-OG 3.4Å; L1535-S1539 VanDerWaalsContact O-OG 3.11Å; L1535-L1543 HydrophobicContact CB-CD1 4.44Å; L1535-L1543 HydrophobicContact CD2-CD1 3.88Å; L1535-L1543 HydrophobicContact CG-CD1 3.99Å
1536S87.3Confident85.8Confident14 Ų1466.4 Ų66.410%0.09830%0.298CS..Hα-helixtrans-55-46.8177.1-1790000112.7L1532 K1538 S1539 K1540 I1541 N1542 L1543L1532-S1536 VanDerWaalsContact O-CB 3.32Å; L1532-S1536 WeakPolarHBondContact O-CB 3.24Å; L1532-S1536 PolarHBondContact O-N 3.22Å; S1536-K1538 PolarHBondContact O-N 3.1Å; S1536-S1539 PolarHBondContact O-OG 3.48Å; S1536-K1540 PolarHBondContact O-N 2.98Å; S1536-K1540 VanDerWaalsContact O-N 3.13Å; S1536-I1541 VanDerWaalsContact CA-O 3.28Å; S1536-I1541 WeakPolarHBondContact CA-O 3.39Å; S1536-I1541 VanDerWaalsContact CB-O 3.31Å; S1536-I1541 WeakPolarHBondContact CB-O 3.36Å; S1536-I1541 PolarHBondContact OG-O 3.29Å; S1536-N1542 WeakPolarHBondContact OG-CA 3.24Å; S1536-L1543 PolarHBondContact OG-N 3.31Å
1537K86.9Confident85.3Confident166 Ų16664 Ų6472%0.72229%0.288SS*.Hα-helixtrans-64.1-23175.6-74.5-174.6177-168.40114.1M1533 L1535M1533-K1537 WeakPolarHBondContact O-CG 3.49Å; M1533-K1537 PolarHBondContact O-N 2.76Å; M1533-K1537 VanDerWaalsContact O-N 3.1Å; L1535-K1537 PolarHBondContact O-N 3.19Å
1538K84.4Confident84.2Confident118 Ų11869.2 Ų69.251%0.51331%0.31SS..Hα-helixtrans-98.5-27.1179.2-70.7-151.4172.2-146.10114.6L1429 V1432 R1433 Q1534 L1535 S1536L1429-K1538 HydrophobicContact CD1-CB 4.46Å; L1429-K1538 HydrophobicContact CD1-CD 4.14Å; L1429-K1538 HydrophobicContact CD1-CG 4.43Å; V1432-K1538 HydrophobicContact CG1-CB 4.16Å; R1433-K1538 HydrophobicContact CG-CD 3.71Å; Q1534-K1538 PolarHBondContact O-N 2.7Å; L1535-K1538 CarbonylContact O-C 3.4Å; L1535-K1538 PolarHBondContact O-N 3.02Å; S1536-K1538 PolarHBondContact O-N 3.1Å
1539S82.9Confident82.9Confident26 Ų2674.7 Ų74.718%0.18234%0.339CS..Hα-helixtrans-86.6-12.5175.463.50000113.8L1535 S1536 I1541L1535-S1539 PolarHBondContact O-N 3.15Å; L1535-S1539 PolarHBondContact O-OG 3.4Å; L1535-S1539 VanDerWaalsContact O-OG 3.11Å; S1536-S1539 PolarHBondContact O-OG 3.48Å; S1539-I1541 PolarHBondContact O-N 3.14Å; S1539-I1541 PolarHBondContact OG-N 2.93Å
1540K81.3Confident81.4Confident203 Ų20375 Ų7588%0.88335%0.345SS*.SBendtrans63.45.3-167.2-54.8-177.1176.9-176.10114.6S1536S1536-K1540 PolarHBondContact O-N 2.98Å; S1536-K1540 VanDerWaalsContact O-N 3.13Å
1541I81.7Confident79.7Confident63 Ų6372.3 Ų72.332%0.32335%0.345SS..  trans-96125.3179.4-64.5167000109.1F1439 E1444 S1536 S1539 L1543F1439-I1541 HydrophobicContact CE1-CD1 4.39Å; F1439-I1541 HydrophobicContact CE2-CD1 4.09Å; F1439-I1541 HydrophobicContact CZ-CB 4.18Å; F1439-I1541 HydrophobicContact CZ-CD1 3.62Å; F1439-I1541 HydrophobicContact CZ-CG1 4.48Å; F1439-I1541 HydrophobicContact CZ-CG2 4.22Å; E1444-I1541 VanDerWaalsContact OE1-CG2 3.31Å; E1444-I1541 WeakPolarHBondContact OE1-CG2 3.31Å; S1536-I1541 VanDerWaalsContact CA-O 3.28Å; S1536-I1541 WeakPolarHBondContact CA-O 3.39Å; S1536-I1541 VanDerWaalsContact CB-O 3.31Å; S1536-I1541 WeakPolarHBondContact CB-O 3.36Å; S1536-I1541 PolarHBondContact OG-O 3.29Å; S1539-I1541 PolarHBondContact O-N 3.14Å; S1539-I1541 PolarHBondContact OG-N 2.93Å; I1541-L1543 VanDerWaalsContact C-N 3.3Å; I1541-L1543 HydrophobicContact CG2-CD2 3.98Å; I1541-L1543 HydrophobicContact CG2-CG 4.29Å; I1541-L1543 PolarHBondContact O-N 2.9Å
1542N83.8Confident78Confident105 Ų10573.8 Ų73.856%0.56136%0.363SS*.  trans-80.271.8-176.7-169.1-9.1000112.9S1536 M1544 R1545S1536-N1542 WeakPolarHBondContact OG-CA 3.24Å; N1542-M1544 PolarHBondContact O-N 3.44Å; N1542-M1544 PolarHBondContact OD1-N 2.99Å; N1542-R1545 WeakPolarHBondContact O-CB 3.47Å; N1542-R1545 PolarHBondContact O-N 3.05Å; N1542-R1545 PolarHBondContact OD1-N 2.73Å
1543L84.4Confident76.2Confident0 Ų082.5 Ų82.50%040%0.396CS..G310 helixtrans-59.3-28.3176.7-61.6174.3000112.7F1439 F1443 E1444 L1532 L1535 S1536 I1541 R1545 N1546F1439-L1543 HydrophobicContact CE1-CD1 4.33Å; F1439-L1543 HydrophobicContact CE2-CD2 4.25Å; F1439-L1543 HydrophobicContact CZ-CD1 4.16Å; F1439-L1543 HydrophobicContact CZ-CD2 3.98Å; F1439-L1543 HydrophobicContact CZ-CG 4.38Å; F1443-L1543 HydrophobicContact CE1-CD1 4.04Å; E1444-L1543 HydrophobicContact CG-CD2 3.88Å; L1532-L1543 HydrophobicContact CD2-CB 3.63Å; L1532-L1543 HydrophobicContact CG-CB 4.08Å; L1532-L1543 HydrophobicContact CG-CD1 4.36Å; L1535-L1543 HydrophobicContact CB-CD1 4.44Å; L1535-L1543 HydrophobicContact CD2-CD1 3.88Å; L1535-L1543 HydrophobicContact CG-CD1 3.99Å; S1536-L1543 PolarHBondContact OG-N 3.31Å; I1541-L1543 VanDerWaalsContact C-N 3.3Å; I1541-L1543 HydrophobicContact CG2-CD2 3.98Å; I1541-L1543 HydrophobicContact CG2-CG 4.29Å; I1541-L1543 PolarHBondContact O-N 2.9Å; L1543-R1545 PolarHBondContact O-N 2.91Å; L1543-N1546 WeakPolarHBondContact O-CB 3.34Å; L1543-N1546 PolarHBondContact O-N 3.34Å; L1543-N1546 VanDerWaalsContact O-N 3.11Å
1544M83.7Confident74.6Confident29 Ų2983.9 Ų83.914%0.14340%0.404CS..G310 helixtrans-64.2-23.9179.4-69.2-62.5-53.600113.1L1532 M1533 N1542 N1546 V1547 L1549L1532-M1544 HydrophobicContact CD2-CG 4.06Å; L1532-M1544 HydrophobicContact CD2-SD 3.4Å; L1532-M1544 WeakPolarHBondContact CD2-SD 3.37Å; M1533-M1544 HydrophobicContact CB-SD 4.37Å; M1533-M1544 HydrophobicContact CE-CE 3.98Å; M1533-M1544 HydrophobicContact CE-CG 3.7Å; M1533-M1544 HydrophobicContact CE-SD 3.92Å; M1533-M1544 HydrophobicContact SD-CG 4.05Å; N1542-M1544 PolarHBondContact O-N 3.44Å; N1542-M1544 PolarHBondContact OD1-N 2.99Å; M1544-N1546 PolarHBondContact O-N 3.4Å; M1544-N1546 VanDerWaalsContact O-N 3.1Å; M1544-V1547 HydrophobicContact CE-CB 4.37Å; M1544-V1547 PolarHBondContact O-N 3.5Å; M1544-L1549 HydrophobicContact CE-CD2 4.48Å
1545R78.9Confident72.9Confident205 Ų20590 Ų9077%0.77443%0.431SS*.G310 helixtrans-59.6-20.3173.4-169.8179.3-178.2-168.41.6113.2R1452 N1542 L1543R1452-R1545 PolarHBondContact NH2-O 3.12Å; N1542-R1545 WeakPolarHBondContact O-CB 3.47Å; N1542-R1545 PolarHBondContact O-N 3.05Å; N1542-R1545 PolarHBondContact OD1-N 2.73Å; L1543-R1545 PolarHBondContact O-N 2.91Å
1546N75.3Confident71.4Confident10 Ų1099.7 Ų99.75%0.05347%0.467CS..G310 helixtrans-89.4-6176-73.3-50.2000113.4V1447 R1448 R1452 L1543 M1544V1447-N1546 HydrophobicContact CG1-CB 3.91Å; R1448-N1546 HydrophobicContact CB-CB 4.09Å; R1448-N1546 HydrophobicContact CG-CB 4.49Å; R1448-N1546 PolarHBondContact NE-OD1 3.23Å; R1448-N1546 PolarHBondContact NH2-OD1 3.27Å; R1452-N1546 WeakPolarHBondContact CG-O 3.34Å; L1543-N1546 WeakPolarHBondContact O-CB 3.34Å; L1543-N1546 PolarHBondContact O-N 3.34Å; L1543-N1546 VanDerWaalsContact O-N 3.11Å; M1544-N1546 PolarHBondContact O-N 3.4Å; M1544-N1546 VanDerWaalsContact O-N 3.1Å
1547V76.5Confident70.1Confident18 Ų18104.9 Ų104.911%0.10949%0.492CS..  trans-107.9131.9-176.9-1760000111.5V1447 E1529 L1532 M1544V1447-V1547 HydrophobicContact CG1-CG2 4.07Å; E1529-V1547 HydrophobicContact CG-CG1 4.43Å; L1532-V1547 HydrophobicContact CD2-CG2 4.28Å; M1544-V1547 HydrophobicContact CE-CB 4.37Å; M1544-V1547 PolarHBondContact O-N 3.5Å
1548K68.2Low68.9Low139 Ų139101.9 Ų101.960%0.60448%0.484SS*.  trans-94.7104169.5-75.2-172.3175.1-176.40110.1G1451G1451-K1548 PolarHBondContact O-N 3.22Å
1549L64.2Low68Low119 Ų119103.2 Ų103.262%0.62349%0.493SS*.  trans-57.7141.8171.1-70.4162.1000110.8M1544M1544-L1549 HydrophobicContact CE-CD2 4.48Å
1550S58Low67.2Low41 Ų41105.4 Ų105.429%0.28751%0.512SS..  trans-86.9115.3-172.2-1740000112.8Y1459 A1552Y1459-S1550 WeakPolarHBondContact CD1-OG 3.19Å; Y1459-S1550 VanDerWaalsContact CD2-OG 3.29Å; Y1459-S1550 WeakPolarHBondContact CD2-OG 3.48Å; Y1459-S1550 VanDerWaalsContact CG-OG 3.29Å; S1550-A1552 PolarHBondContact O-N 3.34Å; S1550-A1552 VanDerWaalsContact O-N 3.08Å; S1550-A1552 WeakPolarHBondContact OG-CB 3.25Å
1551T53.9Low66.5Low87 Ų8797.6 Ų97.653%0.53449%0.486SS..G310 helixtrans-75.113.5175.157.70000113.7R1553T1551-R1553 PolarHBondContact O-N 3.04Å
1552A52.3Low65.7Low62 Ų6297.8 Ų97.851%0.51249%0.489SS..G310 helixtrans-74.6-6.6179.300000114.2Y1459 S1550Y1459-A1552 HydrophobicContact CD1-CB 4.28Å; S1550-A1552 PolarHBondContact O-N 3.34Å; S1550-A1552 VanDerWaalsContact O-N 3.08Å; S1550-A1552 WeakPolarHBondContact OG-CB 3.25Å
1553R53Low65.2Low182 Ų18297 Ų9769%0.68748%0.484SS*.G310 helixtrans-126.58.1176.1-71.3-177.8175.7158.7-5.2113.6E1526 T1551E1526-R1553 IonicContact OE1-CZ 3.62Å; E1526-R1553 IonicContact OE1-NH1 3.15Å; E1526-R1553 PolarHBondContact OE1-NH1 3.21Å; E1526-R1553 IonicContact OE1-NH2 3.41Å; T1551-R1553 PolarHBondContact O-N 3.04Å
1554D53.9Low64.7Low109 Ų10998.9 Ų98.958%0.58350%0.5SS*.SBendtrans-107.5159.9-169.2-155.4-7.1000112.1R1556D1554-R1556 PolarHBondContact O-N 2.94Å
1555F53.5Low63.7Low194 Ų194103.3 Ų103.385%0.85152%0.52SS*.  trans-70.2102.7-179.2-73.5-79.6000111I1557F1555-I1557 VanDerWaalsContact C-N 3.35Å; F1555-I1557 PolarHBondContact O-N 3.32Å
1556R54.8Low63.3Low203 Ų20398.7 Ų98.777%0.76651%0.51SS*.  trans-7386.7173.7-67.2-173.4-179.8-170.1-0.5111.2D1554 N1558D1554-R1556 PolarHBondContact O-N 2.94Å; R1556-N1558 PolarHBondContact O-N 3.08Å
1557I60.8Low63.1Low123 Ų123103.7 Ų103.763%0.63153%0.533SS*.  trans-58.8117161.2-58.4178.2000107.3F1555 Q1559 V1562F1555-I1557 VanDerWaalsContact C-N 3.35Å; F1555-I1557 PolarHBondContact O-N 3.32Å; I1557-Q1559 VanDerWaalsContact C-N 3.32Å; I1557-Q1559 PolarHBondContact O-N 3.49Å; I1557-V1562 HydrophobicContact CG2-CB 4.38Å; I1557-V1562 HydrophobicContact CG2-CG2 3.61Å
1558N62.2Low62.5Low103 Ų103108.2 Ų108.255%0.55155%0.553SS**  trans-72.689.8176.1-179.3-0.5000108.7R1556 A1560 A1561 V1562R1556-N1558 PolarHBondContact O-N 3.08Å; N1558-A1560 PolarHBondContact O-N 3.18Å; N1558-A1560 PolarHBondContact OD1-N 2.66Å; N1558-A1561 HydrophobicContact CB-CB 4.03Å; N1558-A1561 WeakPolarHBondContact ND2-CB 3.38Å; N1558-A1561 PolarHBondContact O-N 3.46Å; N1558-A1561 PolarHBondContact OD1-N 3.18Å; N1558-V1562 PolarHBondContact O-N 2.99Å
1559Q64.4Low62Low147 Ų147104.9 Ų104.969%0.68755%0.547SS*.Hα-helixtrans-54.3-37.4-177.2-74.6179.9-30.800112.4I1557 A1561 V1562 I1563I1557-Q1559 VanDerWaalsContact C-N 3.32Å; I1557-Q1559 PolarHBondContact O-N 3.49Å; Q1559-A1561 PolarHBondContact O-N 2.93Å; Q1559-V1562 PolarHBondContact O-N 2.71Å; Q1559-I1563 HydrophobicContact CB-CD1 4.45Å; Q1559-I1563 WeakPolarHBondContact O-CB 3.3Å; Q1559-I1563 WeakPolarHBondContact O-CD1 3.49Å; Q1559-I1563 WeakPolarHBondContact O-CG1 3.43Å; Q1559-I1563 PolarHBondContact O-N 3.4Å
1560A67.4Low61.5Low72 Ų72102.6 Ų102.660%0.59554%0.538SS*.Hα-helixtrans-64.7-38.5176.300000112.6N1558 A1564N1558-A1560 PolarHBondContact O-N 3.18Å; N1558-A1560 PolarHBondContact OD1-N 2.66Å; A1560-A1564 WeakPolarHBondContact O-CB 3.43Å; A1560-A1564 PolarHBondContact O-N 3.34Å
1561A65.9Low61.3Low39 Ų39104 Ų10432%0.32255%0.552SS.*Hα-helixtrans-77.4-30.817600000113.1N1558 Q1559 H1565N1558-A1561 HydrophobicContact CB-CB 4.03Å; N1558-A1561 WeakPolarHBondContact ND2-CB 3.38Å; N1558-A1561 PolarHBondContact O-N 3.46Å; N1558-A1561 PolarHBondContact OD1-N 3.18Å; Q1559-A1561 PolarHBondContact O-N 2.93Å; A1561-H1565 VanDerWaalsContact O-CB 3.3Å; A1561-H1565 WeakPolarHBondContact O-CB 3.34Å; A1561-H1565 PolarHBondContact O-CD2 3.11Å; A1561-H1565 PolarHBondContact O-N 3.09Å
1562V64.1Low61.2Low67 Ų67106.7 Ų106.741%0.40656%0.563SS.*Hα-helixtrans-73.4-42.1174.8170.80000111I1557 N1558 Q1559 H1565 L1566I1557-V1562 HydrophobicContact CG2-CB 4.38Å; I1557-V1562 HydrophobicContact CG2-CG2 3.61Å; N1558-V1562 PolarHBondContact O-N 2.99Å; Q1559-V1562 PolarHBondContact O-N 2.71Å; V1562-H1565 PolarHBondContact O-N 2.98Å; V1562-L1566 HydrophobicContact CG1-CD1 3.81Å; V1562-L1566 WeakPolarHBondContact O-CB 3.34Å; V1562-L1566 WeakPolarHBondContact O-CD1 3.45Å; V1562-L1566 PolarHBondContact O-N 2.88Å
1563I74Confident61Low87 Ų87107.8 Ų107.845%0.44657%0.567SS.*Hα-helixtrans-62.7-50.9171.9-69.8166.1000109.2Q1559 H1565 L1566 E1567Q1559-I1563 HydrophobicContact CB-CD1 4.45Å; Q1559-I1563 WeakPolarHBondContact O-CB 3.3Å; Q1559-I1563 WeakPolarHBondContact O-CD1 3.49Å; Q1559-I1563 WeakPolarHBondContact O-CG1 3.43Å; Q1559-I1563 PolarHBondContact O-N 3.4Å; I1563-H1565 VanDerWaalsContact C-N 3.29Å; I1563-H1565 PolarHBondContact O-N 2.82Å; I1563-L1566 CarbonylContact O-C 3.58Å; I1563-L1566 PolarHBondContact O-N 3.47Å; I1563-E1567 HydrophobicContact CG2-CG 4.11Å; I1563-E1567 VanDerWaalsContact CG2-OE1 3.22Å; I1563-E1567 WeakPolarHBondContact CG2-OE1 3.49Å; I1563-E1567 WeakPolarHBondContact O-CB 3.46Å; I1563-E1567 VanDerWaalsContact O-CG 3.32Å; I1563-E1567 WeakPolarHBondContact O-CG 3.45Å; I1563-E1567 PolarHBondContact O-N 2.92Å
1564A73.4Confident60.7Low40 Ų40105.6 Ų105.633%0.33157%0.568SS.*Hα-helixtrans-60.5-33.2176.600000113.6A1560 Q1568A1560-A1564 WeakPolarHBondContact O-CB 3.43Å; A1560-A1564 PolarHBondContact O-N 3.34Å; A1564-Q1568 VanDerWaalsContact O-CB 3.26Å; A1564-Q1568 WeakPolarHBondContact O-CB 3.28Å; A1564-Q1568 VanDerWaalsContact O-CG 3.24Å; A1564-Q1568 WeakPolarHBondContact O-CG 3.41Å; A1564-Q1568 PolarHBondContact O-N 3.33Å
1565H63.4Low60.1Low122 Ų122105.6 Ų105.657%0.56558%0.576SS**Hα-helixtrans-74.6-34.3172.1-90.9-55.9000113.3A1561 V1562 I1563 S1569A1561-H1565 VanDerWaalsContact O-CB 3.3Å; A1561-H1565 WeakPolarHBondContact O-CB 3.34Å; A1561-H1565 PolarHBondContact O-CD2 3.11Å; A1561-H1565 PolarHBondContact O-N 3.09Å; V1562-H1565 PolarHBondContact O-N 2.98Å; I1563-H1565 VanDerWaalsContact C-N 3.29Å; I1563-H1565 PolarHBondContact O-N 2.82Å; H1565-S1569 VanDerWaalsContact O-CB 3.23Å; H1565-S1569 WeakPolarHBondContact O-CB 3.37Å; H1565-S1569 PolarHBondContact O-N 3.12Å; H1565-S1569 PolarHBondContact O-OG 3.42Å
1566L69.9Low59.5Low108 Ų108100.4 Ų100.457%0.56556%0.564SS**Hα-helixtrans-67-43.4171.5-99.1132.2000111V1562 I1563 S1569 T1570V1562-L1566 HydrophobicContact CG1-CD1 3.81Å; V1562-L1566 WeakPolarHBondContact O-CB 3.34Å; V1562-L1566 WeakPolarHBondContact O-CD1 3.45Å; V1562-L1566 PolarHBondContact O-N 2.88Å; I1563-L1566 CarbonylContact O-C 3.58Å; I1563-L1566 PolarHBondContact O-N 3.47Å; L1566-S1569 CarbonylContact O-C 3.58Å; L1566-S1569 WeakPolarHBondContact O-CB 3.48Å; L1566-S1569 PolarHBondContact O-N 3.11Å; L1566-S1569 VanDerWaalsContact O-N 3.15Å; L1566-T1570 WeakPolarHBondContact O-CG2 3.33Å; L1566-T1570 PolarHBondContact O-N 3.31Å; L1566-T1570 PolarHBondContact O-OG1 3.13Å; L1566-T1570 VanDerWaalsContact O-OG1 3.1Å
1567E71.1Confident58.7Low115 Ų11598.2 Ų98.254%0.53757%0.567SS.*Hα-helixtrans-66-39.5175.5-71.2170.3166.200111.8I1563 T1570 A1571I1563-E1567 HydrophobicContact CG2-CG 4.11Å; I1563-E1567 VanDerWaalsContact CG2-OE1 3.22Å; I1563-E1567 WeakPolarHBondContact CG2-OE1 3.49Å; I1563-E1567 WeakPolarHBondContact O-CB 3.46Å; I1563-E1567 VanDerWaalsContact O-CG 3.32Å; I1563-E1567 WeakPolarHBondContact O-CG 3.45Å; I1563-E1567 PolarHBondContact O-N 2.92Å; E1567-T1570 WeakPolarHBondContact CA-OG1 3.37Å; E1567-T1570 PolarHBondContact O-OG1 3.16Å; E1567-A1571 WeakPolarHBondContact O-CB 3.34Å; E1567-A1571 PolarHBondContact O-N 3.35Å
1568Q64.1Low57.5Low113 Ų11396.8 Ų96.853%0.52857%0.568SS.*Hα-helixtrans-66-38.1168.6-78.2178.7-4.600111.8A1564 L1572A1564-Q1568 VanDerWaalsContact O-CB 3.26Å; A1564-Q1568 WeakPolarHBondContact O-CB 3.28Å; A1564-Q1568 VanDerWaalsContact O-CG 3.24Å; A1564-Q1568 WeakPolarHBondContact O-CG 3.41Å; A1564-Q1568 PolarHBondContact O-N 3.33Å; Q1568-L1572 WeakPolarHBondContact O-CB 3.48Å; Q1568-L1572 WeakPolarHBondContact O-CD1 3.45Å; Q1568-L1572 WeakPolarHBondContact O-CG 3.38Å; Q1568-L1572 PolarHBondContact O-N 3.09Å
1569S56.7Low56.2Low69 Ų6998 Ų9848%0.48358%0.575SS.*Hα-helixtrans-67.8-38.8178.3-60.40000111.9H1565 L1566 S1573H1565-S1569 VanDerWaalsContact O-CB 3.23Å; H1565-S1569 WeakPolarHBondContact O-CB 3.37Å; H1565-S1569 PolarHBondContact O-N 3.12Å; H1565-S1569 PolarHBondContact O-OG 3.42Å; L1566-S1569 CarbonylContact O-C 3.58Å; L1566-S1569 WeakPolarHBondContact O-CB 3.48Å; L1566-S1569 PolarHBondContact O-N 3.11Å; L1566-S1569 VanDerWaalsContact O-N 3.15Å; S1569-S1573 VanDerWaalsContact O-CB 3.26Å; S1569-S1573 WeakPolarHBondContact O-CB 3.4Å; S1569-S1573 PolarHBondContact O-N 3.07Å; S1569-S1573 PolarHBondContact O-OG 2.99Å
1570T54.4Low54.9Low72 Ų7297.6 Ų97.644%0.44258%0.577SS.*Hα-helixtrans-75.8-42.4175.554.10000111.6L1566 E1567 L1572 S1573 L1574L1566-T1570 WeakPolarHBondContact O-CG2 3.33Å; L1566-T1570 PolarHBondContact O-N 3.31Å; L1566-T1570 PolarHBondContact O-OG1 3.13Å; L1566-T1570 VanDerWaalsContact O-OG1 3.1Å; E1567-T1570 WeakPolarHBondContact CA-OG1 3.37Å; E1567-T1570 PolarHBondContact O-OG1 3.16Å; T1570-L1572 VanDerWaalsContact C-N 3.28Å; T1570-L1572 PolarHBondContact O-N 2.79Å; T1570-S1573 CarbonylContact O-C 3.49Å; T1570-S1573 WeakPolarHBondContact O-CA 3.26Å; T1570-S1573 PolarHBondContact O-N 3.17Å; T1570-L1574 WeakPolarHBondContact O-CD1 3.46Å; T1570-L1574 PolarHBondContact O-N 3.43Å
1571A53.7Low53.6Low70 Ų7099.6 Ų99.658%0.57959%0.586SS**Hα-helixtrans-61.9-34175.300000112.9E1567 S1573E1567-A1571 WeakPolarHBondContact O-CB 3.34Å; E1567-A1571 PolarHBondContact O-N 3.35Å; A1571-S1573 VanDerWaalsContact C-N 3.31Å
1572L52.5Low52.1Low143 Ų143106.5 Ų106.575%0.74961%0.612SS**THydrogen-bonded Turntrans-81.2-6.2172.1-66.6170.8000113.7Q1568 T1570Q1568-L1572 WeakPolarHBondContact O-CB 3.48Å; Q1568-L1572 WeakPolarHBondContact O-CD1 3.45Å; Q1568-L1572 WeakPolarHBondContact O-CG 3.38Å; Q1568-L1572 PolarHBondContact O-N 3.09Å; T1570-L1572 VanDerWaalsContact C-N 3.28Å; T1570-L1572 PolarHBondContact O-N 2.79Å
1573S47.5Very low51Low86 Ų86108 Ų10860%0.60162%0.623SS**THydrogen-bonded Turntrans-108.4-10.1176.8-58.60000114.2S1569 T1570 A1571S1569-S1573 VanDerWaalsContact O-CB 3.26Å; S1569-S1573 WeakPolarHBondContact O-CB 3.4Å; S1569-S1573 PolarHBondContact O-N 3.07Å; S1569-S1573 PolarHBondContact O-OG 2.99Å; T1570-S1573 CarbonylContact O-C 3.49Å; T1570-S1573 WeakPolarHBondContact O-CA 3.26Å; T1570-S1573 PolarHBondContact O-N 3.17Å; A1571-S1573 VanDerWaalsContact C-N 3.31Å
1574L46.9Very low49.3Very low135 Ų135110 Ų11071%0.70764%0.635SS**  trans-101.810.4179.9-9284.8000114.2T1570 S1576T1570-L1574 WeakPolarHBondContact O-CD1 3.46Å; T1570-L1574 PolarHBondContact O-N 3.43Å; L1574-S1576 PolarHBondContact O-N 3.34Å
1575S41.9Very low47.6Very low109 Ų109116.5 Ų116.576%0.76266%0.658SS**  trans-74.831175.761.10000114.1
1576S40.3Very low46.4Very low85 Ų85116.5 Ų116.559%0.59467%0.667SS**SBendtrans-146.5107.2176.960.30000111.6L1574L1574-S1576 PolarHBondContact O-N 3.34Å
1577L38.1Very low44.6Very low157 Ų157118 Ų11882%0.82268%0.675SS**  trans71.8100.9169.3-47.2178.9000114.3
1578S35.3Very low43Very low94 Ų94121.5 Ų121.566%0.65769%0.691SS**  72.5134.87176.30000113.2
1579D35.5Very low41.4Very low129 Ų129123.5 Ų123.569%0.6971%0.706SS**  cis-167.514911.4-13333.7000111.7
1580N37.5Very low40.6Very low138 Ų138126 Ų12674%0.73872%0.724SS**  trans62.3150159-52.6-47.9000119.6
1581S38.9Very low39.7Very low113 Ų113129.6 Ų129.679%0.7974%0.74SS**  cis-166159.3-16.449.30000110.9
1582E35.6Very low38.7Very low185 Ų185132.3 Ų132.386%0.86475%0.745SS**  trans-82.4-165.5178.7-55.1176.1128.300111.4
1583P40.1Very low37.9Very low97 Ų97131.6 Ų131.663%0.6374%0.742SS**  cis-148.1-167.34.947.3-26.5000118.6
1584D37.7Very low37.1Very low131 Ų131133.7 Ų133.770%0.70175%0.751SS**  trans68.9115.2153.5-55.4-24.4000121.7
1585E38Very low36.4Very low175 Ų175133.5 Ų133.582%0.81876%0.755SS**  82.1150.894.7-64.8-164.2163.100114.1
1586V38.2Very low35.9Very low123 Ų123134.3 Ų134.375%0.74575%0.751SS**  cis-140.7174.821.8-164.80000110.7
1587D33.3Very low35.5Very low138 Ų138134.8 Ų134.874%0.73876%0.76SS**  trans-55.7170.6173.7-46.1-99.2000115.6
1588E36.4Very low35.1Very low189 Ų189133.8 Ų133.888%0.88376%0.755SS**  -145.8161.872.4-78-165.5141.600115.9
1589N31.5Very low35.1Very low155 Ų155136.5 Ų136.583%0.82976%0.762SS**PPolyproline II helixtrans-69.3132.7-176-83.8-74.3000114.3
1590S38.3Very low34.9Very low123 Ų123135.6 Ų135.686%0.8676%0.764SS**PPolyproline II helixtrans-86.7125.7-178.1-66.70000114
1591N36.3Very low34.4Very low146 Ų146136 Ų13678%0.78176%0.764SS**PPolyproline II helixtrans-96.9163.1170.5-85.2-56.6000112
1592N33.1Very low34Very low127 Ų127137.4 Ų137.468%0.67976%0.758SS**  trans74136.2147.4-81.240.4000122.9
1593D35.4Very low33.8Very low128 Ų128137.4 Ų137.468%0.68475%0.75SS**  trans60.3118.3141.3-50.2-30.7000119.6
1594V30.8Very low33.2Very low131 Ų131140.5 Ų140.579%0.79476%0.757SS**  77.1146.855.61790000112.6
1595V32.3Very low32.8Very low131 Ų131142.4 Ų142.479%0.79476%0.761SS**  trans82.1110-170.1-170.80000112.2
1596N30.4Very low32.6Very low126 Ų126142.8 Ų142.867%0.67476%0.763SS**  cis96.592.138.3-17839000114.4
1597A32.8Very low32.4Very low95 Ų95144.1 Ų144.179%0.78577%0.766SS**  trans-156.7107.215400000107.5
1598N29.6Very low32.6Very low135 Ų135141.9 Ų141.972%0.72276%0.759SS**  70.512366.7-72.9-29.9000115.4
1599N34.9Very low32.6Very low151 Ų151140.5 Ų140.581%0.80776%0.757SS**  trans-54.9153162.6-57.4-24.7000110.6
1600P31.7Very low32.6Very low111 Ų111138.1 Ų138.172%0.72175%0.752SS**  -118.7150.883.8-2.924.6000112.7
1601I27.2Very low32.3Very low147 Ų147143.3 Ų143.375%0.75475%0.753SS**  7014670-51.2163.8000112.4
1602E30Very low32.3Very low142 Ų142140.8 Ų140.866%0.66475%0.746SS**  trans83.3137.8176.6-47.8-163.8155.200115.9
1603R32Very low32.6Very low184 Ų184140.4 Ų140.469%0.69474%0.744SS**  cis-148.6142.5-16.1-101.2165.1-143.1176.77.8105.7
1604E27.9Very low32.5Very low163 Ų163140.4 Ų140.476%0.76274%0.744SS**  51.5132.793-73.8173.3149.700115.6
1605E29.4Very low33Very low171 Ų171140.8 Ų140.880%0.79974%0.742SS**  trans73.3142.3167.3-63155.1-170.800116.7
1606E33.4Very low33.3Very low183 Ų183141.8 Ų141.886%0.85574%0.743SS**  cis-155.9174.9-3.1-127.5173.8-176.500112.2
1607D33.9Very low33.6Very low151 Ų151142.9 Ų142.981%0.80775%0.748SS**  trans-77.8-175.9168.6-125-24.6000110.6
1608P38Very low33.8Very low91 Ų91145.2 Ų145.259%0.59174%0.743SS**  cis-126.5-177.6-34.339.6-26.4000111.4
1609N36.2Very low34.1Very low159 Ų159145.8 Ų145.885%0.8575%0.746SS**  trans-170.7143.6130.6-109.7-65.7000116.8
1610C30.6Very low34.3Very low105 Ų105146.6 Ų146.671%0.70974%0.743SS**  trans-81.1150.4-173.7-48.30000115.1
1611R33.4Very low34.2Very low233 Ų233148.9 Ų148.988%0.87974%0.744SS**  169.2119123.7-93.2160-175.8172.22.4110.3
1612S34.5Very low34.4Very low92 Ų92151.6 Ų151.664%0.64375%0.745SS**  83.2147.294.187.60000111.4
1613D39.3Very low34.6Very low119 Ų119152.4 Ų152.464%0.63675%0.748SS**  cis-140.6136.29.8-74.4-78.8000108
1614N35.4Very low34.4Very low128 Ų128148.5 Ų148.568%0.68475%0.749SS**  89.3167.590-56.9-15.1000114.9
1615D40Very low34.5Very low139 Ų139146 Ų14674%0.74375%0.749SS**  trans70.3115.3171.4-47.9-12.9000115.8
1616D38.2Very low34.6Very low153 Ų153145.5 Ų145.582%0.81875%0.747SS**  cis90.6144.146.7-72.87.9000112.4
1617D37.7Very low34.5Very low148 Ų148145.8 Ų145.879%0.79174%0.741SS**  cis-165.9-170.6-25.7-164.75000108.2
1618E37.7Very low34.5Very low144 Ų144147.2 Ų147.267%0.67374%0.743SS**  trans78.2129.4160.3-68.8-162120.200122.4K1620E1618-K1620 IonicContact OE1-NZ 2.66Å; E1618-K1620 PolarHBondContact OE1-NZ 3.22Å; E1618-K1620 IonicContact OE2-NZ 2.68Å; E1618-K1620 PolarHBondContact OE2-NZ 2.76Å
1619D35.3Very low34.1Very low148 Ų148148.2 Ų148.279%0.79175%0.747SS**  trans-69155.1158-72.5-73.6000113.8
1620K37.9Very low34Very low168 Ų168147.7 Ų147.773%0.7374%0.744SS**  trans-147.5147.3143.9-101111-146.3179.10113.8E1618E1618-K1620 IonicContact OE1-NZ 2.66Å; E1618-K1620 PolarHBondContact OE1-NZ 3.22Å; E1618-K1620 IonicContact OE2-NZ 2.68Å; E1618-K1620 PolarHBondContact OE2-NZ 2.76Å
1621Q31.2Very low33.9Very low158 Ų158148.8 Ų148.874%0.73874%0.743SS**  trans-111.6174.1-175.2-62175.3-12.300112.4
1622R31Very low34Very low205 Ų205145.5 Ų145.577%0.77474%0.737SS**  trans75.8156.7164.6-40.9171.2-171.7-171.31.3114.2
1623H33.7Very low33.8Very low159 Ų159148.7 Ų148.774%0.73674%0.742SS**  cis-137.6143.4-1.5-89.5-66.8000107.3
1624S28.4Very low33.7Very low101 Ų101148.4 Ų148.471%0.70675%0.745SS**  82.7129.666.9-162.30000116.6
1625S30.1Very low33.5Very low110 Ų110148.1 Ų148.177%0.76974%0.743SS**  trans70.6159.5172.877.20000117.3
1626H31.6Very low33.3Very low162 Ų162149.5 Ų149.575%0.7575%0.75SS**  cis-142.5-174.912-164.766.2000114
1627Y31.6Very low33.1Very low188 Ų188149.7 Ų149.774%0.73775%0.746SS**  trans-89.3154.6-170.1-76.7-109.6000116.3
1628Q33.3Very low33.1Very low181 Ų181148.3 Ų148.385%0.84674%0.743SS**  163.2126.7127.1-88.1164.1-14.200107.8
1629V28.9Very low32.8Very low112 Ų112145.8 Ų145.868%0.67974%0.741SS**  68.6102.752.1-177.90000112.6
1630D34.5Very low32.8Very low149 Ų149145 Ų14580%0.79774%0.736SS**  -163.8174.7123.3-119.5-39.1000113.7
1631N29.3Very low32.5Very low127 Ų127143.2 Ų143.268%0.67974%0.735SS**  trans-111.8-165.9-170.4-60.2-87000113.5
1632H34Very low32.7Very low164 Ų164142.4 Ų142.476%0.75973%0.731SS**  trans72.5151.3175.8-57.6-100.2000114.2
1633E31.9Very low32.7Very low160 Ų160137.7 Ų137.775%0.74872%0.722SS**  cis-158.7175.8-5.4-126.3164-131.700107.9
1634V35.8Very low32.5Very low113 Ų113136.7 Ų136.769%0.68572%0.721SS**  cis-150.4179.67.769.60000110
1635D31.2Very low32.8Very low122 Ų122137.5 Ų137.565%0.65272%0.722SS**  trans-67169.4177.4-49.3-90.7000116.1
1636D36.3Very low32.8Very low167 Ų167137.3 Ų137.389%0.89372%0.719SS**  -151.3158.9117.7-141.1-25.3000112
1637H34.8Very low32.7Very low157 Ų157135.8 Ų135.873%0.72772%0.717SS**  trans-113.1-156.5-154.1-116-74000115
1638V36Very low32.9Very low120 Ų120132.8 Ų132.873%0.72771%0.713SS**  trans8299.8177.1-174.30000114
1639S31.4Very low32.9Very low91 Ų91130.7 Ų130.764%0.63671%0.707SS**  63.3144.356.689.50000112.5
1640D35.4Very low33Very low130 Ų130129.4 Ų129.470%0.69570%0.703SS**  cis-143.3163.333.6-60.9-44.4000113.1
1641N32.4Very low32.8Very low131 Ų131126.7 Ų126.770%0.70170%0.696SS**  38.6144.4129.6-64.920.7000121.5
1642E34.3Very low33.2Very low141 Ų141127.9 Ų127.966%0.65970%0.697SS**  cis-168162.617.2-129.5167.6-11900114
1643N32.1Very low33.1Very low107 Ų107126 Ų12657%0.57269%0.692SS**  trans59.9115141.3-75-28.7000123.4
1644N30.4Very low33.1Very low137 Ų137125.2 Ų125.273%0.73369%0.692SS**  65.9154.7123.9-47.4-24.6000119.3
1645V34.4Very low33Very low119 Ų119126.1 Ų126.172%0.72169%0.692SS**  cis-131.31407.9-161.60000104.3
1646C28.8Very low33.2Very low105 Ų105127.5 Ų127.571%0.70969%0.694SS**  39.9134.682.3-56.10000111.8
1647D31Very low32.8Very low131 Ų131124.1 Ų124.170%0.70168%0.683SS**  cis-154.5-17525.6-63.8-75.3000108
1648D33.9Very low32.7Very low124 Ų124123.3 Ų123.366%0.66369%0.69SS**  cis-161.6168.65.8-140.9-17.2000112.9
1649I33.7Very low32.4Very low138 Ų138120.3 Ų120.371%0.70868%0.683SS**  trans28.3139.3141.9-77.5163.1000121.3
1650S31.3Very low32.5Very low85 Ų85123.2 Ų123.259%0.59469%0.69SS**  cis-175.9162.8-15.666.80000111.8
1651S31Very low32.3Very low92 Ų92123.8 Ų123.864%0.64369%0.693SS**  trans69.2162.2147.389.60000118.4
1652H37Very low32.4Very low152 Ų152126.2 Ų126.270%0.70470%0.7SS**  cis-147.8140.64.7-115.8-46000110.6
1653N32.6Very low32.3Very low124 Ų124126.5 Ų126.566%0.66371%0.706SS**  trans54.1146139.3-60.47.3000121.1
1654L31.7Very low32.4Very low143 Ų143127.3 Ų127.375%0.74972%0.715SS**  cis-162-175.5-9.4-100.4169.1000105.1
1655I34.2Very low32.4Very low133 Ų133128.6 Ų128.668%0.68272%0.716SS**  cis-156.3-17718.6-149.8160.9000111.4
1656H34Very low32.1Very low150 Ų150129.2 Ų129.269%0.69472%0.716SS**  trans-23.8138.5167.2-65.7-53.8000119.4
1657S29.1Very low32.3Very low96 Ų96131.3 Ų131.367%0.67172%0.719SS**  68.6145.552.782.20000113.5
1658T32.3Very low32.3Very low140 Ų140129.6 Ų129.686%0.85972%0.717SS**  cis-139.5-178.42350.40000110.4
1659G29.6Very low31.9Very low57 Ų57128.5 Ų128.559%0.58872%0.719SS**  cis141171.87.400000109.8
1660I34.1Very low31.7Very low153 Ų153129.6 Ų129.679%0.78573%0.726SS**  trans76.6109.1-171.2-48.3162.2000111.1
1661D30.4Very low31.6Very low142 Ų142133.4 Ų133.476%0.75973%0.734SS**  cis87.8161.922.4-47.4-60.7000115.6
1662E35.1Very low31.5Very low181 Ų181136.5 Ų136.585%0.84674%0.742SS**  trans73.2143.1-170-57.5177.8-162.800116.9
1663D31.8Very low31.1Very low147 Ų147134.4 Ų134.479%0.78675%0.745SS**  176.9-175.7-55.8-99.7-51.8000107.9
1664V34.4Very low30.8Very low125 Ų125138.2 Ų138.276%0.75876%0.756SS**  trans77.182.3161.9-162.40000118.6
1665E29.6Very low30.6Very low163 Ų163137.2 Ų137.276%0.76276%0.761SS**  54.4151.3121.2-57.8-170.4165.800125.5
1666N29.3Very low30.2Very low132 Ų132141.3 Ų141.371%0.70677%0.768SS**  trans104.1147.9133.1-84.6-37.3000123.5
1667I33Very low30Very low150 Ų150138.8 Ų138.877%0.76977%0.773SS**  trans76.475.4162.9-61.6151.4000118
1668S29.1Very low29.9Very low95 Ų95139.2 Ų139.266%0.66477%0.772SS**  44.6123.8123.967.10000123.3
1669S26.6Very low29.7Very low101 Ų101139.1 Ų139.171%0.70677%0.771SS**  trans56.7115.8134.364.40000121.6
1670N29.5Very low29.6Very low160 Ų160141.2 Ų141.286%0.85677%0.772SS**  -151.1166.3113.9-125-42.9000113.5
1671H29Very low29.3Very low165 Ų165140 Ų14076%0.76477%0.774SS**  trans-83.9141.2-167.2-71.5-123.8000114.2
1672L28.9Very low29.2Very low157 Ų157136.8 Ų136.882%0.82277%0.767SS**  179.5130.2120.5-96158.5000114.4K1674L1672-K1674 PolarHBondContact O-N 3.34Å
1673S28.7Very low28.7Very low108 Ų108140.2 Ų140.276%0.75577%0.772SS**  trans1491.3158.858.30000120.4S1675S1673-S1675 PolarHBondContact O-N 3.47Å
1674K27Very low28.6Very low204 Ų204136.7 Ų136.789%0.88777%0.771SS**  trans-88.693.1163.5-77.6176.5178.2165.40112.4L1672 R1676L1672-K1674 PolarHBondContact O-N 3.34Å; K1674-R1676 VanDerWaalsContact C-N 3.35Å; K1674-R1676 PolarHBondContact O-N 3.43Å
1675S27.8Very low28.2Very low123 Ų123142.1 Ų142.186%0.8678%0.778SS**  trans-8672.3165.465.10000111.5S1673 A1677S1673-S1675 PolarHBondContact O-N 3.47Å; S1675-A1677 PolarHBondContact O-N 3.25Å; S1675-A1677 VanDerWaalsContact O-N 3.17Å
1676R25.9Very low28.1Very low218 Ų218142.1 Ų142.182%0.82378%0.778SS**  trans-83.186.2-175.2-170.4-177-171.1178.54.6112K1674 T1678K1674-R1676 VanDerWaalsContact C-N 3.35Å; K1674-R1676 PolarHBondContact O-N 3.43Å; R1676-T1678 HydrophobicContact CG-CG2 4.32Å
1677A29Very low28Very low97 Ų97141.6 Ų141.680%0.80278%0.779SS**  trans-103.381.5173.100000111.3S1675 V1679S1675-A1677 PolarHBondContact O-N 3.25Å; S1675-A1677 VanDerWaalsContact O-N 3.17Å; A1677-V1679 PolarHBondContact O-N 3.41Å
1678T26.1Very low27.7Very low106 Ų106140.1 Ų140.165%0.6577%0.773SS**  trans-69.912317646.40000111.6R1676R1676-T1678 HydrophobicContact CG-CG2 4.32Å
1679V28.1Very low27.8Very low138 Ų138141.4 Ų141.484%0.83678%0.779SS**  trans-12284.2162.9-173.60000109.2A1677A1677-V1679 PolarHBondContact O-N 3.41Å
1680T27.4Very low27.8Very low100 Ų100142.6 Ų142.661%0.61378%0.776SS**  trans-63.9146.815442.50000109.1A1682T1680-A1682 PolarHBondContact O-N 2.87Å
1681P27.9Very low27.7Very low129 Ų129139.9 Ų139.984%0.83877%0.769SS**  trans-71.571158.231.7-33.1000108.4W1683P1681-W1683 PolarHBondContact O-N 3.37Å
1682A28.4Very low27.6Very low73 Ų73138.2 Ų138.260%0.60376%0.762SS**  trans-65.2131.6-17400000110.9T1680 G1684T1680-A1682 PolarHBondContact O-N 2.87Å; A1682-G1684 VanDerWaalsContact C-N 3.27Å; A1682-G1684 PolarHBondContact O-N 3.17Å
1683W26.2Very low27.6Very low253 Ų253142.6 Ų142.696%0.95877%0.768SS**  trans-68.284.8168.8-82.326.4000110.2P1681 R1685P1681-W1683 PolarHBondContact O-N 3.37Å; W1683-R1685 PolarHBondContact O-N 3.11Å
1684G28.8Very low27.6Very low74 Ų74148.8 Ų148.876%0.76378%0.775SS**  trans-68.183-179.600000113.3A1682 Q1686A1682-G1684 VanDerWaalsContact C-N 3.27Å; A1682-G1684 PolarHBondContact O-N 3.17Å; G1684-Q1686 PolarHBondContact O-N 3.48Å
1685R25.7Very low27.7Very low239 Ų239144.8 Ų144.890%0.90277%0.772SS**  trans-62.8111.5169.9-69.4179.6173.1-170.7-0.3111.1W1683W1683-R1685 PolarHBondContact O-N 3.11Å
1686Q27.9Very low27.9Very low163 Ų163143.3 Ų143.376%0.76277%0.767SS**  trans-170.6136.8160.5-107173.645.800108.3G1684G1684-Q1686 PolarHBondContact O-N 3.48Å
1687V27.7Very low28.2Very low121 Ų121141.4 Ų141.473%0.73377%0.772SS**  cis-134.3147-1.4167.80000108.9P1689V1687-P1689 WeakPolarHBondContact O-CD 3.45Å
1688N25.9Very low28.2Very low119 Ų119146.1 Ų146.164%0.63678%0.775SS**  trans-86.3117.6173.9-158.84.9000110.4I1690N1688-I1690 VanDerWaalsContact ND2-CD1 3.27Å; N1688-I1690 WeakPolarHBondContact ND2-CD1 3.38Å; N1688-I1690 PolarHBondContact O-N 3.08Å
1689P31.9Very low28.6Very low121 Ų121152.3 Ų152.379%0.78679%0.787SS**  trans-81.263.817634.6-35000111.1V1687V1687-P1689 WeakPolarHBondContact O-CD 3.45Å
1690I25.9Very low28.8Very low127 Ų127150.4 Ų150.465%0.65178%0.779SS**  trans-93.5142.7167.8-66.6-177.1000108.7N1688N1688-I1690 VanDerWaalsContact ND2-CD1 3.27Å; N1688-I1690 WeakPolarHBondContact ND2-CD1 3.38Å; N1688-I1690 PolarHBondContact O-N 3.08Å
1691S26.8Very low29Very low102 Ų102152.6 Ų152.671%0.71379%0.787SS**SBendtrans70.6140.3-162.184.60000113.8
1692Q28.8Very low29.1Very low131 Ų131155 Ų15561%0.61279%0.787SS**  trans126.616.8168.954.8177.4-25.900117Q1505Q1505-Q1692 VanDerWaalsContact CD-CD 3.46Å; Q1505-Q1692 VanDerWaalsContact OE1-CG 3.26Å
1693R28.7Very low29.3Very low249 Ų249156 Ų15694%0.9479%0.789SS**  trans-13971.7152-77.5-160.4173.4-177-2.4112.7
1694R27.2Very low29.6Very low238 Ų238150.7 Ų150.790%0.89878%0.778SS**  trans-81.3150147.6-96.5-176.7171174.6-2.2107.8
1695S30.4Very low29.8Very low119 Ų119152.4 Ų152.483%0.83277%0.773SS**  trans62.8137.4-175.787.10000114.8
1696A31.4Very low30.1Very low92 Ų92147.6 Ų147.676%0.7677%0.766SS**  cis-148.1134.9-1.500000111.8
1697L32.4Very low30.5Very low178 Ų178146.4 Ų146.493%0.93277%0.765SS**  trans-165.298.8140-110164.9000108.8
1698K29.7Very low30.8Very low197 Ų197146.4 Ų146.486%0.85776%0.761SS**  trans-82134.1170.2-80.3-177.2171.8-1770109.3
1699R32.7Very low31.3Very low236 Ų236146.3 Ų146.389%0.89176%0.76SS**  trans156.4104.5150.9-89.8156.8-169-176.63.1107.1
1700S33Very low31.4Very low98 Ų98146.6 Ų146.669%0.68576%0.755SS**  90.6130.283.5670000110.9
1701L31.7Very low31.9Very low146 Ų146146.4 Ų146.476%0.76476%0.755SS**  cis-129.6168.41.1-69.396.8000107.9
1702Q29.3Very low32.4Very low180 Ų180147.4 Ų147.484%0.84176%0.757SS**  47.6133.461.6-86.7171.9-20.500112.5
1703S32.5Very low32.7Very low93 Ų93147.1 Ų147.165%0.6576%0.76SS**  cis-166.8-172.510.153.10000110.9
1704I33.6Very low33Very low142 Ų142142.9 Ų142.973%0.72875%0.751SS**  trans76.6118.4164.4-60.7155.9000115
1705T31.8Very low33.4Very low109 Ų109137.8 Ų137.867%0.66974%0.741SS**  cis114.5132.88.665.40000114.5
1706N33.8Very low33.5Very low139 Ų139139 Ų13974%0.74374%0.736SS**  trans100139.5150.1-65.9-6.7000122.1
1707N34.6Very low33.7Very low137 Ų137141.1 Ų141.173%0.73374%0.74SS**  trans78.3145.8151.7-66-13000121.3
1708N35.6Very low33.7Very low122 Ų122138.7 Ų138.765%0.65273%0.728SS**  cis-170.1160.1-40.4-123.5-8.9000112.3
1709N35.1Very low34.2Very low117 Ų117133.1 Ų133.163%0.62673%0.726SS**  trans69.1134.3144.7-69.5-2.2000123.7
1710N35Very low34.1Very low126 Ų126131 Ų13167%0.67472%0.723SS**  trans74.1147.9139.1-62.4-2.5000120
1711N36.5Very low34.4Very low124 Ų124130.6 Ų130.666%0.66373%0.726SS**  cis-167.6176.9-17.4-107.3-17.8000110.4
1712T35.8Very low34.6Very low122 Ų122132.5 Ų132.575%0.74873%0.728SS**  trans70.4152161.665.40000119.3
1713N35.4Very low34.9Very low125 Ų125133 Ų13367%0.66873%0.728SS**  cis-171.4158.3-32.5-105.3-10.4000110.5
1714Q35.9Very low35.1Very low161 Ų161140 Ų14075%0.75274%0.74SS**  trans66.6148145.9-76.1169.8-3.800119.2
1715L34.2Very low35Very low131 Ų131142.9 Ų142.969%0.68675%0.747SS**  cis-143.4144.1-4.3-88.1136.4000108.2
1716I32.8Very low35.1Very low143 Ų143149.2 Ų149.273%0.73377%0.774SS**  51.1122.991.8-46.3-171000113.2
1717V36.5Very low35.2Very low138 Ų138149.8 Ų149.884%0.83678%0.776SS**  -157.1154.377.1169.30000113.5
1718D32.9Very low35.2Very low127 Ų127150.4 Ų150.468%0.67978%0.778SS**  trans-66.5166.2177.7-87.1-93.4000118.4
1719G39.8Very low35.2Very low80 Ų80152 Ų15283%0.82579%0.785SS**  trans-164.583.616400000115.1
1720K30.8Very low35.2Very low190 Ų190154.1 Ų154.183%0.82680%0.795SS**  trans-100.3120.9-175.1-68.6174.4-176.3164.60114.9
1721A38.3Very low35.2Very low91 Ų91155.8 Ų155.875%0.75280%0.802SS**  trans-167.6152.4156.200000110.7
1722K36.2Very low35.1Very low186 Ų186157.9 Ų157.981%0.80981%0.811SS**  cis-163.6149.1-18.1-111.5171.4-175.6168.20107.4
1723K35.3Very low35.1Very low190 Ų190160.5 Ų160.583%0.82682%0.816SS**  trans27.3123.3150.2-59.2-179177.4-175.20117.8
1724R36Very low35.1Very low241 Ų241163.2 Ų163.291%0.90983%0.827SS**  -165.616364.5-119.6164.6-179.3161.6-3.2111.8
1725K32.8Very low35Very low202 Ų202163.4 Ų163.488%0.87883%0.833SS**  trans-47.3142167.2-55.1176.6176.8-173.30110.1
1726I34.2Very low35.1Very low242 Ų242166.4 Ų166.4100%1.24185%0.847SS**  cis-127.2049.2-75.3165.8000111.4

Retrieved 1,726 of 1,726 residues in 1421.5 ms (Link to these results)

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