A0A096MKF8_RAT Loading...

Mediator complex subunit 12

AlphaFold DB , UniProt , Accession A0A096MKF8, Species RAT (Rattus norvegicus, Rat), Gene Med12, Length 2,190 aa.

>A0A096MKF8_RAT|A0A096MKF8|Med12
MAAFGILSYEHRPLKRLRLGPPDVYPQDPKQKEDELTALNVKQGFNNQPAVSGDEHGSAKNVNFNPAKISSNFSSIIAEKLRCNTLSDTGRRKSLMNQKDNFWLVTARSQSAINTWFTDLAGTKPLTHLAKKVPIFSKKEEVFGYLAKYTVPVMRAAWLIKMTCAYYAAMSETKVKKKNTADPFTEWTQIITKYLWEQLQKMAEYYRPGPAGSGVCGSAIGPLPHDVEMAIRQWDYNEKLALFMFQDGMLDRHEFLTWVLECFEKIRPGEDELLKLLLPLLLRYSGEFVQSAYLSRRLAYFCTRRLALQLDGVNSHSSHVISAQSTSSLPTTPAPQPPTSNTPSTPFSDLLMCPQHRPLVFGLSCILQTILLCCPSALVWHYSLTDSRIKTGSPLDHLPIAPSNLPMPEGNSAFTQQVRAKLREIEQQIKERGQAVEVRWSFDKCQEATAGFTIGRVLHTLEVLDSHSFERSDFSNSLDSLCNRIFGLGPSKDGHEISSDDDAVVSLLCEWAVSCKRSGRHRAMVVAKLLEKRQAEIEAERCGESEAADEKGSVASGSLSAPSAPIFQDVLLQFLDTQAPMLTDPRSESERVEFFNLVLLFCELIRHDVFSHNMYTCTLISRGDLAFGTPGPRPPSPFDDPADDPERKEAEGSSSSKLEDPGLSESMDIDPSSSVLFEDMEKPDFSLFSPTMPCEGKGSPSPEKPDVEKDVKPPPKEKIEGTLGILYDQPRHVQYATHFPIPQEESCSHECNQRLVVLFGVGKQRDDARHAIKKITKDILKVLNRKGTAETDQLAPIVPLNPGDLTFLGGEDGQKRRRNRPEAFPTAEDIFAKFQHLSHYDQHQVTAQVSRNVLEQITSFALGMSYHLPLVQHVQFVFDLMEYSLSISGLIDFAIQLLNELSVVEAELLLKSSDLVGSYTTSLCLCIVAVLRHYHACLILNQDQMAQVFEGLCGVVKHGMNRSDGSSAERCILAYLYDLYTSCSHLKSKFGELFSDFCSKVKNTIYCNVEPSESNMRWAPEFMIDTLENPAAHTFTYTGLGKSLSENPANRYSFVCNALMHVCVGHHDPDRVNDIAILCAELTGYCKSLSAEWLGVLKALCCSSNNGTCGFNDLLCNVDVSDLSFHDSLATFVAILIARQCLLLEDLIRCAAIPSLLNAACSEQDSEPGARLTCRILLHLFKTPQLNPCQSDGNKPTVGIRSSCDRHLLAASQNRIVDGAVFAVLKAVFVLGDAELKGSGFTVPGGTEELPEEEGGGGSSGRRQGGRNISVETASLDVYAKYVLRSICQQEWVGERCLKSLCEDSNDLQDPVLSSAQAQRLMQLICYPHRLLDSEDGENPQRQRIKRILKNLDQWTMRQSSLELQLMIKQTPNTEMNSLLENIAKATIEVFQQSAETGSSSGSTASNMPSSSKAKPVLSSLERSGVWLVAPLIAKLPTSVQGHVLKAAGEELEKGQHLGSSSRKERDRQKQKSMSLLSQQPFLSLVLTCLKGQDEQREGLLASLHSQVHQIVINWRENQYLDDCKPKQLMHEALKLRLNLVGGMFDTVQRSTQQTTEWAQLLLEIIISGTVDMQSNNELFTTVLDMLSVLINGTLAADMSSISQGSMEENKRAYMNLVKKLQKDLGERQSDSLEKVHQLLPLPKQNRDVITCEPQGSLIDTKGNKIAGFDSIFKKEGLQVSTKQKISPWELFEGLKPSTAPLSWAWFGTVRVDRRVARGEEQQRLLLYHTHLRPRPRAYYLEPLPLPPEDEEPPAPALLEPEKKAPEPPKTDKPGTAPPSTEERKKKSTKGKKRSQPATKSEDYGMGPGRSGPYGVTVPPDLLHHANPGSISHLSYRQSSMGLYTQNQPLPAGGPRVDPYRPVRLPMQKLPTRPTYPGVLPTTMTTVMGLEPSSYKTSVYRQQQPTVPQGQRLRQQLQAKIQSQGMLGQSSVHQMTPSSSYGLQSSQGYTSYVSHVGLQQHTGPAGTMVPPSYSSQPYQSTHPSTNPTLVDPTRHLQQRPSGYVHQQAPTYGHGLTSTQRFSHQTLQQTPMMGTMTPLSAQGVQAGVRSTSILPEQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQQYHIRQQQQQQQILRQQQQQQQQQQQQQQQQQQQQQQQPQQQQPHQQQQQAAPPQPQPQSQPQFQRQGLQQTQQQQQTAALVRQLQQQLSNTQPQPSTNIFGRY
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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
1M32.8Very low41.5Very low196 Ų196125.6 Ų125.697%0.96671%0.708SS**  0122.20-64.9167.1178.900107.5N72M1-N72 HydrophobicContact CE-CB 4.37Å
2A28.3Very low42.6Very low112 Ų112124.1 Ų124.193%0.92668%0.683SS**  trans-135.420.6-17200000113.8
3A34.6Very low43.2Very low86 Ų86123.5 Ų123.571%0.71169%0.689SS**  trans-117-13-166.400000115.6G5A3-G5 VanDerWaalsContact C-N 3.31Å; A3-G5 PolarHBondContact O-N 2.9Å
4F39.7Very low43.9Very low201 Ų201125.3 Ų125.388%0.88270%0.695SS**  trans-94.445.9-177.7-78.1-80.8000112.9
5G37.5Very low44.1Very low76 Ų76130.6 Ų130.678%0.78471%0.708SS**  trans-91.1-1.717800000114.8A3A3-G5 VanDerWaalsContact C-N 3.31Å; A3-G5 PolarHBondContact O-N 2.9Å
6I38Very low44.4Very low137 Ų137136.3 Ų136.370%0.70372%0.716SS**  trans-130.5101.8-173.1-52.8172.8000108.2
7L41.5Very low44.8Very low151 Ų151138.7 Ų138.779%0.79173%0.728SS**  trans-170.471158.4-107.4164.6000109.6
8S47.4Very low45.2Very low68 Ų68139.8 Ų139.848%0.47672%0.721SS.*  trans-135.1121.8160.2174.90000106.6E10 H11S8-E10 PolarHBondContact O-N 3.28Å; S8-H11 PolarHBondContact O-N 3.46Å
9Y50Low45.5Very low131 Ų131137.3 Ų137.351%0.51471%0.709SS.*THydrogen-bonded Turntrans-63.8-11.8-169.9-157.9-104.5000113.8N47 Q48Y9-N47 WeakPolarHBondContact CE1-OD1 3.45Å; Y9-N47 VanDerWaalsContact CZ-OD1 3.26Å; Y9-N47 PolarHBondContact OH-OD1 3.25Å; Y9-Q48 PolarHBondContact OH-O 3.12Å
10E55.9Low46.1Very low55 Ų55132.3 Ų132.326%0.25769%0.692SS.*THydrogen-bonded Turntrans-110.99.3177-63.4-160.1144.700114.8S8 R12 K32S8-E10 PolarHBondContact O-N 3.28Å; E10-R12 HydrophobicContact CB-CG 4.08Å; E10-R12 PolarHBondContact O-N 3.49Å; E10-R12 IonicContact OE1-NH2 3.29Å; E10-R12 IonicContact OE2-CZ 2.76Å; E10-R12 IonicContact OE2-NE 2.7Å; E10-R12 PolarHBondContact OE2-NE 3.49Å; E10-R12 IonicContact OE2-NH2 3.95Å; E10-R12 PolarHBondContact OE2-NH2 3.15Å; E10-K32 PolarHBondContact OE1-N 3.47Å
11H51.5Low46.7Very low169 Ų169130.2 Ų130.278%0.78269%0.687SS**  trans55.215.4-178.9-77.3-84000116.1S8S8-H11 PolarHBondContact O-N 3.46Å
12R54.5Low47.6Very low107 Ų107126.8 Ų126.840%0.40468%0.679SS.*  trans-74.4129.8-178.5-58.5-166.7-162.4-153.34.5111.7E10 D28 K30E10-R12 HydrophobicContact CB-CG 4.08Å; E10-R12 PolarHBondContact O-N 3.49Å; E10-R12 IonicContact OE1-NH2 3.29Å; E10-R12 IonicContact OE2-CZ 2.76Å; E10-R12 IonicContact OE2-NE 2.7Å; E10-R12 PolarHBondContact OE2-NE 3.49Å; E10-R12 IonicContact OE2-NH2 3.95Å; E10-R12 PolarHBondContact OE2-NH2 3.15Å; R12-D28 IonicContact CZ-OD2 3.73Å; R12-D28 IonicContact NH1-OD2 3.32Å; R12-D28 PolarHBondContact NH1-OD2 2.97Å; R12-K30 PolarHBondContact NH2-O 3.46Å
13P49.6Very low48.9Very low117 Ų117128.6 Ų128.676%0.7667%0.673SS**  trans-76.9132.3179.929.3-34.4000112.9K15P13-K15 PolarHBondContact O-N 3.32Å
14L53.1Low50.1Low148 Ų148128 Ų12878%0.77566%0.66SS**SBendtrans-59.7-3.6-173.6-71.5164.1000117.1R16 L19L14-R16 PolarHBondContact O-N 3.24Å; L14-L19 HydrophobicContact CD2-CD1 3.79Å
15K46.6Very low51.3Low205 Ų205127.1 Ų127.189%0.89165%0.652SS**  trans-91.150.7-171.4-77.3-174.4171.1178.50114.6P13P13-K15 PolarHBondContact O-N 3.32Å
16R49.4Very low52.6Low221 Ų221127 Ų12783%0.83464%0.638SS**SBendtrans-140143.8171.8-77.8-171.5172.3166.3-0.6114.6L14 R18L14-R16 PolarHBondContact O-N 3.24Å; R16-R18 PolarHBondContact O-N 3.31Å
17L50.8Low54Low178 Ų178127.3 Ų127.393%0.93264%0.636SS**THydrogen-bonded Turntrans-68.841.6-175.9-72136.3000115.5
18R51.7Low55.1Low158 Ų158122.8 Ų122.860%0.59661%0.613SS**THydrogen-bonded Turntrans-144-6.1-177.8-103-167.8-178.4-172.11.4117.3R16R16-R18 PolarHBondContact O-N 3.31Å
19L51.5Low56Low93 Ų93125 Ų12549%0.48763%0.626SS.*  trans-66.9150.4161.5-70.1166.5000109.2L14 Y25L14-L19 HydrophobicContact CD2-CD1 3.79Å; L19-Y25 HydrophobicContact CD2-CD1 4.04Å; L19-Y25 HydrophobicContact CD2-CE1 4.34Å
20G58.8Low56.9Low36 Ų36126.2 Ų126.237%0.37163%0.634SS.*  trans-77.7-158.8178.300000112.6V24G20-V24 WeakPolarHBondContact CA-O 3.36Å; G20-V24 PolarHBondContact N-O 3.01Å
21P56.8Low57.8Low90 Ų90125.3 Ų125.358%0.58463%0.629SS**SBendtrans-50.1161.9154.9-24.133.6000112.2V24P21-V24 HydrophobicContact CB-CB 4.34Å; P21-V24 HydrophobicContact CB-CG2 3.99Å; P21-V24 HydrophobicContact CG-CB 4.46Å; P21-V24 HydrophobicContact CG-CG2 4.2Å; P21-V24 WeakPolarHBondContact O-CB 3.41Å; P21-V24 PolarHBondContact O-N 3Å
22P53.3Low58.6Low123 Ų123122.1 Ų122.180%0.79961%0.614SS**THydrogen-bonded Turntrans-48.8144.1163.8-25.235.5000111.4V24P22-V24 PolarHBondContact O-N 3.11Å; P22-V24 VanDerWaalsContact O-N 3.16Å
23D55.6Low59.4Low150 Ų150121.6 Ų121.680%0.80262%0.615SS**THydrogen-bonded Turntrans57.411.8-170.2-63.3-24.7000116.8
24V58.4Low60.6Low73 Ų73119.3 Ų119.344%0.44260%0.597SS.*  trans-11696.7174.3-174.60000111G20 P21 P22 P26G20-V24 WeakPolarHBondContact CA-O 3.36Å; G20-V24 PolarHBondContact N-O 3.01Å; P21-V24 HydrophobicContact CB-CB 4.34Å; P21-V24 HydrophobicContact CB-CG2 3.99Å; P21-V24 HydrophobicContact CG-CB 4.46Å; P21-V24 HydrophobicContact CG-CG2 4.2Å; P21-V24 WeakPolarHBondContact O-CB 3.41Å; P21-V24 PolarHBondContact O-N 3Å; P22-V24 PolarHBondContact O-N 3.11Å; P22-V24 VanDerWaalsContact O-N 3.16Å; V24-P26 WeakPolarHBondContact O-CD 3.49Å
25Y66Low61.5Low183 Ų183117.3 Ų117.372%0.71858%0.584SS**  trans-9898.2173.8-59.8-83.4000109.7L19L19-Y25 HydrophobicContact CD2-CD1 4.04Å; L19-Y25 HydrophobicContact CD2-CE1 4.34Å
26P64.9Low62.8Low73 Ų73114.6 Ų114.647%0.47458%0.578SS.*  trans-71.3134.5176.129.7-34.4000110.6V24 D28V24-P26 WeakPolarHBondContact O-CD 3.49Å; P26-D28 PolarHBondContact O-N 2.74Å
27Q65.9Low64Low144 Ų144107.1 Ų107.167%0.67356%0.557SS**  trans-57.7131.4-178.7-157.8178.75.700111.5Q31Q27-Q31 VanDerWaalsContact CA-OE1 3.24Å; Q27-Q31 VanDerWaalsContact CG-OE1 3.27Å
28D66.1Low65.3Low57 Ų57102.5 Ų102.531%0.30554%0.544SS..  trans-115.3126.4179.1-174.136.2000107.4R12 P26 K30 Q31R12-D28 IonicContact CZ-OD2 3.73Å; R12-D28 IonicContact NH1-OD2 3.32Å; R12-D28 PolarHBondContact NH1-OD2 2.97Å; P26-D28 PolarHBondContact O-N 2.74Å; D28-K30 PolarHBondContact O-N 3.09Å; D28-Q31 PolarHBondContact O-N 3.18Å; D28-Q31 PolarHBondContact O-OE1 3.1Å
29P66.3Low66.5Low115 Ų115100 Ų10075%0.74754%0.543SS*.SBendtrans-73.744.6-173.931.5-38.4000113.8
30K68.4Low67.8Low155 Ų15597.6 Ų97.667%0.67453%0.53SS*.  trans-155.538.9175.3-66.3-160.1173.1-153.50109.2R12 D28R12-K30 PolarHBondContact NH2-O 3.46Å; D28-K30 PolarHBondContact O-N 3.09Å
31Q74.2Confident68.6Low36 Ų36100.5 Ų100.517%0.16854%0.541CS..  trans-86.9150167.4-80.9168.4-120.700109.5Q27 D28 E33 D34 E35Q27-Q31 VanDerWaalsContact CA-OE1 3.24Å; Q27-Q31 VanDerWaalsContact CG-OE1 3.27Å; D28-Q31 PolarHBondContact O-N 3.18Å; D28-Q31 PolarHBondContact O-OE1 3.1Å; Q31-E33 HydrophobicContact CB-CG 3.91Å; Q31-E33 WeakPolarHBondContact CB-OE2 3.5Å; Q31-E33 PolarHBondContact NE2-OE1 3.3Å; Q31-E33 PolarHBondContact NE2-OE2 3.44Å; Q31-E33 PolarHBondContact O-N 3.47Å; Q31-E33 VanDerWaalsContact O-N 3.17Å; Q31-D34 PolarHBondContact O-N 3.15Å; Q31-E35 PolarHBondContact O-N 3.06Å
32K68.7Low69.7Low103 Ų103105.1 Ų105.145%0.44855%0.551SS.*THydrogen-bonded Turntrans-62-22-179.9-73.3-177.1173.3179.80114.4E10 F45E10-K32 PolarHBondContact OE1-N 3.47Å; K32-F45 HydrophobicContact CB-CE2 3.93Å; K32-F45 HydrophobicContact CB-CZ 4.23Å
33E72.3Confident70.9Confident95 Ų95106.4 Ų106.444%0.44455%0.547SS..THydrogen-bonded Turntrans-70.1-30.617367.8-138.3-119.800113Q31 F45Q31-E33 HydrophobicContact CB-CG 3.91Å; Q31-E33 WeakPolarHBondContact CB-OE2 3.5Å; Q31-E33 PolarHBondContact NE2-OE1 3.3Å; Q31-E33 PolarHBondContact NE2-OE2 3.44Å; Q31-E33 PolarHBondContact O-N 3.47Å; Q31-E33 VanDerWaalsContact O-N 3.17Å; E33-F45 HydrophobicContact CB-CD1 4.15Å; E33-F45 HydrophobicContact CB-CE1 4.17Å; E33-F45 HydrophobicContact CB-CG 4.38Å; E33-F45 HydrophobicContact CB-CZ 4.43Å
34D73.9Confident71.9Confident69 Ų69101.3 Ų101.337%0.36953%0.529SS..THydrogen-bonded Turntrans-82.8-12.9177.6-61.2-44.7000112.4Q31 L36Q31-D34 PolarHBondContact O-N 3.15Å; D34-L36 PolarHBondContact O-N 3.32Å
35E71.4Confident72.9Confident106 Ų106102.1 Ų102.150%0.49553%0.527SS..  trans-75.290.3178.5-68.1-171154.800110.2Q31 T37 N40Q31-E35 PolarHBondContact O-N 3.06Å; E35-T37 HydrophobicContact CB-CG2 4.44Å; E35-T37 PolarHBondContact O-N 3.12Å; E35-N40 PolarHBondContact O-ND2 2.71Å
36L73.9Confident73.2Confident148 Ų14899.5 Ų99.578%0.77553%0.526SS*.  trans-6754.7177.4-62.4174.7000113.4D34 V41D34-L36 PolarHBondContact O-N 3.32Å; L36-V41 HydrophobicContact CB-CG2 4.02Å; L36-V41 HydrophobicContact CD2-CG2 4.01Å
37T74.9Confident73.4Confident64 Ų64100.7 Ų100.739%0.39353%0.528SS..  trans-66.3151.117170.30000110.4E35 L39 N40 V41E35-T37 HydrophobicContact CB-CG2 4.44Å; E35-T37 PolarHBondContact O-N 3.12Å; T37-L39 PolarHBondContact O-N 3.12Å; T37-N40 PolarHBondContact O-N 3.49Å; T37-N40 VanDerWaalsContact O-N 3.11Å; T37-N40 PolarHBondContact OG1-N 2.98Å; T37-N40 PolarHBondContact OG1-ND2 2.97Å; T37-V41 WeakPolarHBondContact O-CG2 3.35Å; T37-V41 PolarHBondContact O-N 3.17Å
38A78.8Confident73.4Confident81 Ų81100.3 Ų100.367%0.66953%0.526SS*.THydrogen-bonded Turntrans-61.6-14.6-179.900000114.2K42A38-K42 WeakPolarHBondContact O-CB 3.21Å; A38-K42 WeakPolarHBondContact O-CG 3.44Å
39L75.8Confident73.2Confident107 Ų107101.6 Ų101.656%0.5654%0.537SS*.THydrogen-bonded Turntrans-79.8-56.7170.7-164.978.2000110.5T37 V41 K42 Q43T37-L39 PolarHBondContact O-N 3.12Å; L39-V41 VanDerWaalsContact C-N 3.26Å; L39-V41 PolarHBondContact O-N 3.05Å; L39-K42 PolarHBondContact O-N 2.89Å; L39-Q43 PolarHBondContact O-N 2.94Å
40N78.5Confident73.1Confident41 Ų4199.5 Ų99.522%0.21953%0.53CS..Hα-helixtrans-56.6-39.4-179.4-65.7-9.2000112.1E35 T37 K42 G44E35-N40 PolarHBondContact O-ND2 2.71Å; T37-N40 PolarHBondContact O-N 3.49Å; T37-N40 VanDerWaalsContact O-N 3.11Å; T37-N40 PolarHBondContact OG1-N 2.98Å; T37-N40 PolarHBondContact OG1-ND2 2.97Å; N40-K42 VanDerWaalsContact C-N 3.35Å; N40-K42 PolarHBondContact O-N 3.43Å; N40-G44 CarbonylContact O-C 3.56Å; N40-G44 WeakPolarHBondContact O-CA 3.47Å; N40-G44 PolarHBondContact O-N 2.7Å
41V77.1Confident72.8Confident98 Ų9896.9 Ų96.959%0.59453%0.527SS*.Hα-helixtrans-70.3-27.8178.4176.40000112.8L36 T37 L39L36-V41 HydrophobicContact CB-CG2 4.02Å; L36-V41 HydrophobicContact CD2-CG2 4.01Å; T37-V41 WeakPolarHBondContact O-CG2 3.35Å; T37-V41 PolarHBondContact O-N 3.17Å; L39-V41 VanDerWaalsContact C-N 3.26Å; L39-V41 PolarHBondContact O-N 3.05Å
42K80.1Confident72Confident186 Ų186101.3 Ų101.381%0.80956%0.562SS**Hα-helixtrans-92.7-27.9-179.2-77.3-173.2175.9-173.80114.5A38 L39 N40A38-K42 WeakPolarHBondContact O-CB 3.21Å; A38-K42 WeakPolarHBondContact O-CG 3.44Å; L39-K42 PolarHBondContact O-N 2.89Å; N40-K42 VanDerWaalsContact C-N 3.35Å; N40-K42 PolarHBondContact O-N 3.43Å
43Q78.2Confident71.6Confident151 Ų151100.2 Ų100.271%0.70658%0.579SS**Hα-helixtrans-116.1-8.2-172.5-64.4-177.4-19.500113.4L39L39-Q43 PolarHBondContact O-N 2.94Å
44G76.2Confident71.1Confident42 Ų42100.9 Ų100.943%0.43359%0.586SS.*  trans78.5158.1-166.400000111.9N40 N46N40-G44 CarbonylContact O-C 3.56Å; N40-G44 WeakPolarHBondContact O-CA 3.47Å; N40-G44 PolarHBondContact O-N 2.7Å; G44-N46 PolarHBondContact O-N 3Å
45F79.4Confident70.7Confident91 Ų91103.6 Ų103.640%0.39960%0.597SS.*  trans-79.5117.5171.2-179.5-100.8000109.4K32 E33 N47K32-F45 HydrophobicContact CB-CE2 3.93Å; K32-F45 HydrophobicContact CB-CZ 4.23Å; E33-F45 HydrophobicContact CB-CD1 4.15Å; E33-F45 HydrophobicContact CB-CE1 4.17Å; E33-F45 HydrophobicContact CB-CG 4.38Å; E33-F45 HydrophobicContact CB-CZ 4.43Å; F45-N47 HydrophobicContact CE1-CB 4.14Å
46N72.6Confident70.5Confident128 Ų128106.3 Ų106.368%0.68461%0.609SS**  trans-107.8126.8-179-170.7-7000110.5G44G44-N46 PolarHBondContact O-N 3Å
47N67.8Low70.2Confident98 Ų98101.3 Ų101.352%0.52459%0.593SS.*  trans-117.899.9-175.3-171.831.2000110.4Y9 F45Y9-N47 WeakPolarHBondContact CE1-OD1 3.45Å; Y9-N47 VanDerWaalsContact CZ-OD1 3.26Å; Y9-N47 PolarHBondContact OH-OD1 3.25Å; F45-N47 HydrophobicContact CE1-CB 4.14Å
48Q67.6Low69.7Low136 Ų136102.9 Ų102.964%0.63661%0.607SS**  trans-83.6132.3179.5-70.7-175.5-21.600111.3Y9Y9-Q48 PolarHBondContact OH-O 3.12Å
49P61.5Low69.2Low83 Ų83102 Ų10254%0.53960%0.599SS.*  trans-65.4140.1175.525.9-31.8000111V51 E55P49-V51 PolarHBondContact O-N 2.71Å; P49-E55 VanDerWaalsContact CG-OE2 3.27Å; P49-E55 WeakPolarHBondContact CG-OE2 3.32Å
50A63.3Low68.6Low72 Ų72105.5 Ų105.560%0.59561%0.61SS**SBendtrans-75.515.4-169.900000115.4
51V62Low68.1Low99 Ų99111.3 Ų111.360%0.664%0.641SS**  trans-117.286.3-176.9-174.70000109.7P49 G53P49-V51 PolarHBondContact O-N 2.71Å; V51-G53 PolarHBondContact O-N 3.46Å
52S57.2Low67.6Low130 Ų130110.6 Ų110.691%0.90964%0.637SS**  trans-74.692.6-179.9-49.40000111.9
53G60.2Low66.6Low79 Ų79109.6 Ų109.681%0.81464%0.64SS**SBendtrans151.7-32.4159.800000117.1V51V51-G53 PolarHBondContact O-N 3.46Å
54D62.9Low65.8Low110 Ų110108.7 Ų108.759%0.58863%0.634SS**  trans-157.680.7-176.7-166.53.4000112.5H56 G57D54-H56 VanDerWaalsContact C-N 3.28Å; D54-H56 PolarHBondContact OD1-N 2.74Å; D54-G57 VanDerWaalsContact OD1-CA 3.23Å; D54-G57 WeakPolarHBondContact OD1-CA 3.5Å; D54-G57 PolarHBondContact OD1-N 2.8Å; D54-G57 WeakPolarHBondContact OD2-CA 3.47Å
55E64.2Low65.9Low126 Ų126111 Ų11159%0.58964%0.636SS**SBendtrans-84.74176.260.3164.5-128.200114P49P49-E55 VanDerWaalsContact CG-OE2 3.27Å; P49-E55 WeakPolarHBondContact CG-OE2 3.32Å
56H69.2Low65.6Low163 Ų163111.3 Ų111.376%0.75565%0.648SS**SBendtrans-124.5-6.5-179.2-62-10.9000113.3D54D54-H56 VanDerWaalsContact C-N 3.28Å; D54-H56 PolarHBondContact OD1-N 2.74Å
57G66.1Low65.7Low42 Ų42108.7 Ų108.743%0.43364%0.643SS.*  trans-69.1133.3-176.600000114.6D54D54-G57 VanDerWaalsContact OD1-CA 3.23Å; D54-G57 WeakPolarHBondContact OD1-CA 3.5Å; D54-G57 PolarHBondContact OD1-N 2.8Å; D54-G57 WeakPolarHBondContact OD2-CA 3.47Å
58S65.3Low66.1Low98 Ų98110.9 Ų110.969%0.68565%0.649SS**  trans-81.3120.5169.9-171.50000110.2K60S58-K60 PolarHBondContact O-N 3.47Å
59A68.2Low66.6Low61 Ų61108.9 Ų108.950%0.50464%0.641SS.*G310 helixtrans-67.625.3176.500000114.8N61 V62A59-N61 PolarHBondContact O-N 3Å; A59-N61 VanDerWaalsContact O-N 3.16Å; A59-V62 HydrophobicContact CB-CG2 4.03Å; A59-V62 WeakPolarHBondContact O-CB 3.43Å; A59-V62 PolarHBondContact O-N 3.17Å
60K63.8Low67.3Low182 Ų182108.3 Ų108.379%0.79164%0.639SS**G310 helixtrans-59.4-25.4-175.1-128.2178.2-177.5-179.30114.1S58S58-K60 PolarHBondContact O-N 3.47Å
61N68Low68Low163 Ų163108.1 Ų108.187%0.87263%0.634SS**G310 helixtrans-92.60.2179.2-63.7-11.6000113.2A59 N63A59-N61 PolarHBondContact O-N 3Å; A59-N61 VanDerWaalsContact O-N 3.16Å; N61-N63 PolarHBondContact O-N 3.19Å
62V66.5Low68.9Low83 Ų83106 Ų10650%0.50362%0.619SS.*SBendtrans-80.9118.4175.1-179.70000108.9A59 F64A59-V62 HydrophobicContact CB-CG2 4.03Å; A59-V62 WeakPolarHBondContact O-CB 3.43Å; A59-V62 PolarHBondContact O-N 3.17Å; V62-F64 HydrophobicContact CB-CD2 4.41Å; V62-F64 HydrophobicContact CB-CE2 3.81Å; V62-F64 HydrophobicContact CB-CZ 4.1Å; V62-F64 HydrophobicContact CG1-CD2 4.43Å; V62-F64 HydrophobicContact CG1-CE1 4.23Å; V62-F64 HydrophobicContact CG1-CE2 3.94Å; V62-F64 HydrophobicContact CG1-CZ 3.83Å; V62-F64 WeakPolarHBondContact O-CD2 3.5Å; V62-F64 PolarHBondContact O-N 2.82Å
63N58.8Low69.9Low165 Ų165106 Ų10688%0.88260%0.603SS**  trans-80.884.1-169.2-159.3-0.8000112.2N61N61-N63 PolarHBondContact O-N 3.19Å
64F62.1Low70.7Confident131 Ų131105.6 Ų105.658%0.57559%0.587SS**  trans-73.8130.1180-65.8-79.4000112.4V62 P66 I69V62-F64 HydrophobicContact CB-CD2 4.41Å; V62-F64 HydrophobicContact CB-CE2 3.81Å; V62-F64 HydrophobicContact CB-CZ 4.1Å; V62-F64 HydrophobicContact CG1-CD2 4.43Å; V62-F64 HydrophobicContact CG1-CE1 4.23Å; V62-F64 HydrophobicContact CG1-CE2 3.94Å; V62-F64 HydrophobicContact CG1-CZ 3.83Å; V62-F64 WeakPolarHBondContact O-CD2 3.5Å; V62-F64 PolarHBondContact O-N 2.82Å; F64-P66 VanDerWaalsContact O-CD 3.25Å; F64-P66 WeakPolarHBondContact O-CD 3.36Å; F64-I69 HydrophobicContact CB-CD1 4.17Å; F64-I69 HydrophobicContact CD1-CD1 4.11Å
65N76.6Confident71.5Confident91 Ų91103.6 Ų103.649%0.48758%0.582SS.*  trans-94.1103.9170.7-178-43.1000110A67 K68 I69N65-A67 VanDerWaalsContact C-N 3.34Å; N65-A67 PolarHBondContact O-N 3.49Å; N65-A67 PolarHBondContact OD1-N 2.95Å; N65-A67 VanDerWaalsContact OD1-N 3.16Å; N65-K68 HydrophobicContact CB-CB 4.01Å; N65-K68 PolarHBondContact O-N 3.14Å; N65-K68 PolarHBondContact OD1-N 3.24Å; N65-I69 WeakPolarHBondContact O-CG1 3.21Å; N65-I69 PolarHBondContact O-N 2.76Å
66P74.1Confident72Confident98 Ų98102.6 Ų102.664%0.63658%0.579SS**Hα-helixtrans-66.4-31.8-174.825.6-34.6000113.2F64 I69 S70F64-P66 VanDerWaalsContact O-CD 3.25Å; F64-P66 WeakPolarHBondContact O-CD 3.36Å; P66-I69 PolarHBondContact O-N 3.02Å; P66-S70 WeakPolarHBondContact O-CB 3.37Å; P66-S70 PolarHBondContact O-N 3.35Å
67A74.2Confident72.2Confident72 Ų7298 Ų9860%0.59556%0.559SS**Hα-helixtrans-65.5-39.5175.600000111.6N65 S70 S71N65-A67 VanDerWaalsContact C-N 3.34Å; N65-A67 PolarHBondContact O-N 3.49Å; N65-A67 PolarHBondContact OD1-N 2.95Å; N65-A67 VanDerWaalsContact OD1-N 3.16Å; A67-S70 PolarHBondContact O-N 3.22Å; A67-S71 VanDerWaalsContact O-CB 3.31Å; A67-S71 WeakPolarHBondContact O-CB 3.49Å; A67-S71 PolarHBondContact O-N 3.25Å
68K76.5Confident72.5Confident145 Ų14598.7 Ų98.763%0.6356%0.561SS**Hα-helixtrans-69.6-35.1175.5-162169.6-173.3173.30111.9N65 N72N65-K68 HydrophobicContact CB-CB 4.01Å; N65-K68 PolarHBondContact O-N 3.14Å; N65-K68 PolarHBondContact OD1-N 3.24Å; K68-N72 PolarHBondContact O-N 3.12Å; K68-N72 VanDerWaalsContact O-N 3.16Å; K68-N72 PolarHBondContact O-ND2 3.35Å
69I78.5Confident72.9Confident93 Ų9398.4 Ų98.448%0.47755%0.549SS..Hα-helixtrans-65.8-50172.7-65.8167.8000110.2F64 N65 P66 S71 N72 F73F64-I69 HydrophobicContact CB-CD1 4.17Å; F64-I69 HydrophobicContact CD1-CD1 4.11Å; N65-I69 WeakPolarHBondContact O-CG1 3.21Å; N65-I69 PolarHBondContact O-N 2.76Å; P66-I69 PolarHBondContact O-N 3.02Å; I69-S71 PolarHBondContact O-N 3.19Å; I69-N72 PolarHBondContact O-N 3.13Å; I69-F73 WeakPolarHBondContact O-CB 3.44Å; I69-F73 PolarHBondContact O-N 3.2Å
70S74.8Confident72.8Confident71 Ų71102 Ų10250%0.49755%0.553SS.*Hα-helixtrans-57.7-45.7177.8179.60000112P66 A67 N72 F73 S74P66-S70 WeakPolarHBondContact O-CB 3.37Å; P66-S70 PolarHBondContact O-N 3.35Å; A67-S70 PolarHBondContact O-N 3.22Å; S70-N72 PolarHBondContact O-N 3.39Å; S70-F73 PolarHBondContact O-N 3.07Å; S70-F73 VanDerWaalsContact O-N 3.15Å; S70-S74 PolarHBondContact O-N 3.06Å; S70-S74 PolarHBondContact O-OG 3.42Å
71S79.5Confident72.8Confident69 Ų6997.3 Ų97.348%0.48354%0.537SS..Hα-helixtrans-57.6-45.5174.5169.10000113.2A67 I69 S75A67-S71 VanDerWaalsContact O-CB 3.31Å; A67-S71 WeakPolarHBondContact O-CB 3.49Å; A67-S71 PolarHBondContact O-N 3.25Å; I69-S71 PolarHBondContact O-N 3.19Å; S71-S75 WeakPolarHBondContact O-CB 3.49Å; S71-S75 PolarHBondContact O-N 3.14Å; S71-S75 PolarHBondContact O-OG 2.7Å
72N80Confident72.9Confident54 Ų5496.6 Ų96.629%0.28952%0.522SS..Hα-helixtrans-66-38.6175.6-79.6-86.7000111.5M1 K68 I69 S70 S75 I76M1-N72 HydrophobicContact CE-CB 4.37Å; K68-N72 PolarHBondContact O-N 3.12Å; K68-N72 VanDerWaalsContact O-N 3.16Å; K68-N72 PolarHBondContact O-ND2 3.35Å; I69-N72 PolarHBondContact O-N 3.13Å; S70-N72 PolarHBondContact O-N 3.39Å; N72-S75 WeakPolarHBondContact O-CB 3.45Å; N72-S75 PolarHBondContact O-N 3.09Å; N72-I76 VanDerWaalsContact O-CG1 3.31Å; N72-I76 WeakPolarHBondContact O-CG1 3.48Å; N72-I76 PolarHBondContact O-N 3.38Å
73F78.1Confident72.5Confident131 Ų13196.7 Ų96.758%0.57553%0.525SS*.Hα-helixtrans-66.2-45.9178.1-164.9-92.2000111.7I69 S70 S75 I76 I77I69-F73 WeakPolarHBondContact O-CB 3.44Å; I69-F73 PolarHBondContact O-N 3.2Å; S70-F73 PolarHBondContact O-N 3.07Å; S70-F73 VanDerWaalsContact O-N 3.15Å; F73-S75 VanDerWaalsContact C-N 3.28Å; F73-S75 PolarHBondContact O-N 2.76Å; F73-I76 PolarHBondContact O-N 3.01Å; F73-I76 VanDerWaalsContact O-N 3.12Å; F73-I77 HydrophobicContact CD1-CG1 3.92Å; F73-I77 HydrophobicContact CE1-CD1 4.01Å; F73-I77 HydrophobicContact CE1-CG1 3.76Å; F73-I77 HydrophobicContact CZ-CD1 4.42Å; F73-I77 WeakPolarHBondContact O-CG1 3.47Å; F73-I77 PolarHBondContact O-N 2.77Å
74S78.1Confident72.2Confident70 Ų7094.7 Ų94.749%0.4951%0.514SS..Hα-helixtrans-58.8-38.7171.6-67.40000112.1S70 I76 I77 A78S70-S74 PolarHBondContact O-N 3.06Å; S70-S74 PolarHBondContact O-OG 3.42Å; S74-I76 PolarHBondContact O-N 3.15Å; S74-I77 PolarHBondContact O-N 3.08Å; S74-A78 VanDerWaalsContact O-CB 3.26Å; S74-A78 WeakPolarHBondContact O-CB 3.39Å; S74-A78 PolarHBondContact O-N 3.32Å
75S78.9Confident71.3Confident67 Ų6791.8 Ų91.847%0.46951%0.508SS..Hα-helixtrans-64.8-38.2174.6-56.20000112.3S71 N72 F73 E79S71-S75 WeakPolarHBondContact O-CB 3.49Å; S71-S75 PolarHBondContact O-N 3.14Å; S71-S75 PolarHBondContact O-OG 2.7Å; N72-S75 WeakPolarHBondContact O-CB 3.45Å; N72-S75 PolarHBondContact O-N 3.09Å; F73-S75 VanDerWaalsContact C-N 3.28Å; F73-S75 PolarHBondContact O-N 2.76Å; S75-E79 VanDerWaalsContact O-CB 3.25Å; S75-E79 WeakPolarHBondContact O-CB 3.47Å; S75-E79 PolarHBondContact O-N 3.49Å
76I75.3Confident69.7Low106 Ų10694 Ų9454%0.54452%0.518SS..Hα-helixtrans-69.5-39.1175.3-69.3162.8000111.2N72 F73 S74 K80N72-I76 VanDerWaalsContact O-CG1 3.31Å; N72-I76 WeakPolarHBondContact O-CG1 3.48Å; N72-I76 PolarHBondContact O-N 3.38Å; F73-I76 PolarHBondContact O-N 3.01Å; F73-I76 VanDerWaalsContact O-N 3.12Å; S74-I76 PolarHBondContact O-N 3.15Å; I76-K80 WeakPolarHBondContact O-CB 3.34Å; I76-K80 PolarHBondContact O-N 2.98Å
77I73.7Confident68Low65 Ų6594.5 Ų94.533%0.33353%0.525SS..Hα-helixtrans-64.9-46.3174.3-68.5-68.5000110.6F73 S74 K80 L81F73-I77 HydrophobicContact CD1-CG1 3.92Å; F73-I77 HydrophobicContact CE1-CD1 4.01Å; F73-I77 HydrophobicContact CE1-CG1 3.76Å; F73-I77 HydrophobicContact CZ-CD1 4.42Å; F73-I77 WeakPolarHBondContact O-CG1 3.47Å; F73-I77 PolarHBondContact O-N 2.77Å; S74-I77 PolarHBondContact O-N 3.08Å; I77-K80 PolarHBondContact O-N 2.93Å; I77-L81 HydrophobicContact CG2-CD1 4Å; I77-L81 WeakPolarHBondContact O-CB 3.34Å; I77-L81 WeakPolarHBondContact O-CG 3.28Å; I77-L81 PolarHBondContact O-N 3.2Å
78A71.4Confident66.4Low57 Ų5798.4 Ų98.447%0.47154%0.535SS..Hα-helixtrans-64-40.5177.100000112.4S74 L81 R82S74-A78 VanDerWaalsContact O-CB 3.26Å; S74-A78 WeakPolarHBondContact O-CB 3.39Å; S74-A78 PolarHBondContact O-N 3.32Å; A78-L81 PolarHBondContact O-N 3.48Å; A78-R82 WeakPolarHBondContact O-CA 3.39Å; A78-R82 PolarHBondContact O-N 3.31Å
79E73Confident64.7Low93 Ų9396.9 Ų96.944%0.43554%0.538SS..Hα-helixtrans-71-34.5175.8-179.262.2-17500112.1S75 R82 C83S75-E79 VanDerWaalsContact O-CB 3.25Å; S75-E79 WeakPolarHBondContact O-CB 3.47Å; S75-E79 PolarHBondContact O-N 3.49Å; E79-R82 CarbonylContact O-C 3.57Å; E79-R82 VanDerWaalsContact O-CA 3.29Å; E79-R82 WeakPolarHBondContact O-CA 3.5Å; E79-R82 PolarHBondContact O-N 3.47Å; E79-R82 IonicContact OE1-CZ 2.74Å; E79-R82 IonicContact OE1-NE 2.64Å; E79-R82 IonicContact OE1-NH2 2.72Å; E79-R82 PolarHBondContact OE1-NH2 3.39Å; E79-R82 IonicContact OE2-CZ 3.76Å; E79-R82 IonicContact OE2-NE 2.7Å; E79-R82 PolarHBondContact OE2-NE 3.35Å; E79-R82 IonicContact OE2-NH2 2.8Å; E79-R82 PolarHBondContact OE2-NH2 3.01Å; E79-C83 PolarHBondContact O-N 2.94Å; E79-C83 PolarHBondContact O-SG 3.15Å
80K67.5Low62.8Low135 Ų13596.1 Ų96.159%0.58755%0.553SS**Hα-helixtrans-65.2-43171.2179.6-179.2170.8-176.10111.1I76 I77 C83 N84I76-K80 WeakPolarHBondContact O-CB 3.34Å; I76-K80 PolarHBondContact O-N 2.98Å; I77-K80 PolarHBondContact O-N 2.93Å; K80-C83 PolarHBondContact O-N 3.38Å; K80-N84 WeakPolarHBondContact O-CB 3.48Å; K80-N84 PolarHBondContact O-N 3.23Å; K80-N84 VanDerWaalsContact O-N 3.14Å; K80-N84 PolarHBondContact O-ND2 3.14Å
81L63.2Low61.1Low85 Ų85104 Ų10445%0.44557%0.572SS.*Hα-helixtrans-61.5-50.4171.1-77.4162.3000109.7I77 A78 C83 N84 T85I77-L81 HydrophobicContact CG2-CD1 4Å; I77-L81 WeakPolarHBondContact O-CB 3.34Å; I77-L81 WeakPolarHBondContact O-CG 3.28Å; I77-L81 PolarHBondContact O-N 3.2Å; A78-L81 PolarHBondContact O-N 3.48Å; L81-C83 VanDerWaalsContact C-N 3.3Å; L81-C83 PolarHBondContact O-N 3.29Å; L81-N84 CarbonylContact O-C 3.41Å; L81-N84 PolarHBondContact O-N 3.5Å; L81-T85 PolarHBondContact O-N 3.25Å; L81-T85 PolarHBondContact O-OG1 3.45Å
82R69Low59.2Low148 Ų148112.2 Ų112.256%0.55859%0.593SS**Hα-helixtrans-22.3-66.1160.9171.3-80.395.169.5-8.4113.3A78 E79 T85A78-R82 WeakPolarHBondContact O-CA 3.39Å; A78-R82 PolarHBondContact O-N 3.31Å; E79-R82 CarbonylContact O-C 3.57Å; E79-R82 VanDerWaalsContact O-CA 3.29Å; E79-R82 WeakPolarHBondContact O-CA 3.5Å; E79-R82 PolarHBondContact O-N 3.47Å; E79-R82 IonicContact OE1-CZ 2.74Å; E79-R82 IonicContact OE1-NE 2.64Å; E79-R82 IonicContact OE1-NH2 2.72Å; E79-R82 PolarHBondContact OE1-NH2 3.39Å; E79-R82 IonicContact OE2-CZ 3.76Å; E79-R82 IonicContact OE2-NE 2.7Å; E79-R82 PolarHBondContact OE2-NE 3.35Å; E79-R82 IonicContact OE2-NH2 2.8Å; E79-R82 PolarHBondContact OE2-NH2 3.01Å; R82-T85 PolarHBondContact O-OG1 2.88Å; R82-T85 VanDerWaalsContact O-OG1 3.09Å
83C59.1Low57.3Low84 Ų84119.2 Ų119.257%0.56862%0.621SS**Hα-helixtrans-83.6-11.5-172.8-62.10000114.5E79 K80 L81E79-C83 PolarHBondContact O-N 2.94Å; E79-C83 PolarHBondContact O-SG 3.15Å; K80-C83 PolarHBondContact O-N 3.38Å; L81-C83 VanDerWaalsContact C-N 3.3Å; L81-C83 PolarHBondContact O-N 3.29Å
84N52.1Low55.5Low123 Ų123118.3 Ų118.366%0.65863%0.63SS**Hα-helixtrans-103.9-16176-73.5-74.9000113.2K80 L81K80-N84 WeakPolarHBondContact O-CB 3.48Å; K80-N84 PolarHBondContact O-N 3.23Å; K80-N84 VanDerWaalsContact O-N 3.14Å; K80-N84 PolarHBondContact O-ND2 3.14Å; L81-N84 CarbonylContact O-C 3.41Å; L81-N84 PolarHBondContact O-N 3.5Å
85T43Very low54Low71 Ų71120.5 Ų120.544%0.43664%0.636SS.*SBendtrans-74.2129.7168.534.80000111.1L81 R82 S87L81-T85 PolarHBondContact O-N 3.25Å; L81-T85 PolarHBondContact O-OG1 3.45Å; R82-T85 PolarHBondContact O-OG1 2.88Å; R82-T85 VanDerWaalsContact O-OG1 3.09Å; T85-S87 PolarHBondContact O-N 2.92Å
86L43.2Very low52.5Low136 Ų136121.1 Ų121.171%0.71263%0.633SS**  trans-70.1115.1174.8-69.4159.9000109.2D88 P1701L86-D88 PolarHBondContact O-N 2.88Å; L86-P1701 HydrophobicContact CD1-CB 4.28Å; L86-P1701 HydrophobicContact CD1-CG 3.8Å; L86-P1701 HydrophobicContact CD2-CG 4.24Å; L86-P1701 HydrophobicContact CG-CG 4.43Å
87S39.7Very low51.2Low110 Ų110120.1 Ų120.177%0.76963%0.628SS**  trans-7294.4178.6590000110.7T85 T89T85-S87 PolarHBondContact O-N 2.92Å; S87-T89 PolarHBondContact O-N 2.84Å
88D39.5Very low50.2Low153 Ų153118.8 Ų118.882%0.81862%0.621SS**  trans-68.2116.7172.4-169.916000110.4L86 G90L86-D88 PolarHBondContact O-N 2.88Å; D88-G90 PolarHBondContact O-N 2.82Å
89T41.3Very low49.2Very low113 Ų113123.5 Ų123.569%0.69363%0.63SS**  trans-82.785.3-17349.20000110.4S87 R91S87-T89 PolarHBondContact O-N 2.84Å; T89-R91 PolarHBondContact O-N 3.47Å
90G38.9Very low48.2Very low77 Ų77124.3 Ų124.379%0.79464%0.638SS**  trans-63.754.2-176.700000117D88D88-G90 PolarHBondContact O-N 2.82Å
91R37.9Very low47.4Very low236 Ų236121.5 Ų121.589%0.89163%0.629SS**SBendtrans-135.2104.5167.8-73.8-165.9178.5-138.70.2111.5T89T89-R91 PolarHBondContact O-N 3.47Å
92R40.6Very low46.9Very low242 Ų242119.2 Ų119.291%0.91362%0.616SS**SBendtrans37.9109.2155.1-65.4-176.1176.9-176.2-0.8118S94R92-S94 PolarHBondContact O-N 2.99Å; R92-S94 VanDerWaalsContact O-N 3.07Å
93K39.9Very low46.2Very low201 Ų201122.3 Ų122.387%0.87463%0.628SS**  trans25.971.1147.4-68.2-168175.2-171.20115.8L95K93-L95 PolarHBondContact O-N 3.5Å
94S39.6Very low45.8Very low112 Ų112119.9 Ų119.978%0.78361%0.609SS**  trans-78.3106.4153.2-167.70000107.3R92R92-S94 PolarHBondContact O-N 2.99Å; R92-S94 VanDerWaalsContact O-N 3.07Å
95L46.2Very low45.9Very low116 Ų116120.1 Ų120.161%0.60761%0.614SS**  trans-60.7149.1157.3-81.678.9000107.5K93 N97K93-L95 PolarHBondContact O-N 3.5Å; L95-N97 PolarHBondContact O-N 3.06Å; L95-N97 VanDerWaalsContact O-N 3.15Å
96M47.7Very low46.5Very low81 Ų81118.7 Ų118.740%0.39961%0.606SS.*  trans-56.1119.8174177.2170.861.200108.7Q98 F102 F1692M96-Q98 WeakPolarHBondContact O-CG 3.43Å; M96-Q98 PolarHBondContact O-N 3.43Å; M96-F102 HydrophobicContact CE-CE2 4Å; M96-F102 HydrophobicContact CE-CZ 4.21Å; M96-F1692 HydrophobicContact CE-CD2 4.23Å; M96-F1692 HydrophobicContact CE-CE2 3.93Å
97N48.8Very low47Very low84 Ų84115.5 Ų115.545%0.44960%0.599SS.*  trans-69.197.7-179.6-172.813.3000109.9L95 K99 D100L95-N97 PolarHBondContact O-N 3.06Å; L95-N97 VanDerWaalsContact O-N 3.15Å; N97-K99 PolarHBondContact O-N 3.41Å; N97-K99 VanDerWaalsContact O-N 3.14Å; N97-D100 PolarHBondContact ND2-OD1 3.26Å; N97-D100 PolarHBondContact ND2-OD2 3.03Å; N97-D100 PolarHBondContact O-N 3.3Å
98Q53.1Low48Very low38 Ų38122.1 Ų122.118%0.17861%0.607CS.*Hα-helixtrans-66.8-15.8-172.5-66.1175.48.200112.5M96 F102 A169M96-Q98 WeakPolarHBondContact O-CG 3.43Å; M96-Q98 PolarHBondContact O-N 3.43Å; Q98-F102 HydrophobicContact CB-CD2 4.22Å; Q98-F102 HydrophobicContact CB-CE2 4.45Å; Q98-F102 HydrophobicContact CG-CE2 4.31Å; Q98-F102 WeakPolarHBondContact O-CD2 3.36Å; Q98-A169 HydrophobicContact CB-CB 4.05Å; Q98-A169 VanDerWaalsContact OE1-N 3.11Å
99K50.3Low49.7Very low155 Ų155117.8 Ų117.867%0.67459%0.589SS**Hα-helixtrans-71.6-32.1173.9-76.8-173.6173-179.10114.3N97N97-K99 PolarHBondContact O-N 3.41Å; N97-K99 VanDerWaalsContact O-N 3.14Å
100D50.9Low51.6Low111 Ų111116.8 Ų116.859%0.59458%0.576SS**Hα-helixtrans-86.6-21.1-171.3-60.1-25.1000113.1N97N97-D100 PolarHBondContact ND2-OD1 3.26Å; N97-D100 PolarHBondContact ND2-OD2 3.03Å; N97-D100 PolarHBondContact O-N 3.3Å
101N50.8Low53.7Low76 Ų76117.2 Ų117.241%0.40657%0.567SS.*Hα-helixtrans-108.3-15.7-172.1-72.8-80.6000114.8
102F54.2Low55.8Low36 Ų36107.8 Ų107.816%0.15854%0.54CS..  trans-115.383.4-171.5-68.4-93.6000113.1M96 Q98 L104 M162 A165M96-F102 HydrophobicContact CE-CE2 4Å; M96-F102 HydrophobicContact CE-CZ 4.21Å; Q98-F102 HydrophobicContact CB-CD2 4.22Å; Q98-F102 HydrophobicContact CB-CE2 4.45Å; Q98-F102 HydrophobicContact CG-CE2 4.31Å; Q98-F102 WeakPolarHBondContact O-CD2 3.36Å; F102-L104 HydrophobicContact CB-CD1 4.14Å; F102-L104 HydrophobicContact CB-CG 4.3Å; F102-L104 HydrophobicContact CD1-CD1 3.99Å; F102-L104 PolarHBondContact O-N 2.96Å; F102-M162 HydrophobicContact CE1-CE 3.88Å; F102-M162 HydrophobicContact CE1-SD 4.22Å; F102-M162 HydrophobicContact CZ-CE 4.36Å; F102-A165 HydrophobicContact CE1-CB 4.13Å; F102-A165 HydrophobicContact CZ-CB 4.12Å
103W52.9Low57.9Low213 Ų21397.4 Ų97.481%0.80750%0.502SS*.  trans-79.681169.9-76.185.7000111.1
104L52.3Low60.1Low34 Ų3490 Ų9018%0.17847%0.472CS..  trans-104.978.1-172.8-73.6176000112.9F102 V133 I135 Y166F102-L104 HydrophobicContact CB-CD1 4.14Å; F102-L104 HydrophobicContact CB-CG 4.3Å; F102-L104 HydrophobicContact CD1-CD1 3.99Å; F102-L104 PolarHBondContact O-N 2.96Å; L104-V133 HydrophobicContact CD2-CB 3.8Å; L104-V133 HydrophobicContact CD2-CG2 4Å; L104-I135 HydrophobicContact CB-CD1 4.17Å; L104-Y166 HydrophobicContact CB-CD2 4.23Å; L104-Y166 HydrophobicContact CB-CE2 4.46Å; L104-Y166 HydrophobicContact CD1-CD2 3.51Å; L104-Y166 HydrophobicContact CD1-CE2 4.49Å; L104-Y166 HydrophobicContact CD1-CG 4.01Å
105V52.5Low62.4Low127 Ų12788.3 Ų88.377%0.7746%0.457SS*.  trans-131.9108.3166-177.20000109.6
106T56Low64.5Low41 Ų4183.7 Ų83.725%0.25243%0.432SS..  trans-122.8133.9176.2-49.30000108.7K132 V133T106-K132 HydrophobicContact CG2-CB 4.46Å; T106-K132 WeakPolarHBondContact OG1-CA 3.44Å; T106-K132 PolarHBondContact OG1-O 2.87Å; T106-V133 WeakPolarHBondContact CB-O 3.44Å; T106-V133 PolarHBondContact OG1-N 3.42Å; T106-V133 PolarHBondContact OG1-O 3.26Å
107A54.4Low66.6Low69 Ų6979.9 Ų79.957%0.5741%0.413SS*.  trans-70.5145.1-173.500000112.2S109A107-S109 PolarHBondContact O-N 3.14Å
108R60.4Low68.6Low250 Ų25079.6 Ų79.694%0.94341%0.414SS*.  trans-72.917.1-177.7-54.8-173.7-171.2176.43.7114.8
109S75.3Confident70.4Confident62 Ų6279.6 Ų79.643%0.43442%0.415SS..  trans-81.7124.7-179.262.60000110.6A107 S111 A112 I113A107-S109 PolarHBondContact O-N 3.14Å; S109-S111 PolarHBondContact O-N 3.41Å; S109-S111 VanDerWaalsContact O-N 3.15Å; S109-A112 PolarHBondContact O-N 3.23Å; S109-A112 WeakPolarHBondContact OG-CB 3.32Å; S109-I113 PolarHBondContact O-N 3.3Å
110Q80.4Confident72.2Confident92 Ų9272.2 Ų72.243%0.4338%0.383SS..Hα-helixtrans-59.6-30.8-175.1-168.166.9-9.200112.8I113 N114 Y145Q110-I113 PolarHBondContact O-N 2.99Å; Q110-N114 WeakPolarHBondContact O-CB 3.47Å; Q110-N114 PolarHBondContact O-N 3.4Å; Q110-N114 PolarHBondContact O-ND2 3.43Å; Q110-N114 PolarHBondContact O-OD1 2.7Å; Q110-Y145 PolarHBondContact NE2-OH 3.01Å
111S83.3Confident74.1Confident86 Ų8668.3 Ų68.360%0.60137%0.367SS*.Hα-helixtrans-60-46.7171.3172.90000112.5S109 I113 N114 T115S109-S111 PolarHBondContact O-N 3.41Å; S109-S111 VanDerWaalsContact O-N 3.15Å; S111-I113 PolarHBondContact O-N 3.4Å; S111-N114 PolarHBondContact O-N 3.41Å; S111-T115 PolarHBondContact O-N 2.94Å; S111-T115 PolarHBondContact O-OG1 3.09Å
112A81.9Confident75.8Confident38 Ų3866.4 Ų66.431%0.31437%0.365SS..Hα-helixtrans-66.9-36.7-18000000112.3S109 W116S109-A112 PolarHBondContact O-N 3.23Å; S109-A112 WeakPolarHBondContact OG-CB 3.32Å; A112-W116 WeakPolarHBondContact O-CB 3.47Å; A112-W116 PolarHBondContact O-N 2.92Å
113I85.3Confident77.1Confident24 Ų2471.2 Ų71.212%0.12340%0.397CS..Hα-helixtrans-62.8-51.4173-61.5175.4000109.8S109 Q110 S111 T115 W116 F117 Y145S109-I113 PolarHBondContact O-N 3.3Å; Q110-I113 PolarHBondContact O-N 2.99Å; S111-I113 PolarHBondContact O-N 3.4Å; I113-T115 PolarHBondContact O-N 3.17Å; I113-W116 PolarHBondContact O-N 3.07Å; I113-W116 VanDerWaalsContact O-N 3.16Å; I113-F117 HydrophobicContact CG2-CD2 3.88Å; I113-F117 HydrophobicContact CG2-CE2 4.02Å; I113-F117 WeakPolarHBondContact O-CD2 3.43Å; I113-F117 PolarHBondContact O-N 3.39Å; I113-Y145 HydrophobicContact CG2-CD1 4.19Å; I113-Y145 HydrophobicContact CG2-CE1 3.93Å
114N86.7Confident78.6Confident46 Ų4665.7 Ų65.725%0.24638%0.379CS..Hα-helixtrans-56.5-46.8178.5-70.2-12.3000112.1Q110 S111 F117 T118 Y149Q110-N114 WeakPolarHBondContact O-CB 3.47Å; Q110-N114 PolarHBondContact O-N 3.4Å; Q110-N114 PolarHBondContact O-ND2 3.43Å; Q110-N114 PolarHBondContact O-OD1 2.7Å; S111-N114 PolarHBondContact O-N 3.41Å; N114-F117 PolarHBondContact O-N 2.98Å; N114-T118 PolarHBondContact O-N 3.49Å; N114-T118 VanDerWaalsContact O-N 3.09Å; N114-T118 PolarHBondContact O-OG1 3.01Å; N114-Y149 VanDerWaalsContact CB-OH 3.3Å; N114-Y149 WeakPolarHBondContact CB-OH 3.44Å; N114-Y149 VanDerWaalsContact CG-OH 3.24Å; N114-Y149 PolarHBondContact OD1-OH 2.92Å
115T87.7Confident79.8Confident76 Ų7666.5 Ų66.547%0.46639%0.386SS..Hα-helixtrans-62.9-41.7176.5-58.50000112S111 I113 F117 T118 D119S111-T115 PolarHBondContact O-N 2.94Å; S111-T115 PolarHBondContact O-OG1 3.09Å; I113-T115 PolarHBondContact O-N 3.17Å; T115-F117 VanDerWaalsContact C-N 3.35Å; T115-F117 PolarHBondContact O-N 3.04Å; T115-T118 PolarHBondContact O-N 2.89Å; T115-D119 WeakPolarHBondContact O-CB 3.4Å; T115-D119 PolarHBondContact O-N 3.5Å
116W90.5Very high81.1Confident19 Ų1961.5 Ų61.57%0.07236%0.355CS..Hα-helixtrans-65.9-35.9179.1-172.599.3000112.4A112 I113 D119 L120 L129 K132 V133 P134 W158 L159A112-W116 WeakPolarHBondContact O-CB 3.47Å; A112-W116 PolarHBondContact O-N 2.92Å; I113-W116 PolarHBondContact O-N 3.07Å; I113-W116 VanDerWaalsContact O-N 3.16Å; W116-D119 WeakPolarHBondContact O-CB 3.43Å; W116-D119 PolarHBondContact O-N 3.2Å; W116-L120 HydrophobicContact CE3-CB 4.32Å; W116-L120 HydrophobicContact CH2-CB 4.33Å; W116-L120 HydrophobicContact CH2-CD1 4.09Å; W116-L120 HydrophobicContact CH2-CD2 3.78Å; W116-L120 HydrophobicContact CH2-CG 4.28Å; W116-L120 HydrophobicContact CZ3-CB 4.05Å; W116-L120 HydrophobicContact CZ3-CD2 3.62Å; W116-L120 HydrophobicContact CZ3-CG 4.28Å; W116-L120 WeakPolarHBondContact O-CB 3.12Å; W116-L120 PolarHBondContact O-N 3.15Å; W116-L129 HydrophobicContact CZ2-CB 4.07Å; W116-L129 PolarHBondContact NE1-O 3.09Å; W116-K132 VanDerWaalsContact CD1-O 3.25Å; W116-K132 PolarHBondContact NE1-O 3.21Å; W116-V133 HydrophobicContact CH2-CG1 4.16Å; W116-V133 HydrophobicContact CZ2-CB 4.42Å; W116-V133 HydrophobicContact CZ2-CG1 4.07Å; W116-V133 HydrophobicContact CZ2-CG2 4.4Å; W116-P134 HydrophobicContact CB-CG 4.18Å; W116-P134 HydrophobicContact CD2-CG 3.6Å; W116-P134 VanDerWaalsContact CE3-CD 3.43Å; W116-P134 HydrophobicContact CE3-CG 3.54Å; W116-P134 HydrophobicContact CG-CG 3.87Å; W116-P134 HydrophobicContact CZ3-CG 4.15Å; W116-W158 HydrophobicContact CH2-CZ3 4.31Å; W116-W158 HydrophobicContact CZ2-CZ3 4.2Å; W116-L159 HydrophobicContact CH2-CD1 3.9Å; W116-L159 HydrophobicContact CH2-CD2 4.26Å; W116-L159 HydrophobicContact CZ3-CD1 4.35Å; W116-L159 HydrophobicContact CZ3-CD2 4.05Å
117F91.5Very high81.9Confident0 Ų062.6 Ų62.60%036%0.362CS..Hα-helixtrans-71.2-37.3174.8-88.6-89.4000113I113 N114 T115 D119 L120 A121 P134 F136 Y145 L146 Y149 V151 L159I113-F117 HydrophobicContact CG2-CD2 3.88Å; I113-F117 HydrophobicContact CG2-CE2 4.02Å; I113-F117 WeakPolarHBondContact O-CD2 3.43Å; I113-F117 PolarHBondContact O-N 3.39Å; N114-F117 PolarHBondContact O-N 2.98Å; T115-F117 VanDerWaalsContact C-N 3.35Å; T115-F117 PolarHBondContact O-N 3.04Å; F117-D119 VanDerWaalsContact C-N 3.29Å; F117-D119 PolarHBondContact O-N 3.31Å; F117-L120 PolarHBondContact O-N 2.9Å; F117-A121 WeakPolarHBondContact O-CB 3.41Å; F117-A121 PolarHBondContact O-N 3.22Å; F117-P134 HydrophobicContact CE2-CB 4.43Å; F117-P134 HydrophobicContact CE2-CG 4.24Å; F117-F136 HydrophobicContact CE2-CE2 4.07Å; F117-F136 AromaticContact CE2-CZ 3.64Å; F117-F136 HydrophobicContact CE2-CZ 3.64Å; F117-F136 AromaticContact CZ-CE2 3.83Å; F117-F136 HydrophobicContact CZ-CE2 3.83Å; F117-F136 AromaticContact CZ-CZ 3.71Å; F117-F136 HydrophobicContact CZ-CZ 3.71Å; F117-Y145 HydrophobicContact CD2-CD1 4.32Å; F117-Y145 HydrophobicContact CE2-CD1 4.43Å; F117-Y145 HydrophobicContact CE2-CG 4.38Å; F117-Y145 HydrophobicContact CZ-CG 4.41Å; F117-L146 HydrophobicContact CE1-CD2 4.03Å; F117-L146 HydrophobicContact CE1-CG 4.24Å; F117-Y149 HydrophobicContact CB-CD1 4.11Å; F117-Y149 HydrophobicContact CB-CD2 3.56Å; F117-Y149 HydrophobicContact CB-CE1 4.46Å; F117-Y149 HydrophobicContact CB-CE2 3.96Å; F117-Y149 HydrophobicContact CB-CG 3.66Å; F117-Y149 HydrophobicContact CD1-CD2 4.42Å; F117-Y149 HydrophobicContact CG-CD2 4.17Å; F117-V151 HydrophobicContact CD1-CG2 4.25Å; F117-L159 HydrophobicContact CE1-CD2 3.82Å; F117-L159 HydrophobicContact CZ-CD2 3.7Å
118T90.4Very high83Confident79 Ų7965.1 Ų65.149%0.48536%0.361SS..Hα-helixtrans-59.4-42.2168.2-57.40000111.3N114 T115 A121 G122 Y149N114-T118 PolarHBondContact O-N 3.49Å; N114-T118 VanDerWaalsContact O-N 3.09Å; N114-T118 PolarHBondContact O-OG1 3.01Å; T115-T118 PolarHBondContact O-N 2.89Å; T118-A121 PolarHBondContact O-N 3.17Å; T118-G122 PolarHBondContact O-N 2.99Å; T118-Y149 WeakPolarHBondContact OG1-CE1 3.43Å
119D90Very high83.9Confident37 Ų3753.6 Ų53.620%0.19832%0.319CS..Hα-helixtrans-65.8-35.6176.9-82.3-10.8000113.3T115 W116 F117 K124 L129T115-D119 WeakPolarHBondContact O-CB 3.4Å; T115-D119 PolarHBondContact O-N 3.5Å; W116-D119 WeakPolarHBondContact O-CB 3.43Å; W116-D119 PolarHBondContact O-N 3.2Å; F117-D119 VanDerWaalsContact C-N 3.29Å; F117-D119 PolarHBondContact O-N 3.31Å; D119-K124 HydrophobicContact CB-CD 3.95Å; D119-K124 VanDerWaalsContact CG-CD 3.49Å; D119-K124 WeakPolarHBondContact OD1-CD 3.48Å; D119-K124 WeakPolarHBondContact OD1-CE 3.42Å; D119-K124 IonicContact OD1-NZ 3.75Å; D119-K124 PolarHBondContact OD1-NZ 2.96Å; D119-K124 IonicContact OD2-NZ 2.71Å; D119-K124 PolarHBondContact OD2-NZ 3.16Å; D119-L129 HydrophobicContact CB-CD2 3.94Å
120L89.8Confident83.9Confident0 Ų052.2 Ų52.20%031%0.311CS..Hα-helixtrans-69.7-42.8173.6-174.270.4000111.4W116 F117 G122 L126 L129 L146 V151 R155 W158 L159W116-L120 HydrophobicContact CE3-CB 4.32Å; W116-L120 HydrophobicContact CH2-CB 4.33Å; W116-L120 HydrophobicContact CH2-CD1 4.09Å; W116-L120 HydrophobicContact CH2-CD2 3.78Å; W116-L120 HydrophobicContact CH2-CG 4.28Å; W116-L120 HydrophobicContact CZ3-CB 4.05Å; W116-L120 HydrophobicContact CZ3-CD2 3.62Å; W116-L120 HydrophobicContact CZ3-CG 4.28Å; W116-L120 WeakPolarHBondContact O-CB 3.12Å; W116-L120 PolarHBondContact O-N 3.15Å; F117-L120 PolarHBondContact O-N 2.9Å; L120-G122 VanDerWaalsContact C-N 3.32Å; L120-G122 PolarHBondContact O-N 3.21Å; L120-L126 HydrophobicContact CD1-CD2 4.11Å; L120-L129 HydrophobicContact CB-CD1 4.23Å; L120-L129 HydrophobicContact CD1-CD1 3.7Å; L120-L146 HydrophobicContact CD2-CD2 4.33Å; L120-V151 HydrophobicContact CD2-CG1 3.68Å; L120-V151 HydrophobicContact CD2-CG2 4.25Å; L120-V151 HydrophobicContact CG-CG1 3.79Å; L120-R155 HydrophobicContact CD1-CB 4.08Å; L120-R155 HydrophobicContact CG-CB 4.3Å; L120-R155 WeakPolarHBondContact O-CD 3.3Å; L120-R155 PolarHBondContact O-NH1 2.68Å; L120-W158 HydrophobicContact CD1-CE3 4.15Å; L120-W158 HydrophobicContact CD1-CZ3 4.09Å; L120-L159 HydrophobicContact CD2-CB 4.33Å; L120-L159 HydrophobicContact CD2-CD2 4.12Å
121A90.2Very high83.5Confident30 Ų3053.7 Ų53.725%0.24832%0.316CS..Hα-helixtrans-64.7-35.1176.600000112.7F117 T118 Y149 V151F117-A121 WeakPolarHBondContact O-CB 3.41Å; F117-A121 PolarHBondContact O-N 3.22Å; T118-A121 PolarHBondContact O-N 3.17Å; A121-Y149 VanDerWaalsContact CB-O 3.32Å; A121-Y149 WeakPolarHBondContact CB-O 3.27Å; A121-V151 HydrophobicContact CB-CG2 4.1Å
122G86.9Confident83.2Confident35 Ų3556.1 Ų56.136%0.36132%0.315SS..THydrogen-bonded Turntrans-75-158.9176.500000114.6T118 L120 R155T118-G122 PolarHBondContact O-N 2.99Å; L120-G122 VanDerWaalsContact C-N 3.32Å; L120-G122 PolarHBondContact O-N 3.21Å; G122-R155 PolarHBondContact O-NH1 2.73Å
123T81.2Confident83.1Confident137 Ų13754.5 Ų54.584%0.8430%0.301SS*.THydrogen-bonded Turntrans-92.1-5-172.552.20000115R155T123-R155 PolarHBondContact O-NH2 2.8Å
124K83.6Confident83Confident98 Ų9853.5 Ų53.543%0.42630%0.297SS..  trans-56.2140.5-172.2-71.2-168.8-176.3168.50112.2D119 L129 R155D119-K124 HydrophobicContact CB-CD 3.95Å; D119-K124 VanDerWaalsContact CG-CD 3.49Å; D119-K124 WeakPolarHBondContact OD1-CD 3.48Å; D119-K124 WeakPolarHBondContact OD1-CE 3.42Å; D119-K124 IonicContact OD1-NZ 3.75Å; D119-K124 PolarHBondContact OD1-NZ 2.96Å; D119-K124 IonicContact OD2-NZ 2.71Å; D119-K124 PolarHBondContact OD2-NZ 3.16Å; K124-L129 HydrophobicContact CB-CD2 4.45Å; K124-R155 PolarHBondContact O-NH1 3.25Å; K124-R155 PolarHBondContact O-NH2 2.94Å
125P77.9Confident82.6Confident51 Ų5154.3 Ų54.333%0.33130%0.3SS..  trans-64136-177.6-25.135000113.3T127 H128 L129P125-T127 PolarHBondContact O-N 3.39Å; P125-T127 VanDerWaalsContact O-N 3.16Å; P125-H128 WeakPolarHBondContact O-CB 3.42Å; P125-H128 PolarHBondContact O-N 3.33Å; P125-L129 PolarHBondContact O-N 3.47Å
126L79.6Confident82.2Confident22 Ų2251.6 Ų51.612%0.11528%0.282CS..Hα-helixtrans-56.6-32.3176.4-59.9180000112.2L120 H128 L129 A130 R155 W158 E1693L120-L126 HydrophobicContact CD1-CD2 4.11Å; L126-H128 PolarHBondContact O-N 2.93Å; L126-H128 VanDerWaalsContact O-N 3.15Å; L126-L129 HydrophobicContact CD2-CD1 4.37Å; L126-L129 PolarHBondContact O-N 3.36Å; L126-A130 WeakPolarHBondContact O-CB 3.49Å; L126-A130 PolarHBondContact O-N 3.47Å; L126-R155 HydrophobicContact CD2-CG 4.26Å; L126-W158 HydrophobicContact CB-CD2 4.45Å; L126-W158 HydrophobicContact CB-CZ2 3.99Å; L126-W158 HydrophobicContact CD1-CB 4.44Å; L126-W158 HydrophobicContact CD1-CD2 4.12Å; L126-W158 HydrophobicContact CD1-CG 3.89Å; L126-W158 HydrophobicContact CD2-CD2 3.97Å; L126-W158 HydrophobicContact CD2-CE3 3.92Å; L126-W158 HydrophobicContact CD2-CG 4.47Å; L126-W158 HydrophobicContact CD2-CZ3 4.22Å; L126-W158 HydrophobicContact CG-CD2 4.41Å; L126-E1693 HydrophobicContact CD1-CB 4.3Å
127T72.8Confident81.6Confident64 Ų6455.5 Ų55.539%0.39331%0.312SS..Hα-helixtrans-58.5-24174.169.50000113.9P125 G1694P125-T127 PolarHBondContact O-N 3.39Å; P125-T127 VanDerWaalsContact O-N 3.16Å; T127-G1694 VanDerWaalsContact CG2-O 3.29Å; T127-G1694 WeakPolarHBondContact CG2-O 3.19Å
128H77.2Confident81.3Confident121 Ų12160.9 Ų60.956%0.5634%0.336SS*.Hα-helixtrans-92.1-40.2177.6-139.2121.3000111.2P125 L126 K131P125-H128 WeakPolarHBondContact O-CB 3.42Å; P125-H128 PolarHBondContact O-N 3.33Å; L126-H128 PolarHBondContact O-N 2.93Å; L126-H128 VanDerWaalsContact O-N 3.15Å; H128-K131 PolarHBondContact O-N 3.18Å
129L79.3Confident81.2Confident9 Ų958.8 Ų58.85%0.04732%0.32CS..Hα-helixtrans-68.5-33.6179.2-58.3179000112.5W116 D119 L120 K124 P125 L126 K131 K132 W158W116-L129 HydrophobicContact CZ2-CB 4.07Å; W116-L129 PolarHBondContact NE1-O 3.09Å; D119-L129 HydrophobicContact CB-CD2 3.94Å; L120-L129 HydrophobicContact CB-CD1 4.23Å; L120-L129 HydrophobicContact CD1-CD1 3.7Å; K124-L129 HydrophobicContact CB-CD2 4.45Å; P125-L129 PolarHBondContact O-N 3.47Å; L126-L129 HydrophobicContact CD2-CD1 4.37Å; L126-L129 PolarHBondContact O-N 3.36Å; L129-K131 PolarHBondContact O-N 2.72Å; L129-K132 CarbonylContact O-C 3.59Å; L129-K132 PolarHBondContact O-N 2.7Å; L129-K132 VanDerWaalsContact O-N 3.15Å; L129-W158 HydrophobicContact CB-CH2 4.14Å; L129-W158 HydrophobicContact CB-CZ3 4.46Å
130A76.1Confident81.1Confident32 Ų3258.7 Ų58.726%0.26432%0.318SS..G310 helixtrans-52.8-26176.900000114.3L126 K132 W158L126-A130 WeakPolarHBondContact O-CB 3.49Å; L126-A130 PolarHBondContact O-N 3.47Å; A130-K132 VanDerWaalsContact C-N 3.31Å; A130-K132 PolarHBondContact O-N 3.39Å; A130-W158 HydrophobicContact CB-CH2 4.28Å; A130-W158 HydrophobicContact CB-CZ2 3.97Å
131K72.6Confident81.1Confident124 Ų12461.6 Ų61.654%0.53933%0.332SS..G310 helixtrans-73.5-18-177.2-60.6178-178173.60114.3H128 L129H128-K131 PolarHBondContact O-N 3.18Å; L129-K131 PolarHBondContact O-N 2.72Å
132K76.8Confident81.1Confident136 Ų13660.2 Ų60.259%0.59132%0.32SS*.G310 helixtrans-152.960.7-174.3-68.7-167.4176.1-176.70110.7T106 W116 L129 A130T106-K132 HydrophobicContact CG2-CB 4.46Å; T106-K132 WeakPolarHBondContact OG1-CA 3.44Å; T106-K132 PolarHBondContact OG1-O 2.87Å; W116-K132 VanDerWaalsContact CD1-O 3.25Å; W116-K132 PolarHBondContact NE1-O 3.21Å; L129-K132 CarbonylContact O-C 3.59Å; L129-K132 PolarHBondContact O-N 2.7Å; L129-K132 VanDerWaalsContact O-N 3.15Å; A130-K132 VanDerWaalsContact C-N 3.31Å; A130-K132 PolarHBondContact O-N 3.39Å
133V79.1Confident81.5Confident4 Ų458.5 Ų58.52%0.02430%0.303CS..  trans-73.8132.4177.5-169.80000109.6L104 T106 W116 W158 L159L104-V133 HydrophobicContact CD2-CB 3.8Å; L104-V133 HydrophobicContact CD2-CG2 4Å; T106-V133 WeakPolarHBondContact CB-O 3.44Å; T106-V133 PolarHBondContact OG1-N 3.42Å; T106-V133 PolarHBondContact OG1-O 3.26Å; W116-V133 HydrophobicContact CH2-CG1 4.16Å; W116-V133 HydrophobicContact CZ2-CB 4.42Å; W116-V133 HydrophobicContact CZ2-CG1 4.07Å; W116-V133 HydrophobicContact CZ2-CG2 4.4Å; V133-W158 HydrophobicContact CG2-CH2 4.38Å; V133-L159 HydrophobicContact CG1-CD1 3.4Å; V133-L159 VanDerWaalsContact CG1-CD1 3.4Å
134P82.6Confident82Confident3 Ų352.9 Ų52.92%0.01927%0.272CS..  trans-65.3148.8170.3-23.134.6000112W116 F117W116-P134 HydrophobicContact CB-CG 4.18Å; W116-P134 HydrophobicContact CD2-CG 3.6Å; W116-P134 VanDerWaalsContact CE3-CD 3.43Å; W116-P134 HydrophobicContact CE3-CG 3.54Å; W116-P134 HydrophobicContact CG-CG 3.87Å; W116-P134 HydrophobicContact CZ3-CG 4.15Å; F117-P134 HydrophobicContact CE2-CB 4.43Å; F117-P134 HydrophobicContact CE2-CG 4.24Å
135I78Confident82.3Confident63 Ų6350.6 Ų50.632%0.32326%0.261SS..  trans-131.6123.2-177.5-54.2-175.3000108.8L104 Y166L104-I135 HydrophobicContact CB-CD1 4.17Å; I135-Y166 HydrophobicContact CD1-CD1 3.96Å; I135-Y166 HydrophobicContact CD1-CD2 3.72Å; I135-Y166 HydrophobicContact CD1-CE1 3.81Å; I135-Y166 HydrophobicContact CD1-CE2 3.52Å; I135-Y166 HydrophobicContact CD1-CG 3.9Å; I135-Y166 HydrophobicContact CG2-CD1 3.97Å; I135-Y166 HydrophobicContact CG2-CE1 3.51Å
136F80.5Confident83.1Confident19 Ų1948.2 Ų48.28%0.08325%0.245CC..  trans-89.3157-173.7-69.7-75.1000112.8F117 K138 E141 V142 Y145 Y167F117-F136 HydrophobicContact CE2-CE2 4.07Å; F117-F136 AromaticContact CE2-CZ 3.64Å; F117-F136 HydrophobicContact CE2-CZ 3.64Å; F117-F136 AromaticContact CZ-CE2 3.83Å; F117-F136 HydrophobicContact CZ-CE2 3.83Å; F117-F136 AromaticContact CZ-CZ 3.71Å; F117-F136 HydrophobicContact CZ-CZ 3.71Å; F136-K138 WeakPolarHBondContact CB-O 3.43Å; F136-E141 HydrophobicContact CB-CB 4.01Å; F136-E141 WeakPolarHBondContact CB-OE2 3.29Å; F136-E141 HydrophobicContact CD1-CB 3.66Å; F136-E141 WeakPolarHBondContact CD1-OE2 3.2Å; F136-E141 HydrophobicContact CE1-CB 4.43Å; F136-E141 HydrophobicContact CG-CB 3.95Å; F136-V142 HydrophobicContact CD2-CB 4.02Å; F136-V142 HydrophobicContact CD2-CG2 4.11Å; F136-V142 HydrophobicContact CE2-CB 4.13Å; F136-V142 HydrophobicContact CE2-CG2 3.86Å; F136-Y145 HydrophobicContact CD1-CD2 4.45Å; F136-Y145 HydrophobicContact CD1-CE2 4.31Å; F136-Y145 AromaticContact CE1-CD2 3.47Å; F136-Y145 HydrophobicContact CE1-CD2 3.47Å; F136-Y145 VanDerWaalsContact CE1-CD2 3.47Å; F136-Y145 AromaticContact CE1-CE2 3.46Å; F136-Y145 HydrophobicContact CE1-CE2 3.46Å; F136-Y145 VanDerWaalsContact CE1-CE2 3.46Å; F136-Y145 HydrophobicContact CE1-CG 4.14Å; F136-Y145 AromaticContact CZ-CD2 3.72Å; F136-Y145 HydrophobicContact CZ-CD2 3.72Å; F136-Y145 HydrophobicContact CZ-CE2 4.16Å; F136-Y145 AromaticContact CZ-CG 3.98Å; F136-Y145 HydrophobicContact CZ-CG 3.98Å; F136-Y167 PolarHBondContact O-OH 2.99Å
137S78.5Confident83.7Confident102 Ų10247.7 Ų47.771%0.71324%0.244SC*.SBendtrans-76.3-38.4-178.791.70000111.2E141S137-E141 PolarHBondContact N-OE2 3.05Å; S137-E141 PolarHBondContact OG-OE1 2.97Å
138K84.8Confident84.7Confident112 Ų11251.4 Ų51.449%0.48726%0.255SS..SBendtrans-116.2137.7169.7-58.1159.9143.4-138.90108.6F136 E140 E141F136-K138 WeakPolarHBondContact CB-O 3.43Å; K138-E140 HydrophobicContact CB-CG 3.89Å; K138-E140 HydrophobicContact CD-CG 4.46Å; K138-E140 WeakPolarHBondContact CD-OE1 3.27Å; K138-E140 IonicContact NZ-OE1 3.09Å; K138-E140 PolarHBondContact NZ-OE1 2.97Å; K138-E140 PolarHBondContact O-N 3.34Å; K138-E141 HydrophobicContact CB-CG 4.11Å; K138-E141 WeakPolarHBondContact CB-OE1 3.44Å; K138-E141 WeakPolarHBondContact CD-OE1 3.3Å; K138-E141 WeakPolarHBondContact CG-OE1 3.4Å; K138-E141 PolarHBondContact N-OE1 2.9Å; K138-E141 WeakPolarHBondContact O-CB 3.33Å; K138-E141 PolarHBondContact O-N 3.26Å; K138-E141 VanDerWaalsContact O-N 3.17Å
139K87.8Confident85.4Confident35 Ų3547.6 Ų47.615%0.15224%0.236CC..THydrogen-bonded Turntrans-57.6-35.1178.7-69.6177.2176.9176.90112.6E141 V142 Y167 E186 W187 I190K139-E141 VanDerWaalsContact C-N 3.28Å; K139-E141 PolarHBondContact O-N 3.49Å; K139-V142 VanDerWaalsContact O-CG1 3.27Å; K139-V142 WeakPolarHBondContact O-CG1 3.45Å; K139-V142 PolarHBondContact O-N 3.46Å; K139-Y167 HydrophobicContact CD-CD2 4.41Å; K139-Y167 HydrophobicContact CD-CE2 4.5Å; K139-Y167 HydrophobicContact CG-CD2 4.32Å; K139-Y167 HydrophobicContact CG-CE2 3.94Å; K139-E186 IonicContact NZ-OE1 3.49Å; K139-E186 PolarHBondContact NZ-OE1 3.44Å; K139-E186 IonicContact NZ-OE2 2.78Å; K139-E186 PolarHBondContact NZ-OE2 2.91Å; K139-W187 HydrophobicContact CB-CH2 4.22Å; K139-W187 HydrophobicContact CB-CZ3 4.46Å; K139-W187 HydrophobicContact CD-CZ2 4.3Å; K139-W187 HydrophobicContact CG-CH2 4.44Å; K139-I190 HydrophobicContact CB-CD1 3.93Å; K139-I190 HydrophobicContact CB-CG2 4.3Å; K139-I190 HydrophobicContact CD-CD1 3.59Å; K139-I190 HydrophobicContact CG-CD1 4.39Å
140E88.9Confident86.1Confident36 Ų3652.5 Ų52.517%0.16827%0.267CS..THydrogen-bonded Turntrans-63.8-22.4179.569.4-157.5-178.100114.8K138 V142 F143 I190 K193 Y194K138-E140 HydrophobicContact CB-CG 3.89Å; K138-E140 HydrophobicContact CD-CG 4.46Å; K138-E140 WeakPolarHBondContact CD-OE1 3.27Å; K138-E140 IonicContact NZ-OE1 3.09Å; K138-E140 PolarHBondContact NZ-OE1 2.97Å; K138-E140 PolarHBondContact O-N 3.34Å; E140-V142 PolarHBondContact O-N 2.99Å; E140-F143 PolarHBondContact O-N 3.49Å; E140-I190 HydrophobicContact CB-CG2 4.06Å; E140-K193 IonicContact OE1-NZ 3.26Å; E140-K193 IonicContact OE2-NZ 2.81Å; E140-K193 PolarHBondContact OE2-NZ 3.36Å; E140-Y194 HydrophobicContact CB-CD2 4.25Å
141E88.2Confident86.9Confident60 Ų6051 Ų5128%0.2825%0.254SS..Hα-helixtrans-60.3-30.1178-72.9159.8-160.200112.2F136 S137 K138 K139 F143 G144 Y145F136-E141 HydrophobicContact CB-CB 4.01Å; F136-E141 WeakPolarHBondContact CB-OE2 3.29Å; F136-E141 HydrophobicContact CD1-CB 3.66Å; F136-E141 WeakPolarHBondContact CD1-OE2 3.2Å; F136-E141 HydrophobicContact CE1-CB 4.43Å; F136-E141 HydrophobicContact CG-CB 3.95Å; S137-E141 PolarHBondContact N-OE2 3.05Å; S137-E141 PolarHBondContact OG-OE1 2.97Å; K138-E141 HydrophobicContact CB-CG 4.11Å; K138-E141 WeakPolarHBondContact CB-OE1 3.44Å; K138-E141 WeakPolarHBondContact CD-OE1 3.3Å; K138-E141 WeakPolarHBondContact CG-OE1 3.4Å; K138-E141 PolarHBondContact N-OE1 2.9Å; K138-E141 WeakPolarHBondContact O-CB 3.33Å; K138-E141 PolarHBondContact O-N 3.26Å; K138-E141 VanDerWaalsContact O-N 3.17Å; K139-E141 VanDerWaalsContact C-N 3.28Å; K139-E141 PolarHBondContact O-N 3.49Å; E141-F143 VanDerWaalsContact C-N 3.28Å; E141-F143 PolarHBondContact O-N 3.07Å; E141-G144 PolarHBondContact O-N 2.93Å; E141-Y145 WeakPolarHBondContact O-CD2 3.42Å
142V91.1Very high87.8Confident1 Ų148 Ų481%0.00625%0.247CC..Hα-helixtrans-60.5-35.8-174.478.50000112.7F136 K139 E140 G144 Y145 L146 L159 W187F136-V142 HydrophobicContact CD2-CB 4.02Å; F136-V142 HydrophobicContact CD2-CG2 4.11Å; F136-V142 HydrophobicContact CE2-CB 4.13Å; F136-V142 HydrophobicContact CE2-CG2 3.86Å; K139-V142 VanDerWaalsContact O-CG1 3.27Å; K139-V142 WeakPolarHBondContact O-CG1 3.45Å; K139-V142 PolarHBondContact O-N 3.46Å; E140-V142 PolarHBondContact O-N 2.99Å; V142-G144 VanDerWaalsContact C-N 3.31Å; V142-G144 PolarHBondContact O-N 3.29Å; V142-Y145 PolarHBondContact O-N 3.15Å; V142-L146 HydrophobicContact CG1-CD1 4.31Å; V142-L146 HydrophobicContact CG2-CD1 3.89Å; V142-L146 HydrophobicContact CG2-CG 4.18Å; V142-L146 WeakPolarHBondContact O-CB 3.29Å; V142-L146 VanDerWaalsContact O-CG 3.26Å; V142-L146 WeakPolarHBondContact O-CG 3.39Å; V142-L146 PolarHBondContact O-N 2.91Å; V142-L159 HydrophobicContact CG2-CD2 3.58Å; V142-L159 HydrophobicContact CG2-CG 4.11Å; V142-W187 HydrophobicContact CG1-CZ3 4.44Å
143F94.6Very high88.5Confident0 Ų043.6 Ų43.60%023%0.232CC..Hα-helixtrans-65.7-33.1-177.7-63.1-49.7000112.9E140 E141 A147 I160 W187 I190 I191 Y194 N237 L240E140-F143 PolarHBondContact O-N 3.49Å; E141-F143 VanDerWaalsContact C-N 3.28Å; E141-F143 PolarHBondContact O-N 3.07Å; F143-A147 WeakPolarHBondContact O-CB 3.49Å; F143-A147 PolarHBondContact O-N 2.65Å; F143-A147 VanDerWaalsContact O-N 3.09Å; F143-I160 HydrophobicContact CE1-CD1 3.86Å; F143-W187 HydrophobicContact CZ-CE3 4.41Å; F143-W187 HydrophobicContact CZ-CZ3 4.43Å; F143-I190 HydrophobicContact CE2-CG2 3.96Å; F143-I191 HydrophobicContact CE1-CB 4.46Å; F143-I191 HydrophobicContact CE1-CD1 3.83Å; F143-I191 HydrophobicContact CE1-CG1 3.96Å; F143-I191 HydrophobicContact CE2-CB 4.07Å; F143-I191 HydrophobicContact CE2-CG1 4.07Å; F143-I191 HydrophobicContact CZ-CB 3.68Å; F143-I191 HydrophobicContact CZ-CD1 3.92Å; F143-I191 HydrophobicContact CZ-CG1 3.62Å; F143-Y194 HydrophobicContact CB-CD1 3.77Å; F143-Y194 HydrophobicContact CB-CD2 4.22Å; F143-Y194 HydrophobicContact CB-CE1 3.6Å; F143-Y194 HydrophobicContact CB-CE2 4.02Å; F143-Y194 HydrophobicContact CB-CG 4.09Å; F143-Y194 AromaticContact CD2-CD1 3.99Å; F143-Y194 HydrophobicContact CD2-CD1 3.99Å; F143-Y194 AromaticContact CD2-CD2 3.95Å; F143-Y194 HydrophobicContact CD2-CD2 3.95Å; F143-Y194 AromaticContact CD2-CG 3.62Å; F143-Y194 HydrophobicContact CD2-CG 3.62Å; F143-Y194 HydrophobicContact CE2-CG 4.47Å; F143-Y194 HydrophobicContact CG-CD1 4.19Å; F143-Y194 HydrophobicContact CG-CE1 4.5Å; F143-Y194 HydrophobicContact CG-CG 4.26Å; F143-N237 WeakPolarHBondContact CB-OD1 3.33Å; F143-N237 VanDerWaalsContact CD1-OD1 3.32Å; F143-N237 WeakPolarHBondContact CD1-OD1 3.27Å; F143-N237 PolarHBondContact O-ND2 2.95Å; F143-L240 HydrophobicContact CD1-CD2 4.07Å; F143-L240 HydrophobicContact CE1-CD2 4.18Å
144G91.4Very high88.8Confident18 Ų1849.2 Ų49.219%0.18626%0.259CS..Hα-helixtrans-67.6-4217500000112.5E141 V142 K148 Y194E141-G144 PolarHBondContact O-N 2.93Å; V142-G144 VanDerWaalsContact C-N 3.31Å; V142-G144 PolarHBondContact O-N 3.29Å; G144-K148 WeakPolarHBondContact O-CB 3.49Å; G144-K148 PolarHBondContact O-N 3.23Å; G144-Y194 WeakPolarHBondContact CA-OH 3.01Å; G144-Y194 PolarHBondContact N-OH 3.15Å
145Y91.6Very high89.2Confident51 Ų5151.2 Ų51.220%0.227%0.266CS..Hα-helixtrans-71.5-43.1176.4-73.6-95.6000112.1Q110 I113 F117 F136 E141 V142 A147 K148 Y149Q110-Y145 PolarHBondContact NE2-OH 3.01Å; I113-Y145 HydrophobicContact CG2-CD1 4.19Å; I113-Y145 HydrophobicContact CG2-CE1 3.93Å; F117-Y145 HydrophobicContact CD2-CD1 4.32Å; F117-Y145 HydrophobicContact CE2-CD1 4.43Å; F117-Y145 HydrophobicContact CE2-CG 4.38Å; F117-Y145 HydrophobicContact CZ-CG 4.41Å; F136-Y145 HydrophobicContact CD1-CD2 4.45Å; F136-Y145 HydrophobicContact CD1-CE2 4.31Å; F136-Y145 AromaticContact CE1-CD2 3.47Å; F136-Y145 HydrophobicContact CE1-CD2 3.47Å; F136-Y145 VanDerWaalsContact CE1-CD2 3.47Å; F136-Y145 AromaticContact CE1-CE2 3.46Å; F136-Y145 HydrophobicContact CE1-CE2 3.46Å; F136-Y145 VanDerWaalsContact CE1-CE2 3.46Å; F136-Y145 HydrophobicContact CE1-CG 4.14Å; F136-Y145 AromaticContact CZ-CD2 3.72Å; F136-Y145 HydrophobicContact CZ-CD2 3.72Å; F136-Y145 HydrophobicContact CZ-CE2 4.16Å; F136-Y145 AromaticContact CZ-CG 3.98Å; F136-Y145 HydrophobicContact CZ-CG 3.98Å; E141-Y145 WeakPolarHBondContact O-CD2 3.42Å; V142-Y145 PolarHBondContact O-N 3.15Å; Y145-A147 VanDerWaalsContact C-N 3.32Å; Y145-A147 PolarHBondContact O-N 3.48Å; Y145-K148 PolarHBondContact O-N 3.18Å; Y145-Y149 HydrophobicContact CD1-CE2 4.31Å; Y145-Y149 WeakPolarHBondContact O-CD2 3.43Å; Y145-Y149 PolarHBondContact O-N 3.45Å
146L94Very high89.8Confident0 Ų048.2 Ų48.20%025%0.251CS..Hα-helixtrans-57.9-44.3177.5-73.8170000111.9F117 L120 V142 T150 V151 A156 L159 I160 Y236 L240F117-L146 HydrophobicContact CE1-CD2 4.03Å; F117-L146 HydrophobicContact CE1-CG 4.24Å; L120-L146 HydrophobicContact CD2-CD2 4.33Å; V142-L146 HydrophobicContact CG1-CD1 4.31Å; V142-L146 HydrophobicContact CG2-CD1 3.89Å; V142-L146 HydrophobicContact CG2-CG 4.18Å; V142-L146 WeakPolarHBondContact O-CB 3.29Å; V142-L146 VanDerWaalsContact O-CG 3.26Å; V142-L146 WeakPolarHBondContact O-CG 3.39Å; V142-L146 PolarHBondContact O-N 2.91Å; L146-T150 PolarHBondContact O-N 2.79Å; L146-T150 VanDerWaalsContact O-N 3.12Å; L146-V151 HydrophobicContact CD2-CB 3.83Å; L146-V151 HydrophobicContact CD2-CG1 3.95Å; L146-V151 HydrophobicContact CD2-CG2 3.98Å; L146-V151 PolarHBondContact O-N 2.64Å; L146-V151 VanDerWaalsContact O-N 3.09Å; L146-A156 HydrophobicContact CD1-CB 4Å; L146-A156 HydrophobicContact CD2-CB 3.61Å; L146-A156 HydrophobicContact CG-CB 4.33Å; L146-L159 HydrophobicContact CD2-CD2 4.04Å; L146-L159 HydrophobicContact CG-CD2 4.48Å; L146-I160 HydrophobicContact CD1-CD1 4.36Å; L146-Y236 HydrophobicContact CB-CE1 3.59Å; L146-L240 HydrophobicContact CD1-CD2 4.01Å
147A92.9Very high90.2Very high11 Ų1147.5 Ų47.59%0.09125%0.248CC..Hα-helixtrans-66.8-47.9174.300000112.6F143 Y145 Y149 T150 Q233 Y236F143-A147 WeakPolarHBondContact O-CB 3.49Å; F143-A147 PolarHBondContact O-N 2.65Å; F143-A147 VanDerWaalsContact O-N 3.09Å; Y145-A147 VanDerWaalsContact C-N 3.32Å; Y145-A147 PolarHBondContact O-N 3.48Å; A147-Y149 PolarHBondContact O-N 3.45Å; A147-T150 PolarHBondContact O-N 3.35Å; A147-Q233 HydrophobicContact CB-CG 4.12Å; A147-Y236 HydrophobicContact CB-CD1 3.64Å; A147-Y236 HydrophobicContact CB-CE1 4.45Å; A147-Y236 HydrophobicContact CB-CG 3.73Å
148K92.2Very high90.6Very high142 Ų14243.2 Ų43.262%0.61722%0.217SC*.Hα-helixtrans-57.3-35.1-179.5-179.8178.9178.5-176.90113.2G144 Y145G144-K148 WeakPolarHBondContact O-CB 3.49Å; G144-K148 PolarHBondContact O-N 3.23Å; Y145-K148 PolarHBondContact O-N 3.18Å
149Y93.2Very high90.7Very high42 Ų4237.9 Ų37.917%0.16519%0.193CC..THydrogen-bonded Turntrans-99.56.8178.9-72.5-85.9000113.6N114 F117 T118 A121 Y145 A147 V151N114-Y149 VanDerWaalsContact CB-OH 3.3Å; N114-Y149 WeakPolarHBondContact CB-OH 3.44Å; N114-Y149 VanDerWaalsContact CG-OH 3.24Å; N114-Y149 PolarHBondContact OD1-OH 2.92Å; F117-Y149 HydrophobicContact CB-CD1 4.11Å; F117-Y149 HydrophobicContact CB-CD2 3.56Å; F117-Y149 HydrophobicContact CB-CE1 4.46Å; F117-Y149 HydrophobicContact CB-CE2 3.96Å; F117-Y149 HydrophobicContact CB-CG 3.66Å; F117-Y149 HydrophobicContact CD1-CD2 4.42Å; F117-Y149 HydrophobicContact CG-CD2 4.17Å; T118-Y149 WeakPolarHBondContact OG1-CE1 3.43Å; A121-Y149 VanDerWaalsContact CB-O 3.32Å; A121-Y149 WeakPolarHBondContact CB-O 3.27Å; Y145-Y149 HydrophobicContact CD1-CE2 4.31Å; Y145-Y149 WeakPolarHBondContact O-CD2 3.43Å; Y145-Y149 PolarHBondContact O-N 3.45Å; A147-Y149 PolarHBondContact O-N 3.45Å; Y149-V151 PolarHBondContact O-N 2.85Å; Y149-V151 VanDerWaalsContact O-N 3.14Å
150T92.6Very high90.8Very high112 Ų11236.2 Ų36.269%0.68719%0.186SC*.THydrogen-bonded Turntrans48.440.4178.656.60000113.6L146 A147L146-T150 PolarHBondContact O-N 2.79Å; L146-T150 VanDerWaalsContact O-N 3.12Å; A147-T150 PolarHBondContact O-N 3.35Å
151V93.6Very high90.7Very high1 Ų135.3 Ų35.31%0.00618%0.182CC..  trans-63.2134-171.1174.70000110.4F117 L120 A121 L146 Y149 V153 R155 A156 Y236F117-V151 HydrophobicContact CD1-CG2 4.25Å; L120-V151 HydrophobicContact CD2-CG1 3.68Å; L120-V151 HydrophobicContact CD2-CG2 4.25Å; L120-V151 HydrophobicContact CG-CG1 3.79Å; A121-V151 HydrophobicContact CB-CG2 4.1Å; L146-V151 HydrophobicContact CD2-CB 3.83Å; L146-V151 HydrophobicContact CD2-CG1 3.95Å; L146-V151 HydrophobicContact CD2-CG2 3.98Å; L146-V151 PolarHBondContact O-N 2.64Å; L146-V151 VanDerWaalsContact O-N 3.09Å; Y149-V151 PolarHBondContact O-N 2.85Å; Y149-V151 VanDerWaalsContact O-N 3.14Å; V151-V153 PolarHBondContact O-N 3.41Å; V151-R155 HydrophobicContact CG1-CB 3.89Å; V151-A156 HydrophobicContact CG1-CB 4.26Å; V151-Y236 VanDerWaalsContact O-CE2 3.23Å; V151-Y236 WeakPolarHBondContact O-CE2 3.32Å; V151-Y236 PolarHBondContact O-OH 2.89Å
152P92.2Very high90.2Very high60 Ų6033 Ų3339%0.3917%0.171SC..  trans-55.5132177.1-27.435.1000112.4M154 R155 A156P152-M154 VanDerWaalsContact C-N 3.25Å; P152-M154 PolarHBondContact O-N 3.45Å; P152-R155 HydrophobicContact CB-CG 4.45Å; P152-R155 WeakPolarHBondContact O-CA 3.19Å; P152-R155 WeakPolarHBondContact O-CB 3.47Å; P152-R155 PolarHBondContact O-N 2.9Å; P152-A156 PolarHBondContact O-N 2.84Å
153V90.2Very high89.8Confident44 Ų4433.4 Ų33.427%0.26717%0.173SC..Hα-helixtrans-55.8-33-167.7-660000114.6V151 R155 A156 A157 L240 F243V151-V153 PolarHBondContact O-N 3.41Å; V153-R155 VanDerWaalsContact C-N 3.35Å; V153-R155 PolarHBondContact O-N 3.07Å; V153-A156 WeakPolarHBondContact O-CB 3.41Å; V153-A156 PolarHBondContact O-N 3.48Å; V153-A157 WeakPolarHBondContact O-CB 3.29Å; V153-A157 PolarHBondContact O-N 3.38Å; V153-L240 HydrophobicContact CB-CD1 4.31Å; V153-L240 HydrophobicContact CG1-CB 4.47Å; V153-F243 HydrophobicContact CB-CB 4.12Å; V153-F243 HydrophobicContact CB-CG 4.13Å; V153-F243 HydrophobicContact CG2-CB 4.03Å; V153-F243 HydrophobicContact CG2-CD2 3.8Å; V153-F243 HydrophobicContact CG2-CE2 4.49Å; V153-F243 HydrophobicContact CG2-CG 3.84Å
154M86.3Confident89.3Confident122 Ų12234 Ų3460%0.60118%0.178SC*.Hα-helixtrans-63.6-38.9174.1-56.5-167.7-62.100112.4P152 W158 F243P152-M154 VanDerWaalsContact C-N 3.25Å; P152-M154 PolarHBondContact O-N 3.45Å; M154-W158 WeakPolarHBondContact O-CB 3.29Å; M154-W158 PolarHBondContact O-N 3.16Å; M154-F243 HydrophobicContact CB-CZ 4.29Å; M154-F243 HydrophobicContact CG-CE2 3.75Å; M154-F243 HydrophobicContact CG-CZ 3.7Å
155R90.3Very high88.7Confident45 Ų4533.6 Ų33.617%0.1717%0.172CC..Hα-helixtrans-74.6-32.1176.7-62.8-171.1163.7-132.7-8.5112L120 G122 T123 K124 L126 V151 P152 V153 W158 L159L120-R155 HydrophobicContact CD1-CB 4.08Å; L120-R155 HydrophobicContact CG-CB 4.3Å; L120-R155 WeakPolarHBondContact O-CD 3.3Å; L120-R155 PolarHBondContact O-NH1 2.68Å; G122-R155 PolarHBondContact O-NH1 2.73Å; T123-R155 PolarHBondContact O-NH2 2.8Å; K124-R155 PolarHBondContact O-NH1 3.25Å; K124-R155 PolarHBondContact O-NH2 2.94Å; L126-R155 HydrophobicContact CD2-CG 4.26Å; V151-R155 HydrophobicContact CG1-CB 3.89Å; P152-R155 HydrophobicContact CB-CG 4.45Å; P152-R155 WeakPolarHBondContact O-CA 3.19Å; P152-R155 WeakPolarHBondContact O-CB 3.47Å; P152-R155 PolarHBondContact O-N 2.9Å; V153-R155 VanDerWaalsContact C-N 3.35Å; V153-R155 PolarHBondContact O-N 3.07Å; R155-W158 PolarHBondContact O-N 2.7Å; R155-L159 PolarHBondContact O-N 3.49Å
156A91Very high88Confident0 Ų033.7 Ų33.70%017%0.172CC..Hα-helixtrans-65.5-48.5171.800000111.6L146 V151 P152 V153 W158 L159 I160 Y236 L240L146-A156 HydrophobicContact CD1-CB 4Å; L146-A156 HydrophobicContact CD2-CB 3.61Å; L146-A156 HydrophobicContact CG-CB 4.33Å; V151-A156 HydrophobicContact CG1-CB 4.26Å; P152-A156 PolarHBondContact O-N 2.84Å; V153-A156 WeakPolarHBondContact O-CB 3.41Å; V153-A156 PolarHBondContact O-N 3.48Å; A156-W158 VanDerWaalsContact C-N 3.31Å; A156-W158 PolarHBondContact O-N 3.4Å; A156-L159 WeakPolarHBondContact O-CB 3.38Å; A156-L159 PolarHBondContact O-N 2.89Å; A156-L159 VanDerWaalsContact O-N 3.15Å; A156-I160 WeakPolarHBondContact O-CG1 3.32Å; A156-I160 PolarHBondContact O-N 3.3Å; A156-Y236 WeakPolarHBondContact CB-OH 3.32Å; A156-L240 HydrophobicContact CB-CD1 3.72Å; A156-L240 HydrophobicContact CB-CD2 4.19Å
157A89.1Confident87.2Confident3 Ų336.8 Ų36.83%0.02519%0.185CC..Hα-helixtrans-60.2-39173.500000112V153 I160 K161 F243 M249V153-A157 WeakPolarHBondContact O-CB 3.29Å; V153-A157 PolarHBondContact O-N 3.38Å; A157-I160 PolarHBondContact O-N 2.87Å; A157-K161 WeakPolarHBondContact O-CG 3.37Å; A157-K161 PolarHBondContact O-N 3.01Å; A157-F243 HydrophobicContact CB-CD1 3.84Å; A157-F243 HydrophobicContact CB-CE1 3.59Å; A157-M249 HydrophobicContact CB-SD 4.06Å
158W86.9Confident86.4Confident13 Ų1337.8 Ų37.85%0.04919%0.193CC..Hα-helixtrans-60.3-43172.4175.692000112.7W116 L120 L126 L129 A130 V133 M154 R155 A156 I160 K161 M162 E1693W116-W158 HydrophobicContact CH2-CZ3 4.31Å; W116-W158 HydrophobicContact CZ2-CZ3 4.2Å; L120-W158 HydrophobicContact CD1-CE3 4.15Å; L120-W158 HydrophobicContact CD1-CZ3 4.09Å; L126-W158 HydrophobicContact CB-CD2 4.45Å; L126-W158 HydrophobicContact CB-CZ2 3.99Å; L126-W158 HydrophobicContact CD1-CB 4.44Å; L126-W158 HydrophobicContact CD1-CD2 4.12Å; L126-W158 HydrophobicContact CD1-CG 3.89Å; L126-W158 HydrophobicContact CD2-CD2 3.97Å; L126-W158 HydrophobicContact CD2-CE3 3.92Å; L126-W158 HydrophobicContact CD2-CG 4.47Å; L126-W158 HydrophobicContact CD2-CZ3 4.22Å; L126-W158 HydrophobicContact CG-CD2 4.41Å; L129-W158 HydrophobicContact CB-CH2 4.14Å; L129-W158 HydrophobicContact CB-CZ3 4.46Å; A130-W158 HydrophobicContact CB-CH2 4.28Å; A130-W158 HydrophobicContact CB-CZ2 3.97Å; V133-W158 HydrophobicContact CG2-CH2 4.38Å; M154-W158 WeakPolarHBondContact O-CB 3.29Å; M154-W158 PolarHBondContact O-N 3.16Å; R155-W158 PolarHBondContact O-N 2.7Å; A156-W158 VanDerWaalsContact C-N 3.31Å; A156-W158 PolarHBondContact O-N 3.4Å; W158-I160 VanDerWaalsContact C-N 3.33Å; W158-I160 PolarHBondContact O-N 3.21Å; W158-K161 PolarHBondContact O-N 3.31Å; W158-M162 HydrophobicContact CD2-CG 4.06Å; W158-M162 HydrophobicContact CE3-CG 4.31Å; W158-M162 HydrophobicContact CH2-CG 4.1Å; W158-M162 HydrophobicContact CZ2-CG 3.83Å; W158-M162 HydrophobicContact CZ2-SD 4.03Å; W158-M162 HydrophobicContact CZ3-CG 4.33Å; W158-M162 WeakPolarHBondContact O-CB 3.37Å; W158-M162 VanDerWaalsContact O-CG 3.3Å; W158-M162 WeakPolarHBondContact O-CG 3.33Å; W158-M162 PolarHBondContact O-N 2.87Å; W158-E1693 PolarHBondContact NE1-O 3.23Å
159L87.3Confident85.4Confident0 Ų032 Ų320%017%0.171CC..Hα-helixtrans-62.8-39173.1171.459.7000111.7W116 F117 L120 V133 V142 L146 R155 A156 M162 T163W116-L159 HydrophobicContact CH2-CD1 3.9Å; W116-L159 HydrophobicContact CH2-CD2 4.26Å; W116-L159 HydrophobicContact CZ3-CD1 4.35Å; W116-L159 HydrophobicContact CZ3-CD2 4.05Å; F117-L159 HydrophobicContact CE1-CD2 3.82Å; F117-L159 HydrophobicContact CZ-CD2 3.7Å; L120-L159 HydrophobicContact CD2-CB 4.33Å; L120-L159 HydrophobicContact CD2-CD2 4.12Å; V133-L159 HydrophobicContact CG1-CD1 3.4Å; V133-L159 VanDerWaalsContact CG1-CD1 3.4Å; V142-L159 HydrophobicContact CG2-CD2 3.58Å; V142-L159 HydrophobicContact CG2-CG 4.11Å; L146-L159 HydrophobicContact CD2-CD2 4.04Å; L146-L159 HydrophobicContact CG-CD2 4.48Å; R155-L159 PolarHBondContact O-N 3.49Å; A156-L159 WeakPolarHBondContact O-CB 3.38Å; A156-L159 PolarHBondContact O-N 2.89Å; A156-L159 VanDerWaalsContact O-N 3.15Å; L159-M162 PolarHBondContact O-N 3.27Å; L159-T163 WeakPolarHBondContact O-CB 3.49Å; L159-T163 PolarHBondContact O-N 3.24Å; L159-T163 PolarHBondContact O-OG1 3.46Å
160I89.3Confident84.4Confident0 Ų033.3 Ų33.30%018%0.18CC..Hα-helixtrans-65.7-43.8176.9-70.3167.6000111.1F143 L146 A156 A157 W158 T163 C164 W187 L240 M244 M249 W1689F143-I160 HydrophobicContact CE1-CD1 3.86Å; L146-I160 HydrophobicContact CD1-CD1 4.36Å; A156-I160 WeakPolarHBondContact O-CG1 3.32Å; A156-I160 PolarHBondContact O-N 3.3Å; A157-I160 PolarHBondContact O-N 2.87Å; W158-I160 VanDerWaalsContact C-N 3.33Å; W158-I160 PolarHBondContact O-N 3.21Å; I160-T163 PolarHBondContact O-N 3.26Å; I160-C164 WeakPolarHBondContact O-CB 3.42Å; I160-C164 PolarHBondContact O-N 2.92Å; I160-W187 HydrophobicContact CG1-CZ3 4.26Å; I160-W187 HydrophobicContact CG2-CD2 3.79Å; I160-W187 HydrophobicContact CG2-CE3 3.74Å; I160-W187 HydrophobicContact CG2-CG 4.41Å; I160-W187 HydrophobicContact CG2-CH2 4.07Å; I160-W187 HydrophobicContact CG2-CZ2 4.12Å; I160-W187 HydrophobicContact CG2-CZ3 3.89Å; I160-L240 HydrophobicContact CD1-CD2 4.01Å; I160-M244 HydrophobicContact CD1-CE 4.16Å; I160-M244 HydrophobicContact CD1-SD 3.71Å; I160-M244 HydrophobicContact CG2-CE 3.92Å; I160-M249 HydrophobicContact CG2-CE 4.06Å; I160-W1689 HydrophobicContact CG2-CH2 3.8Å; I160-W1689 HydrophobicContact CG2-CZ3 3.89Å
161K85.5Confident83.4Confident17 Ų1730.7 Ų30.77%0.07417%0.166CC..Hα-helixtrans-61-45.1172.9-67.5-175-169.8-170.60111.7A157 W158 T163 C164 A165 D247 M249 P1688 W1689 F1692A157-K161 WeakPolarHBondContact O-CG 3.37Å; A157-K161 PolarHBondContact O-N 3.01Å; W158-K161 PolarHBondContact O-N 3.31Å; K161-T163 VanDerWaalsContact C-N 3.35Å; K161-T163 PolarHBondContact O-N 2.92Å; K161-C164 PolarHBondContact O-N 3.26Å; K161-A165 WeakPolarHBondContact O-CB 3.38Å; K161-A165 PolarHBondContact O-N 3.39Å; K161-D247 IonicContact NZ-OD2 3.72Å; K161-D247 PolarHBondContact NZ-OD2 2.78Å; K161-M249 HydrophobicContact CD-CE 4.23Å; K161-M249 HydrophobicContact CD-SD 4.46Å; K161-M249 WeakPolarHBondContact CE-SD 3.44Å; K161-M249 HydrophobicContact CG-CE 3.56Å; K161-M249 HydrophobicContact CG-SD 4.39Å; K161-P1688 WeakPolarHBondContact CE-O 3.46Å; K161-P1688 PolarHBondContact NZ-O 2.94Å; K161-W1689 HydrophobicContact CG-CE3 4.1Å; K161-W1689 HydrophobicContact CG-CZ3 4.29Å; K161-F1692 HydrophobicContact CB-CD1 4.26Å; K161-F1692 HydrophobicContact CB-CE1 3.86Å
162M79Confident82.1Confident11 Ų1136.6 Ų36.65%0.05419%0.193CC..Hα-helixtrans-59-42.7173.6-74.4-78.410300112.4F102 W158 L159 A165 Y166 F1692F102-M162 HydrophobicContact CE1-CE 3.88Å; F102-M162 HydrophobicContact CE1-SD 4.22Å; F102-M162 HydrophobicContact CZ-CE 4.36Å; W158-M162 HydrophobicContact CD2-CG 4.06Å; W158-M162 HydrophobicContact CE3-CG 4.31Å; W158-M162 HydrophobicContact CH2-CG 4.1Å; W158-M162 HydrophobicContact CZ2-CG 3.83Å; W158-M162 HydrophobicContact CZ2-SD 4.03Å; W158-M162 HydrophobicContact CZ3-CG 4.33Å; W158-M162 WeakPolarHBondContact O-CB 3.37Å; W158-M162 VanDerWaalsContact O-CG 3.3Å; W158-M162 WeakPolarHBondContact O-CG 3.33Å; W158-M162 PolarHBondContact O-N 2.87Å; L159-M162 PolarHBondContact O-N 3.27Å; M162-A165 PolarHBondContact O-N 3.4Å; M162-Y166 PolarHBondContact O-N 3.01Å; M162-F1692 HydrophobicContact CE-CB 4.41Å; M162-F1692 HydrophobicContact CE-CD1 3.3Å; M162-F1692 HydrophobicContact CE-CE1 3.75Å; M162-F1692 HydrophobicContact CE-CG 4.03Å
163T83.3Confident80.8Confident9 Ų937 Ų376%0.05520%0.195CC..Hα-helixtrans-66.6-42.7178.7-57.40000110.9L159 I160 K161 Y166 Y167 W187L159-T163 WeakPolarHBondContact O-CB 3.49Å; L159-T163 PolarHBondContact O-N 3.24Å; L159-T163 PolarHBondContact O-OG1 3.46Å; I160-T163 PolarHBondContact O-N 3.26Å; K161-T163 VanDerWaalsContact C-N 3.35Å; K161-T163 PolarHBondContact O-N 2.92Å; T163-Y166 PolarHBondContact O-N 3.4Å; T163-Y167 HydrophobicContact CG2-CD2 3.87Å; T163-Y167 HydrophobicContact CG2-CE2 3.82Å; T163-Y167 VanDerWaalsContact O-CD2 3.27Å; T163-Y167 WeakPolarHBondContact O-CD2 3.47Å; T163-Y167 PolarHBondContact O-N 3.37Å; T163-Y167 VanDerWaalsContact O-N 3.07Å; T163-W187 HydrophobicContact CG2-CH2 3.94Å; T163-W187 HydrophobicContact CG2-CZ2 4.01Å
164C84.1Confident79.3Confident14 Ų1441.8 Ų41.810%0.09521%0.212CC..Hα-helixtrans-61.4-47.4174.7-172.40000111.7I160 K161 Y166 Y167 A168 W187 W1689I160-C164 WeakPolarHBondContact O-CB 3.42Å; I160-C164 PolarHBondContact O-N 2.92Å; K161-C164 PolarHBondContact O-N 3.26Å; C164-Y166 VanDerWaalsContact C-N 3.33Å; C164-Y166 PolarHBondContact O-N 2.91Å; C164-Y167 PolarHBondContact O-N 2.95Å; C164-Y167 VanDerWaalsContact O-N 3.17Å; C164-A168 PolarHBondContact O-N 3.22Å; C164-W187 HydrophobicContact CB-CZ2 4.33Å; C164-W1689 HydrophobicContact CB-CE3 3.87Å; C164-W1689 HydrophobicContact CB-CZ3 3.66Å
165A77.3Confident77.6Confident8 Ų842.9 Ų42.97%0.06623%0.226CC..Hα-helixtrans-58.8-41.6176.700000112.7F102 K161 M162 A168 A169 F1692F102-A165 HydrophobicContact CE1-CB 4.13Å; F102-A165 HydrophobicContact CZ-CB 4.12Å; K161-A165 WeakPolarHBondContact O-CB 3.38Å; K161-A165 PolarHBondContact O-N 3.39Å; M162-A165 PolarHBondContact O-N 3.4Å; A165-A168 PolarHBondContact O-N 3.28Å; A165-A169 PolarHBondContact O-N 2.91Å; A165-F1692 HydrophobicContact CB-CE1 4.05Å; A165-F1692 HydrophobicContact CB-CZ 3.81Å
166Y77Confident75.8Confident53 Ų5349.8 Ų49.821%0.20826%0.257CS..Hα-helixtrans-60.9-47.3173.6168.6-100.7000112.6L104 I135 M162 T163 C164 A168 A169 M170L104-Y166 HydrophobicContact CB-CD2 4.23Å; L104-Y166 HydrophobicContact CB-CE2 4.46Å; L104-Y166 HydrophobicContact CD1-CD2 3.51Å; L104-Y166 HydrophobicContact CD1-CE2 4.49Å; L104-Y166 HydrophobicContact CD1-CG 4.01Å; I135-Y166 HydrophobicContact CD1-CD1 3.96Å; I135-Y166 HydrophobicContact CD1-CD2 3.72Å; I135-Y166 HydrophobicContact CD1-CE1 3.81Å; I135-Y166 HydrophobicContact CD1-CE2 3.52Å; I135-Y166 HydrophobicContact CD1-CG 3.9Å; I135-Y166 HydrophobicContact CG2-CD1 3.97Å; I135-Y166 HydrophobicContact CG2-CE1 3.51Å; M162-Y166 PolarHBondContact O-N 3.01Å; T163-Y166 PolarHBondContact O-N 3.4Å; C164-Y166 VanDerWaalsContact C-N 3.33Å; C164-Y166 PolarHBondContact O-N 2.91Å; Y166-A168 VanDerWaalsContact C-N 3.31Å; Y166-A168 PolarHBondContact O-N 3.11Å; Y166-A169 PolarHBondContact O-N 3.47Å; Y166-M170 HydrophobicContact CD2-CE 4.37Å; Y166-M170 HydrophobicContact CE2-CE 3.52Å; Y166-M170 VanDerWaalsContact O-CB 3.32Å; Y166-M170 WeakPolarHBondContact O-CB 3.23Å; Y166-M170 PolarHBondContact O-N 2.9Å
167Y78.4Confident74Confident66 Ų6660.7 Ų60.726%0.25930%0.304SS..Hα-helixtrans-67.6-31.9179.6-82.6-69.6000112.4F136 K139 T163 C164 S171F136-Y167 PolarHBondContact O-OH 2.99Å; K139-Y167 HydrophobicContact CD-CD2 4.41Å; K139-Y167 HydrophobicContact CD-CE2 4.5Å; K139-Y167 HydrophobicContact CG-CD2 4.32Å; K139-Y167 HydrophobicContact CG-CE2 3.94Å; T163-Y167 HydrophobicContact CG2-CD2 3.87Å; T163-Y167 HydrophobicContact CG2-CE2 3.82Å; T163-Y167 VanDerWaalsContact O-CD2 3.27Å; T163-Y167 WeakPolarHBondContact O-CD2 3.47Å; T163-Y167 PolarHBondContact O-N 3.37Å; T163-Y167 VanDerWaalsContact O-N 3.07Å; C164-Y167 PolarHBondContact O-N 2.95Å; C164-Y167 VanDerWaalsContact O-N 3.17Å; Y167-S171 WeakPolarHBondContact O-CB 3.45Å; Y167-S171 PolarHBondContact O-N 3.31Å; Y167-S171 VanDerWaalsContact O-N 3.09Å
168A76.3Confident72.2Confident31 Ų3169.8 Ų69.826%0.25634%0.343SS..Hα-helixtrans-60.7-54.9168.900000111C164 A165 Y166 M170 S171 E172C164-A168 PolarHBondContact O-N 3.22Å; A165-A168 PolarHBondContact O-N 3.28Å; Y166-A168 VanDerWaalsContact C-N 3.31Å; Y166-A168 PolarHBondContact O-N 3.11Å; A168-M170 VanDerWaalsContact C-N 3.26Å; A168-M170 PolarHBondContact O-N 3.34Å; A168-S171 WeakPolarHBondContact O-CA 3.47Å; A168-S171 WeakPolarHBondContact O-CB 3.31Å; A168-S171 PolarHBondContact O-N 2.81Å; A168-S171 PolarHBondContact O-OG 3.29Å; A168-E172 PolarHBondContact O-N 2.71Å
169A71.2Confident70.8Confident20 Ų2076.7 Ų76.717%0.16538%0.381CS..Hα-helixtrans-54.3-41.3177.100000112.9Q98 A165 Y166 S171 T173Q98-A169 HydrophobicContact CB-CB 4.05Å; Q98-A169 VanDerWaalsContact OE1-N 3.11Å; A165-A169 PolarHBondContact O-N 2.91Å; Y166-A169 PolarHBondContact O-N 3.47Å; A169-S171 PolarHBondContact O-N 3.03Å; A169-T173 WeakPolarHBondContact O-CG2 3.13Å; A169-T173 PolarHBondContact O-N 2.72Å; A169-T173 PolarHBondContact O-OG1 3.24Å
170M72.2Confident69.6Low70 Ų7082.2 Ų82.235%0.34542%0.415SS..Hα-helixtrans-75.7-12.7-179.3-157.65656.900113.4Y166 A168 T173Y166-M170 HydrophobicContact CD2-CE 4.37Å; Y166-M170 HydrophobicContact CE2-CE 3.52Å; Y166-M170 VanDerWaalsContact O-CB 3.32Å; Y166-M170 WeakPolarHBondContact O-CB 3.23Å; Y166-M170 PolarHBondContact O-N 2.9Å; A168-M170 VanDerWaalsContact C-N 3.26Å; A168-M170 PolarHBondContact O-N 3.34Å; M170-T173 WeakPolarHBondContact CA-OG1 3.43Å
171S71.1Confident68.7Low57 Ų5784.7 Ų84.740%0.39944%0.436SS..Hα-helixtrans-90.7-44.8171.575.50000111.9Y167 A168 A169 T173 K174Y167-S171 WeakPolarHBondContact O-CB 3.45Å; Y167-S171 PolarHBondContact O-N 3.31Å; Y167-S171 VanDerWaalsContact O-N 3.09Å; A168-S171 WeakPolarHBondContact O-CA 3.47Å; A168-S171 WeakPolarHBondContact O-CB 3.31Å; A168-S171 PolarHBondContact O-N 2.81Å; A168-S171 PolarHBondContact O-OG 3.29Å; A169-S171 PolarHBondContact O-N 3.03Å; S171-T173 PolarHBondContact O-N 3.38Å; S171-K174 PolarHBondContact O-N 2.9Å
172E66.5Low68.5Low125 Ų12587 Ų8758%0.58445%0.449SS*.Hα-helixtrans-60.8-32.6176.7-68.2-169.2160.600112.3A168 K174A168-E172 PolarHBondContact O-N 2.71Å; E172-K174 PolarHBondContact O-N 3.26Å
173T65Low68.8Low70 Ų7088.1 Ų88.143%0.42946%0.457SS..THydrogen-bonded Turntrans-75.8-4.1177.146.20000114.7A169 M170 S171A169-T173 WeakPolarHBondContact O-CG2 3.13Å; A169-T173 PolarHBondContact O-N 2.72Å; A169-T173 PolarHBondContact O-OG1 3.24Å; M170-T173 WeakPolarHBondContact CA-OG1 3.43Å; S171-T173 PolarHBondContact O-N 3.38Å
174K57.4Low69Low144 Ų14488.3 Ų88.363%0.62646%0.457SS*.SBendtrans-112.4103.5177-71179.4-179175.80110.4S171 E172 K176S171-K174 PolarHBondContact O-N 2.9Å; E172-K174 PolarHBondContact O-N 3.26Å; K174-K176 VanDerWaalsContact C-N 3.25Å; K174-K176 PolarHBondContact O-N 3.03Å
175V52.3Low69.2Low145 Ų14589.4 Ų89.488%0.87946%0.463SS*.  trans-74.461.6-166.7-162.10000114
176K51.5Low69.8Low190 Ų19091.5 Ų91.583%0.82647%0.472SS*.SBendtrans-135.5118.5165-76.1-169.2174.3-176.40109.8K174 K178K174-K176 VanDerWaalsContact C-N 3.25Å; K174-K176 PolarHBondContact O-N 3.03Å; K176-K178 PolarHBondContact O-N 3.5Å
177K52.8Low70.5Confident228 Ų22889 Ų8999%0.99146%0.462SS*.  trans-57.9104174-73.6-177.6176.2-179.60110.3
178K51.7Low71.2Confident194 Ų19485.8 Ų85.884%0.84345%0.449SS*.  trans-128.6147.1160.4-152.5175.5-174.4-175.70105.9K176 T180K176-K178 PolarHBondContact O-N 3.5Å; K178-T180 PolarHBondContact O-N 2.92Å; K178-T180 VanDerWaalsContact O-N 3.15Å
179N57.3Low72Confident159 Ų15989.2 Ų89.285%0.8546%0.46SS*.PPolyproline II helixtrans-52.8125.8-178.9-847.4000110.1A181N179-A181 PolarHBondContact O-N 3.33Å
180T62.5Low73.1Confident115 Ų11589.4 Ų89.471%0.70646%0.458SS*.PPolyproline II helixtrans-57.8119.4165.7-45.70000107K178 D182K178-T180 PolarHBondContact O-N 2.92Å; K178-T180 VanDerWaalsContact O-N 3.15Å; T180-D182 PolarHBondContact O-N 2.87Å
181A70.2Confident74.2Confident53 Ų5386.1 Ų86.144%0.43844%0.442SS..PPolyproline II helixtrans-62.8131.217800000108.8N179 P183 E186N179-A181 PolarHBondContact O-N 3.33Å; A181-P183 WeakPolarHBondContact O-CD 3.32Å; A181-E186 HydrophobicContact CB-CB 4.37Å; A181-E186 HydrophobicContact CB-CG 4.39Å
182D81.9Confident75.3Confident65 Ų6584 Ų8435%0.34843%0.427SS..PPolyproline II helixtrans-68.8120.7-179.1179.844.9000109.9T180 F184 T185 E186 K1644T180-D182 PolarHBondContact O-N 2.87Å; D182-F184 PolarHBondContact O-N 3.36Å; D182-F184 VanDerWaalsContact O-N 3.15Å; D182-F184 WeakPolarHBondContact OD1-CD2 3.45Å; D182-T185 PolarHBondContact O-N 2.92Å; D182-E186 WeakPolarHBondContact O-CB 3.45Å; D182-E186 PolarHBondContact O-N 2.71Å; D182-K1644 IonicContact OD2-NZ 3.69Å; D182-K1644 PolarHBondContact OD2-NZ 3.04Å
183P85.7Confident76.6Confident35 Ų3582.3 Ų82.323%0.22742%0.417CS..Hα-helixtrans-56.4-33.9-173.4-30.638000114.7A181 W187 W1689A181-P183 WeakPolarHBondContact O-CD 3.32Å; P183-W187 WeakPolarHBondContact O-CB 3.39Å; P183-W187 PolarHBondContact O-N 3.28Å; P183-W1689 HydrophobicContact CB-CD2 3.7Å; P183-W1689 HydrophobicContact CB-CE3 4.28Å; P183-W1689 HydrophobicContact CB-CG 3.83Å; P183-W1689 HydrophobicContact CB-CZ2 4.31Å
184F87.6Confident78Confident12 Ų1280 Ų805%0.05340%0.401CS..Hα-helixtrans-62.4-56.3178.4-57.2-98.9000110.9D182 T188 G248 M249 D251 K1644 S1687 W1689D182-F184 PolarHBondContact O-N 3.36Å; D182-F184 VanDerWaalsContact O-N 3.15Å; D182-F184 WeakPolarHBondContact OD1-CD2 3.45Å; F184-T188 WeakPolarHBondContact O-CB 3.26Å; F184-T188 PolarHBondContact O-N 3.01Å; F184-T188 PolarHBondContact O-OG1 3.27Å; F184-G248 WeakPolarHBondContact CE1-O 3.38Å; F184-M249 WeakPolarHBondContact CA-O 3.31Å; F184-M249 WeakPolarHBondContact CD1-O 3.49Å; F184-D251 HydrophobicContact CB-CB 4.23Å; F184-K1644 HydrophobicContact CB-CD 4.32Å; F184-K1644 HydrophobicContact CD2-CD 4.16Å; F184-K1644 HydrophobicContact CG-CD 4.14Å; F184-S1687 WeakPolarHBondContact CZ-OG 3.42Å; F184-W1689 AromaticContact CD1-NE1 3.84Å; F184-W1689 AromaticContact CE1-CD1 3.99Å; F184-W1689 AromaticContact CE2-CD1 3.99Å; F184-W1689 AromaticContact CG-NE1 3.91Å; F184-W1689 AromaticContact CZ-CD1 3.91Å
185T86.6Confident79.7Confident37 Ų3773.3 Ų73.323%0.22737%0.372CS..Hα-helixtrans-66.8-41.7179-73.80000112D182 T188 Q189 E254D182-T185 PolarHBondContact O-N 2.92Å; T185-T188 PolarHBondContact O-N 3.09Å; T185-Q189 HydrophobicContact CG2-CG 4.48Å; T185-Q189 WeakPolarHBondContact O-CB 3.33Å; T185-Q189 VanDerWaalsContact O-CG 3.32Å; T185-Q189 WeakPolarHBondContact O-CG 3.35Å; T185-Q189 PolarHBondContact O-N 2.88Å; T185-E254 WeakPolarHBondContact CA-OE2 3.33Å; T185-E254 WeakPolarHBondContact CB-OE2 3.28Å; T185-E254 WeakPolarHBondContact CG2-OE2 3.47Å; T185-E254 PolarHBondContact OG1-OE2 2.91Å; T185-E254 VanDerWaalsContact OG1-OE2 3.06Å
186E89.9Confident81.6Confident52 Ų5269.6 Ų69.624%0.24334%0.342CS..Hα-helixtrans-62.1-49.3-179.6-164.2-164.9-146.500111.7K139 A181 D182 Q189 I190K139-E186 IonicContact NZ-OE1 3.49Å; K139-E186 PolarHBondContact NZ-OE1 3.44Å; K139-E186 IonicContact NZ-OE2 2.78Å; K139-E186 PolarHBondContact NZ-OE2 2.91Å; A181-E186 HydrophobicContact CB-CB 4.37Å; A181-E186 HydrophobicContact CB-CG 4.39Å; D182-E186 WeakPolarHBondContact O-CB 3.45Å; D182-E186 PolarHBondContact O-N 2.71Å; E186-Q189 PolarHBondContact O-N 3.17Å; E186-I190 HydrophobicContact CG-CD1 3.86Å; E186-I190 WeakPolarHBondContact O-CD1 3.38Å; E186-I190 VanDerWaalsContact O-CG1 3.23Å; E186-I190 WeakPolarHBondContact O-CG1 3.47Å; E186-I190 PolarHBondContact O-N 3.24Å
187W92.2Very high83.5Confident0 Ų064.1 Ų64.10%032%0.319CS..Hα-helixtrans-76.3-26.8-179.7-73.695.7000113.4K139 V142 F143 I160 T163 C164 P183 I191 M244 W1689K139-W187 HydrophobicContact CB-CH2 4.22Å; K139-W187 HydrophobicContact CB-CZ3 4.46Å; K139-W187 HydrophobicContact CD-CZ2 4.3Å; K139-W187 HydrophobicContact CG-CH2 4.44Å; V142-W187 HydrophobicContact CG1-CZ3 4.44Å; F143-W187 HydrophobicContact CZ-CE3 4.41Å; F143-W187 HydrophobicContact CZ-CZ3 4.43Å; I160-W187 HydrophobicContact CG1-CZ3 4.26Å; I160-W187 HydrophobicContact CG2-CD2 3.79Å; I160-W187 HydrophobicContact CG2-CE3 3.74Å; I160-W187 HydrophobicContact CG2-CG 4.41Å; I160-W187 HydrophobicContact CG2-CH2 4.07Å; I160-W187 HydrophobicContact CG2-CZ2 4.12Å; I160-W187 HydrophobicContact CG2-CZ3 3.89Å; T163-W187 HydrophobicContact CG2-CH2 3.94Å; T163-W187 HydrophobicContact CG2-CZ2 4.01Å; C164-W187 HydrophobicContact CB-CZ2 4.33Å; P183-W187 WeakPolarHBondContact O-CB 3.39Å; P183-W187 PolarHBondContact O-N 3.28Å; W187-I191 WeakPolarHBondContact O-CB 3.41Å; W187-I191 WeakPolarHBondContact O-CG2 3.33Å; W187-I191 PolarHBondContact O-N 3.16Å; W187-M244 HydrophobicContact CB-CE 4.46Å; W187-W1689 HydrophobicContact CB-CH2 3.73Å; W187-W1689 HydrophobicContact CB-CZ2 3.86Å; W187-W1689 AromaticContact CD1-CH2 3.22Å; W187-W1689 AromaticContact CD1-CZ2 3.77Å; W187-W1689 AromaticContact CD1-CZ3 3.76Å; W187-W1689 HydrophobicContact CD2-CH2 4.12Å; W187-W1689 AromaticContact CG-CH2 3.41Å; W187-W1689 HydrophobicContact CG-CH2 3.41Å; W187-W1689 VanDerWaalsContact CG-CH2 3.41Å; W187-W1689 AromaticContact CG-CZ2 3.98Å; W187-W1689 HydrophobicContact CG-CZ2 3.98Å; W187-W1689 HydrophobicContact CG-CZ3 4.26Å; W187-W1689 AromaticContact NE1-CH2 3.8Å; W187-W1689 AromaticContact NE1-CZ3 3.9Å
188T93.6Very high85.3Confident0 Ų053.4 Ų53.40%027%0.273CS..Hα-helixtrans-56.9-55.6164.1-71.50000110F184 T185 I190 I191 T192 L250 D251 E254 F255F184-T188 WeakPolarHBondContact O-CB 3.26Å; F184-T188 PolarHBondContact O-N 3.01Å; F184-T188 PolarHBondContact O-OG1 3.27Å; T185-T188 PolarHBondContact O-N 3.09Å; T188-I190 VanDerWaalsContact C-N 3.31Å; T188-I190 PolarHBondContact O-N 3.15Å; T188-I191 WeakPolarHBondContact O-CG2 3.23Å; T188-I191 PolarHBondContact O-N 3Å; T188-T192 HydrophobicContact CG2-CG2 4.01Å; T188-T192 WeakPolarHBondContact O-CB 3.37Å; T188-T192 VanDerWaalsContact O-CG2 3.3Å; T188-T192 WeakPolarHBondContact O-CG2 3.23Å; T188-T192 PolarHBondContact O-N 3.38Å; T188-T192 PolarHBondContact O-OG1 2.96Å; T188-L250 WeakPolarHBondContact OG1-CB 3.4Å; T188-D251 PolarHBondContact OG1-N 3.03Å; T188-E254 HydrophobicContact CG2-CB 4.06Å; T188-E254 HydrophobicContact CG2-CG 3.8Å; T188-F255 HydrophobicContact CG2-CB 4.16Å
189Q93.1Very high87.1Confident102 Ų10244.4 Ų44.448%0.47723%0.234SC..Hα-helixtrans-61.4-36.2-177.1-71.1176.44.700113.2T185 E186 T192 K193 E254T185-Q189 HydrophobicContact CG2-CG 4.48Å; T185-Q189 WeakPolarHBondContact O-CB 3.33Å; T185-Q189 VanDerWaalsContact O-CG 3.32Å; T185-Q189 WeakPolarHBondContact O-CG 3.35Å; T185-Q189 PolarHBondContact O-N 2.88Å; E186-Q189 PolarHBondContact O-N 3.17Å; Q189-T192 PolarHBondContact O-OG1 3.04Å; Q189-K193 WeakPolarHBondContact O-CB 3.23Å; Q189-K193 PolarHBondContact O-N 3.29Å; Q189-K193 VanDerWaalsContact O-N 3.12Å; Q189-E254 VanDerWaalsContact CG-OE1 3.31Å; Q189-E254 WeakPolarHBondContact CG-OE1 3.43Å; Q189-E254 PolarHBondContact NE2-OE1 2.91Å
190I94Very high88.6Confident25 Ų2539.8 Ų39.813%0.12821%0.207CC..Hα-helixtrans-72.2-41178.3-60.3158.4000111.5K139 E140 F143 E186 T188 Y194K139-I190 HydrophobicContact CB-CD1 3.93Å; K139-I190 HydrophobicContact CB-CG2 4.3Å; K139-I190 HydrophobicContact CD-CD1 3.59Å; K139-I190 HydrophobicContact CG-CD1 4.39Å; E140-I190 HydrophobicContact CB-CG2 4.06Å; F143-I190 HydrophobicContact CE2-CG2 3.96Å; E186-I190 HydrophobicContact CG-CD1 3.86Å; E186-I190 WeakPolarHBondContact O-CD1 3.38Å; E186-I190 VanDerWaalsContact O-CG1 3.23Å; E186-I190 WeakPolarHBondContact O-CG1 3.47Å; E186-I190 PolarHBondContact O-N 3.24Å; T188-I190 VanDerWaalsContact C-N 3.31Å; T188-I190 PolarHBondContact O-N 3.15Å; I190-Y194 WeakPolarHBondContact O-CB 3.44Å; I190-Y194 PolarHBondContact O-N 2.97Å; I190-Y194 VanDerWaalsContact O-N 3.11Å
191I94.9Very high89.9Confident0 Ų038.3 Ų38.30%019%0.191CC..Hα-helixtrans-74.6-38.1179.6-157.7166000112.5F143 W187 T188 Y194 L195 A241 M244 L250F143-I191 HydrophobicContact CE1-CB 4.46Å; F143-I191 HydrophobicContact CE1-CD1 3.83Å; F143-I191 HydrophobicContact CE1-CG1 3.96Å; F143-I191 HydrophobicContact CE2-CB 4.07Å; F143-I191 HydrophobicContact CE2-CG1 4.07Å; F143-I191 HydrophobicContact CZ-CB 3.68Å; F143-I191 HydrophobicContact CZ-CD1 3.92Å; F143-I191 HydrophobicContact CZ-CG1 3.62Å; W187-I191 WeakPolarHBondContact O-CB 3.41Å; W187-I191 WeakPolarHBondContact O-CG2 3.33Å; W187-I191 PolarHBondContact O-N 3.16Å; T188-I191 WeakPolarHBondContact O-CG2 3.23Å; T188-I191 PolarHBondContact O-N 3Å; I191-Y194 PolarHBondContact O-N 3.31Å; I191-L195 HydrophobicContact CG1-CD1 4.28Å; I191-L195 WeakPolarHBondContact O-CB 3.46Å; I191-L195 WeakPolarHBondContact O-CG 3.33Å; I191-L195 PolarHBondContact O-N 3.36Å; I191-A241 HydrophobicContact CD1-CB 3.78Å; I191-A241 HydrophobicContact CG1-CB 4.44Å; I191-M244 HydrophobicContact CD1-SD 3.99Å; I191-L250 HydrophobicContact CG2-CD1 4.26Å; I191-L250 HydrophobicContact CG2-CD2 4.12Å
192T94Very high90.6Very high14 Ų1436 Ų369%0.08617%0.171CC..Hα-helixtrans-68.1-40.9177.257.90000111.7T188 Q189 L195 W196 F255 W258T188-T192 HydrophobicContact CG2-CG2 4.01Å; T188-T192 WeakPolarHBondContact O-CB 3.37Å; T188-T192 VanDerWaalsContact O-CG2 3.3Å; T188-T192 WeakPolarHBondContact O-CG2 3.23Å; T188-T192 PolarHBondContact O-N 3.38Å; T188-T192 PolarHBondContact O-OG1 2.96Å; Q189-T192 PolarHBondContact O-OG1 3.04Å; T192-L195 PolarHBondContact O-N 2.85Å; T192-W196 VanDerWaalsContact O-CB 3.28Å; T192-W196 WeakPolarHBondContact O-CB 3.25Å; T192-W196 PolarHBondContact O-N 2.97Å; T192-F255 HydrophobicContact CG2-CD2 3.75Å; T192-F255 HydrophobicContact CG2-CE2 4.18Å; T192-W258 VanDerWaalsContact CB-CG 3.49Å; T192-W258 HydrophobicContact CG2-CB 3.86Å; T192-W258 HydrophobicContact CG2-CD2 3.48Å; T192-W258 VanDerWaalsContact CG2-CD2 3.48Å; T192-W258 HydrophobicContact CG2-CE3 3.66Å; T192-W258 HydrophobicContact CG2-CG 3.56Å; T192-W258 HydrophobicContact CG2-CZ3 4.45Å; T192-W258 WeakPolarHBondContact O-CZ2 3.4Å; T192-W258 PolarHBondContact O-NE1 3.34Å
193K93.9Very high90.7Very high89 Ų8933 Ų3339%0.38716%0.156SC..Hα-helixtrans-57.9-48.6170.1176.8179.9174.2-680111.7E140 Q189 L195 W196 E197E140-K193 IonicContact OE1-NZ 3.26Å; E140-K193 IonicContact OE2-NZ 2.81Å; E140-K193 PolarHBondContact OE2-NZ 3.36Å; Q189-K193 WeakPolarHBondContact O-CB 3.23Å; Q189-K193 PolarHBondContact O-N 3.29Å; Q189-K193 VanDerWaalsContact O-N 3.12Å; K193-L195 PolarHBondContact O-N 3.19Å; K193-W196 PolarHBondContact O-N 3.15Å; K193-E197 VanDerWaalsContact CE-OE1 3.31Å; K193-E197 WeakPolarHBondContact CE-OE1 3.49Å; K193-E197 IonicContact NZ-OE1 2.73Å; K193-E197 PolarHBondContact NZ-OE1 2.99Å; K193-E197 WeakPolarHBondContact O-CG 3.23Å; K193-E197 PolarHBondContact O-N 3.05Å
194Y94.5Very high90.6Very high20 Ų2037.6 Ų37.68%0.07817%0.174CC..Hα-helixtrans-64.1-41.2-179.2-171.4-89.3000112.6E140 F143 G144 I190 I191 E197 Q198 Q233E140-Y194 HydrophobicContact CB-CD2 4.25Å; F143-Y194 HydrophobicContact CB-CD1 3.77Å; F143-Y194 HydrophobicContact CB-CD2 4.22Å; F143-Y194 HydrophobicContact CB-CE1 3.6Å; F143-Y194 HydrophobicContact CB-CE2 4.02Å; F143-Y194 HydrophobicContact CB-CG 4.09Å; F143-Y194 AromaticContact CD2-CD1 3.99Å; F143-Y194 HydrophobicContact CD2-CD1 3.99Å; F143-Y194 AromaticContact CD2-CD2 3.95Å; F143-Y194 HydrophobicContact CD2-CD2 3.95Å; F143-Y194 AromaticContact CD2-CG 3.62Å; F143-Y194 HydrophobicContact CD2-CG 3.62Å; F143-Y194 HydrophobicContact CE2-CG 4.47Å; F143-Y194 HydrophobicContact CG-CD1 4.19Å; F143-Y194 HydrophobicContact CG-CE1 4.5Å; F143-Y194 HydrophobicContact CG-CG 4.26Å; G144-Y194 WeakPolarHBondContact CA-OH 3.01Å; G144-Y194 PolarHBondContact N-OH 3.15Å; I190-Y194 WeakPolarHBondContact O-CB 3.44Å; I190-Y194 PolarHBondContact O-N 2.97Å; I190-Y194 VanDerWaalsContact O-N 3.11Å; I191-Y194 PolarHBondContact O-N 3.31Å; Y194-E197 PolarHBondContact O-N 3.41Å; Y194-Q198 HydrophobicContact CD1-CG 4.4Å; Y194-Q198 HydrophobicContact CE1-CG 4.11Å; Y194-Q198 VanDerWaalsContact CZ-NE2 3.31Å; Y194-Q198 WeakPolarHBondContact O-CG 3.37Å; Y194-Q198 PolarHBondContact O-N 3.35Å; Y194-Q233 PolarHBondContact OH-OE1 2.8Å
195L93.8Very high90.3Very high4 Ų440.3 Ų40.32%0.02118%0.184CC..Hα-helixtrans-65.1-42.1174.8-73.8170000111.4I191 T192 K193 E197 Q198 L199 W234 N237 A241 W258I191-L195 HydrophobicContact CG1-CD1 4.28Å; I191-L195 WeakPolarHBondContact O-CB 3.46Å; I191-L195 WeakPolarHBondContact O-CG 3.33Å; I191-L195 PolarHBondContact O-N 3.36Å; T192-L195 PolarHBondContact O-N 2.85Å; K193-L195 PolarHBondContact O-N 3.19Å; L195-E197 VanDerWaalsContact C-N 3.32Å; L195-E197 PolarHBondContact O-N 3.49Å; L195-Q198 PolarHBondContact O-N 2.86Å; L195-Q198 VanDerWaalsContact O-N 3.17Å; L195-L199 WeakPolarHBondContact O-CB 3.5Å; L195-L199 PolarHBondContact O-N 3.03Å; L195-W234 HydrophobicContact CB-CE3 4.17Å; L195-W234 HydrophobicContact CB-CZ3 3.87Å; L195-W234 HydrophobicContact CD2-CD2 4.32Å; L195-W234 HydrophobicContact CD2-CE3 3.76Å; L195-W234 HydrophobicContact CD2-CZ3 4.16Å; L195-W234 WeakPolarHBondContact O-CZ3 3.26Å; L195-N237 HydrophobicContact CD2-CB 3.81Å; L195-A241 HydrophobicContact CD1-CB 4.13Å; L195-W258 HydrophobicContact CB-CH2 3.53Å; L195-W258 HydrophobicContact CB-CZ2 3.65Å; L195-W258 HydrophobicContact CD1-CH2 3.78Å; L195-W258 HydrophobicContact CD1-CZ3 4.12Å; L195-W258 HydrophobicContact CG-CH2 4.29Å
196W91.8Very high89.6Confident68 Ų6842.3 Ų42.326%0.25819%0.188SC..Hα-helixtrans-60.2-39.9175-173.3-109.4000112.4T192 K193 Q198 L199 Q200 W258 C262 K265T192-W196 VanDerWaalsContact O-CB 3.28Å; T192-W196 WeakPolarHBondContact O-CB 3.25Å; T192-W196 PolarHBondContact O-N 2.97Å; K193-W196 PolarHBondContact O-N 3.15Å; W196-Q198 VanDerWaalsContact C-N 3.34Å; W196-Q198 PolarHBondContact O-N 3.48Å; W196-L199 HydrophobicContact CE3-CD2 3.95Å; W196-L199 HydrophobicContact CZ3-CD2 3.86Å; W196-L199 PolarHBondContact O-N 2.82Å; W196-Q200 WeakPolarHBondContact O-CG 3.5Å; W196-Q200 PolarHBondContact O-N 3.46Å; W196-W258 HydrophobicContact CB-CZ2 4.46Å; W196-C262 VanDerWaalsContact CE3-SG 3.51Å; W196-C262 HydrophobicContact CZ3-CB 4.11Å; W196-K265 HydrophobicContact CH2-CB 3.89Å; W196-K265 HydrophobicContact CH2-CD 3.5Å; W196-K265 HydrophobicContact CH2-CG 4.33Å; W196-K265 HydrophobicContact CZ2-CD 3.76Å; W196-K265 HydrophobicContact CZ3-CD 4.34Å
197E91.4Very high88.8Confident74 Ų7444.1 Ų44.135%0.34619%0.193SC..Hα-helixtrans-65.2-31.1174.8-76.2172.9-161.600113.7K193 Y194 L195 K201K193-E197 VanDerWaalsContact CE-OE1 3.31Å; K193-E197 WeakPolarHBondContact CE-OE1 3.49Å; K193-E197 IonicContact NZ-OE1 2.73Å; K193-E197 PolarHBondContact NZ-OE1 2.99Å; K193-E197 WeakPolarHBondContact O-CG 3.23Å; K193-E197 PolarHBondContact O-N 3.05Å; Y194-E197 PolarHBondContact O-N 3.41Å; L195-E197 VanDerWaalsContact C-N 3.32Å; L195-E197 PolarHBondContact O-N 3.49Å; E197-K201 WeakPolarHBondContact O-CE 3.31Å; E197-K201 WeakPolarHBondContact O-CG 3.47Å
198Q91.4Very high87.1Confident4 Ų449.2 Ų49.22%0.01923%0.226CC..Hα-helixtrans-77.2-37.1170.4-49.6-40.8-38.900111.5Y194 L195 W196 Q200 K201 M202 A230 Q233 W234Y194-Q198 HydrophobicContact CD1-CG 4.4Å; Y194-Q198 HydrophobicContact CE1-CG 4.11Å; Y194-Q198 VanDerWaalsContact CZ-NE2 3.31Å; Y194-Q198 WeakPolarHBondContact O-CG 3.37Å; Y194-Q198 PolarHBondContact O-N 3.35Å; L195-Q198 PolarHBondContact O-N 2.86Å; L195-Q198 VanDerWaalsContact O-N 3.17Å; W196-Q198 VanDerWaalsContact C-N 3.34Å; W196-Q198 PolarHBondContact O-N 3.48Å; Q198-Q200 PolarHBondContact O-N 3.06Å; Q198-K201 PolarHBondContact O-N 3.11Å; Q198-M202 PolarHBondContact O-N 3.3Å; Q198-A230 HydrophobicContact CB-CB 4.35Å; Q198-Q233 HydrophobicContact CG-CB 4.31Å; Q198-W234 HydrophobicContact CB-CB 4.44Å
199L89.4Confident85.3Confident4 Ų452.1 Ų52.12%0.02126%0.256CS..Hα-helixtrans-64.3-38.6179.9-178.454.6000112.5L195 W196 K201 M202 A203 W234 C262 L273 L277L195-L199 WeakPolarHBondContact O-CB 3.5Å; L195-L199 PolarHBondContact O-N 3.03Å; W196-L199 HydrophobicContact CE3-CD2 3.95Å; W196-L199 HydrophobicContact CZ3-CD2 3.86Å; W196-L199 PolarHBondContact O-N 2.82Å; L199-K201 VanDerWaalsContact C-N 3.33Å; L199-K201 PolarHBondContact O-N 3.09Å; L199-M202 WeakPolarHBondContact O-CB 3.31Å; L199-M202 PolarHBondContact O-N 2.61Å; L199-M202 VanDerWaalsContact O-N 3.15Å; L199-A203 WeakPolarHBondContact O-CB 3.48Å; L199-A203 PolarHBondContact O-N 3.14Å; L199-W234 HydrophobicContact CB-CE3 4.35Å; L199-W234 HydrophobicContact CB-CH2 4.47Å; L199-W234 HydrophobicContact CB-CZ3 3.85Å; L199-W234 HydrophobicContact CD2-CH2 4.23Å; L199-W234 HydrophobicContact CD2-CZ3 4.36Å; L199-C262 HydrophobicContact CD2-CB 4.23Å; L199-L273 HydrophobicContact CD1-CD1 4.04Å; L199-L277 HydrophobicContact CD1-CD1 4Å; L199-L277 HydrophobicContact CD1-CD2 3.93Å; L199-L277 HydrophobicContact CD1-CG 4.3Å; L199-L277 HydrophobicContact CD2-CD1 3.98Å; L199-L277 HydrophobicContact CD2-CD2 4.41Å
200Q88.6Confident83.1Confident63 Ų6353.6 Ų53.629%0.29428%0.275SS..Hα-helixtrans-60.1-42.1175.3-71.1-58.1-55.200112W196 Q198 M202 A203 E204W196-Q200 WeakPolarHBondContact O-CG 3.5Å; W196-Q200 PolarHBondContact O-N 3.46Å; Q198-Q200 PolarHBondContact O-N 3.06Å; Q200-M202 VanDerWaalsContact C-N 3.25Å; Q200-M202 PolarHBondContact O-N 2.62Å; Q200-A203 PolarHBondContact O-N 3.4Å; Q200-A203 VanDerWaalsContact O-N 3.14Å; Q200-E204 WeakPolarHBondContact O-CG 3.15Å; Q200-E204 PolarHBondContact O-N 2.8Å
201K88.6Confident80.4Confident84 Ų8457.8 Ų57.837%0.36531%0.313SS..Hα-helixtrans-62.6-30.3175.9-59.6169.6-166.9169.10113.2E197 Q198 L199 A230E197-K201 WeakPolarHBondContact O-CE 3.31Å; E197-K201 WeakPolarHBondContact O-CG 3.47Å; Q198-K201 PolarHBondContact O-N 3.11Å; L199-K201 VanDerWaalsContact C-N 3.33Å; L199-K201 PolarHBondContact O-N 3.09Å; K201-A230 HydrophobicContact CB-CB 4.1Å; K201-A230 HydrophobicContact CD-CB 4Å
202M86.2Confident77.6Confident3 Ų361.4 Ų61.42%0.01535%0.35CS..Hα-helixtrans-74.7-46.3171.8-58.8-179.2-160.200111.2Q198 L199 Q200 E204 Y205 Y206 I231 W234 L276Q198-M202 PolarHBondContact O-N 3.3Å; L199-M202 WeakPolarHBondContact O-CB 3.31Å; L199-M202 PolarHBondContact O-N 2.61Å; L199-M202 VanDerWaalsContact O-N 3.15Å; Q200-M202 VanDerWaalsContact C-N 3.25Å; Q200-M202 PolarHBondContact O-N 2.62Å; M202-E204 PolarHBondContact O-N 2.72Å; M202-Y205 WeakPolarHBondContact O-CB 3.43Å; M202-Y205 PolarHBondContact O-N 3.12Å; M202-Y206 VanDerWaalsContact O-CD2 3.22Å; M202-Y206 WeakPolarHBondContact O-CD2 3.45Å; M202-Y206 PolarHBondContact O-N 3.09Å; M202-Y206 VanDerWaalsContact O-N 3.11Å; M202-I231 HydrophobicContact CE-CB 4.33Å; M202-I231 HydrophobicContact CE-CG1 3.79Å; M202-I231 HydrophobicContact CG-CG1 4.13Å; M202-I231 HydrophobicContact SD-CG1 3.96Å; M202-W234 HydrophobicContact CE-CB 3.29Å; M202-W234 HydrophobicContact CE-CD2 4.04Å; M202-W234 HydrophobicContact CE-CG 3.52Å; M202-L276 HydrophobicContact SD-CD2 4.17Å
203A84.5Confident74.9Confident3 Ų366.5 Ų66.53%0.02539%0.387CS..Hα-helixtrans-60.1-34.8-179.800000112.2L199 Q200 Y205 Y206 R207 L273L199-A203 WeakPolarHBondContact O-CB 3.48Å; L199-A203 PolarHBondContact O-N 3.14Å; Q200-A203 PolarHBondContact O-N 3.4Å; Q200-A203 VanDerWaalsContact O-N 3.14Å; A203-Y205 VanDerWaalsContact C-N 3.3Å; A203-Y205 PolarHBondContact O-N 3.03Å; A203-Y206 PolarHBondContact O-N 3.19Å; A203-R207 WeakPolarHBondContact O-CB 3.46Å; A203-R207 PolarHBondContact O-N 3.46Å; A203-L273 HydrophobicContact CB-CD1 4.42Å; A203-L273 HydrophobicContact CB-CD2 3.59Å
204E83.4Confident72.2Confident131 Ų13166.2 Ų66.261%0.61241%0.408SS*.Hα-helixtrans-62.2-32.3172.1-75.3169.517800113.3Q200 M202Q200-E204 WeakPolarHBondContact O-CG 3.15Å; Q200-E204 PolarHBondContact O-N 2.8Å; M202-E204 PolarHBondContact O-N 2.72Å
205Y80Confident69.5Low69 Ų6972.2 Ų72.227%0.27145%0.447SS..Hα-helixtrans-78.4-34.2175.4179.7-98.7000113M202 A203 I220 G221 L223 P224 V227M202-Y205 WeakPolarHBondContact O-CB 3.43Å; M202-Y205 PolarHBondContact O-N 3.12Å; A203-Y205 VanDerWaalsContact C-N 3.3Å; A203-Y205 PolarHBondContact O-N 3.03Å; Y205-I220 VanDerWaalsContact OH-CG2 3.24Å; Y205-I220 WeakPolarHBondContact OH-CG2 3.42Å; Y205-G221 PolarHBondContact OH-O 2.9Å; Y205-G221 VanDerWaalsContact OH-O 3.09Å; Y205-L223 HydrophobicContact CD1-CD1 4.46Å; Y205-L223 HydrophobicContact CE1-CD1 3.66Å; Y205-L223 HydrophobicContact CE1-CG 4.46Å; Y205-L223 HydrophobicContact CE2-CD1 4.43Å; Y205-P224 HydrophobicContact CD2-CG 4.1Å; Y205-P224 VanDerWaalsContact CE2-CD 3.48Å; Y205-P224 HydrophobicContact CE2-CG 4.16Å; Y205-V227 HydrophobicContact CG-CG1 4.28Å
206Y72.7Confident66.6Low79 Ų7978.2 Ų78.231%0.3149%0.488SS..Hα-helixtrans-85.8-10.5179.9-71.4-71000114.5M202 A203 E272 L273 L276M202-Y206 VanDerWaalsContact O-CD2 3.22Å; M202-Y206 WeakPolarHBondContact O-CD2 3.45Å; M202-Y206 PolarHBondContact O-N 3.09Å; M202-Y206 VanDerWaalsContact O-N 3.11Å; A203-Y206 PolarHBondContact O-N 3.19Å; Y206-E272 HydrophobicContact CD1-CB 4.26Å; Y206-L273 HydrophobicContact CD2-CD1 4.23Å; Y206-L276 HydrophobicContact CD2-CD2 4.47Å; Y206-L276 HydrophobicContact CE2-CD2 3.69Å
207R72.8Confident63.7Low90 Ų9078.6 Ų78.634%0.3451%0.513SS..SBendtrans-80.2124.4177.7-175.7171.9-64.7128.88.4110.6A203 G209 E270A203-R207 WeakPolarHBondContact O-CB 3.46Å; A203-R207 PolarHBondContact O-N 3.46Å; R207-G209 PolarHBondContact O-N 3.47Å; R207-E270 IonicContact CZ-OE1 2.72Å; R207-E270 VanDerWaalsContact CZ-OE1 3.25Å; R207-E270 IonicContact NE-OE1 2.62Å; R207-E270 PolarHBondContact NE-OE1 2.82Å; R207-E270 IonicContact NH2-OE1 3.68Å; R207-E270 PolarHBondContact NH2-OE1 3.45Å
208P55.8Low61.1Low108 Ų10881.6 Ų81.670%0.70154%0.542SS*.PPolyproline II helixtrans-61.9133.3173.625.7-33.3000110.4
209G57.2Low58.6Low61 Ų6186 Ų8663%0.62958%0.579SS**PPolyproline II helixtrans-65.3159.7177.100000112.6R207 A211R207-G209 PolarHBondContact O-N 3.47Å; G209-A211 PolarHBondContact O-N 2.92Å
210P46.9Very low57Low133 Ų13393 Ų9386%0.86462%0.615SS**PPolyproline II helixtrans-58.7132.5177.825.7-34000110.7G212P210-G212 PolarHBondContact O-N 3.17Å
211A37.7Very low55.7Low113 Ų11391.8 Ų91.893%0.93462%0.619SS**SBendtrans-60.3126.2-168.500000112.8G209G209-A211 PolarHBondContact O-N 2.92Å
212G35.3Very low54.7Low76 Ų7694 Ų9478%0.78464%0.642SS**  trans-157.2-5.8-173.900000117.8P210P210-G212 PolarHBondContact O-N 3.17Å
213S37.9Very low54.1Low121 Ų12196.9 Ų96.985%0.84666%0.658SS**  trans-164.9125.1170.558.30000111
214G35.9Very low54.1Low82 Ų8299.6 Ų99.685%0.84568%0.675SS**  trans-100.6118.1-179.200000113.7
215V38.5Very low54.1Low146 Ų14699.1 Ų99.189%0.88567%0.672SS**  trans-142.9136.4152.5-177.90000107.3
216C31.6Very low54.3Low131 Ų131101.5 Ų101.589%0.88569%0.69SS**  trans-77.4147.9178.4-55.40000111.9
217G32.7Very low54.9Low76 Ų7698.4 Ų98.478%0.78468%0.679SS**  trans139.9131.9160.200000115.6A219G217-A219 PolarHBondContact O-N 3.3Å
218S35.5Very low55.6Low137 Ų13797.1 Ų97.196%0.95868%0.677SS**  trans-64.7110.4-177.8-52.20000113.7
219A38.7Very low57.2Low95 Ų9595.8 Ų95.879%0.78566%0.662SS**  trans-146.496161.200000110.5G217 G221G217-A219 PolarHBondContact O-N 3.3Å; A219-G221 PolarHBondContact O-N 2.95Å; A219-G221 VanDerWaalsContact O-N 3.09Å
220I56.2Low58.8Low151 Ų15193 Ų9377%0.77463%0.633SS**  trans-69106.1166.5-61.8179.2000106.8Y205Y205-I220 VanDerWaalsContact OH-CG2 3.24Å; Y205-I220 WeakPolarHBondContact OH-CG2 3.42Å
221G60.7Low60.8Low38 Ų3888.7 Ų88.739%0.39260%0.602SS.*PPolyproline II helixtrans-62.5157.1177.500000112.1Y205 A219 L223Y205-G221 PolarHBondContact OH-O 2.9Å; Y205-G221 VanDerWaalsContact OH-O 3.09Å; A219-G221 PolarHBondContact O-N 2.95Å; A219-G221 VanDerWaalsContact O-N 3.09Å; G221-L223 PolarHBondContact O-N 3.47Å
222P68.1Low63.3Low131 Ų13191.2 Ų91.285%0.85159%0.588SS**PPolyproline II helixtrans-53.8133.6179.724.3-34.3000110.7
223L74.4Confident66.1Low64 Ų6489.1 Ų89.134%0.33556%0.557SS.*PPolyproline II helixtrans-58.2131.8-173.1-125.578.9000110.9Y205 G221 H225 V227 E228 I231Y205-L223 HydrophobicContact CD1-CD1 4.46Å; Y205-L223 HydrophobicContact CE1-CD1 3.66Å; Y205-L223 HydrophobicContact CE1-CG 4.46Å; Y205-L223 HydrophobicContact CE2-CD1 4.43Å; G221-L223 PolarHBondContact O-N 3.47Å; L223-H225 PolarHBondContact O-N 2.94Å; L223-V227 HydrophobicContact CD2-CB 4.29Å; L223-V227 HydrophobicContact CD2-CG1 3.83Å; L223-V227 HydrophobicContact CG-CB 4.43Å; L223-V227 HydrophobicContact CG-CG1 4.17Å; L223-E228 HydrophobicContact CD2-CB 4.43Å; L223-I231 HydrophobicContact CD2-CD1 3.61Å
224P83.7Confident68.7Low60 Ų6084.5 Ų84.539%0.3952%0.521SS..PPolyproline II helixtrans-57139.2171.6-23.132.8000110.3Y205 D226 V227 E228Y205-P224 HydrophobicContact CD2-CG 4.1Å; Y205-P224 VanDerWaalsContact CE2-CD 3.48Å; Y205-P224 HydrophobicContact CE2-CG 4.16Å; P224-D226 PolarHBondContact O-N 2.92Å; P224-D226 VanDerWaalsContact O-N 3.17Å; P224-V227 HydrophobicContact CB-CB 4.47Å; P224-V227 HydrophobicContact CB-CG2 4.03Å; P224-V227 HydrophobicContact CG-CG2 4.15Å; P224-V227 WeakPolarHBondContact O-CA 3.38Å; P224-V227 WeakPolarHBondContact O-CB 3.48Å; P224-V227 PolarHBondContact O-N 3.32Å; P224-E228 PolarHBondContact O-N 3.28Å
225H83.1Confident71.3Confident120 Ų12084.2 Ų84.256%0.55650%0.501SS*.Hα-helixtrans-59-34.9-172.3-171.353.5000112.8L223 V227 E228 M229L223-H225 PolarHBondContact O-N 2.94Å; H225-V227 VanDerWaalsContact C-N 3.33Å; H225-V227 PolarHBondContact O-N 3.06Å; H225-E228 IonicContact ND1-OE2 3.84Å; H225-E228 PolarHBondContact O-N 3.3Å; H225-M229 WeakPolarHBondContact O-CB 3.27Å; H225-M229 WeakPolarHBondContact O-CG 3.33Å; H225-M229 PolarHBondContact O-N 3.31Å
226D84.1Confident74Confident120 Ų12078.6 Ų78.664%0.64246%0.464SS*.Hα-helixtrans-65.1-34175.3-59.1-64.7000113.1P224 A230P224-D226 PolarHBondContact O-N 2.92Å; P224-D226 VanDerWaalsContact O-N 3.17Å; D226-A230 WeakPolarHBondContact O-CB 3.4Å; D226-A230 PolarHBondContact O-N 2.77Å
227V86.1Confident77.1Confident14 Ų1472.4 Ų72.49%0.08542%0.422CS..Hα-helixtrans-74-40.7174.7-176.70000110.1Y205 L223 P224 H225 M229 A230 I231Y205-V227 HydrophobicContact CG-CG1 4.28Å; L223-V227 HydrophobicContact CD2-CB 4.29Å; L223-V227 HydrophobicContact CD2-CG1 3.83Å; L223-V227 HydrophobicContact CG-CB 4.43Å; L223-V227 HydrophobicContact CG-CG1 4.17Å; P224-V227 HydrophobicContact CB-CB 4.47Å; P224-V227 HydrophobicContact CB-CG2 4.03Å; P224-V227 HydrophobicContact CG-CG2 4.15Å; P224-V227 WeakPolarHBondContact O-CA 3.38Å; P224-V227 WeakPolarHBondContact O-CB 3.48Å; P224-V227 PolarHBondContact O-N 3.32Å; H225-V227 VanDerWaalsContact C-N 3.33Å; H225-V227 PolarHBondContact O-N 3.06Å; V227-M229 VanDerWaalsContact C-N 3.33Å; V227-M229 PolarHBondContact O-N 2.79Å; V227-A230 WeakPolarHBondContact O-CB 3.32Å; V227-A230 PolarHBondContact O-N 3.16Å; V227-I231 HydrophobicContact CG1-CD1 4.37Å; V227-I231 WeakPolarHBondContact O-CG1 3.21Å; V227-I231 PolarHBondContact O-N 3.2Å
228E88.3Confident80Confident62 Ų6269.6 Ų69.629%0.2939%0.388SS..Hα-helixtrans-61.8-42.1174-158.4-147.2160.100111.5L223 P224 H225 I231 R232L223-E228 HydrophobicContact CD2-CB 4.43Å; P224-E228 PolarHBondContact O-N 3.28Å; H225-E228 IonicContact ND1-OE2 3.84Å; H225-E228 PolarHBondContact O-N 3.3Å; E228-I231 PolarHBondContact O-N 2.97Å; E228-R232 WeakPolarHBondContact O-CG 3.37Å; E228-R232 PolarHBondContact O-N 2.86Å; E228-R232 IonicContact OE1-CZ 2.65Å; E228-R232 IonicContact OE1-NE 2.7Å; E228-R232 PolarHBondContact OE1-NE 3.3Å; E228-R232 IonicContact OE1-NH2 3.42Å; E228-R232 PolarHBondContact OE1-NH2 2.95Å
229M88.3Confident82.7Confident81 Ų8167.9 Ų67.940%0.39936%0.364SS..Hα-helixtrans-65.1-39.8172.8-75.7-17066.500112.2H225 V227 R232 Q233H225-M229 WeakPolarHBondContact O-CB 3.27Å; H225-M229 WeakPolarHBondContact O-CG 3.33Å; H225-M229 PolarHBondContact O-N 3.31Å; V227-M229 VanDerWaalsContact C-N 3.33Å; V227-M229 PolarHBondContact O-N 2.79Å; M229-R232 PolarHBondContact O-N 2.97Å; M229-Q233 WeakPolarHBondContact O-CB 3.43Å; M229-Q233 VanDerWaalsContact O-CG 3.23Å; M229-Q233 WeakPolarHBondContact O-CG 3.41Å; M229-Q233 PolarHBondContact O-N 2.92Å
230A90.4Very high85.4Confident1 Ų163.3 Ų63.31%0.00833%0.326CS..Hα-helixtrans-62.6-43.2175.200000111.7Q198 K201 D226 V227 Q233 W234Q198-A230 HydrophobicContact CB-CB 4.35Å; K201-A230 HydrophobicContact CB-CB 4.1Å; K201-A230 HydrophobicContact CD-CB 4Å; D226-A230 WeakPolarHBondContact O-CB 3.4Å; D226-A230 PolarHBondContact O-N 2.77Å; V227-A230 WeakPolarHBondContact O-CB 3.32Å; V227-A230 PolarHBondContact O-N 3.16Å; A230-Q233 PolarHBondContact O-N 3.44Å; A230-W234 WeakPolarHBondContact O-CB 3.44Å; A230-W234 PolarHBondContact O-N 3.5Å
231I89.6Confident87.2Confident44 Ų4456.2 Ų56.223%0.22629%0.29CS..Hα-helixtrans-63.5-49.1175.1-68.3174.9000110.9M202 L223 V227 E228 Q233 W234 D235M202-I231 HydrophobicContact CE-CB 4.33Å; M202-I231 HydrophobicContact CE-CG1 3.79Å; M202-I231 HydrophobicContact CG-CG1 4.13Å; M202-I231 HydrophobicContact SD-CG1 3.96Å; L223-I231 HydrophobicContact CD2-CD1 3.61Å; V227-I231 HydrophobicContact CG1-CD1 4.37Å; V227-I231 WeakPolarHBondContact O-CG1 3.21Å; V227-I231 PolarHBondContact O-N 3.2Å; E228-I231 PolarHBondContact O-N 2.97Å; I231-Q233 PolarHBondContact O-N 3.16Å; I231-W234 PolarHBondContact O-N 3.12Å; I231-D235 WeakPolarHBondContact O-CB 3.49Å; I231-D235 PolarHBondContact O-N 2.94Å
232R90.6Very high88.7Confident165 Ų16555.6 Ų55.662%0.62328%0.277SS*.Hα-helixtrans-59-35.2176.3-70.6172.6180-131.711.2112.6E228 M229 Y236E228-R232 WeakPolarHBondContact O-CG 3.37Å; E228-R232 PolarHBondContact O-N 2.86Å; E228-R232 IonicContact OE1-CZ 2.65Å; E228-R232 IonicContact OE1-NE 2.7Å; E228-R232 PolarHBondContact OE1-NE 3.3Å; E228-R232 IonicContact OE1-NH2 3.42Å; E228-R232 PolarHBondContact OE1-NH2 2.95Å; M229-R232 PolarHBondContact O-N 2.97Å; R232-Y236 PolarHBondContact O-N 3.38Å
233Q93Very high89.8Confident32 Ų3251.8 Ų51.815%0.1525%0.247CC..Hα-helixtrans-73.7-40.2175.9-73.8176.229.300112.6A147 Y194 Q198 M229 A230 I231 N237A147-Q233 HydrophobicContact CB-CG 4.12Å; Y194-Q233 PolarHBondContact OH-OE1 2.8Å; Q198-Q233 HydrophobicContact CG-CB 4.31Å; M229-Q233 WeakPolarHBondContact O-CB 3.43Å; M229-Q233 VanDerWaalsContact O-CG 3.23Å; M229-Q233 WeakPolarHBondContact O-CG 3.41Å; M229-Q233 PolarHBondContact O-N 2.92Å; A230-Q233 PolarHBondContact O-N 3.44Å; I231-Q233 PolarHBondContact O-N 3.16Å; Q233-N237 WeakPolarHBondContact O-CB 3.33Å; Q233-N237 PolarHBondContact O-N 2.75Å; Q233-N237 PolarHBondContact O-ND2 3.39Å
234W92.8Very high90.7Very high24 Ų2448.7 Ų48.79%0.09123%0.231CC..Hα-helixtrans-63.8-51.3174.2171.5-88.1000111.5L195 Q198 L199 M202 A230 I231 Y236 N237 E238 W258 L277 L280L195-W234 HydrophobicContact CB-CE3 4.17Å; L195-W234 HydrophobicContact CB-CZ3 3.87Å; L195-W234 HydrophobicContact CD2-CD2 4.32Å; L195-W234 HydrophobicContact CD2-CE3 3.76Å; L195-W234 HydrophobicContact CD2-CZ3 4.16Å; L195-W234 WeakPolarHBondContact O-CZ3 3.26Å; Q198-W234 HydrophobicContact CB-CB 4.44Å; L199-W234 HydrophobicContact CB-CE3 4.35Å; L199-W234 HydrophobicContact CB-CH2 4.47Å; L199-W234 HydrophobicContact CB-CZ3 3.85Å; L199-W234 HydrophobicContact CD2-CH2 4.23Å; L199-W234 HydrophobicContact CD2-CZ3 4.36Å; M202-W234 HydrophobicContact CE-CB 3.29Å; M202-W234 HydrophobicContact CE-CD2 4.04Å; M202-W234 HydrophobicContact CE-CG 3.52Å; A230-W234 WeakPolarHBondContact O-CB 3.44Å; A230-W234 PolarHBondContact O-N 3.5Å; I231-W234 PolarHBondContact O-N 3.12Å; W234-Y236 PolarHBondContact O-N 3.29Å; W234-Y236 VanDerWaalsContact O-N 3.11Å; W234-N237 PolarHBondContact O-N 3.43Å; W234-E238 WeakPolarHBondContact O-CB 3.32Å; W234-E238 PolarHBondContact O-N 2.74Å; W234-W258 HydrophobicContact CH2-CH2 4.33Å; W234-W258 HydrophobicContact CZ3-CH2 4.35Å; W234-L277 HydrophobicContact CH2-CD2 3.88Å; W234-L277 HydrophobicContact CZ2-CD2 3.48Å; W234-L277 VanDerWaalsContact CZ2-CD2 3.48Å; W234-L280 HydrophobicContact CH2-CD2 4.35Å; W234-L280 HydrophobicContact CZ2-CD2 4.19Å
235D91.7Very high91.1Very high77 Ų7745.9 Ų45.941%0.41221%0.213SC..Hα-helixtrans-56.3-32.1178.8-860.9000112.9I231 K239I231-D235 WeakPolarHBondContact O-CB 3.49Å; I231-D235 PolarHBondContact O-N 2.94Å; D235-K239 WeakPolarHBondContact O-CD 3.41Å; D235-K239 VanDerWaalsContact O-CG 3.29Å; D235-K239 WeakPolarHBondContact O-CG 3.46Å; D235-K239 PolarHBondContact O-NZ 2.89Å
236Y95.4Very high91.4Very high28 Ų2846 Ų4611%0.1121%0.214CC..Hα-helixtrans-78.9-48.4174179.7-87.3000112L146 A147 V151 A156 R232 W234 K239 L240L146-Y236 HydrophobicContact CB-CE1 3.59Å; A147-Y236 HydrophobicContact CB-CD1 3.64Å; A147-Y236 HydrophobicContact CB-CE1 4.45Å; A147-Y236 HydrophobicContact CB-CG 3.73Å; V151-Y236 VanDerWaalsContact O-CE2 3.23Å; V151-Y236 WeakPolarHBondContact O-CE2 3.32Å; V151-Y236 PolarHBondContact O-OH 2.89Å; A156-Y236 WeakPolarHBondContact CB-OH 3.32Å; R232-Y236 PolarHBondContact O-N 3.38Å; W234-Y236 PolarHBondContact O-N 3.29Å; W234-Y236 VanDerWaalsContact O-N 3.11Å; Y236-K239 PolarHBondContact O-N 3.15Å; Y236-L240 HydrophobicContact CE1-CB 4.45Å; Y236-L240 HydrophobicContact CE1-CD2 4.06Å; Y236-L240 PolarHBondContact O-N 3.31Å
237N95.3Very high91.4Very high0 Ų041.4 Ų41.40%019%0.189CC..Hα-helixtrans-77.9-20.2-173-71.2-70.3000113.5F143 L195 Q233 W234 A241F143-N237 WeakPolarHBondContact CB-OD1 3.33Å; F143-N237 VanDerWaalsContact CD1-OD1 3.32Å; F143-N237 WeakPolarHBondContact CD1-OD1 3.27Å; F143-N237 PolarHBondContact O-ND2 2.95Å; L195-N237 HydrophobicContact CD2-CB 3.81Å; Q233-N237 WeakPolarHBondContact O-CB 3.33Å; Q233-N237 PolarHBondContact O-N 2.75Å; Q233-N237 PolarHBondContact O-ND2 3.39Å; W234-N237 PolarHBondContact O-N 3.43Å; N237-A241 VanDerWaalsContact O-CB 3.23Å; N237-A241 WeakPolarHBondContact O-CB 3.26Å; N237-A241 PolarHBondContact O-N 2.96Å
238E93.3Very high91.4Very high18 Ų1840.8 Ų40.88%0.08419%0.186CC..Hα-helixtrans-63-48.6165.6-176.6-80.4151.300110.5W234 L240 A241 L242 L280 R283W234-E238 WeakPolarHBondContact O-CB 3.32Å; W234-E238 PolarHBondContact O-N 2.74Å; E238-L240 VanDerWaalsContact C-N 3.28Å; E238-L240 PolarHBondContact O-N 2.88Å; E238-A241 PolarHBondContact O-N 2.8Å; E238-L242 WeakPolarHBondContact O-CB 3.02Å; E238-L242 PolarHBondContact O-N 2.91Å; E238-L280 HydrophobicContact CG-CD1 3.66Å; E238-R283 WeakPolarHBondContact OE1-CD 3.5Å; E238-R283 IonicContact OE1-CZ 2.65Å; E238-R283 IonicContact OE1-NE 3.25Å; E238-R283 IonicContact OE1-NH1 3Å; E238-R283 PolarHBondContact OE1-NH1 2.94Å; E238-R283 IonicContact OE2-NH1 3.27Å; E238-R283 PolarHBondContact OE2-NH1 3.41Å
239K93Very high91.5Very high100 Ų10037.8 Ų37.844%0.43517%0.172SC..Hα-helixtrans-65-34.3178.3-62.7177.3-174.786.70111.5D235 Y236 F243D235-K239 WeakPolarHBondContact O-CD 3.41Å; D235-K239 VanDerWaalsContact O-CG 3.29Å; D235-K239 WeakPolarHBondContact O-CG 3.46Å; D235-K239 PolarHBondContact O-NZ 2.89Å; Y236-K239 PolarHBondContact O-N 3.15Å; K239-F243 WeakPolarHBondContact O-CB 3.48Å; K239-F243 PolarHBondContact O-N 3.14Å; K239-F243 VanDerWaalsContact O-N 3.09Å
240L94.7Very high91.7Very high0 Ų034.1 Ų34.10%015%0.154CC..Hα-helixtrans-70.2-44.4172.5-177.756.2000112.1F143 L146 V153 A156 I160 Y236 E238 F243 M244F143-L240 HydrophobicContact CD1-CD2 4.07Å; F143-L240 HydrophobicContact CE1-CD2 4.18Å; L146-L240 HydrophobicContact CD1-CD2 4.01Å; V153-L240 HydrophobicContact CB-CD1 4.31Å; V153-L240 HydrophobicContact CG1-CB 4.47Å; A156-L240 HydrophobicContact CB-CD1 3.72Å; A156-L240 HydrophobicContact CB-CD2 4.19Å; I160-L240 HydrophobicContact CD1-CD2 4.01Å; Y236-L240 HydrophobicContact CE1-CB 4.45Å; Y236-L240 HydrophobicContact CE1-CD2 4.06Å; Y236-L240 PolarHBondContact O-N 3.31Å; E238-L240 VanDerWaalsContact C-N 3.28Å; E238-L240 PolarHBondContact O-N 2.88Å; L240-F243 PolarHBondContact O-N 2.82Å; L240-M244 HydrophobicContact CD1-CG 4.26Å; L240-M244 HydrophobicContact CD1-SD 4.16Å; L240-M244 HydrophobicContact CG-SD 4Å; L240-M244 WeakPolarHBondContact O-CB 3.48Å; L240-M244 VanDerWaalsContact O-CG 3.31Å; L240-M244 WeakPolarHBondContact O-CG 3.3Å; L240-M244 PolarHBondContact O-N 3.41Å
241A94.1Very high91.7Very high1 Ų135 Ų351%0.00816%0.158CC..Hα-helixtrans-62-43.8176.200000111.4I191 L195 N237 E238 F243 M244 F245 F255I191-A241 HydrophobicContact CD1-CB 3.78Å; I191-A241 HydrophobicContact CG1-CB 4.44Å; L195-A241 HydrophobicContact CD1-CB 4.13Å; N237-A241 VanDerWaalsContact O-CB 3.23Å; N237-A241 WeakPolarHBondContact O-CB 3.26Å; N237-A241 PolarHBondContact O-N 2.96Å; E238-A241 PolarHBondContact O-N 2.8Å; A241-F243 PolarHBondContact O-N 2.75Å; A241-M244 PolarHBondContact O-N 2.92Å; A241-F245 VanDerWaalsContact O-CB 3.24Å; A241-F245 WeakPolarHBondContact O-CB 3.44Å; A241-F245 PolarHBondContact O-N 3.2Å; A241-F255 HydrophobicContact CB-CE2 4.03Å; A241-F255 HydrophobicContact CB-CZ 4.02Å
242L92.9Very high91.8Very high25 Ų2533.8 Ų33.813%0.13115%0.151CC..Hα-helixtrans-58.3-45.7173179.565.6000111.7E238 F245 Q246 R283 Y284E238-L242 WeakPolarHBondContact O-CB 3.02Å; E238-L242 PolarHBondContact O-N 2.91Å; L242-F245 PolarHBondContact O-N 3.16Å; L242-Q246 HydrophobicContact CD1-CG 4.39Å; L242-Q246 WeakPolarHBondContact O-CB 3.31Å; L242-Q246 VanDerWaalsContact O-CG 3.29Å; L242-Q246 WeakPolarHBondContact O-CG 3.32Å; L242-Q246 PolarHBondContact O-N 2.67Å; L242-R283 HydrophobicContact CD1-CG 4.31Å; L242-Y284 WeakPolarHBondContact CA-OH 3.41Å; L242-Y284 HydrophobicContact CD1-CE1 3.83Å; L242-Y284 WeakPolarHBondContact CD1-OH 3.2Å
243F91.4Very high91.8Very high51 Ų5127.2 Ų27.222%0.22413%0.127CC..Hα-helixtrans-62.8-44.2176.1-178.5-91000111.9V153 M154 A157 K239 L240 A241 F245 Q246 D247V153-F243 HydrophobicContact CB-CB 4.12Å; V153-F243 HydrophobicContact CB-CG 4.13Å; V153-F243 HydrophobicContact CG2-CB 4.03Å; V153-F243 HydrophobicContact CG2-CD2 3.8Å; V153-F243 HydrophobicContact CG2-CE2 4.49Å; V153-F243 HydrophobicContact CG2-CG 3.84Å; M154-F243 HydrophobicContact CB-CZ 4.29Å; M154-F243 HydrophobicContact CG-CE2 3.75Å; M154-F243 HydrophobicContact CG-CZ 3.7Å; A157-F243 HydrophobicContact CB-CD1 3.84Å; A157-F243 HydrophobicContact CB-CE1 3.59Å; K239-F243 WeakPolarHBondContact O-CB 3.48Å; K239-F243 PolarHBondContact O-N 3.14Å; K239-F243 VanDerWaalsContact O-N 3.09Å; L240-F243 PolarHBondContact O-N 2.82Å; A241-F243 PolarHBondContact O-N 2.75Å; F243-F245 VanDerWaalsContact C-N 3.33Å; F243-F245 PolarHBondContact O-N 2.97Å; F243-Q246 PolarHBondContact O-N 3.32Å; F243-D247 HydrophobicContact CE1-CB 4.34Å; F243-D247 WeakPolarHBondContact O-CB 3.33Å; F243-D247 PolarHBondContact O-N 3.05Å
244M92.9Very high91.7Very high0 Ų028.3 Ų28.30%013%0.132CC..Hα-helixtrans-66.7-33.3177.2-69.817467.600112.4I160 W187 I191 L240 A241 G248 M249 L250 W1689I160-M244 HydrophobicContact CD1-CE 4.16Å; I160-M244 HydrophobicContact CD1-SD 3.71Å; I160-M244 HydrophobicContact CG2-CE 3.92Å; W187-M244 HydrophobicContact CB-CE 4.46Å; I191-M244 HydrophobicContact CD1-SD 3.99Å; L240-M244 HydrophobicContact CD1-CG 4.26Å; L240-M244 HydrophobicContact CD1-SD 4.16Å; L240-M244 HydrophobicContact CG-SD 4Å; L240-M244 WeakPolarHBondContact O-CB 3.48Å; L240-M244 VanDerWaalsContact O-CG 3.31Å; L240-M244 WeakPolarHBondContact O-CG 3.3Å; L240-M244 PolarHBondContact O-N 3.41Å; A241-M244 PolarHBondContact O-N 2.92Å; M244-G248 PolarHBondContact O-N 3.43Å; M244-M249 HydrophobicContact CB-CB 4.16Å; M244-M249 HydrophobicContact CB-SD 4.4Å; M244-M249 HydrophobicContact CE-CE 4.01Å; M244-M249 HydrophobicContact CG-CE 4.46Å; M244-M249 HydrophobicContact CG-SD 3.98Å; M244-M249 WeakPolarHBondContact O-CB 3.5Å; M244-M249 PolarHBondContact O-N 3.06Å; M244-L250 HydrophobicContact CB-CD1 4.19Å; M244-L250 HydrophobicContact CB-CD2 4.16Å; M244-L250 HydrophobicContact CB-CG 3.83Å; M244-L250 HydrophobicContact CE-CD2 3.79Å; M244-L250 PolarHBondContact O-N 2.98Å; M244-W1689 HydrophobicContact CE-CH2 4.42Å
245F92Very high91.8Very high1 Ų127.3 Ų27.30%0.00413%0.128CC..Hα-helixtrans-68.5-38.3173.5-176.4-90000111.8A241 L242 F243 G248 L250 R252 F255 L256 Y284 E287A241-F245 VanDerWaalsContact O-CB 3.24Å; A241-F245 WeakPolarHBondContact O-CB 3.44Å; A241-F245 PolarHBondContact O-N 3.2Å; L242-F245 PolarHBondContact O-N 3.16Å; F243-F245 VanDerWaalsContact C-N 3.33Å; F243-F245 PolarHBondContact O-N 2.97Å; F245-G248 PolarHBondContact O-N 3.21Å; F245-L250 HydrophobicContact CB-CD1 4.27Å; F245-R252 HydrophobicContact CD2-CB 4.38Å; F245-R252 HydrophobicContact CD2-CG 3.97Å; F245-R252 VanDerWaalsContact CE1-CZ 3.47Å; F245-R252 VanDerWaalsContact CE1-NH1 3.34Å; F245-R252 HydrophobicContact CE2-CB 3.7Å; F245-R252 HydrophobicContact CE2-CG 3.69Å; F245-R252 HydrophobicContact CZ-CB 4.16Å; F245-R252 HydrophobicContact CZ-CG 4.08Å; F245-R252 PolarHBondContact O-NH1 3.06Å; F245-F255 HydrophobicContact CD2-CB 4.36Å; F245-F255 AromaticContact CD2-CD1 3.52Å; F245-F255 HydrophobicContact CD2-CD1 3.52Å; F245-F255 HydrophobicContact CD2-CE1 4.12Å; F245-F255 HydrophobicContact CD2-CG 4.14Å; F245-F255 AromaticContact CE2-CD1 3.8Å; F245-F255 HydrophobicContact CE2-CD1 3.8Å; F245-F255 HydrophobicContact CG-CD1 4.44Å; F245-L256 HydrophobicContact CE2-CD1 4.49Å; F245-L256 HydrophobicContact CE2-CD2 4.3Å; F245-L256 HydrophobicContact CE2-CG 4.04Å; F245-L256 HydrophobicContact CZ-CD1 4.22Å; F245-L256 HydrophobicContact CZ-CD2 4.17Å; F245-L256 HydrophobicContact CZ-CG 4.14Å; F245-Y284 HydrophobicContact CD1-CD1 4.37Å; F245-Y284 AromaticContact CD1-CE1 3.83Å; F245-Y284 HydrophobicContact CD1-CE1 3.83Å; F245-Y284 HydrophobicContact CE1-CD1 4.02Å; F245-Y284 AromaticContact CE1-CE1 3.95Å; F245-Y284 HydrophobicContact CE1-CE1 3.95Å; F245-Y284 HydrophobicContact CG-CE1 4.13Å; F245-Y284 HydrophobicContact CZ-CD1 4.22Å; F245-Y284 HydrophobicContact CZ-CE1 4.36Å; F245-E287 HydrophobicContact CE1-CB 4.41Å; F245-E287 HydrophobicContact CE1-CG 3.83Å; F245-E287 WeakPolarHBondContact CE1-OE1 3.45Å; F245-E287 HydrophobicContact CZ-CB 4.16Å; F245-E287 HydrophobicContact CZ-CG 4.1Å
246Q89.2Confident91.9Very high121 Ų12123.6 Ų23.657%0.56511%0.109SC*.Hα-helixtrans-77.4-33177.4-72.8177.2-8.800114L242 F243 G248L242-Q246 HydrophobicContact CD1-CG 4.39Å; L242-Q246 WeakPolarHBondContact O-CB 3.31Å; L242-Q246 VanDerWaalsContact O-CG 3.29Å; L242-Q246 WeakPolarHBondContact O-CG 3.32Å; L242-Q246 PolarHBondContact O-N 2.67Å; F243-Q246 PolarHBondContact O-N 3.32Å; Q246-G248 PolarHBondContact O-N 3.02Å
247D84.1Confident91.8Very high24 Ų2423.4 Ų23.413%0.12811%0.111CC..THydrogen-bonded Turntrans-76.3-5172.4-166.656.3000112.4K161 F243 M249 R1647 P1688K161-D247 IonicContact NZ-OD2 3.72Å; K161-D247 PolarHBondContact NZ-OD2 2.78Å; F243-D247 HydrophobicContact CE1-CB 4.34Å; F243-D247 WeakPolarHBondContact O-CB 3.33Å; F243-D247 PolarHBondContact O-N 3.05Å; D247-M249 HydrophobicContact CB-CG 4.23Å; D247-R1647 IonicContact OD1-CZ 3.61Å; D247-R1647 VanDerWaalsContact OD1-CZ 3.26Å; D247-R1647 IonicContact OD1-NH1 2.71Å; D247-R1647 PolarHBondContact OD1-NH1 3.32Å; D247-R1647 IonicContact OD1-NH2 3.29Å; D247-R1647 PolarHBondContact OD1-NH2 2.92Å; D247-P1688 WeakPolarHBondContact O-CB 3.49Å; D247-P1688 WeakPolarHBondContact O-CG 3.32Å
248G86.4Confident91.7Very high1 Ų124.7 Ų24.71%0.0112%0.115CC..THydrogen-bonded Turntrans78.816.7-179.600000114.3F184 M244 F245 Q246F184-G248 WeakPolarHBondContact CE1-O 3.38Å; M244-G248 PolarHBondContact O-N 3.43Å; F245-G248 PolarHBondContact O-N 3.21Å; Q246-G248 PolarHBondContact O-N 3.02Å
249M90.2Very high91.7Very high0 Ų023.8 Ų23.80%011%0.111CC..  trans-76-32.6-178-63.4178.163.900113.4A157 I160 K161 F184 M244 D247 P1688 W1689A157-M249 HydrophobicContact CB-SD 4.06Å; I160-M249 HydrophobicContact CG2-CE 4.06Å; K161-M249 HydrophobicContact CD-CE 4.23Å; K161-M249 HydrophobicContact CD-SD 4.46Å; K161-M249 WeakPolarHBondContact CE-SD 3.44Å; K161-M249 HydrophobicContact CG-CE 3.56Å; K161-M249 HydrophobicContact CG-SD 4.39Å; F184-M249 WeakPolarHBondContact CA-O 3.31Å; F184-M249 WeakPolarHBondContact CD1-O 3.49Å; M244-M249 HydrophobicContact CB-CB 4.16Å; M244-M249 HydrophobicContact CB-SD 4.4Å; M244-M249 HydrophobicContact CE-CE 4.01Å; M244-M249 HydrophobicContact CG-CE 4.46Å; M244-M249 HydrophobicContact CG-SD 3.98Å; M244-M249 WeakPolarHBondContact O-CB 3.5Å; M244-M249 PolarHBondContact O-N 3.06Å; D247-M249 HydrophobicContact CB-CG 4.23Å; M249-P1688 HydrophobicContact CG-CB 4.43Å; M249-W1689 HydrophobicContact CB-CZ2 3.87Å; M249-W1689 HydrophobicContact CE-CD2 4.41Å; M249-W1689 HydrophobicContact CE-CE3 4.04Å; M249-W1689 HydrophobicContact CE-CH2 3.43Å; M249-W1689 VanDerWaalsContact CE-CH2 3.43Å; M249-W1689 HydrophobicContact CE-CZ2 3.86Å; M249-W1689 HydrophobicContact CE-CZ3 3.54Å; M249-W1689 WeakPolarHBondContact O-CZ2 3.4Å; M249-W1689 PolarHBondContact O-NE1 2.88Å
250L92.1Very high91.7Very high3 Ų319 Ų192%0.0169%0.091CC..SBendtrans-86.8149.6-179.9-59.8-173.7000111.6T188 I191 M244 F245 R252 F255T188-L250 WeakPolarHBondContact OG1-CB 3.4Å; I191-L250 HydrophobicContact CG2-CD1 4.26Å; I191-L250 HydrophobicContact CG2-CD2 4.12Å; M244-L250 HydrophobicContact CB-CD1 4.19Å; M244-L250 HydrophobicContact CB-CD2 4.16Å; M244-L250 HydrophobicContact CB-CG 3.83Å; M244-L250 HydrophobicContact CE-CD2 3.79Å; M244-L250 PolarHBondContact O-N 2.98Å; F245-L250 HydrophobicContact CB-CD1 4.27Å; L250-R252 PolarHBondContact O-N 2.68Å; L250-R252 VanDerWaalsContact O-N 3.14Å; L250-F255 HydrophobicContact CD1-CD2 3.69Å; L250-F255 HydrophobicContact CD1-CE2 3.98Å; L250-F255 HydrophobicContact CD1-CG 4.12Å
251D91.2Very high91.4Very high20 Ų2022 Ų2211%0.10711%0.105CC..  trans-65.1110.9159.1-172-54.6000108.8F184 T188 H253 E254 F255 K1644F184-D251 HydrophobicContact CB-CB 4.23Å; T188-D251 PolarHBondContact OG1-N 3.03Å; D251-H253 PolarHBondContact OD1-N 3.05Å; D251-E254 HydrophobicContact CB-CB 3.97Å; D251-E254 PolarHBondContact OD1-N 2.7Å; D251-F255 WeakPolarHBondContact O-CB 3.45Å; D251-F255 PolarHBondContact O-N 3.25Å; D251-K1644 WeakPolarHBondContact OD2-CE 3.47Å; D251-K1644 IonicContact OD2-NZ 3.42Å; D251-K1644 PolarHBondContact OD2-NZ 3.35Å
252R91.9Very high91.2Very high19 Ų1922.1 Ų22.17%0.07211%0.105CC..Hα-helixtrans-69.7-33.2-172.9-66.5171.168.197.3-7.6112.4F245 L250 L256 E287 L1642F245-R252 HydrophobicContact CD2-CB 4.38Å; F245-R252 HydrophobicContact CD2-CG 3.97Å; F245-R252 VanDerWaalsContact CE1-CZ 3.47Å; F245-R252 VanDerWaalsContact CE1-NH1 3.34Å; F245-R252 HydrophobicContact CE2-CB 3.7Å; F245-R252 HydrophobicContact CE2-CG 3.69Å; F245-R252 HydrophobicContact CZ-CB 4.16Å; F245-R252 HydrophobicContact CZ-CG 4.08Å; F245-R252 PolarHBondContact O-NH1 3.06Å; L250-R252 PolarHBondContact O-N 2.68Å; L250-R252 VanDerWaalsContact O-N 3.14Å; R252-L256 WeakPolarHBondContact O-CB 3.34Å; R252-L256 VanDerWaalsContact O-CG 3.25Å; R252-L256 WeakPolarHBondContact O-CG 3.49Å; R252-L256 PolarHBondContact O-N 3.44Å; R252-L256 VanDerWaalsContact O-N 3.08Å; R252-E287 IonicContact CZ-OE1 2.7Å; R252-E287 IonicContact CZ-OE2 2.67Å; R252-E287 IonicContact NH1-OE1 2.64Å; R252-E287 IonicContact NH2-OE1 2.65Å; R252-E287 PolarHBondContact NH2-OE1 3.28Å; R252-E287 IonicContact NH2-OE2 2.86Å; R252-E287 PolarHBondContact NH2-OE2 3.28Å; R252-L1642 HydrophobicContact CB-CD1 4.29Å
253H90.9Very high91.1Very high27 Ų2720.9 Ų20.913%0.12510%0.099CC..Hα-helixtrans-76.8-44.2-178.6-166.478000110.8D251 T257 L1642D251-H253 PolarHBondContact OD1-N 3.05Å; H253-T257 WeakPolarHBondContact O-CB 3.42Å; H253-T257 PolarHBondContact O-N 3.03Å; H253-T257 PolarHBondContact O-OG1 2.93Å; H253-L1642 HydrophobicContact CB-CB 4.12Å; H253-L1642 HydrophobicContact CB-CG 4.44Å
254E90.5Very high90.8Very high55 Ų5522.3 Ų22.326%0.25711%0.106SC..Hα-helixtrans-63.5-40.9174.5-172.1173.9-160.500111.6T185 T188 Q189 D251 T257 W258T185-E254 WeakPolarHBondContact CA-OE2 3.33Å; T185-E254 WeakPolarHBondContact CB-OE2 3.28Å; T185-E254 WeakPolarHBondContact CG2-OE2 3.47Å; T185-E254 PolarHBondContact OG1-OE2 2.91Å; T185-E254 VanDerWaalsContact OG1-OE2 3.06Å; T188-E254 HydrophobicContact CG2-CB 4.06Å; T188-E254 HydrophobicContact CG2-CG 3.8Å; Q189-E254 VanDerWaalsContact CG-OE1 3.31Å; Q189-E254 WeakPolarHBondContact CG-OE1 3.43Å; Q189-E254 PolarHBondContact NE2-OE1 2.91Å; D251-E254 HydrophobicContact CB-CB 3.97Å; D251-E254 PolarHBondContact OD1-N 2.7Å; E254-T257 PolarHBondContact O-N 2.76Å; E254-W258 PolarHBondContact O-N 2.92Å
255F94.5Very high90.5Very high2 Ų227.1 Ų27.11%0.00913%0.127CC..Hα-helixtrans-65.2-46.8176.3-176.5-96.6000112.9T188 T192 A241 F245 L250 D251 T257 W258 V259 Y284T188-F255 HydrophobicContact CG2-CB 4.16Å; T192-F255 HydrophobicContact CG2-CD2 3.75Å; T192-F255 HydrophobicContact CG2-CE2 4.18Å; A241-F255 HydrophobicContact CB-CE2 4.03Å; A241-F255 HydrophobicContact CB-CZ 4.02Å; F245-F255 HydrophobicContact CD2-CB 4.36Å; F245-F255 AromaticContact CD2-CD1 3.52Å; F245-F255 HydrophobicContact CD2-CD1 3.52Å; F245-F255 HydrophobicContact CD2-CE1 4.12Å; F245-F255 HydrophobicContact CD2-CG 4.14Å; F245-F255 AromaticContact CE2-CD1 3.8Å; F245-F255 HydrophobicContact CE2-CD1 3.8Å; F245-F255 HydrophobicContact CG-CD1 4.44Å; L250-F255 HydrophobicContact CD1-CD2 3.69Å; L250-F255 HydrophobicContact CD1-CE2 3.98Å; L250-F255 HydrophobicContact CD1-CG 4.12Å; D251-F255 WeakPolarHBondContact O-CB 3.45Å; D251-F255 PolarHBondContact O-N 3.25Å; F255-T257 VanDerWaalsContact C-N 3.31Å; F255-T257 PolarHBondContact O-N 3.12Å; F255-W258 HydrophobicContact CD2-CE3 4.4Å; F255-W258 HydrophobicContact CE2-CE3 4.11Å; F255-W258 HydrophobicContact CE2-CZ3 4.09Å; F255-W258 HydrophobicContact CZ-CZ3 4.28Å; F255-W258 PolarHBondContact O-N 3.35Å; F255-V259 HydrophobicContact CD1-CG2 4.09Å; F255-V259 HydrophobicContact CE1-CG2 3.69Å; F255-V259 HydrophobicContact CZ-CG2 4.07Å; F255-V259 WeakPolarHBondContact O-CG2 3.34Å; F255-V259 PolarHBondContact O-N 3.41Å; F255-Y284 HydrophobicContact CE1-CE1 4.03Å; F255-Y284 HydrophobicContact CE1-CE2 4.05Å; F255-Y284 AromaticContact CE1-CZ 3.69Å
256L94.3Very high90.1Very high0 Ų027.7 Ų27.70%013%0.13CC..Hα-helixtrans-66.5-33176.8-69.8172.8000112.4F245 R252 V259 L260 Y284 E287 F288 L294 L1642F245-L256 HydrophobicContact CE2-CD1 4.49Å; F245-L256 HydrophobicContact CE2-CD2 4.3Å; F245-L256 HydrophobicContact CE2-CG 4.04Å; F245-L256 HydrophobicContact CZ-CD1 4.22Å; F245-L256 HydrophobicContact CZ-CD2 4.17Å; F245-L256 HydrophobicContact CZ-CG 4.14Å; R252-L256 WeakPolarHBondContact O-CB 3.34Å; R252-L256 VanDerWaalsContact O-CG 3.25Å; R252-L256 WeakPolarHBondContact O-CG 3.49Å; R252-L256 PolarHBondContact O-N 3.44Å; R252-L256 VanDerWaalsContact O-N 3.08Å; L256-V259 PolarHBondContact O-N 2.95Å; L256-L260 PolarHBondContact O-N 3.43Å; L256-Y284 HydrophobicContact CD2-CD1 4.07Å; L256-Y284 HydrophobicContact CD2-CG 4.02Å; L256-E287 HydrophobicContact CD1-CB 3.94Å; L256-E287 HydrophobicContact CD2-CB 4.25Å; L256-F288 HydrophobicContact CB-CE1 4.04Å; L256-F288 HydrophobicContact CB-CZ 4.19Å; L256-F288 HydrophobicContact CD2-CD2 4.26Å; L256-F288 HydrophobicContact CD2-CE1 4.5Å; L256-F288 HydrophobicContact CD2-CE2 3.92Å; L256-F288 HydrophobicContact CD2-CZ 4.04Å; L256-F288 WeakPolarHBondContact O-CE1 3.49Å; L256-F288 WeakPolarHBondContact O-CZ 3.41Å; L256-L294 HydrophobicContact CB-CD1 3.76Å; L256-L294 HydrophobicContact CD1-CD1 4.22Å; L256-L1642 HydrophobicContact CD1-CD1 3.69Å
257T92.3Very high89.7Confident24 Ų2429.3 Ų29.315%0.14713%0.131CC..Hα-helixtrans-60.6-46.1171.7-570000110.6H253 E254 F255 L260 E261 L294H253-T257 WeakPolarHBondContact O-CB 3.42Å; H253-T257 PolarHBondContact O-N 3.03Å; H253-T257 PolarHBondContact O-OG1 2.93Å; E254-T257 PolarHBondContact O-N 2.76Å; F255-T257 VanDerWaalsContact C-N 3.31Å; F255-T257 PolarHBondContact O-N 3.12Å; T257-L260 PolarHBondContact O-N 3.33Å; T257-E261 PolarHBondContact O-N 3.28Å; T257-L294 WeakPolarHBondContact OG1-CD2 3.48Å
258W93.9Very high89.1Confident26 Ų2633 Ų3310%0.09816%0.156CC..Hα-helixtrans-63.4-42.4174.2170.881.9000112.9T192 L195 W196 W234 E254 F255 L260 E261 C262T192-W258 VanDerWaalsContact CB-CG 3.49Å; T192-W258 HydrophobicContact CG2-CB 3.86Å; T192-W258 HydrophobicContact CG2-CD2 3.48Å; T192-W258 VanDerWaalsContact CG2-CD2 3.48Å; T192-W258 HydrophobicContact CG2-CE3 3.66Å; T192-W258 HydrophobicContact CG2-CG 3.56Å; T192-W258 HydrophobicContact CG2-CZ3 4.45Å; T192-W258 WeakPolarHBondContact O-CZ2 3.4Å; T192-W258 PolarHBondContact O-NE1 3.34Å; L195-W258 HydrophobicContact CB-CH2 3.53Å; L195-W258 HydrophobicContact CB-CZ2 3.65Å; L195-W258 HydrophobicContact CD1-CH2 3.78Å; L195-W258 HydrophobicContact CD1-CZ3 4.12Å; L195-W258 HydrophobicContact CG-CH2 4.29Å; W196-W258 HydrophobicContact CB-CZ2 4.46Å; W234-W258 HydrophobicContact CH2-CH2 4.33Å; W234-W258 HydrophobicContact CZ3-CH2 4.35Å; E254-W258 PolarHBondContact O-N 2.92Å; F255-W258 HydrophobicContact CD2-CE3 4.4Å; F255-W258 HydrophobicContact CE2-CE3 4.11Å; F255-W258 HydrophobicContact CE2-CZ3 4.09Å; F255-W258 HydrophobicContact CZ-CZ3 4.28Å; F255-W258 PolarHBondContact O-N 3.35Å; W258-L260 VanDerWaalsContact C-N 3.27Å; W258-L260 PolarHBondContact O-N 3.25Å; W258-E261 PolarHBondContact O-N 2.89Å; W258-C262 WeakPolarHBondContact CZ2-SG 3.42Å; W258-C262 PolarHBondContact O-N 3.39Å; W258-C262 PolarHBondContact O-SG 3.05Å
259V93.7Very high88.3Confident0 Ų036 Ų360%019%0.187CC..Hα-helixtrans-56-45.5175.51710000110F255 L256 C262 F263 L280 L281 Y284 F288F255-V259 HydrophobicContact CD1-CG2 4.09Å; F255-V259 HydrophobicContact CE1-CG2 3.69Å; F255-V259 HydrophobicContact CZ-CG2 4.07Å; F255-V259 WeakPolarHBondContact O-CG2 3.34Å; F255-V259 PolarHBondContact O-N 3.41Å; L256-V259 PolarHBondContact O-N 2.95Å; V259-C262 WeakPolarHBondContact O-CB 3.5Å; V259-C262 PolarHBondContact O-N 3.46Å; V259-F263 HydrophobicContact CG1-CE2 4.21Å; V259-F263 WeakPolarHBondContact O-CD2 3.32Å; V259-L280 HydrophobicContact CG1-CD2 4.25Å; V259-L280 HydrophobicContact CG1-CG 4.47Å; V259-L281 HydrophobicContact CG1-CD1 4.46Å; V259-Y284 HydrophobicContact CG2-CD2 4.45Å; V259-F288 HydrophobicContact CB-CZ 4.21Å; V259-F288 HydrophobicContact CG1-CE2 4.14Å; V259-F288 HydrophobicContact CG1-CZ 4.01Å
260L91.5Very high87.9Confident0 Ų036.7 Ų36.70%019%0.19CC..Hα-helixtrans-68.6-42.4179-177.754.8000112.9L256 T257 W258 C262 F263 E264 F288 R297 L298L256-L260 PolarHBondContact O-N 3.43Å; T257-L260 PolarHBondContact O-N 3.33Å; W258-L260 VanDerWaalsContact C-N 3.27Å; W258-L260 PolarHBondContact O-N 3.25Å; L260-C262 PolarHBondContact O-N 3.23Å; L260-F263 PolarHBondContact O-N 3.06Å; L260-E264 HydrophobicContact CD1-CG 4.39Å; L260-E264 HydrophobicContact CG-CG 4.33Å; L260-E264 PolarHBondContact O-N 3.3Å; L260-F288 HydrophobicContact CB-CE1 3.97Å; L260-F288 HydrophobicContact CB-CZ 4.13Å; L260-F288 HydrophobicContact CD2-CE1 4.35Å; L260-R297 HydrophobicContact CD2-CB 3.44Å; L260-R297 VanDerWaalsContact CD2-CB 3.44Å; L260-L298 HydrophobicContact CD1-CB 4.1Å; L260-L298 HydrophobicContact CD1-CD1 3.93Å; L260-L298 HydrophobicContact CD2-CB 4.24Å
261E90.3Very high87.3Confident63 Ų6338.3 Ų38.329%0.29420%0.199SC..Hα-helixtrans-57.1-31.5173.1-83.6-174.1-144.200112.8T257 W258 F263 K265T257-E261 PolarHBondContact O-N 3.28Å; W258-E261 PolarHBondContact O-N 2.89Å; E261-F263 VanDerWaalsContact C-N 3.25Å; E261-F263 PolarHBondContact O-N 2.94Å; E261-K265 WeakPolarHBondContact O-CB 3.48Å; E261-K265 VanDerWaalsContact O-CD 3.27Å; E261-K265 WeakPolarHBondContact O-CD 3.48Å; E261-K265 WeakPolarHBondContact O-CG 3.49Å; E261-K265 PolarHBondContact O-N 3.48Å; E261-K265 VanDerWaalsContact O-N 3.17Å; E261-K265 IonicContact OE2-NZ 3.61Å; E261-K265 PolarHBondContact OE2-NZ 3.48Å
262C89.3Confident86.8Confident2 Ų240.6 Ų40.61%0.01421%0.209CC..Hα-helixtrans-63.5-31.2174.6-70.80000112.8W196 L199 W258 V259 L260 I266W196-C262 VanDerWaalsContact CE3-SG 3.51Å; W196-C262 HydrophobicContact CZ3-CB 4.11Å; L199-C262 HydrophobicContact CD2-CB 4.23Å; W258-C262 WeakPolarHBondContact CZ2-SG 3.42Å; W258-C262 PolarHBondContact O-N 3.39Å; W258-C262 PolarHBondContact O-SG 3.05Å; V259-C262 WeakPolarHBondContact O-CB 3.5Å; V259-C262 PolarHBondContact O-N 3.46Å; L260-C262 PolarHBondContact O-N 3.23Å; C262-I266 VanDerWaalsContact O-CG1 3.32Å; C262-I266 WeakPolarHBondContact O-CG1 3.07Å
263F89.5Confident86.5Confident0 Ų040.1 Ų40.10%021%0.208CC..Hα-helixtrans-83.9-43.7175.9-71.4-82000112.4V259 L260 E261 K265 I266 L274 L277 L281 F301V259-F263 HydrophobicContact CG1-CE2 4.21Å; V259-F263 WeakPolarHBondContact O-CD2 3.32Å; L260-F263 PolarHBondContact O-N 3.06Å; E261-F263 VanDerWaalsContact C-N 3.25Å; E261-F263 PolarHBondContact O-N 2.94Å; F263-K265 PolarHBondContact O-N 2.95Å; F263-K265 VanDerWaalsContact O-N 3.14Å; F263-I266 HydrophobicContact CD1-CD1 3.94Å; F263-I266 WeakPolarHBondContact O-CB 3.25Å; F263-I266 PolarHBondContact O-N 3.21Å; F263-I266 VanDerWaalsContact O-N 3.07Å; F263-L274 HydrophobicContact CD1-CD1 3.67Å; F263-L274 HydrophobicContact CE1-CD1 4.07Å; F263-L277 HydrophobicContact CE1-CB 3.49Å; F263-L277 VanDerWaalsContact CE1-CB 3.49Å; F263-L277 HydrophobicContact CZ-CB 3.58Å; F263-L277 WeakPolarHBondContact CZ-O 3.32Å; F263-L281 HydrophobicContact CD1-CD2 4.15Å; F263-L281 HydrophobicContact CD2-CB 4.43Å; F263-L281 HydrophobicContact CD2-CD1 3.9Å; F263-L281 HydrophobicContact CD2-CD2 4.1Å; F263-L281 HydrophobicContact CD2-CG 4.38Å; F263-L281 HydrophobicContact CE1-CB 4.24Å; F263-L281 HydrophobicContact CE1-CD2 4.16Å; F263-L281 HydrophobicContact CE2-CB 3.71Å; F263-L281 HydrophobicContact CE2-CD1 3.85Å; F263-L281 HydrophobicContact CE2-CD2 4.16Å; F263-L281 HydrophobicContact CE2-CG 4.13Å; F263-L281 HydrophobicContact CG-CD2 4.13Å; F263-L281 HydrophobicContact CZ-CB 3.6Å; F263-L281 HydrophobicContact CZ-CD2 4.19Å; F263-L281 HydrophobicContact CZ-CG 4.34Å; F263-F301 HydrophobicContact CB-CD1 4.42Å; F263-F301 HydrophobicContact CB-CD2 4.41Å; F263-F301 HydrophobicContact CB-CE1 3.94Å; F263-F301 HydrophobicContact CB-CE2 3.92Å; F263-F301 HydrophobicContact CB-CZ 3.68Å; F263-F301 HydrophobicContact CD1-CE1 4.39Å; F263-F301 HydrophobicContact CD1-CZ 4.29Å; F263-F301 HydrophobicContact CG-CE1 4.45Å; F263-F301 HydrophobicContact CG-CZ 4.42Å; F263-F301 VanDerWaalsContact O-CE2 3.23Å; F263-F301 WeakPolarHBondContact O-CE2 3.47Å
264E86.5Confident86.4Confident81 Ų8138.9 Ų38.938%0.37920%0.202SC..Hα-helixtrans-57.3-27.6176.9-69.6173.517100112.7L260 R297L260-E264 HydrophobicContact CD1-CG 4.39Å; L260-E264 HydrophobicContact CG-CG 4.33Å; L260-E264 PolarHBondContact O-N 3.3Å; E264-R297 VanDerWaalsContact CD-NH2 3.26Å; E264-R297 IonicContact OE1-CZ 3.26Å; E264-R297 IonicContact OE1-NE 3.42Å; E264-R297 PolarHBondContact OE1-NE 3.31Å; E264-R297 IonicContact OE1-NH2 2.96Å; E264-R297 PolarHBondContact OE1-NH2 3.35Å; E264-R297 IonicContact OE2-CZ 3.19Å; E264-R297 IonicContact OE2-NE 3.38Å; E264-R297 IonicContact OE2-NH2 2.69Å; E264-R297 PolarHBondContact OE2-NH2 2.82Å
265K85.7Confident86.2Confident101 Ų10139 Ų3944%0.43920%0.202SC..THydrogen-bonded Turntrans-86.4-6.9179.4-68.9166.4-165.9166.20114.9W196 E261 F263W196-K265 HydrophobicContact CH2-CB 3.89Å; W196-K265 HydrophobicContact CH2-CD 3.5Å; W196-K265 HydrophobicContact CH2-CG 4.33Å; W196-K265 HydrophobicContact CZ2-CD 3.76Å; W196-K265 HydrophobicContact CZ3-CD 4.34Å; E261-K265 WeakPolarHBondContact O-CB 3.48Å; E261-K265 VanDerWaalsContact O-CD 3.27Å; E261-K265 WeakPolarHBondContact O-CD 3.48Å; E261-K265 WeakPolarHBondContact O-CG 3.49Å; E261-K265 PolarHBondContact O-N 3.48Å; E261-K265 VanDerWaalsContact O-N 3.17Å; E261-K265 IonicContact OE2-NZ 3.61Å; E261-K265 PolarHBondContact OE2-NZ 3.48Å; F263-K265 PolarHBondContact O-N 2.95Å; F263-K265 VanDerWaalsContact O-N 3.14Å
266I84.5Confident85.7Confident13 Ų1342.4 Ų42.47%0.06722%0.22CC..SBendtrans-75.6132.2175.6-53173.1000108.8C262 F263 E270 L273 L274 L277 R305C262-I266 VanDerWaalsContact O-CG1 3.32Å; C262-I266 WeakPolarHBondContact O-CG1 3.07Å; F263-I266 HydrophobicContact CD1-CD1 3.94Å; F263-I266 WeakPolarHBondContact O-CB 3.25Å; F263-I266 PolarHBondContact O-N 3.21Å; F263-I266 VanDerWaalsContact O-N 3.07Å; I266-E270 HydrophobicContact CG2-CB 3.65Å; I266-L273 HydrophobicContact CG2-CD2 4.44Å; I266-L274 HydrophobicContact CD1-CB 4.28Å; I266-L274 HydrophobicContact CD1-CD1 3.98Å; I266-L274 HydrophobicContact CG2-CB 4.48Å; I266-L277 HydrophobicContact CD1-CD1 3.82Å; I266-R305 VanDerWaalsContact C-NH2 3.34Å; I266-R305 PolarHBondContact O-NH2 3.39Å
267R79.8Confident85.4Confident155 Ų15542.5 Ų42.559%0.58522%0.22SC*.PPolyproline II helixtrans-78155.7-178.4-60.5178.9176-171-1.6112.3G269 E270 R305R267-G269 PolarHBondContact O-N 3.28Å; R267-E270 HydrophobicContact CB-CG 4.13Å; R267-E270 WeakPolarHBondContact CB-OE2 3.31Å; R267-E270 PolarHBondContact N-OE2 3.17Å; R267-E270 PolarHBondContact O-N 2.91Å; R267-R305 PolarHBondContact O-NH2 3.19Å
268P71.4Confident85.4Confident100 Ų10041.9 Ų41.965%0.64922%0.216SC*.THydrogen-bonded Turntrans-53.2134.8162.1-22.834.4000109.9
269G70.3Confident85.1Confident65 Ų6544.6 Ų44.667%0.6724%0.237SC*.THydrogen-bonded Turntrans88.3-15-176.100000116.2R267 D271R267-G269 PolarHBondContact O-N 3.28Å; G269-D271 PolarHBondContact O-N 2.84Å
270E80.9Confident85Confident15 Ų1545.4 Ų45.47%0.0724%0.241CC..  trans-81.244.7172.2-69.1175.6158.300111.4R207 I266 R267 E272 L273 L274R207-E270 IonicContact CZ-OE1 2.72Å; R207-E270 VanDerWaalsContact CZ-OE1 3.25Å; R207-E270 IonicContact NE-OE1 2.62Å; R207-E270 PolarHBondContact NE-OE1 2.82Å; R207-E270 IonicContact NH2-OE1 3.68Å; R207-E270 PolarHBondContact NH2-OE1 3.45Å; I266-E270 HydrophobicContact CG2-CB 3.65Å; R267-E270 HydrophobicContact CB-CG 4.13Å; R267-E270 WeakPolarHBondContact CB-OE2 3.31Å; R267-E270 PolarHBondContact N-OE2 3.17Å; R267-E270 PolarHBondContact O-N 2.91Å; E270-E272 PolarHBondContact O-N 3.28Å; E270-L273 HydrophobicContact CB-CB 4.46Å; E270-L273 WeakPolarHBondContact O-CB 3.37Å; E270-L273 PolarHBondContact O-N 3.26Å; E270-L274 PolarHBondContact O-N 3.46Å; E270-L274 VanDerWaalsContact O-N 3.1Å
271D80.7Confident84.9Confident36 Ų3645.4 Ų45.419%0.19324%0.241CC..Hα-helixtrans-70.7-32.8-166.2-80.52.5000114.3G269 L273 L274 K275 R305 H356 L359G269-D271 PolarHBondContact O-N 2.84Å; D271-L273 VanDerWaalsContact C-N 3.31Å; D271-L273 PolarHBondContact O-N 2.93Å; D271-L274 WeakPolarHBondContact O-CB 3.5Å; D271-L274 PolarHBondContact O-N 3.29Å; D271-K275 VanDerWaalsContact O-CB 3.3Å; D271-K275 WeakPolarHBondContact O-CB 3.44Å; D271-K275 PolarHBondContact O-N 3.43Å; D271-R305 IonicContact OD1-NH1 2.63Å; D271-R305 PolarHBondContact OD1-NH1 3.04Å; D271-H356 IonicContact OD2-CD2 3.75Å; D271-H356 IonicContact OD2-NE2 3.88Å; D271-H356 PolarHBondContact OD2-NE2 2.83Å; D271-L359 HydrophobicContact CB-CD1 4.17Å
272E81.3Confident84.9Confident68 Ų6845.6 Ų45.632%0.31824%0.244SC..Hα-helixtrans-69.6-28.8173.5-71.7-66.4164.200111.9Y206 E270 K275 L276 Q355Y206-E272 HydrophobicContact CD1-CB 4.26Å; E270-E272 PolarHBondContact O-N 3.28Å; E272-K275 VanDerWaalsContact CD-NZ 3.33Å; E272-K275 PolarHBondContact O-N 3.17Å; E272-K275 IonicContact OE1-NZ 3.28Å; E272-K275 PolarHBondContact OE1-NZ 3.35Å; E272-K275 WeakPolarHBondContact OE2-CD 3.25Å; E272-K275 WeakPolarHBondContact OE2-CE 3.28Å; E272-K275 IonicContact OE2-NZ 2.79Å; E272-K275 PolarHBondContact OE2-NZ 2.81Å; E272-L276 WeakPolarHBondContact O-CB 3.33Å; E272-L276 PolarHBondContact O-N 3.33Å; E272-Q355 WeakPolarHBondContact OE1-CG 3.46Å; E272-Q355 PolarHBondContact OE1-NE2 3.11Å
273L85.2Confident85Confident9 Ų951.8 Ų51.85%0.04727%0.267CS..Hα-helixtrans-71-41.2171.8-177.966.3000111L199 A203 Y206 I266 E270 D271 K275 L276 L277L199-L273 HydrophobicContact CD1-CD1 4.04Å; A203-L273 HydrophobicContact CB-CD1 4.42Å; A203-L273 HydrophobicContact CB-CD2 3.59Å; Y206-L273 HydrophobicContact CD2-CD1 4.23Å; I266-L273 HydrophobicContact CG2-CD2 4.44Å; E270-L273 HydrophobicContact CB-CB 4.46Å; E270-L273 WeakPolarHBondContact O-CB 3.37Å; E270-L273 PolarHBondContact O-N 3.26Å; D271-L273 VanDerWaalsContact C-N 3.31Å; D271-L273 PolarHBondContact O-N 2.93Å; L273-K275 VanDerWaalsContact C-N 3.3Å; L273-K275 PolarHBondContact O-N 2.89Å; L273-L276 PolarHBondContact O-N 3.14Å; L273-L277 WeakPolarHBondContact O-CG 3.15Å; L273-L277 PolarHBondContact O-N 2.89Å; L273-L277 VanDerWaalsContact O-N 3.08Å
274L87.5Confident85.2Confident1 Ų151.9 Ų51.91%0.00527%0.267CS..Hα-helixtrans-59.6-41.8172.3178.759.5000111.4F263 I266 E270 D271 L277 L278 F301 L359F263-L274 HydrophobicContact CD1-CD1 3.67Å; F263-L274 HydrophobicContact CE1-CD1 4.07Å; I266-L274 HydrophobicContact CD1-CB 4.28Å; I266-L274 HydrophobicContact CD1-CD1 3.98Å; I266-L274 HydrophobicContact CG2-CB 4.48Å; E270-L274 PolarHBondContact O-N 3.46Å; E270-L274 VanDerWaalsContact O-N 3.1Å; D271-L274 WeakPolarHBondContact O-CB 3.5Å; D271-L274 PolarHBondContact O-N 3.29Å; L274-L277 PolarHBondContact O-N 3.44Å; L274-L278 WeakPolarHBondContact O-CB 3.34Å; L274-L278 PolarHBondContact O-N 3.15Å; L274-F301 HydrophobicContact CD1-CE1 4.37Å; L274-F301 HydrophobicContact CD1-CZ 3.9Å; L274-L359 HydrophobicContact CB-CD2 4.4Å; L274-L359 HydrophobicContact CD2-CD1 4.28Å; L274-L359 HydrophobicContact CD2-CD2 4.19Å; L274-L359 HydrophobicContact CG-CD2 3.83Å
275K86.7Confident85.4Confident57 Ų5749.4 Ų49.425%0.24826%0.259CS..Hα-helixtrans-68.9-37.8178179170.8151.3-152.90113.1D271 E272 L273 L277 L359D271-K275 VanDerWaalsContact O-CB 3.3Å; D271-K275 WeakPolarHBondContact O-CB 3.44Å; D271-K275 PolarHBondContact O-N 3.43Å; E272-K275 VanDerWaalsContact CD-NZ 3.33Å; E272-K275 PolarHBondContact O-N 3.17Å; E272-K275 IonicContact OE1-NZ 3.28Å; E272-K275 PolarHBondContact OE1-NZ 3.35Å; E272-K275 WeakPolarHBondContact OE2-CD 3.25Å; E272-K275 WeakPolarHBondContact OE2-CE 3.28Å; E272-K275 IonicContact OE2-NZ 2.79Å; E272-K275 PolarHBondContact OE2-NZ 2.81Å; L273-K275 VanDerWaalsContact C-N 3.3Å; L273-K275 PolarHBondContact O-N 2.89Å; K275-L277 VanDerWaalsContact C-N 3.32Å; K275-L359 HydrophobicContact CB-CD2 3.83Å; K275-L359 HydrophobicContact CB-CG 4.42Å
276L84.8Confident85.6Confident74 Ų7446.5 Ų46.539%0.38726%0.258SS..Hα-helixtrans-62.2-39.8172.3178.162.6000111.8M202 Y206 E272 L273M202-L276 HydrophobicContact SD-CD2 4.17Å; Y206-L276 HydrophobicContact CD2-CD2 4.47Å; Y206-L276 HydrophobicContact CE2-CD2 3.69Å; E272-L276 WeakPolarHBondContact O-CB 3.33Å; E272-L276 PolarHBondContact O-N 3.33Å; L273-L276 PolarHBondContact O-N 3.14Å
277L88.3Confident86Confident3 Ų347.9 Ų47.92%0.01626%0.264CS..Hα-helixtrans-84.2-28.1-177.9-71178.2000114.4L199 W234 F263 I266 L273 L274 K275 P279 L280L199-L277 HydrophobicContact CD1-CD1 4Å; L199-L277 HydrophobicContact CD1-CD2 3.93Å; L199-L277 HydrophobicContact CD1-CG 4.3Å; L199-L277 HydrophobicContact CD2-CD1 3.98Å; L199-L277 HydrophobicContact CD2-CD2 4.41Å; W234-L277 HydrophobicContact CH2-CD2 3.88Å; W234-L277 HydrophobicContact CZ2-CD2 3.48Å; W234-L277 VanDerWaalsContact CZ2-CD2 3.48Å; F263-L277 HydrophobicContact CE1-CB 3.49Å; F263-L277 VanDerWaalsContact CE1-CB 3.49Å; F263-L277 HydrophobicContact CZ-CB 3.58Å; F263-L277 WeakPolarHBondContact CZ-O 3.32Å; I266-L277 HydrophobicContact CD1-CD1 3.82Å; L273-L277 WeakPolarHBondContact O-CG 3.15Å; L273-L277 PolarHBondContact O-N 2.89Å; L273-L277 VanDerWaalsContact O-N 3.08Å; L274-L277 PolarHBondContact O-N 3.44Å; K275-L277 VanDerWaalsContact C-N 3.32Å; L277-P279 VanDerWaalsContact C-N 3.3Å; L277-P279 WeakPolarHBondContact O-CD 3.4Å; L277-L280 WeakPolarHBondContact O-CA 3.27Å; L277-L280 WeakPolarHBondContact O-CB 3.14Å; L277-L280 PolarHBondContact O-N 2.96Å
278L90.7Very high86.6Confident10 Ų1040.6 Ų40.65%0.05224%0.237CC..Hα-helixtrans-45-39.5-175.3177.266000115.7L274 L280 L281 L282 P358 L359 I366L274-L278 WeakPolarHBondContact O-CB 3.34Å; L274-L278 PolarHBondContact O-N 3.15Å; L278-L280 PolarHBondContact O-N 2.86Å; L278-L281 PolarHBondContact O-N 3.33Å; L278-L281 VanDerWaalsContact O-N 3.1Å; L278-L282 HydrophobicContact CD1-CD1 4.23Å; L278-L282 HydrophobicContact CD1-CG 4.17Å; L278-L282 HydrophobicContact CD2-CD1 4.44Å; L278-L282 HydrophobicContact CG-CD1 3.93Å; L278-L282 HydrophobicContact CG-CG 4.34Å; L278-L282 PolarHBondContact O-N 3.38Å; L278-P358 VanDerWaalsContact CD2-O 3.25Å; L278-P358 WeakPolarHBondContact CD2-O 3.35Å; L278-L359 HydrophobicContact CD2-CD2 4.13Å; L278-I366 HydrophobicContact CD1-CD1 4.37Å
279P89.4Confident87.7Confident84 Ų8436.5 Ų36.555%0.54521%0.21SC..Hα-helixtrans-59-30.1175.2-25.736.4000114.4L277 R283L277-P279 VanDerWaalsContact C-N 3.3Å; L277-P279 WeakPolarHBondContact O-CD 3.4Å; P279-R283 VanDerWaalsContact O-CB 3.24Å; P279-R283 WeakPolarHBondContact O-CB 3.09Å; P279-R283 PolarHBondContact O-N 3.35Å
280L90.2Very high88.8Confident16 Ų1637.5 Ų37.58%0.08420%0.197CC..Hα-helixtrans-64.2-46.5173.8-170.575.7000110.6W234 E238 V259 L277 L278 R283 Y284W234-L280 HydrophobicContact CH2-CD2 4.35Å; W234-L280 HydrophobicContact CZ2-CD2 4.19Å; E238-L280 HydrophobicContact CG-CD1 3.66Å; V259-L280 HydrophobicContact CG1-CD2 4.25Å; V259-L280 HydrophobicContact CG1-CG 4.47Å; L277-L280 WeakPolarHBondContact O-CA 3.27Å; L277-L280 WeakPolarHBondContact O-CB 3.14Å; L277-L280 PolarHBondContact O-N 2.96Å; L278-L280 PolarHBondContact O-N 2.86Å; L280-R283 WeakPolarHBondContact O-CB 3.48Å; L280-R283 PolarHBondContact O-N 2.65Å; L280-Y284 HydrophobicContact CD1-CD2 4.37Å; L280-Y284 HydrophobicContact CD1-CE2 3.81Å; L280-Y284 HydrophobicContact CG-CD2 4.34Å; L280-Y284 HydrophobicContact CG-CE2 4.25Å; L280-Y284 VanDerWaalsContact O-CD2 3.22Å; L280-Y284 WeakPolarHBondContact O-CD2 3.25Å; L280-Y284 PolarHBondContact O-N 2.97Å
281L90.3Very high89.3Confident0 Ų036.8 Ų36.80%019%0.194CC..Hα-helixtrans-66-44.5-178.9-164.556.5000111.5V259 F263 L278 R283 Y284 S285 F288 L298 I366V259-L281 HydrophobicContact CG1-CD1 4.46Å; F263-L281 HydrophobicContact CD1-CD2 4.15Å; F263-L281 HydrophobicContact CD2-CB 4.43Å; F263-L281 HydrophobicContact CD2-CD1 3.9Å; F263-L281 HydrophobicContact CD2-CD2 4.1Å; F263-L281 HydrophobicContact CD2-CG 4.38Å; F263-L281 HydrophobicContact CE1-CB 4.24Å; F263-L281 HydrophobicContact CE1-CD2 4.16Å; F263-L281 HydrophobicContact CE2-CB 3.71Å; F263-L281 HydrophobicContact CE2-CD1 3.85Å; F263-L281 HydrophobicContact CE2-CD2 4.16Å; F263-L281 HydrophobicContact CE2-CG 4.13Å; F263-L281 HydrophobicContact CG-CD2 4.13Å; F263-L281 HydrophobicContact CZ-CB 3.6Å; F263-L281 HydrophobicContact CZ-CD2 4.19Å; F263-L281 HydrophobicContact CZ-CG 4.34Å; L278-L281 PolarHBondContact O-N 3.33Å; L278-L281 VanDerWaalsContact O-N 3.1Å; L281-R283 VanDerWaalsContact C-N 3.33Å; L281-R283 PolarHBondContact O-N 2.93Å; L281-Y284 PolarHBondContact O-N 3.46Å; L281-S285 PolarHBondContact O-N 3.36Å; L281-F288 HydrophobicContact CD1-CD2 4.48Å; L281-F288 HydrophobicContact CD1-CE2 3.8Å; L281-F288 HydrophobicContact CD1-CZ 4.22Å; L281-L298 HydrophobicContact CD1-CD1 3.9Å; L281-L298 HydrophobicContact CD1-CD2 4.41Å; L281-L298 HydrophobicContact CD2-CD1 3.92Å; L281-L298 HydrophobicContact CG-CD1 4.22Å; L281-I366 HydrophobicContact CB-CD1 4.39Å; L281-I366 HydrophobicContact CD2-CD1 3.7Å; L281-I366 HydrophobicContact CG-CD1 3.76Å
282L90.7Very high89.8Confident67 Ų6735.4 Ų35.435%0.35119%0.187SC..Hα-helixtrans-61.5-39.8175.2-70170.3000111.8L278 Y284 S285 I366L278-L282 HydrophobicContact CD1-CD1 4.23Å; L278-L282 HydrophobicContact CD1-CG 4.17Å; L278-L282 HydrophobicContact CD2-CD1 4.44Å; L278-L282 HydrophobicContact CG-CD1 3.93Å; L278-L282 HydrophobicContact CG-CG 4.34Å; L278-L282 PolarHBondContact O-N 3.38Å; L282-Y284 VanDerWaalsContact C-N 3.31Å; L282-Y284 PolarHBondContact O-N 2.91Å; L282-S285 WeakPolarHBondContact O-CB 3.3Å; L282-S285 PolarHBondContact O-N 2.96Å; L282-S285 PolarHBondContact O-OG 3.5Å; L282-I366 HydrophobicContact CD2-CD1 3.98Å; L282-I366 HydrophobicContact CD2-CG1 3.84Å; L282-I366 HydrophobicContact CG-CD1 4.49Å
283R90.9Very high90.2Very high132 Ų13234.6 Ų34.650%0.49818%0.182SC..Hα-helixtrans-60.9-34.1176.5163.5168.7-80.6172.10.1113.7E238 L242 P279 L280 L281E238-R283 WeakPolarHBondContact OE1-CD 3.5Å; E238-R283 IonicContact OE1-CZ 2.65Å; E238-R283 IonicContact OE1-NE 3.25Å; E238-R283 IonicContact OE1-NH1 3Å; E238-R283 PolarHBondContact OE1-NH1 2.94Å; E238-R283 IonicContact OE2-NH1 3.27Å; E238-R283 PolarHBondContact OE2-NH1 3.41Å; L242-R283 HydrophobicContact CD1-CG 4.31Å; P279-R283 VanDerWaalsContact O-CB 3.24Å; P279-R283 WeakPolarHBondContact O-CB 3.09Å; P279-R283 PolarHBondContact O-N 3.35Å; L280-R283 WeakPolarHBondContact O-CB 3.48Å; L280-R283 PolarHBondContact O-N 2.65Å; L281-R283 VanDerWaalsContact C-N 3.33Å; L281-R283 PolarHBondContact O-N 2.93Å
284Y92.9Very high90.5Very high2 Ų234.1 Ų34.11%0.00818%0.179CC..Hα-helixtrans-98.82.6178.6-66.8-71.3000114.1L242 F245 F255 L256 V259 L280 L281 L282 G286 E287 F288L242-Y284 WeakPolarHBondContact CA-OH 3.41Å; L242-Y284 HydrophobicContact CD1-CE1 3.83Å; L242-Y284 WeakPolarHBondContact CD1-OH 3.2Å; F245-Y284 HydrophobicContact CD1-CD1 4.37Å; F245-Y284 AromaticContact CD1-CE1 3.83Å; F245-Y284 HydrophobicContact CD1-CE1 3.83Å; F245-Y284 HydrophobicContact CE1-CD1 4.02Å; F245-Y284 AromaticContact CE1-CE1 3.95Å; F245-Y284 HydrophobicContact CE1-CE1 3.95Å; F245-Y284 HydrophobicContact CG-CE1 4.13Å; F245-Y284 HydrophobicContact CZ-CD1 4.22Å; F245-Y284 HydrophobicContact CZ-CE1 4.36Å; F255-Y284 HydrophobicContact CE1-CE1 4.03Å; F255-Y284 HydrophobicContact CE1-CE2 4.05Å; F255-Y284 AromaticContact CE1-CZ 3.69Å; L256-Y284 HydrophobicContact CD2-CD1 4.07Å; L256-Y284 HydrophobicContact CD2-CG 4.02Å; V259-Y284 HydrophobicContact CG2-CD2 4.45Å; L280-Y284 HydrophobicContact CD1-CD2 4.37Å; L280-Y284 HydrophobicContact CD1-CE2 3.81Å; L280-Y284 HydrophobicContact CG-CD2 4.34Å; L280-Y284 HydrophobicContact CG-CE2 4.25Å; L280-Y284 VanDerWaalsContact O-CD2 3.22Å; L280-Y284 WeakPolarHBondContact O-CD2 3.25Å; L280-Y284 PolarHBondContact O-N 2.97Å; L281-Y284 PolarHBondContact O-N 3.46Å; L282-Y284 VanDerWaalsContact C-N 3.31Å; L282-Y284 PolarHBondContact O-N 2.91Å; Y284-G286 PolarHBondContact O-N 3.45Å; Y284-E287 HydrophobicContact CD1-CG 4.44Å; Y284-E287 WeakPolarHBondContact O-CA 2.75Å; Y284-E287 VanDerWaalsContact O-CB 3.31Å; Y284-E287 WeakPolarHBondContact O-CB 3.23Å; Y284-E287 PolarHBondContact O-N 2.93Å; Y284-F288 VanDerWaalsContact O-CD2 3.3Å; Y284-F288 WeakPolarHBondContact O-CD2 3.44Å; Y284-F288 PolarHBondContact O-N 3.16Å
285S90.4Very high90.8Very high29 Ų2934.1 Ų34.120%0.20318%0.179CC..Hα-helixtrans-53-45.1-176.857.90000114.3L281 L282 E287 F288 V289L281-S285 PolarHBondContact O-N 3.36Å; L282-S285 WeakPolarHBondContact O-CB 3.3Å; L282-S285 PolarHBondContact O-N 2.96Å; L282-S285 PolarHBondContact O-OG 3.5Å; S285-E287 PolarHBondContact O-N 3.21Å; S285-F288 PolarHBondContact O-N 3.38Å; S285-V289 PolarHBondContact O-N 2.96Å
286G89.7Confident91Very high41 Ų4132.1 Ų32.142%0.42317%0.17SC..Hα-helixtrans-67.4-10.9175.500000115.2Y284 V289 Q290Y284-G286 PolarHBondContact O-N 3.45Å; G286-V289 WeakPolarHBondContact O-CG2 3.44Å; G286-Q290 PolarHBondContact O-NE2 2.95Å; G286-Q290 VanDerWaalsContact O-NE2 3.11Å
287E93.1Very high91.3Very high42 Ų4230.9 Ų30.920%0.19616%0.16CC..Hα-helixtrans-98.1-35.3176.4-53.8-77.5-153.900110.8F245 R252 L256 Y284 S285 V289 Q290F245-E287 HydrophobicContact CE1-CB 4.41Å; F245-E287 HydrophobicContact CE1-CG 3.83Å; F245-E287 WeakPolarHBondContact CE1-OE1 3.45Å; F245-E287 HydrophobicContact CZ-CB 4.16Å; F245-E287 HydrophobicContact CZ-CG 4.1Å; R252-E287 IonicContact CZ-OE1 2.7Å; R252-E287 IonicContact CZ-OE2 2.67Å; R252-E287 IonicContact NH1-OE1 2.64Å; R252-E287 IonicContact NH2-OE1 2.65Å; R252-E287 PolarHBondContact NH2-OE1 3.28Å; R252-E287 IonicContact NH2-OE2 2.86Å; R252-E287 PolarHBondContact NH2-OE2 3.28Å; L256-E287 HydrophobicContact CD1-CB 3.94Å; L256-E287 HydrophobicContact CD2-CB 4.25Å; Y284-E287 HydrophobicContact CD1-CG 4.44Å; Y284-E287 WeakPolarHBondContact O-CA 2.75Å; Y284-E287 VanDerWaalsContact O-CB 3.31Å; Y284-E287 WeakPolarHBondContact O-CB 3.23Å; Y284-E287 PolarHBondContact O-N 2.93Å; S285-E287 PolarHBondContact O-N 3.21Å; E287-V289 VanDerWaalsContact C-N 3.31Å; E287-V289 PolarHBondContact O-N 2.91Å; E287-Q290 WeakPolarHBondContact O-CB 3.39Å; E287-Q290 PolarHBondContact O-N 3.01Å; E287-Q290 PolarHBondContact OE2-NE2 3.49Å
288F94.2Very high91.5Very high1 Ų130.8 Ų30.80%0.00416%0.16CC..Hα-helixtrans-57.4-42.3171.5-83.3-74.5000112.3L256 V259 L260 L281 Y284 S285 Q290 S291 L294 S295 L298L256-F288 HydrophobicContact CB-CE1 4.04Å; L256-F288 HydrophobicContact CB-CZ 4.19Å; L256-F288 HydrophobicContact CD2-CD2 4.26Å; L256-F288 HydrophobicContact CD2-CE1 4.5Å; L256-F288 HydrophobicContact CD2-CE2 3.92Å; L256-F288 HydrophobicContact CD2-CZ 4.04Å; L256-F288 WeakPolarHBondContact O-CE1 3.49Å; L256-F288 WeakPolarHBondContact O-CZ 3.41Å; V259-F288 HydrophobicContact CB-CZ 4.21Å; V259-F288 HydrophobicContact CG1-CE2 4.14Å; V259-F288 HydrophobicContact CG1-CZ 4.01Å; L260-F288 HydrophobicContact CB-CE1 3.97Å; L260-F288 HydrophobicContact CB-CZ 4.13Å; L260-F288 HydrophobicContact CD2-CE1 4.35Å; L281-F288 HydrophobicContact CD1-CD2 4.48Å; L281-F288 HydrophobicContact CD1-CE2 3.8Å; L281-F288 HydrophobicContact CD1-CZ 4.22Å; Y284-F288 VanDerWaalsContact O-CD2 3.3Å; Y284-F288 WeakPolarHBondContact O-CD2 3.44Å; Y284-F288 PolarHBondContact O-N 3.16Å; S285-F288 PolarHBondContact O-N 3.38Å; F288-Q290 PolarHBondContact O-N 3.16Å; F288-Q290 VanDerWaalsContact O-N 3.11Å; F288-S291 PolarHBondContact O-N 3.26Å; F288-L294 HydrophobicContact CD1-CB 3.85Å; F288-L294 HydrophobicContact CE1-CB 4.31Å; F288-S295 PolarHBondContact O-OG 2.87Å; F288-L298 HydrophobicContact CB-CD2 3.89Å; F288-L298 HydrophobicContact CD1-CD2 3.98Å; F288-L298 HydrophobicContact CD2-CD2 3.91Å; F288-L298 HydrophobicContact CE2-CD2 4.48Å; F288-L298 HydrophobicContact CG-CD2 3.65Å
289V94Very high91.6Very high15 Ų1530.3 Ų30.39%0.09116%0.157CC..THydrogen-bonded Turntrans-68.5-4.8179.4-620000114.8S285 G286 E287 S291 S295 T369 I370 C373 C374 Q1638S285-V289 PolarHBondContact O-N 2.96Å; G286-V289 WeakPolarHBondContact O-CG2 3.44Å; E287-V289 VanDerWaalsContact C-N 3.31Å; E287-V289 PolarHBondContact O-N 2.91Å; V289-S291 VanDerWaalsContact C-N 3.28Å; V289-S295 WeakPolarHBondContact CA-OG 3.29Å; V289-T369 HydrophobicContact CG1-CG2 4.16Å; V289-I370 HydrophobicContact CG1-CG1 4.1Å; V289-C373 HydrophobicContact CB-CB 3.79Å; V289-C373 HydrophobicContact CG1-CB 4.02Å; V289-C373 HydrophobicContact CG2-CB 3.9Å; V289-C374 HydrophobicContact CB-CB 4.18Å; V289-C374 HydrophobicContact CG1-CB 4.38Å; V289-Q1638 PolarHBondContact O-NE2 3.5Å
290Q92.1Very high91.7Very high85 Ų8527.1 Ų27.140%0.39713%0.134SC..THydrogen-bonded Turntrans-81.3-6.8168.9-67.5163.24200112.8G286 E287 F288 L1642G286-Q290 PolarHBondContact O-NE2 2.95Å; G286-Q290 VanDerWaalsContact O-NE2 3.11Å; E287-Q290 WeakPolarHBondContact O-CB 3.39Å; E287-Q290 PolarHBondContact O-N 3.01Å; E287-Q290 PolarHBondContact OE2-NE2 3.49Å; F288-Q290 PolarHBondContact O-N 3.16Å; F288-Q290 VanDerWaalsContact O-N 3.11Å; Q290-L1642 HydrophobicContact CB-CD2 3.59Å; Q290-L1642 WeakPolarHBondContact O-CD2 3.28Å
291S92.1Very high91.7Very high1 Ų127.2 Ų27.21%0.00713%0.134CC..  trans-136.8116.5175.2-1690000111.5F288 V289 Y293 L294 S295 Q1638 L1640F288-S291 PolarHBondContact O-N 3.26Å; V289-S291 VanDerWaalsContact C-N 3.28Å; S291-Y293 VanDerWaalsContact C-N 3.29Å; S291-Y293 PolarHBondContact O-N 2.9Å; S291-L294 PolarHBondContact O-N 2.85Å; S291-S295 WeakPolarHBondContact O-CB 3.19Å; S291-S295 PolarHBondContact O-N 2.88Å; S291-S295 PolarHBondContact O-OG 2.93Å; S291-S295 VanDerWaalsContact O-OG 3.09Å; S291-Q1638 CarbonylContact C-O 3.6Å; S291-Q1638 WeakPolarHBondContact CA-O 3.49Å; S291-L1640 PolarHBondContact OG-O 3.46Å
292A91.3Very high91.8Very high6 Ų627.2 Ų27.25%0.0513%0.134CC..Hα-helixtrans-61.8-35.4-179.800000112.3S295 R296 C374 A377 Q1638 L1639A292-S295 PolarHBondContact O-N 3.01Å; A292-R296 WeakPolarHBondContact O-CB 3.4Å; A292-R296 PolarHBondContact O-N 2.82Å; A292-C374 VanDerWaalsContact CA-SG 3.57Å; A292-A377 HydrophobicContact CB-CB 4.36Å; A292-A377 WeakPolarHBondContact O-CB 3.48Å; A292-Q1638 WeakPolarHBondContact CB-O 3.46Å; A292-Q1638 PolarHBondContact N-O 3.29Å; A292-L1639 HydrophobicContact CB-CD2 3.99Å
293Y89.2Confident91.8Very high51 Ų5124 Ų2420%0.212%0.117CC..Hα-helixtrans-60.6-49.4174.2171-104.5000112.1S291 R296 R297 L1595S291-Y293 VanDerWaalsContact C-N 3.29Å; S291-Y293 PolarHBondContact O-N 2.9Å; Y293-R296 PolarHBondContact O-N 3.43Å; Y293-R297 PolarHBondContact O-N 3.47Å; Y293-R297 PolarHBondContact OH-NH1 2.82Å; Y293-L1595 HydrophobicContact CD2-CD1 3.76Å; Y293-L1595 HydrophobicContact CE2-CD1 4.11Å; Y293-L1595 HydrophobicContact CG-CD1 4.43Å
294L91.3Very high91.7Very high0 Ų021.4 Ų21.40%011%0.108CC..Hα-helixtrans-70-39.4179.4-58.6179.1000111.3L256 T257 F288 S291 R296 R297 L298L256-L294 HydrophobicContact CB-CD1 3.76Å; L256-L294 HydrophobicContact CD1-CD1 4.22Å; T257-L294 WeakPolarHBondContact OG1-CD2 3.48Å; F288-L294 HydrophobicContact CD1-CB 3.85Å; F288-L294 HydrophobicContact CE1-CB 4.31Å; S291-L294 PolarHBondContact O-N 2.85Å; L294-R296 VanDerWaalsContact C-N 3.34Å; L294-R296 PolarHBondContact O-N 3.32Å; L294-R297 PolarHBondContact O-N 3.07Å; L294-L298 VanDerWaalsContact O-CB 3.31Å; L294-L298 WeakPolarHBondContact O-CB 3.04Å; L294-L298 PolarHBondContact O-N 2.77Å
295S94.3Very high91.4Very high0 Ų022.2 Ų22.20%011%0.111CC..Hα-helixtrans-61.1-39.5173.8-68.50000112.6F288 V289 S291 A292 L298 A299F288-S295 PolarHBondContact O-OG 2.87Å; V289-S295 WeakPolarHBondContact CA-OG 3.29Å; S291-S295 WeakPolarHBondContact O-CB 3.19Å; S291-S295 PolarHBondContact O-N 2.88Å; S291-S295 PolarHBondContact O-OG 2.93Å; S291-S295 VanDerWaalsContact O-OG 3.09Å; A292-S295 PolarHBondContact O-N 3.01Å; S295-L298 PolarHBondContact O-N 2.86Å; S295-A299 VanDerWaalsContact O-CB 3.32Å; S295-A299 WeakPolarHBondContact O-CB 3.24Å; S295-A299 PolarHBondContact O-N 2.78Å
296R92Very high91.3Very high16 Ų1620.8 Ų20.86%0.0610%0.101CC..Hα-helixtrans-67.4-44.5179.1-176.7172.1-177.493.7-3111.8A292 Y293 L294 A299 Y300 A377 V379 H381 G392 P394A292-R296 WeakPolarHBondContact O-CB 3.4Å; A292-R296 PolarHBondContact O-N 2.82Å; Y293-R296 PolarHBondContact O-N 3.43Å; L294-R296 VanDerWaalsContact C-N 3.34Å; L294-R296 PolarHBondContact O-N 3.32Å; R296-A299 PolarHBondContact O-N 3.44Å; R296-Y300 HydrophobicContact CG-CD2 4.13Å; R296-Y300 HydrophobicContact CG-CE2 3.89Å; R296-Y300 PolarHBondContact NH2-OH 2.89Å; R296-Y300 VanDerWaalsContact O-CD2 3.27Å; R296-Y300 WeakPolarHBondContact O-CD2 3.38Å; R296-Y300 PolarHBondContact O-N 3.43Å; R296-A377 HydrophobicContact CB-CB 4.13Å; R296-A377 WeakPolarHBondContact CB-O 3.23Å; R296-A377 VanDerWaalsContact CG-O 3.3Å; R296-A377 WeakPolarHBondContact CG-O 3.37Å; R296-A377 PolarHBondContact NH1-O 2.89Å; R296-V379 PolarHBondContact NH1-O 2.85Å; R296-H381 PolarHBondContact NH1-ND1 2.99Å; R296-G392 PolarHBondContact NH2-O 2.96Å; R296-P394 HydrophobicContact CG-CG 3.85Å
297R90.8Very high91.2Very high47 Ų4719.7 Ų19.718%0.1779%0.088CC..Hα-helixtrans-62-44.6173-75.4177.260.1-180-3.8111.7L260 E264 Y293 L294 A299 Y300 F301L260-R297 HydrophobicContact CD2-CB 3.44Å; L260-R297 VanDerWaalsContact CD2-CB 3.44Å; E264-R297 VanDerWaalsContact CD-NH2 3.26Å; E264-R297 IonicContact OE1-CZ 3.26Å; E264-R297 IonicContact OE1-NE 3.42Å; E264-R297 PolarHBondContact OE1-NE 3.31Å; E264-R297 IonicContact OE1-NH2 2.96Å; E264-R297 PolarHBondContact OE1-NH2 3.35Å; E264-R297 IonicContact OE2-CZ 3.19Å; E264-R297 IonicContact OE2-NE 3.38Å; E264-R297 IonicContact OE2-NH2 2.69Å; E264-R297 PolarHBondContact OE2-NH2 2.82Å; Y293-R297 PolarHBondContact O-N 3.47Å; Y293-R297 PolarHBondContact OH-NH1 2.82Å; L294-R297 PolarHBondContact O-N 3.07Å; R297-A299 VanDerWaalsContact C-N 3.33Å; R297-A299 PolarHBondContact O-N 3.32Å; R297-Y300 PolarHBondContact O-N 3.23Å; R297-F301 PolarHBondContact O-N 2.83Å
298L92.7Very high90.7Very high1 Ų122.2 Ų22.21%0.00510%0.102CC..Hα-helixtrans-62.5-39.1176.8177.853.7000111.9L260 L281 F288 L294 S295 F301 C302 I366 I370L260-L298 HydrophobicContact CD1-CB 4.1Å; L260-L298 HydrophobicContact CD1-CD1 3.93Å; L260-L298 HydrophobicContact CD2-CB 4.24Å; L281-L298 HydrophobicContact CD1-CD1 3.9Å; L281-L298 HydrophobicContact CD1-CD2 4.41Å; L281-L298 HydrophobicContact CD2-CD1 3.92Å; L281-L298 HydrophobicContact CG-CD1 4.22Å; F288-L298 HydrophobicContact CB-CD2 3.89Å; F288-L298 HydrophobicContact CD1-CD2 3.98Å; F288-L298 HydrophobicContact CD2-CD2 3.91Å; F288-L298 HydrophobicContact CE2-CD2 4.48Å; F288-L298 HydrophobicContact CG-CD2 3.65Å; L294-L298 VanDerWaalsContact O-CB 3.31Å; L294-L298 WeakPolarHBondContact O-CB 3.04Å; L294-L298 PolarHBondContact O-N 2.77Å; S295-L298 PolarHBondContact O-N 2.86Å; L298-F301 HydrophobicContact CD1-CD1 4.48Å; L298-F301 PolarHBondContact O-N 2.64Å; L298-C302 PolarHBondContact O-N 2.86Å; L298-C302 PolarHBondContact O-SG 3.46Å; L298-C302 VanDerWaalsContact O-SG 3.33Å; L298-I366 HydrophobicContact CD1-CG2 4.03Å; L298-I366 HydrophobicContact CD2-CG2 3.73Å; L298-I366 HydrophobicContact CG-CG2 3.74Å; L298-I370 HydrophobicContact CB-CD1 4.25Å; L298-I370 HydrophobicContact CD2-CD1 4.1Å; L298-I370 HydrophobicContact CG-CD1 3.92Å
299A92.9Very high89.9Confident0 Ų022.9 Ų22.90%011%0.105CC..Hα-helixtrans-62.1-48.8174.100000111.9S295 R296 R297 F301 C302 T303 L367 I370 L378 P394S295-A299 VanDerWaalsContact O-CB 3.32Å; S295-A299 WeakPolarHBondContact O-CB 3.24Å; S295-A299 PolarHBondContact O-N 2.78Å; R296-A299 PolarHBondContact O-N 3.44Å; R297-A299 VanDerWaalsContact C-N 3.33Å; R297-A299 PolarHBondContact O-N 3.32Å; A299-F301 VanDerWaalsContact C-N 3.28Å; A299-F301 PolarHBondContact O-N 2.83Å; A299-C302 PolarHBondContact O-N 2.69Å; A299-C302 VanDerWaalsContact O-N 3.15Å; A299-T303 PolarHBondContact O-N 2.81Å; A299-T303 PolarHBondContact O-OG1 3.34Å; A299-L367 HydrophobicContact CB-CD2 3.98Å; A299-I370 HydrophobicContact CB-CD1 4.31Å; A299-L378 HydrophobicContact CB-CD2 3.46Å; A299-L378 VanDerWaalsContact CB-CD2 3.46Å; A299-P394 HydrophobicContact CB-CB 3.6Å; A299-P394 HydrophobicContact CB-CG 4.05Å
300Y90Very high89Confident17 Ų1723.3 Ų23.37%0.06711%0.107CC..Hα-helixtrans-59.2-36.3174.9-81.4-64.5000112.7R296 R297 R304 K390 T391 P394 H397R296-Y300 HydrophobicContact CG-CD2 4.13Å; R296-Y300 HydrophobicContact CG-CE2 3.89Å; R296-Y300 PolarHBondContact NH2-OH 2.89Å; R296-Y300 VanDerWaalsContact O-CD2 3.27Å; R296-Y300 WeakPolarHBondContact O-CD2 3.38Å; R296-Y300 PolarHBondContact O-N 3.43Å; R297-Y300 PolarHBondContact O-N 3.23Å; Y300-R304 VanDerWaalsContact O-CB 3.3Å; Y300-R304 WeakPolarHBondContact O-CB 3.29Å; Y300-R304 WeakPolarHBondContact O-CD 3.22Å; Y300-R304 WeakPolarHBondContact O-CG 3.46Å; Y300-R304 PolarHBondContact O-N 3.35Å; Y300-K390 PolarHBondContact OH-O 3.22Å; Y300-K390 VanDerWaalsContact OH-O 3.1Å; Y300-T391 PolarHBondContact OH-O 2.94Å; Y300-T391 VanDerWaalsContact OH-O 3.13Å; Y300-P394 HydrophobicContact CD1-CB 4.03Å; Y300-P394 HydrophobicContact CD1-CG 4.41Å; Y300-P394 HydrophobicContact CD2-CB 4.31Å; Y300-P394 HydrophobicContact CD2-CG 3.98Å; Y300-P394 HydrophobicContact CE1-CB 4.21Å; Y300-P394 HydrophobicContact CE1-CG 4.29Å; Y300-P394 HydrophobicContact CE2-CB 4.48Å; Y300-P394 HydrophobicContact CE2-CG 3.84Å; Y300-P394 HydrophobicContact CG-CB 4.08Å; Y300-P394 HydrophobicContact CG-CG 4.26Å; Y300-H397 AromaticContact CE1-CE1 3.62Å; Y300-H397 AromaticContact CE1-ND1 3.95Å
301F90.6Very high87.9Confident18 Ų1824.5 Ų24.58%0.07912%0.116CC..Hα-helixtrans-63.9-49.3173.4173.2-96.4000111.3F263 L274 R297 L298 A299 R305 L363F263-F301 HydrophobicContact CB-CD1 4.42Å; F263-F301 HydrophobicContact CB-CD2 4.41Å; F263-F301 HydrophobicContact CB-CE1 3.94Å; F263-F301 HydrophobicContact CB-CE2 3.92Å; F263-F301 HydrophobicContact CB-CZ 3.68Å; F263-F301 HydrophobicContact CD1-CE1 4.39Å; F263-F301 HydrophobicContact CD1-CZ 4.29Å; F263-F301 HydrophobicContact CG-CE1 4.45Å; F263-F301 HydrophobicContact CG-CZ 4.42Å; F263-F301 VanDerWaalsContact O-CE2 3.23Å; F263-F301 WeakPolarHBondContact O-CE2 3.47Å; L274-F301 HydrophobicContact CD1-CE1 4.37Å; L274-F301 HydrophobicContact CD1-CZ 3.9Å; R297-F301 PolarHBondContact O-N 2.83Å; L298-F301 HydrophobicContact CD1-CD1 4.48Å; L298-F301 PolarHBondContact O-N 2.64Å; A299-F301 VanDerWaalsContact C-N 3.28Å; A299-F301 PolarHBondContact O-N 2.83Å; F301-R305 HydrophobicContact CD2-CG 4.28Å; F301-R305 HydrophobicContact CE1-CG 4.23Å; F301-R305 HydrophobicContact CE2-CG 3.8Å; F301-R305 HydrophobicContact CZ-CG 3.76Å; F301-R305 VanDerWaalsContact O-CB 3.31Å; F301-R305 WeakPolarHBondContact O-CB 3.45Å; F301-R305 WeakPolarHBondContact O-CG 3.27Å; F301-R305 PolarHBondContact O-N 2.82Å; F301-L363 HydrophobicContact CD1-CD2 4.47Å; F301-L363 HydrophobicContact CE1-CD2 4.01Å
302C92.1Very high86.2Confident0 Ų026.8 Ų26.80%014%0.14CC..Hα-helixtrans-65.5-45.8-178.4-69.80000112.9L298 A299 R305 L306 L363 L367L298-C302 PolarHBondContact O-N 2.86Å; L298-C302 PolarHBondContact O-SG 3.46Å; L298-C302 VanDerWaalsContact O-SG 3.33Å; A299-C302 PolarHBondContact O-N 2.69Å; A299-C302 VanDerWaalsContact O-N 3.15Å; C302-R305 PolarHBondContact O-N 2.88Å; C302-L306 WeakPolarHBondContact O-CB 3.34Å; C302-L306 WeakPolarHBondContact O-CG 3.33Å; C302-L306 PolarHBondContact O-N 3.26Å; C302-L363 HydrophobicContact CB-CB 4.43Å; C302-L363 HydrophobicContact CB-CD2 4.38Å; C302-L367 HydrophobicContact CB-CD1 3.83Å; C302-L367 HydrophobicContact CB-CD2 3.8Å; C302-L367 HydrophobicContact CB-CG 3.59Å
303T91.2Very high84.3Confident0 Ų029.9 Ų29.90%016%0.158CC..Hα-helixtrans-65.6-46.6-178.854.40000111.6A299 R305 L306 A307 L367 P394 L398A299-T303 PolarHBondContact O-N 2.81Å; A299-T303 PolarHBondContact O-OG1 3.34Å; T303-R305 PolarHBondContact O-N 3.49Å; T303-L306 PolarHBondContact O-N 2.8Å; T303-A307 PolarHBondContact O-N 3.41Å; T303-L367 HydrophobicContact CG2-CD1 3.79Å; T303-L367 HydrophobicContact CG2-CD2 3.79Å; T303-L367 HydrophobicContact CG2-CG 4.48Å; T303-P394 WeakPolarHBondContact CB-O 3.29Å; T303-P394 VanDerWaalsContact CG2-O 3.25Å; T303-P394 WeakPolarHBondContact CG2-O 3.24Å; T303-P394 PolarHBondContact OG1-O 3.35Å; T303-L398 HydrophobicContact CG2-CB 3.87Å; T303-L398 HydrophobicContact CG2-CD1 4.22Å; T303-L398 HydrophobicContact CG2-CD2 4.36Å; T303-L398 HydrophobicContact CG2-CG 4.38Å
304R88Confident82.1Confident78 Ų7834 Ų3429%0.29418%0.184SC..Hα-helixtrans-61.6-39.2175.6-67.6173.8-173.1172.74.7112.9Y300 L308 I389 H397Y300-R304 VanDerWaalsContact O-CB 3.3Å; Y300-R304 WeakPolarHBondContact O-CB 3.29Å; Y300-R304 WeakPolarHBondContact O-CD 3.22Å; Y300-R304 WeakPolarHBondContact O-CG 3.46Å; Y300-R304 PolarHBondContact O-N 3.35Å; R304-L308 WeakPolarHBondContact O-CB 3.37Å; R304-L308 VanDerWaalsContact O-CG 3.27Å; R304-L308 WeakPolarHBondContact O-CG 3.36Å; R304-L308 PolarHBondContact O-N 2.84Å; R304-I389 VanDerWaalsContact NH1-CG2 3.29Å; R304-I389 PolarHBondContact NH2-O 3.07Å; R304-H397 HydrophobicContact CG-CB 4.23Å; R304-H397 PolarHBondContact NE-CD2 2.91Å; R304-H397 PolarHBondContact NE-NE2 3.47Å; R304-H397 PolarHBondContact NH2-NE2 3.13Å
305R87.9Confident79.4Confident18 Ų1838.5 Ų38.57%0.06822%0.215CC..Hα-helixtrans-69.4-34.1176.5-82.5-65.9-167.2150.3-2.3113.1I266 R267 D271 F301 C302 T303 Q309 L363I266-R305 VanDerWaalsContact C-NH2 3.34Å; I266-R305 PolarHBondContact O-NH2 3.39Å; R267-R305 PolarHBondContact O-NH2 3.19Å; D271-R305 IonicContact OD1-NH1 2.63Å; D271-R305 PolarHBondContact OD1-NH1 3.04Å; F301-R305 HydrophobicContact CD2-CG 4.28Å; F301-R305 HydrophobicContact CE1-CG 4.23Å; F301-R305 HydrophobicContact CE2-CG 3.8Å; F301-R305 HydrophobicContact CZ-CG 3.76Å; F301-R305 VanDerWaalsContact O-CB 3.31Å; F301-R305 WeakPolarHBondContact O-CB 3.45Å; F301-R305 WeakPolarHBondContact O-CG 3.27Å; F301-R305 PolarHBondContact O-N 2.82Å; C302-R305 PolarHBondContact O-N 2.88Å; T303-R305 PolarHBondContact O-N 3.49Å; R305-Q309 WeakPolarHBondContact O-CG 3.42Å; R305-Q309 PolarHBondContact O-N 3.4Å; R305-L363 HydrophobicContact CB-CD1 3.87Å
306L88.8Confident76.5Confident0 Ų047.5 Ų47.50%026%0.256CS..Hα-helixtrans-71.5-41.4174.3-74.3168.7000112C302 T303 Q309 L310 F347 V360 L363 L367 L398 L405C302-L306 WeakPolarHBondContact O-CB 3.34Å; C302-L306 WeakPolarHBondContact O-CG 3.33Å; C302-L306 PolarHBondContact O-N 3.26Å; T303-L306 PolarHBondContact O-N 2.8Å; L306-Q309 PolarHBondContact O-N 2.8Å; L306-L310 PolarHBondContact O-N 3.06Å; L306-F347 HydrophobicContact CB-CE1 4.38Å; L306-F347 HydrophobicContact CB-CZ 4.09Å; L306-F347 HydrophobicContact CD2-CE1 3.78Å; L306-F347 HydrophobicContact CD2-CZ 4Å; L306-V360 HydrophobicContact CD2-CG1 4.44Å; L306-L363 HydrophobicContact CD1-CB 4.08Å; L306-L363 HydrophobicContact CD2-CB 4.09Å; L306-L363 HydrophobicContact CD2-CD1 4.27Å; L306-L363 HydrophobicContact CG-CB 4.02Å; L306-L363 HydrophobicContact CG-CD1 4.22Å; L306-L367 HydrophobicContact CD1-CD1 3.61Å; L306-L398 HydrophobicContact CB-CD1 4.02Å; L306-L398 HydrophobicContact CD1-CD1 4.11Å; L306-L405 HydrophobicContact CD1-CD2 4.02Å
307A85.9Confident73.4Confident18 Ų1851.5 Ų51.515%0.14929%0.287CS..Hα-helixtrans-61.2-50.1174.800000112T303 Q309 L310 D311 H397T303-A307 PolarHBondContact O-N 3.41Å; A307-Q309 PolarHBondContact O-N 2.89Å; A307-Q309 VanDerWaalsContact O-N 3.13Å; A307-L310 WeakPolarHBondContact O-CB 3.49Å; A307-L310 PolarHBondContact O-N 2.96Å; A307-D311 PolarHBondContact O-N 3.5Å; A307-H397 WeakPolarHBondContact CB-O 3.46Å
308L83.7Confident70.5Confident94 Ų9455 Ų5549%0.49232%0.319SS..Hα-helixtrans-58.8-27.1176.8-74170.1000113.8R304 G312R304-L308 WeakPolarHBondContact O-CB 3.37Å; R304-L308 VanDerWaalsContact O-CG 3.27Å; R304-L308 WeakPolarHBondContact O-CG 3.36Å; R304-L308 PolarHBondContact O-N 2.84Å; L308-G312 PolarHBondContact O-N 3.09Å
309Q77.4Confident67.5Low15 Ų1563.4 Ų63.47%0.0736%0.358CS..Hα-helixtrans-76.5-25.5175-79-178.9-14.800112.9R305 L306 A307 L350R305-Q309 WeakPolarHBondContact O-CG 3.42Å; R305-Q309 PolarHBondContact O-N 3.4Å; L306-Q309 PolarHBondContact O-N 2.8Å; A307-Q309 PolarHBondContact O-N 2.89Å; A307-Q309 VanDerWaalsContact O-N 3.13Å; Q309-L350 HydrophobicContact CB-CD1 4.14Å; Q309-L350 WeakPolarHBondContact O-CD1 3.37Å
310L75.2Confident64.5Low25 Ų2569.7 Ų69.713%0.13140%0.396CS..Hα-helixtrans-78.8-49.1173.9-65.8173.1000111.2L306 A307 G312 V313 P346 F347 L350 P399L306-L310 PolarHBondContact O-N 3.06Å; A307-L310 WeakPolarHBondContact O-CB 3.49Å; A307-L310 PolarHBondContact O-N 2.96Å; L310-G312 PolarHBondContact O-N 2.94Å; L310-V313 PolarHBondContact O-N 3.14Å; L310-P346 HydrophobicContact CD2-CB 3.95Å; L310-P346 WeakPolarHBondContact CD2-O 3.28Å; L310-F347 HydrophobicContact CD1-CE1 4.09Å; L310-F347 HydrophobicContact CD1-CE2 4.01Å; L310-F347 HydrophobicContact CD1-CZ 3.61Å; L310-F347 HydrophobicContact CD2-CD1 3.81Å; L310-F347 HydrophobicContact CD2-CD2 4.42Å; L310-F347 HydrophobicContact CD2-CE1 3.71Å; L310-F347 HydrophobicContact CD2-CE2 4.34Å; L310-F347 HydrophobicContact CD2-CG 4.16Å; L310-F347 HydrophobicContact CD2-CZ 3.99Å; L310-F347 HydrophobicContact CG-CD1 4.39Å; L310-F347 HydrophobicContact CG-CE1 3.78Å; L310-F347 HydrophobicContact CG-CZ 3.85Å; L310-L350 HydrophobicContact CD2-CD1 3.99Å; L310-P399 HydrophobicContact CD1-CG 3.47Å; L310-P399 VanDerWaalsContact CD1-CG 3.47Å
311D69.4Low61.7Low109 Ų10976.7 Ų76.758%0.58343%0.433SS*.Hα-helixtrans-57.8-35.7178.6-62.8-31.4000112.2A307 V313 N314A307-D311 PolarHBondContact O-N 3.5Å; D311-V313 PolarHBondContact O-N 3.41Å; D311-N314 PolarHBondContact O-N 3.03Å
312G56.1Low58.8Low50 Ų5081.1 Ų81.152%0.51547%0.466SS..G310 helixtrans-62.7-21.4-178.900000115.1L308 L310L308-G312 PolarHBondContact O-N 3.09Å; L310-G312 PolarHBondContact O-N 2.94Å
313V50.4Low55.8Low71 Ų7185.8 Ų85.843%0.4351%0.505SS..G310 helixtrans-74.3-31.6-179.1-175.90000111.8L310 D311 S315 L350L310-V313 PolarHBondContact O-N 3.14Å; D311-V313 PolarHBondContact O-N 3.41Å; V313-S315 VanDerWaalsContact C-N 3.31Å; V313-S315 PolarHBondContact O-N 2.96Å; V313-L350 HydrophobicContact CG2-CD2 4.3Å; V313-L350 HydrophobicContact CG2-CG 4.41Å
314N43.3Very low52.9Low137 Ų13795.3 Ų95.373%0.73355%0.549SS*.G310 helixtrans-81.5-1.8-173.8-77.41.8000114.8D311 H316D311-N314 PolarHBondContact O-N 3.03Å; N314-H316 PolarHBondContact O-N 3.42Å; N314-H316 VanDerWaalsContact O-N 3.09Å
315S35.2Very low50Low94 Ų9497 Ų9766%0.65757%0.573SS**THydrogen-bonded Turntrans-77.611-172.4-66.80000115.7V313V313-S315 VanDerWaalsContact C-N 3.31Å; V313-S315 PolarHBondContact O-N 2.96Å
316H32.7Very low47Very low189 Ų189102.9 Ų102.988%0.87561%0.611SS**THydrogen-bonded Turntrans-131.443.1-177.5-74.7-16.5000114N314N314-H316 PolarHBondContact O-N 3.42Å; N314-H316 VanDerWaalsContact O-N 3.09Å
317S27.7Very low44.1Very low100 Ų100108.6 Ų108.670%0.69965%0.651SS**SBendtrans-149.5147.2161.5-167.50000113.2
318S28.6Very low41.3Very low122 Ų122113.2 Ų113.285%0.85368%0.682SS**  trans62.5150.6173.570.70000118.6
319H30.6Very low38.6Very low177 Ų177116.2 Ų116.282%0.81970%0.698SS**  trans-136.9137.1-175.4-122-82.7000107.2
320V29.3Very low36.4Very low131 Ų131121.6 Ų121.679%0.79473%0.734SS**  trans70.5133.2160177.80000113.5
321I32Very low34.3Very low165 Ų165126.3 Ų126.385%0.84676%0.764SS**  cis-124.3163.929.5-62.5172.3000112.3
322S30.3Very low32.3Very low110 Ų110127.7 Ų127.777%0.76978%0.776SS**  trans-89.7142.3177.4163.80000114
323A28.3Very low31.2Very low99 Ų99131 Ų13182%0.81879%0.789SS**  trans-142.1154.1157.200000111.9
324Q29.4Very low30.4Very low199 Ų199131 Ų13193%0.9380%0.796SS**  trans-73.4174-160.2-68.6163.4-23.900117
325S28.1Very low30Very low113 Ų113129.3 Ų129.379%0.7979%0.793SS**  trans-94.1127.1-177.855.30000114.4
326T25.3Very low29.8Very low143 Ų143132.2 Ų132.288%0.87780%0.796SS**  trans-140.2159158.240.20000111.1
327S28.3Very low29.8Very low120 Ų120128.7 Ų128.784%0.83979%0.79SS**  trans-71.1141.7-168.649.70000116.6
328S26.7Very low30.4Very low115 Ų115129.6 Ų129.680%0.80479%0.793SS**  trans-154.8160.1151.356.70000110.9
329L27.1Very low30.5Very low156 Ų156130.3 Ų130.382%0.81779%0.793SS**PPolyproline II helixtrans-90.2154.1175.4-77.579.6000110.6T331L329-T331 PolarHBondContact O-N 2.81Å
330P31.3Very low30.5Very low128 Ų128127.3 Ų127.383%0.83179%0.791SS**PPolyproline II helixtrans-72.4122.5173.330-33.4000111.2
331T29.5Very low30.6Very low125 Ų125128.4 Ų128.477%0.76779%0.793SS**PPolyproline II helixtrans-81143.7174.248.60000112.1L329L329-T331 PolarHBondContact O-N 2.81Å
332T28.7Very low30.8Very low137 Ų137127 Ų12784%0.8479%0.793SS**PPolyproline II helixtrans-67.2136.1174.529.40000112.5
333P32.4Very low31.4Very low121 Ų121127.3 Ų127.379%0.78679%0.792SS**  trans-95.311017433.4-30.4000112.4
334A34.7Very low32.6Very low69 Ų69127.4 Ų127.457%0.5779%0.787SS**  trans-85.6138.6164.100000110.2
335P34.5Very low34.2Very low102 Ų102121.2 Ų121.266%0.66276%0.762SS**  trans-107.4113.1-179.235.4-28.7000113.6
336Q29.9Very low36.2Very low156 Ų156119 Ų11973%0.72975%0.745SS**  trans-73143.9162.3-66.8-167.86.500111.8
337P33.9Very low38.7Very low114 Ų114112.3 Ų112.374%0.7470%0.704SS**  trans-129.7161.617142-30.2000114.1
338P40.6Very low41Very low120 Ų120108.6 Ų108.678%0.77968%0.678SS**  -141.1152.8-52.936.9-20.3000113.6
339T29.7Very low43.4Very low137 Ų137108.8 Ų108.884%0.8467%0.67SS**  trans-113.7107.6165.843.90000112.8N341T339-N341 PolarHBondContact O-N 3.49Å; T339-N341 VanDerWaalsContact O-N 3.08Å
340S31.3Very low45.8Very low113 Ų113102.1 Ų102.179%0.7964%0.635SS**SBendtrans16.174.5156.260.40000119.8
341N31.9Very low48.2Very low155 Ų15597.4 Ų97.483%0.82960%0.603SS**  trans-152.5134.3134.5-100.3-40.1000108.8T339 P343T339-N341 PolarHBondContact O-N 3.49Å; T339-N341 VanDerWaalsContact O-N 3.08Å; N341-P343 WeakPolarHBondContact O-CD 3.24Å
342T35.6Very low50.7Low136 Ų13698.8 Ų98.883%0.83460%0.602SS**  trans-74.7112.9178480000109.2S344T342-S344 PolarHBondContact O-N 3.36Å
343P41.5Very low53.2Low115 Ų11593.9 Ų93.975%0.74757%0.573SS**PPolyproline II helixtrans-62.4136.117227.9-34.1000108.5N341 T345N341-P343 WeakPolarHBondContact O-CD 3.24Å; P343-T345 PolarHBondContact O-N 3.38Å
344S53.5Low55.5Low102 Ų10293.2 Ų93.271%0.71357%0.569SS**PPolyproline II helixtrans-54.5124.3167.8370000108.1T342T342-S344 PolarHBondContact O-N 3.36Å
345T63.7Low57.6Low68 Ų6894.9 Ų94.942%0.41757%0.565SS.*PPolyproline II helixtrans-56.8131.8177.747.60000108.6P343 F347 S348P343-T345 PolarHBondContact O-N 3.38Å; T345-F347 PolarHBondContact O-N 2.97Å; T345-S348 WeakPolarHBondContact O-CB 3.48Å; T345-S348 PolarHBondContact O-N 2.69Å; T345-S348 PolarHBondContact O-OG 2.96Å; T345-S348 PolarHBondContact OG1-OG 2.94Å
346P69.7Low60.1Low68 Ų6892 Ų9244%0.44254%0.543SS..THydrogen-bonded Turntrans-63.9-13.2-173.224.1-34.1000113.1L310 I400L310-P346 HydrophobicContact CD2-CB 3.95Å; L310-P346 WeakPolarHBondContact CD2-O 3.28Å; P346-I400 HydrophobicContact CG-CD1 4.44Å; P346-I400 HydrophobicContact CG-CG2 3.72Å
347F78.7Confident62.9Low1 Ų189.3 Ų89.30%0.00453%0.526CS..THydrogen-bonded Turntrans-85.50.8171.4-66.6-78.4000115.2L306 L310 T345 D349 L350 L351 V360 I400 L405 P406L306-F347 HydrophobicContact CB-CE1 4.38Å; L306-F347 HydrophobicContact CB-CZ 4.09Å; L306-F347 HydrophobicContact CD2-CE1 3.78Å; L306-F347 HydrophobicContact CD2-CZ 4Å; L310-F347 HydrophobicContact CD1-CE1 4.09Å; L310-F347 HydrophobicContact CD1-CE2 4.01Å; L310-F347 HydrophobicContact CD1-CZ 3.61Å; L310-F347 HydrophobicContact CD2-CD1 3.81Å; L310-F347 HydrophobicContact CD2-CD2 4.42Å; L310-F347 HydrophobicContact CD2-CE1 3.71Å; L310-F347 HydrophobicContact CD2-CE2 4.34Å; L310-F347 HydrophobicContact CD2-CG 4.16Å; L310-F347 HydrophobicContact CD2-CZ 3.99Å; L310-F347 HydrophobicContact CG-CD1 4.39Å; L310-F347 HydrophobicContact CG-CE1 3.78Å; L310-F347 HydrophobicContact CG-CZ 3.85Å; T345-F347 PolarHBondContact O-N 2.97Å; F347-D349 PolarHBondContact O-N 3.43Å; F347-L350 HydrophobicContact CD1-CD1 3.74Å; F347-L350 HydrophobicContact CE1-CD1 4.27Å; F347-L350 CarbonylContact O-C 3.35Å; F347-L350 WeakPolarHBondContact O-CB 3.25Å; F347-L350 PolarHBondContact O-N 2.93Å; F347-L350 VanDerWaalsContact O-N 3.11Å; F347-L351 HydrophobicContact CB-CD1 4.06Å; F347-L351 HydrophobicContact CB-CG 4.12Å; F347-L351 WeakPolarHBondContact O-CB 3.18Å; F347-L351 VanDerWaalsContact O-CG 3.25Å; F347-L351 WeakPolarHBondContact O-CG 2.89Å; F347-L351 PolarHBondContact O-N 2.79Å; F347-V360 HydrophobicContact CB-CG1 4.12Å; F347-V360 HydrophobicContact CD1-CB 4.46Å; F347-V360 HydrophobicContact CD1-CG1 3.61Å; F347-V360 HydrophobicContact CD1-CG2 3.93Å; F347-V360 HydrophobicContact CE1-CG1 4.23Å; F347-V360 HydrophobicContact CE1-CG2 4.43Å; F347-V360 HydrophobicContact CG-CG1 3.89Å; F347-I400 HydrophobicContact CD2-CD1 4.07Å; F347-I400 HydrophobicContact CE2-CD1 3.74Å; F347-I400 HydrophobicContact CE2-CG1 4.26Å; F347-L405 HydrophobicContact CE2-CD2 3.96Å; F347-L405 HydrophobicContact CZ-CD2 4.39Å; F347-P406 HydrophobicContact CB-CG 4Å; F347-P406 HydrophobicContact CD2-CG 4.17Å; F347-P406 HydrophobicContact CG-CG 4.21Å
348S77Confident65.4Low42 Ų4286.5 Ų86.529%0.29451%0.508SS..Hα-helixtrans-52-49.5-171.8-73.80000113.5T345 L350 L351 M352T345-S348 WeakPolarHBondContact O-CB 3.48Å; T345-S348 PolarHBondContact O-N 2.69Å; T345-S348 PolarHBondContact O-OG 2.96Å; T345-S348 PolarHBondContact OG1-OG 2.94Å; S348-L350 PolarHBondContact O-N 3.28Å; S348-L351 PolarHBondContact O-N 3.47Å; S348-M352 WeakPolarHBondContact O-CG 3.24Å; S348-M352 PolarHBondContact O-N 2.87Å; S348-M352 VanDerWaalsContact O-N 3.08Å
349D75.8Confident67.8Low120 Ų12080.8 Ų80.864%0.64247%0.471SS*.Hα-helixtrans-69.1-36.9-179.1-56.9-46.2000112F347 L351 M352 C353F347-D349 PolarHBondContact O-N 3.43Å; D349-L351 VanDerWaalsContact C-N 3.31Å; D349-L351 PolarHBondContact O-N 3.25Å; D349-M352 PolarHBondContact O-N 2.85Å; D349-C353 PolarHBondContact O-N 3.02Å
350L78.8Confident70.6Confident15 Ų1574.3 Ų74.38%0.07943%0.431CS..Hα-helixtrans-67.3-30.7175-63.5165.6000112.5Q309 L310 V313 F347 S348 C353 H356 R357 V360Q309-L350 HydrophobicContact CB-CD1 4.14Å; Q309-L350 WeakPolarHBondContact O-CD1 3.37Å; L310-L350 HydrophobicContact CD2-CD1 3.99Å; V313-L350 HydrophobicContact CG2-CD2 4.3Å; V313-L350 HydrophobicContact CG2-CG 4.41Å; F347-L350 HydrophobicContact CD1-CD1 3.74Å; F347-L350 HydrophobicContact CE1-CD1 4.27Å; F347-L350 CarbonylContact O-C 3.35Å; F347-L350 WeakPolarHBondContact O-CB 3.25Å; F347-L350 PolarHBondContact O-N 2.93Å; F347-L350 VanDerWaalsContact O-N 3.11Å; S348-L350 PolarHBondContact O-N 3.28Å; L350-C353 PolarHBondContact O-N 3.35Å; L350-H356 HydrophobicContact CB-CB 4.26Å; L350-H356 HydrophobicContact CD2-CB 3.97Å; L350-H356 CarbonylContact O-C 3.58Å; L350-R357 PolarHBondContact O-N 3.22Å; L350-R357 VanDerWaalsContact O-N 3.09Å; L350-V360 HydrophobicContact CB-CG2 4.03Å
351L82Confident73.4Confident29 Ų2970.5 Ų70.515%0.15240%0.4CS..Hα-helixtrans-76.1-26.3174.2-70.4169.3000112.4F347 S348 D349 R357 V360 F361 P406F347-L351 HydrophobicContact CB-CD1 4.06Å; F347-L351 HydrophobicContact CB-CG 4.12Å; F347-L351 WeakPolarHBondContact O-CB 3.18Å; F347-L351 VanDerWaalsContact O-CG 3.25Å; F347-L351 WeakPolarHBondContact O-CG 2.89Å; F347-L351 PolarHBondContact O-N 2.79Å; S348-L351 PolarHBondContact O-N 3.47Å; D349-L351 VanDerWaalsContact C-N 3.31Å; D349-L351 PolarHBondContact O-N 3.25Å; L351-R357 WeakPolarHBondContact O-CB 3.42Å; L351-R357 VanDerWaalsContact O-CD 3.27Å; L351-R357 WeakPolarHBondContact O-CD 3.41Å; L351-R357 WeakPolarHBondContact O-CG 3.16Å; L351-V360 HydrophobicContact CD2-CB 4.37Å; L351-V360 HydrophobicContact CD2-CG1 3.97Å; L351-F361 HydrophobicContact CD2-CD2 4.11Å; L351-F361 HydrophobicContact CD2-CE1 4.09Å; L351-F361 HydrophobicContact CD2-CE2 3.61Å; L351-F361 HydrophobicContact CD2-CZ 3.61Å; L351-P406 HydrophobicContact CD1-CB 4.07Å; L351-P406 HydrophobicContact CD1-CG 3.84Å; L351-P406 HydrophobicContact CD2-CB 3.94Å; L351-P406 HydrophobicContact CD2-CG 4.17Å; L351-P406 HydrophobicContact CG-CG 4.4Å
352M81.9Confident76.2Confident154 Ų15463.3 Ų63.376%0.75936%0.363SS*.Hα-helixtrans-77.6-28.2170.2-66.7-58.8-70.500112.2S348 D349 P354S348-M352 WeakPolarHBondContact O-CG 3.24Å; S348-M352 PolarHBondContact O-N 2.87Å; S348-M352 VanDerWaalsContact O-N 3.08Å; D349-M352 PolarHBondContact O-N 2.85Å; M352-P354 WeakPolarHBondContact O-CD 3.26Å
353C81.3Confident78.9Confident34 Ų3456.9 Ų56.923%0.2332%0.323CS..SBendtrans-70.3120.1177.3-178.60000113D349 L350 Q355 H356 R357D349-C353 PolarHBondContact O-N 3.02Å; L350-C353 PolarHBondContact O-N 3.35Å; C353-Q355 PolarHBondContact O-N 2.65Å; C353-Q355 VanDerWaalsContact O-N 3.14Å; C353-Q355 PolarHBondContact SG-N 3.37Å; C353-H356 HydrophobicContact CB-CB 4.19Å; C353-H356 PolarHBondContact O-N 3.47Å; C353-H356 PolarHBondContact SG-ND1 3.09Å; C353-R357 WeakPolarHBondContact O-CB 3.44Å; C353-R357 PolarHBondContact O-N 2.81Å
354P80.3Confident81.3Confident107 Ų10751.4 Ų51.470%0.69529%0.288SS*.THydrogen-bonded Turntrans-67-13.2177.9-2234.9000115.2M352M352-P354 WeakPolarHBondContact O-CD 3.26Å
355Q78.9Confident83.1Confident104 Ų10448.1 Ų48.149%0.48627%0.265SS..THydrogen-bonded Turntrans-85.4-45174.1-60.4-176.1-86.300111.2E272 C353E272-Q355 WeakPolarHBondContact OE1-CG 3.46Å; E272-Q355 PolarHBondContact OE1-NE2 3.11Å; C353-Q355 PolarHBondContact O-N 2.65Å; C353-Q355 VanDerWaalsContact O-N 3.14Å; C353-Q355 PolarHBondContact SG-N 3.37Å
356H85.6Confident84.5Confident42 Ų4245 Ų4519%0.19425%0.245CC..THydrogen-bonded Turntrans-88.3-30.7-175.4-63.588.3000114.4D271 L350 C353 P358 L359 V360D271-H356 IonicContact OD2-CD2 3.75Å; D271-H356 IonicContact OD2-NE2 3.88Å; D271-H356 PolarHBondContact OD2-NE2 2.83Å; L350-H356 HydrophobicContact CB-CB 4.26Å; L350-H356 HydrophobicContact CD2-CB 3.97Å; L350-H356 CarbonylContact O-C 3.58Å; C353-H356 HydrophobicContact CB-CB 4.19Å; C353-H356 PolarHBondContact O-N 3.47Å; C353-H356 PolarHBondContact SG-ND1 3.09Å; H356-P358 VanDerWaalsContact C-CD 3.49Å; H356-L359 WeakPolarHBondContact O-CA 3.27Å; H356-L359 WeakPolarHBondContact O-CB 3.3Å; H356-L359 PolarHBondContact O-N 3Å; H356-V360 PolarHBondContact O-N 3.3Å
357R88.7Confident85.7Confident99 Ų9941.9 Ų41.937%0.37423%0.225SC..Hα-helixtrans-47.5-47179.4-178.8-174.8177.4142.22.2113.6L350 L351 C353 L359 F361 E409L350-R357 PolarHBondContact O-N 3.22Å; L350-R357 VanDerWaalsContact O-N 3.09Å; L351-R357 WeakPolarHBondContact O-CB 3.42Å; L351-R357 VanDerWaalsContact O-CD 3.27Å; L351-R357 WeakPolarHBondContact O-CD 3.41Å; L351-R357 WeakPolarHBondContact O-CG 3.16Å; C353-R357 WeakPolarHBondContact O-CB 3.44Å; C353-R357 PolarHBondContact O-N 2.81Å; R357-L359 PolarHBondContact O-N 2.77Å; R357-F361 HydrophobicContact CG-CD2 3.75Å; R357-F361 HydrophobicContact CG-CE2 3.63Å; R357-F361 VanDerWaalsContact O-CD2 3.26Å; R357-F361 WeakPolarHBondContact O-CD2 3.39Å; R357-F361 PolarHBondContact O-N 3.11Å; R357-F361 VanDerWaalsContact O-N 3.17Å; R357-E409 IonicContact NH2-OE2 2.72Å; R357-E409 PolarHBondContact NH2-OE2 2.71Å
358P87.6Confident86.3Confident56 Ų5642.3 Ų42.336%0.36423%0.227SC..Hα-helixtrans-66.4-35.4177.7-19.633.8000113.3L278 H356 G362L278-P358 VanDerWaalsContact CD2-O 3.25Å; L278-P358 WeakPolarHBondContact CD2-O 3.35Å; H356-P358 VanDerWaalsContact C-CD 3.49Å; P358-G362 PolarHBondContact O-N 2.96Å
359L89.3Confident87.1Confident0 Ų042.5 Ų42.50%023%0.226CC..Hα-helixtrans-66.7-50.9178.5-61.1-179.5000110.9D271 L274 K275 L278 H356 R357 F361 G362 L363D271-L359 HydrophobicContact CB-CD1 4.17Å; L274-L359 HydrophobicContact CB-CD2 4.4Å; L274-L359 HydrophobicContact CD2-CD1 4.28Å; L274-L359 HydrophobicContact CD2-CD2 4.19Å; L274-L359 HydrophobicContact CG-CD2 3.83Å; K275-L359 HydrophobicContact CB-CD2 3.83Å; K275-L359 HydrophobicContact CB-CG 4.42Å; L278-L359 HydrophobicContact CD2-CD2 4.13Å; H356-L359 WeakPolarHBondContact O-CA 3.27Å; H356-L359 WeakPolarHBondContact O-CB 3.3Å; H356-L359 PolarHBondContact O-N 3Å; R357-L359 PolarHBondContact O-N 2.77Å; L359-F361 PolarHBondContact O-N 2.68Å; L359-G362 PolarHBondContact O-N 2.78Å; L359-L363 WeakPolarHBondContact O-CB 3.35Å; L359-L363 WeakPolarHBondContact O-CG 3.41Å; L359-L363 PolarHBondContact O-N 2.84Å
360V89.9Confident88Confident0 Ų036.9 Ų36.90%020%0.196CC..Hα-helixtrans-58.5-49.8179.6175.90000110.7L306 F347 L350 L351 H356 S364 P406L306-V360 HydrophobicContact CD2-CG1 4.44Å; F347-V360 HydrophobicContact CB-CG1 4.12Å; F347-V360 HydrophobicContact CD1-CB 4.46Å; F347-V360 HydrophobicContact CD1-CG1 3.61Å; F347-V360 HydrophobicContact CD1-CG2 3.93Å; F347-V360 HydrophobicContact CE1-CG1 4.23Å; F347-V360 HydrophobicContact CE1-CG2 4.43Å; F347-V360 HydrophobicContact CG-CG1 3.89Å; L350-V360 HydrophobicContact CB-CG2 4.03Å; L351-V360 HydrophobicContact CD2-CB 4.37Å; L351-V360 HydrophobicContact CD2-CG1 3.97Å; H356-V360 PolarHBondContact O-N 3.3Å; V360-S364 WeakPolarHBondContact O-CB 3.5Å; V360-S364 PolarHBondContact O-N 3.37Å; V360-S364 PolarHBondContact O-OG 2.87Å; V360-P406 HydrophobicContact CG1-CB 4.36Å; V360-P406 HydrophobicContact CG1-CG 3.84Å
361F90.2Very high88.8Confident33 Ų3336.1 Ų36.115%0.14519%0.192CC..Hα-helixtrans-63.9-42.6177-79.4-56.5000112.7L351 R357 L359 S364 C365 P406 M407 P408L351-F361 HydrophobicContact CD2-CD2 4.11Å; L351-F361 HydrophobicContact CD2-CE1 4.09Å; L351-F361 HydrophobicContact CD2-CE2 3.61Å; L351-F361 HydrophobicContact CD2-CZ 3.61Å; R357-F361 HydrophobicContact CG-CD2 3.75Å; R357-F361 HydrophobicContact CG-CE2 3.63Å; R357-F361 VanDerWaalsContact O-CD2 3.26Å; R357-F361 WeakPolarHBondContact O-CD2 3.39Å; R357-F361 PolarHBondContact O-N 3.11Å; R357-F361 VanDerWaalsContact O-N 3.17Å; L359-F361 PolarHBondContact O-N 2.68Å; F361-S364 PolarHBondContact O-N 3.45Å; F361-C365 WeakPolarHBondContact O-CB 3.38Å; F361-C365 PolarHBondContact O-N 3.35Å; F361-C365 PolarHBondContact O-SG 3.02Å; F361-P406 HydrophobicContact CD1-CB 3.91Å; F361-P406 HydrophobicContact CE1-CB 3.59Å; F361-P406 HydrophobicContact CZ-CB 4.4Å; F361-M407 VanDerWaalsContact CE1-O 3.26Å; F361-M407 WeakPolarHBondContact CE1-O 3.47Å; F361-P408 HydrophobicContact CD1-CG 4.5Å
362G90.5Very high89.3Confident5 Ų537.8 Ų37.85%0.05220%0.201CC..Hα-helixtrans-63.1-50-17900000113P358 L359 S364 C365 I366P358-G362 PolarHBondContact O-N 2.96Å; L359-G362 PolarHBondContact O-N 2.78Å; G362-S364 VanDerWaalsContact C-N 3.34Å; G362-S364 PolarHBondContact O-N 3.39Å; G362-C365 PolarHBondContact O-N 3.09Å; G362-I366 WeakPolarHBondContact O-CD1 3.43Å; G362-I366 VanDerWaalsContact O-CG1 3.27Å; G362-I366 WeakPolarHBondContact O-CG1 3.25Å; G362-I366 PolarHBondContact O-N 3.36Å
363L92.5Very high89.8Confident0 Ų033 Ų330%018%0.182CC..Hα-helixtrans-65.7-37.4178.1-62174.7000111.6F301 C302 R305 L306 L359 I366 L367F301-L363 HydrophobicContact CD1-CD2 4.47Å; F301-L363 HydrophobicContact CE1-CD2 4.01Å; C302-L363 HydrophobicContact CB-CB 4.43Å; C302-L363 HydrophobicContact CB-CD2 4.38Å; R305-L363 HydrophobicContact CB-CD1 3.87Å; L306-L363 HydrophobicContact CD1-CB 4.08Å; L306-L363 HydrophobicContact CD2-CB 4.09Å; L306-L363 HydrophobicContact CD2-CD1 4.27Å; L306-L363 HydrophobicContact CG-CB 4.02Å; L306-L363 HydrophobicContact CG-CD1 4.22Å; L359-L363 WeakPolarHBondContact O-CB 3.35Å; L359-L363 WeakPolarHBondContact O-CG 3.41Å; L359-L363 PolarHBondContact O-N 2.84Å; L363-I366 PolarHBondContact O-N 3.03Å; L363-L367 PolarHBondContact O-N 3.44Å
364S91.8Very high90.4Very high0 Ų031.4 Ų31.40%017%0.171CC..Hα-helixtrans-62.7-48.6175-61.60000112.1V360 F361 G362 I366 L367 Q368 P406V360-S364 WeakPolarHBondContact O-CB 3.5Å; V360-S364 PolarHBondContact O-N 3.37Å; V360-S364 PolarHBondContact O-OG 2.87Å; F361-S364 PolarHBondContact O-N 3.45Å; G362-S364 VanDerWaalsContact C-N 3.34Å; G362-S364 PolarHBondContact O-N 3.39Å; S364-I366 VanDerWaalsContact C-N 3.28Å; S364-I366 PolarHBondContact O-N 3.37Å; S364-L367 PolarHBondContact O-N 3.01Å; S364-Q368 WeakPolarHBondContact O-CB 3.41Å; S364-Q368 VanDerWaalsContact O-CG 3.29Å; S364-Q368 WeakPolarHBondContact O-CG 3.43Å; S364-Q368 PolarHBondContact O-N 2.95Å; S364-Q368 PolarHBondContact O-OE1 3.09Å; S364-P406 VanDerWaalsContact CB-O 3.3Å; S364-P406 WeakPolarHBondContact CB-O 3.27Å
365C91.6Very high91Very high34 Ų3427.2 Ų27.223%0.2314%0.144CC..Hα-helixtrans-62.4-35.6178-68.20000111.9F361 G362 T369F361-C365 WeakPolarHBondContact O-CB 3.38Å; F361-C365 PolarHBondContact O-N 3.35Å; F361-C365 PolarHBondContact O-SG 3.02Å; G362-C365 PolarHBondContact O-N 3.09Å; C365-T369 VanDerWaalsContact O-CB 3.3Å; C365-T369 WeakPolarHBondContact O-CB 3.45Å; C365-T369 PolarHBondContact O-N 3.25Å; C365-T369 PolarHBondContact O-OG1 3.39Å
366I93.4Very high91.6Very high3 Ų322.4 Ų22.42%0.01512%0.122CC..Hα-helixtrans-64.2-49.1174.8-71.1161.7000110.7L278 L281 L282 L298 G362 L363 S364 Q368 T369 I370L278-I366 HydrophobicContact CD1-CD1 4.37Å; L281-I366 HydrophobicContact CB-CD1 4.39Å; L281-I366 HydrophobicContact CD2-CD1 3.7Å; L281-I366 HydrophobicContact CG-CD1 3.76Å; L282-I366 HydrophobicContact CD2-CD1 3.98Å; L282-I366 HydrophobicContact CD2-CG1 3.84Å; L282-I366 HydrophobicContact CG-CD1 4.49Å; L298-I366 HydrophobicContact CD1-CG2 4.03Å; L298-I366 HydrophobicContact CD2-CG2 3.73Å; L298-I366 HydrophobicContact CG-CG2 3.74Å; G362-I366 WeakPolarHBondContact O-CD1 3.43Å; G362-I366 VanDerWaalsContact O-CG1 3.27Å; G362-I366 WeakPolarHBondContact O-CG1 3.25Å; G362-I366 PolarHBondContact O-N 3.36Å; L363-I366 PolarHBondContact O-N 3.03Å; S364-I366 VanDerWaalsContact C-N 3.28Å; S364-I366 PolarHBondContact O-N 3.37Å; I366-Q368 PolarHBondContact O-N 3.33Å; I366-T369 PolarHBondContact O-N 3.12Å; I366-I370 HydrophobicContact CG2-CD1 3.83Å; I366-I370 WeakPolarHBondContact O-CG1 3.43Å; I366-I370 PolarHBondContact O-N 3.13Å
367L93.1Very high91.9Very high2 Ų220.4 Ų20.41%0.0111%0.113CC..Hα-helixtrans-61.1-44177.8-76170.4000112.4A299 C302 T303 L306 L363 S364 T369 I370 L371 L405A299-L367 HydrophobicContact CB-CD2 3.98Å; C302-L367 HydrophobicContact CB-CD1 3.83Å; C302-L367 HydrophobicContact CB-CD2 3.8Å; C302-L367 HydrophobicContact CB-CG 3.59Å; T303-L367 HydrophobicContact CG2-CD1 3.79Å; T303-L367 HydrophobicContact CG2-CD2 3.79Å; T303-L367 HydrophobicContact CG2-CG 4.48Å; L306-L367 HydrophobicContact CD1-CD1 3.61Å; L363-L367 PolarHBondContact O-N 3.44Å; S364-L367 PolarHBondContact O-N 3.01Å; L367-T369 VanDerWaalsContact C-N 3.33Å; L367-T369 PolarHBondContact O-N 2.95Å; L367-I370 PolarHBondContact O-N 3.46Å; L367-L371 WeakPolarHBondContact O-CB 3.46Å; L367-L371 PolarHBondContact O-N 3.19Å; L367-L405 HydrophobicContact CB-CD1 4.22Å; L367-L405 HydrophobicContact CD1-CD1 3.95Å
368Q92.5Very high92.1Very high9 Ų915.8 Ų15.84%0.04210%0.095CC..Hα-helixtrans-63.8-37.9176.8-70.1164.3-15.900111.7S364 I366 L371 L372 P402 L405 L422S364-Q368 WeakPolarHBondContact O-CB 3.41Å; S364-Q368 VanDerWaalsContact O-CG 3.29Å; S364-Q368 WeakPolarHBondContact O-CG 3.43Å; S364-Q368 PolarHBondContact O-N 2.95Å; S364-Q368 PolarHBondContact O-OE1 3.09Å; I366-Q368 PolarHBondContact O-N 3.33Å; Q368-L371 PolarHBondContact O-N 3.42Å; Q368-L372 VanDerWaalsContact O-CG 3.29Å; Q368-L372 WeakPolarHBondContact O-CG 3.45Å; Q368-L372 PolarHBondContact O-N 2.63Å; Q368-P402 PolarHBondContact NE2-O 2.93Å; Q368-L405 PolarHBondContact NE2-O 2.93Å; Q368-L422 HydrophobicContact CB-CD1 4.28Å; Q368-L422 HydrophobicContact CB-CD2 3.95Å; Q368-L422 HydrophobicContact CG-CD1 3.85Å; Q368-L422 HydrophobicContact CG-CD2 4.08Å
369T93.9Very high92.3Very high46 Ų4613.1 Ų13.128%0.2828%0.078SC..Hα-helixtrans-66.3-40.6174.3-57.40000111.8V289 C365 I366 L367 C373V289-T369 HydrophobicContact CG1-CG2 4.16Å; C365-T369 VanDerWaalsContact O-CB 3.3Å; C365-T369 WeakPolarHBondContact O-CB 3.45Å; C365-T369 PolarHBondContact O-N 3.25Å; C365-T369 PolarHBondContact O-OG1 3.39Å; I366-T369 PolarHBondContact O-N 3.12Å; L367-T369 VanDerWaalsContact C-N 3.33Å; L367-T369 PolarHBondContact O-N 2.95Å; T369-C373 VanDerWaalsContact O-CB 3.3Å; T369-C373 WeakPolarHBondContact O-CB 3.18Å; T369-C373 PolarHBondContact O-N 3.14Å
370I95Very high92.3Very high2 Ų215.5 Ų15.51%0.019%0.087CC..Hα-helixtrans-64.3-44.2175.2-67.5162.1000110.5V289 L298 A299 I366 L367 C373 C374 A377 L378V289-I370 HydrophobicContact CG1-CG1 4.1Å; L298-I370 HydrophobicContact CB-CD1 4.25Å; L298-I370 HydrophobicContact CD2-CD1 4.1Å; L298-I370 HydrophobicContact CG-CD1 3.92Å; A299-I370 HydrophobicContact CB-CD1 4.31Å; I366-I370 HydrophobicContact CG2-CD1 3.83Å; I366-I370 WeakPolarHBondContact O-CG1 3.43Å; I366-I370 PolarHBondContact O-N 3.13Å; L367-I370 PolarHBondContact O-N 3.46Å; I370-C373 PolarHBondContact O-N 3.03Å; I370-C374 CarbonylContact O-C 3.58Å; I370-C374 VanDerWaalsContact O-CA 3.29Å; I370-C374 WeakPolarHBondContact O-CA 3.39Å; I370-C374 PolarHBondContact O-N 3.3Å; I370-A377 HydrophobicContact CG2-CB 4.26Å; I370-L378 HydrophobicContact CG2-CD1 4.11Å; I370-L378 HydrophobicContact CG2-CD2 4.01Å; I370-L378 HydrophobicContact CG2-CG 3.99Å
371L93.8Very high92Very high0 Ų015.9 Ų15.90%09%0.089CC..Hα-helixtrans-62.5-45.4179.8-166.8131.6000111.9L367 Q368 L378 L395 P402 L422 I425 E426 I429L367-L371 WeakPolarHBondContact O-CB 3.46Å; L367-L371 PolarHBondContact O-N 3.19Å; Q368-L371 PolarHBondContact O-N 3.42Å; L371-L378 HydrophobicContact CB-CD1 3.78Å; L371-L378 HydrophobicContact CD1-CD1 3.84Å; L371-L378 HydrophobicContact CG-CD1 4.04Å; L371-L395 HydrophobicContact CD1-CD1 4.4Å; L371-P402 HydrophobicContact CD1-CB 3.98Å; L371-P402 HydrophobicContact CD1-CG 4.18Å; L371-L422 HydrophobicContact CB-CD2 4.36Å; L371-L422 HydrophobicContact CD2-CB 4.34Å; L371-L422 HydrophobicContact CD2-CD2 3.62Å; L371-L422 WeakPolarHBondContact CD2-O 3.22Å; L371-I425 HydrophobicContact CD2-CB 3.86Å; L371-I425 HydrophobicContact CD2-CG2 3.91Å; L371-I425 HydrophobicContact CG-CG2 4.17Å; L371-I425 WeakPolarHBondContact O-CG2 3.48Å; L371-E426 HydrophobicContact CD1-CB 4.46Å; L371-I429 HydrophobicContact CD1-CD1 3.71Å; L371-I429 HydrophobicContact CG-CD1 3.73Å
372L92.7Very high91.3Very high64 Ų6415.9 Ų15.934%0.3359%0.088SC..Hα-helixtrans-68.2-40.2178.4-67.2169.9000113.6Q368 V418 K421 L422 I425Q368-L372 VanDerWaalsContact O-CG 3.29Å; Q368-L372 WeakPolarHBondContact O-CG 3.45Å; Q368-L372 PolarHBondContact O-N 2.63Å; L372-V418 HydrophobicContact CD1-CG1 4.41Å; L372-K421 HydrophobicContact CD2-CB 4.23Å; L372-K421 HydrophobicContact CD2-CG 4.07Å; L372-L422 HydrophobicContact CD1-CD2 4.2Å; L372-L422 HydrophobicContact CD2-CD2 3.93Å; L372-L422 HydrophobicContact CD2-CG 4.27Å; L372-L422 HydrophobicContact CG-CD2 3.75Å; L372-L422 HydrophobicContact CG-CG 4.49Å; L372-I425 HydrophobicContact CD2-CD1 4.2Å
373C93.7Very high90.3Very high54 Ų5416.9 Ų16.937%0.3659%0.094SC..Hα-helixtrans-99.1-31.2-169.6-63.60000114.1V289 T369 I370 K1635 Q1638V289-C373 HydrophobicContact CB-CB 3.79Å; V289-C373 HydrophobicContact CG1-CB 4.02Å; V289-C373 HydrophobicContact CG2-CB 3.9Å; T369-C373 VanDerWaalsContact O-CB 3.3Å; T369-C373 WeakPolarHBondContact O-CB 3.18Å; T369-C373 PolarHBondContact O-N 3.14Å; I370-C373 PolarHBondContact O-N 3.03Å; C373-K1635 PolarHBondContact O-NZ 3.05Å; C373-Q1638 PolarHBondContact O-NE2 3.36Å
374C93.8Very high88.8Confident0 Ų021.1 Ų21.10%012%0.116CC..  trans-137.554.2-170.2-163.90000112.6V289 A292 I370 S376 A377 Q1638V289-C374 HydrophobicContact CB-CB 4.18Å; V289-C374 HydrophobicContact CG1-CB 4.38Å; A292-C374 VanDerWaalsContact CA-SG 3.57Å; I370-C374 CarbonylContact O-C 3.58Å; I370-C374 VanDerWaalsContact O-CA 3.29Å; I370-C374 WeakPolarHBondContact O-CA 3.39Å; I370-C374 PolarHBondContact O-N 3.3Å; C374-S376 VanDerWaalsContact C-N 3.26Å; C374-S376 PolarHBondContact O-N 3.48Å; C374-A377 VanDerWaalsContact O-CB 3.3Å; C374-A377 WeakPolarHBondContact O-CB 3.37Å; C374-A377 PolarHBondContact O-N 3.37Å; C374-Q1638 PolarHBondContact SG-NE2 3.33Å; C374-Q1638 VanDerWaalsContact SG-NE2 3.41Å
375P92.5Very high87Confident18 Ų1824.8 Ų24.812%0.11714%0.139CC..G310 helixtrans-59.2-32.1-174.522.8-34.1000113.8A377 L378 V379 I425 I429P375-A377 PolarHBondContact O-N 2.9Å; P375-A377 VanDerWaalsContact O-N 3.09Å; P375-L378 WeakPolarHBondContact O-CA 3.19Å; P375-L378 WeakPolarHBondContact O-CB 3.14Å; P375-L378 PolarHBondContact O-N 3.02Å; P375-V379 PolarHBondContact O-N 3.13Å; P375-I425 HydrophobicContact CB-CG2 3.77Å; P375-I425 HydrophobicContact CG-CG2 4.37Å; P375-I429 HydrophobicContact CB-CD1 3.86Å; P375-I429 HydrophobicContact CB-CG1 3.94Å
376S91Very high84.9Confident4 Ų429 Ų293%0.02816%0.159CC..G310 helixtrans-63.6-12.5176.4-46.30000114.3C374 L378 R432C374-S376 VanDerWaalsContact C-N 3.26Å; C374-S376 PolarHBondContact O-N 3.48Å; S376-L378 VanDerWaalsContact C-N 3.3Å; S376-R432 PolarHBondContact OG-NH2 3.41Å
377A91.7Very high82.7Confident0 Ų030.5 Ų30.50%017%0.17CC..G310 helixtrans-71.8-27.1168.600000112.6A292 R296 I370 C374 P375A292-A377 HydrophobicContact CB-CB 4.36Å; A292-A377 WeakPolarHBondContact O-CB 3.48Å; R296-A377 HydrophobicContact CB-CB 4.13Å; R296-A377 WeakPolarHBondContact CB-O 3.23Å; R296-A377 VanDerWaalsContact CG-O 3.3Å; R296-A377 WeakPolarHBondContact CG-O 3.37Å; R296-A377 PolarHBondContact NH1-O 2.89Å; I370-A377 HydrophobicContact CG2-CB 4.26Å; C374-A377 VanDerWaalsContact O-CB 3.3Å; C374-A377 WeakPolarHBondContact O-CB 3.37Å; C374-A377 PolarHBondContact O-N 3.37Å; P375-A377 PolarHBondContact O-N 2.9Å; P375-A377 VanDerWaalsContact O-N 3.09Å
378L93.7Very high80.5Confident1 Ų140.4 Ų40.41%0.00521%0.207CC..THydrogen-bonded Turntrans-101.6-9.9-172-56.9179.3000113.7A299 I370 L371 P375 S376 S393 P394 L395 I429A299-L378 HydrophobicContact CB-CD2 3.46Å; A299-L378 VanDerWaalsContact CB-CD2 3.46Å; I370-L378 HydrophobicContact CG2-CD1 4.11Å; I370-L378 HydrophobicContact CG2-CD2 4.01Å; I370-L378 HydrophobicContact CG2-CG 3.99Å; L371-L378 HydrophobicContact CB-CD1 3.78Å; L371-L378 HydrophobicContact CD1-CD1 3.84Å; L371-L378 HydrophobicContact CG-CD1 4.04Å; P375-L378 WeakPolarHBondContact O-CA 3.19Å; P375-L378 WeakPolarHBondContact O-CB 3.14Å; P375-L378 PolarHBondContact O-N 3.02Å; S376-L378 VanDerWaalsContact C-N 3.3Å; L378-S393 WeakPolarHBondContact O-CB 3.42Å; L378-S393 PolarHBondContact O-OG 2.89Å; L378-P394 HydrophobicContact CD2-CB 4.05Å; L378-P394 HydrophobicContact CD2-CG 4.07Å; L378-L395 HydrophobicContact CB-CD1 4.28Å; L378-L395 HydrophobicContact CB-CG 4.36Å; L378-L395 HydrophobicContact CD1-CD1 4.42Å; L378-L395 HydrophobicContact CD1-CD2 4.27Å; L378-L395 HydrophobicContact CD2-CD2 4.21Å; L378-L395 HydrophobicContact CD2-CG 4.45Å; L378-I429 HydrophobicContact CB-CD1 4.03Å; L378-I429 HydrophobicContact CB-CG2 4.14Å; L378-I429 HydrophobicContact CD1-CD1 4.04Å; L378-I429 WeakPolarHBondContact O-CG2 3.5Å
379V92.1Very high78.5Confident0 Ų045.2 Ų45.20%023%0.232CC..SBendtrans-60.1145.9171.8177.60000109.9R296 P375 R432 V436R296-V379 PolarHBondContact NH1-O 2.85Å; P375-V379 PolarHBondContact O-N 3.13Å; V379-R432 HydrophobicContact CG1-CB 4.11Å; V379-R432 HydrophobicContact CG2-CB 4.07Å; V379-V436 HydrophobicContact CG1-CG2 3.72Å
380W89.8Confident76.7Confident51 Ų5146.9 Ų46.919%0.19324%0.235CC..  trans-63138.3177.7-168107.8000110.4Y382 G392 V436 E437W380-Y382 AromaticContact CZ3-CD1 3.73Å; W380-Y382 HydrophobicContact CZ3-CD1 3.73Å; W380-Y382 HydrophobicContact CZ3-CG 4.17Å; W380-G392 WeakPolarHBondContact CA-O 3.41Å; W380-V436 HydrophobicContact CE3-CB 4.21Å; W380-V436 HydrophobicContact CE3-CG1 3.99Å; W380-V436 HydrophobicContact CZ3-CG1 4.38Å; W380-V436 WeakPolarHBondContact O-CB 3.45Å; W380-V436 VanDerWaalsContact O-CG1 3.31Å; W380-V436 WeakPolarHBondContact O-CG1 3.12Å; W380-E437 HydrophobicContact CD2-CB 4.17Å; W380-E437 HydrophobicContact CE3-CB 4.01Å; W380-E437 HydrophobicContact CH2-CB 4.06Å; W380-E437 HydrophobicContact CH2-CG 3.82Å; W380-E437 HydrophobicContact CZ2-CB 4.21Å; W380-E437 HydrophobicContact CZ2-CG 3.78Å; W380-E437 VanDerWaalsContact CZ2-OE1 3.3Å; W380-E437 WeakPolarHBondContact CZ2-OE1 3.35Å; W380-E437 HydrophobicContact CZ3-CB 3.93Å; W380-E437 HydrophobicContact CZ3-CG 4.23Å
381H83Confident75.4Confident8 Ų849.1 Ų49.14%0.03725%0.249CC..BIsolated β-bridgetrans-136.3145.4175.1-62.7151.9000110.9R296 T391 G392 S1588 V1589 N1592R296-H381 PolarHBondContact NH1-ND1 2.99Å; H381-T391 CarbonylContact O-C 3.55Å; H381-T391 WeakPolarHBondContact O-CA 3.5Å; H381-G392 PolarHBondContact N-O 3.46Å; H381-G392 PolarHBondContact O-N 3.38Å; H381-S1588 PolarHBondContact CE1-OG 3.12Å; H381-S1588 PolarHBondContact NE2-OG 3.18Å; H381-V1589 HydrophobicContact CB-CG2 4.45Å; H381-V1589 WeakPolarHBondContact CD2-CG2 2.98Å; H381-N1592 PolarHBondContact CE1-ND2 2.83Å
382Y76Confident74.9Confident32 Ų3249.5 Ų49.513%0.12525%0.253CS..  trans-106.5166.1169.464.6-80.3000112.4W380 V436 R439 F1545 V1589W380-Y382 AromaticContact CZ3-CD1 3.73Å; W380-Y382 HydrophobicContact CZ3-CD1 3.73Å; W380-Y382 HydrophobicContact CZ3-CG 4.17Å; Y382-V436 HydrophobicContact CD1-CG1 3.98Å; Y382-V436 HydrophobicContact CE1-CG1 4.04Å; Y382-R439 HydrophobicContact CE1-CG 4.22Å; Y382-F1545 WeakPolarHBondContact OH-CB 3.2Å; Y382-F1545 VanDerWaalsContact OH-CD1 3.31Å; Y382-F1545 WeakPolarHBondContact OH-CD1 3.39Å; Y382-V1589 HydrophobicContact CD1-CG1 4.49Å; Y382-V1589 HydrophobicContact CE1-CG1 4.18Å
383S67.7Low74.7Confident26 Ų2646.7 Ų46.718%0.18224%0.239CC..  trans-143.9141.3170.5-179.30000109.3T385 A1596S383-T385 PolarHBondContact O-N 3.26Å; S383-T385 PolarHBondContact OG-N 3.26Å; S383-T385 PolarHBondContact OG-OG1 2.91Å; S383-T385 VanDerWaalsContact OG-OG1 3.08Å; S383-A1596 VanDerWaalsContact OG-CB 3.24Å; S383-A1596 WeakPolarHBondContact OG-CB 3.44Å
384L62.6Low74.5Confident89 Ų8944.1 Ų44.147%0.46622%0.222SC..SBendtrans-70-15.2174.5-67.4173.2000113.4D1546 Q1549 R1550L384-D1546 HydrophobicContact CD1-CB 4.27Å; L384-D1546 HydrophobicContact CD2-CB 3.96Å; L384-Q1549 HydrophobicContact CD1-CB 3.64Å; L384-R1550 HydrophobicContact CD1-CG 4.36Å
385T54.4Low74.3Confident77 Ų7745.5 Ų45.547%0.47223%0.229SC..SBendtrans-97.7107.5173.154.70000109.6S383 S387S383-T385 PolarHBondContact O-N 3.26Å; S383-T385 PolarHBondContact OG-N 3.26Å; S383-T385 PolarHBondContact OG-OG1 2.91Å; S383-T385 VanDerWaalsContact OG-OG1 3.08Å; T385-S387 VanDerWaalsContact C-N 3.32Å; T385-S387 PolarHBondContact O-N 3.25Å; T385-S387 PolarHBondContact O-OG 2.94Å
386D46.3Very low74.1Confident123 Ų12349.6 Ų49.666%0.65825%0.25SC*.  trans-63.584.5-174.3-18027.5000112.9R388D386-R388 VanDerWaalsContact OD1-CG 3.29Å; D386-R388 WeakPolarHBondContact OD1-CG 3.32Å; D386-R388 IonicContact OD2-NE 2.88Å
387S47.7Very low73.8Confident34 Ų3452.6 Ų52.624%0.23826%0.263CS..  trans-111.389.416953.70000108.3T385 I389 K390T385-S387 VanDerWaalsContact C-N 3.32Å; T385-S387 PolarHBondContact O-N 3.25Å; T385-S387 PolarHBondContact O-OG 2.94Å; S387-I389 PolarHBondContact O-N 3.35Å; S387-K390 PolarHBondContact O-N 3.39Å; S387-K390 VanDerWaalsContact O-N 3.08Å
388R46.6Very low73.5Confident211 Ų21153.4 Ų53.480%0.79627%0.267SS*.THydrogen-bonded Turntrans-53.615.4-177.9-67.5-174.8-112.4165.3-2.9117.4D386D386-R388 VanDerWaalsContact OD1-CG 3.29Å; D386-R388 WeakPolarHBondContact OD1-CG 3.32Å; D386-R388 IonicContact OD2-NE 2.88Å
389I50.2Low72.8Confident110 Ų11057.4 Ų57.456%0.56429%0.293SS*.THydrogen-bonded Turntrans-124.9-8.5-174.9-54.2-178.7000111.3R304 S387R304-I389 VanDerWaalsContact NH1-CG2 3.29Å; R304-I389 PolarHBondContact NH2-O 3.07Å; S387-I389 PolarHBondContact O-N 3.35Å
390K56.5Low72.5Confident80 Ų8059.1 Ų59.135%0.34830%0.302SS..THydrogen-bonded Turntrans-129.4-15.6-175-68.4-179.8-176.8173.40115.9Y300 S387 A1596 D1598Y300-K390 PolarHBondContact OH-O 3.22Å; Y300-K390 VanDerWaalsContact OH-O 3.1Å; S387-K390 PolarHBondContact O-N 3.39Å; S387-K390 VanDerWaalsContact O-N 3.08Å; K390-A1596 PolarHBondContact NZ-O 3.08Å; K390-D1598 PolarHBondContact NZ-O 2.95Å
391T68.6Low72.3Confident49 Ų4958.1 Ų58.130%0.30131%0.305SS..SBendtrans-68.5163.9166.940.60000110.9Y300 H381Y300-T391 PolarHBondContact OH-O 2.94Å; Y300-T391 VanDerWaalsContact OH-O 3.13Å; H381-T391 CarbonylContact O-C 3.55Å; H381-T391 WeakPolarHBondContact O-CA 3.5Å
392G81.7Confident72.5Confident8 Ų858 Ų588%0.08231%0.305CS..BIsolated β-bridgetrans84-159.5-179.200000114R296 W380 H381 D396R296-G392 PolarHBondContact NH2-O 2.96Å; W380-G392 WeakPolarHBondContact CA-O 3.41Å; H381-G392 PolarHBondContact N-O 3.46Å; H381-G392 PolarHBondContact O-N 3.38Å; G392-D396 WeakPolarHBondContact CA-OD2 3.48Å
393S89.4Confident73Confident6 Ų656.7 Ų56.74%0.04230%0.3CS..  trans-99.9152.1164.9178.20000111L378 L395 D396L378-S393 WeakPolarHBondContact O-CB 3.42Å; L378-S393 PolarHBondContact O-OG 2.89Å; S393-L395 PolarHBondContact O-N 2.68Å; S393-L395 WeakPolarHBondContact OG-CB 3.08Å; S393-L395 PolarHBondContact OG-N 2.97Å; S393-D396 WeakPolarHBondContact CB-OD1 3.38Å; S393-D396 PolarHBondContact N-OD2 3.44Å; S393-D396 PolarHBondContact O-N 2.76Å
394P88.9Confident74Confident0 Ų059.1 Ų59.10%031%0.311CS..G310 helixtrans-56.4-24.4162.1-23.834.5000114R296 A299 Y300 T303 L378R296-P394 HydrophobicContact CG-CG 3.85Å; A299-P394 HydrophobicContact CB-CB 3.6Å; A299-P394 HydrophobicContact CB-CG 4.05Å; Y300-P394 HydrophobicContact CD1-CB 4.03Å; Y300-P394 HydrophobicContact CD1-CG 4.41Å; Y300-P394 HydrophobicContact CD2-CB 4.31Å; Y300-P394 HydrophobicContact CD2-CG 3.98Å; Y300-P394 HydrophobicContact CE1-CB 4.21Å; Y300-P394 HydrophobicContact CE1-CG 4.29Å; Y300-P394 HydrophobicContact CE2-CB 4.48Å; Y300-P394 HydrophobicContact CE2-CG 3.84Å; Y300-P394 HydrophobicContact CG-CB 4.08Å; Y300-P394 HydrophobicContact CG-CG 4.26Å; T303-P394 WeakPolarHBondContact CB-O 3.29Å; T303-P394 VanDerWaalsContact CG2-O 3.25Å; T303-P394 WeakPolarHBondContact CG2-O 3.24Å; T303-P394 PolarHBondContact OG1-O 3.35Å; L378-P394 HydrophobicContact CD2-CB 4.05Å; L378-P394 HydrophobicContact CD2-CG 4.07Å
395L90.4Very high75.2Confident28 Ų2854.9 Ų54.915%0.14729%0.289CS..G310 helixtrans-76.3-25.6-178.1-58.5-175.8000113.2L371 L378 S393 H397 L398 P402 I429L371-L395 HydrophobicContact CD1-CD1 4.4Å; L378-L395 HydrophobicContact CB-CD1 4.28Å; L378-L395 HydrophobicContact CB-CG 4.36Å; L378-L395 HydrophobicContact CD1-CD1 4.42Å; L378-L395 HydrophobicContact CD1-CD2 4.27Å; L378-L395 HydrophobicContact CD2-CD2 4.21Å; L378-L395 HydrophobicContact CD2-CG 4.45Å; S393-L395 PolarHBondContact O-N 2.68Å; S393-L395 WeakPolarHBondContact OG-CB 3.08Å; S393-L395 PolarHBondContact OG-N 2.97Å; L395-H397 PolarHBondContact O-N 3.29Å; L395-L398 WeakPolarHBondContact O-CB 3.43Å; L395-L398 PolarHBondContact O-N 2.9Å; L395-P402 HydrophobicContact CD1-CG 4.13Å; L395-P402 HydrophobicContact CD2-CG 3.73Å; L395-P402 HydrophobicContact CG-CG 4.48Å; L395-I429 HydrophobicContact CD1-CG2 4.07Å
396D87.8Confident76.8Confident104 Ų10451.7 Ų51.756%0.55627%0.27SS*.G310 helixtrans-60-17.6178.4-51.1-17000112.9G392 S393G392-D396 WeakPolarHBondContact CA-OD2 3.48Å; S393-D396 WeakPolarHBondContact CB-OD1 3.38Å; S393-D396 PolarHBondContact N-OD2 3.44Å; S393-D396 PolarHBondContact O-N 2.76Å
397H84.2Confident78.4Confident67 Ų6747.3 Ų47.331%0.3125%0.245SC..G310 helixtrans-92.85.9177.9-61.561.2000113Y300 R304 A307 L395Y300-H397 AromaticContact CE1-CE1 3.62Å; Y300-H397 AromaticContact CE1-ND1 3.95Å; R304-H397 HydrophobicContact CG-CB 4.23Å; R304-H397 PolarHBondContact NE-CD2 2.91Å; R304-H397 PolarHBondContact NE-NE2 3.47Å; R304-H397 PolarHBondContact NH2-NE2 3.13Å; A307-H397 WeakPolarHBondContact CB-O 3.46Å; L395-H397 PolarHBondContact O-N 3.29Å
398L85.7Confident79.7Confident17 Ų1749.2 Ų49.29%0.08926%0.257CS..  trans-113.9116-176.6-17071.4000110.1T303 L306 L395 I400 P402 L405T303-L398 HydrophobicContact CG2-CB 3.87Å; T303-L398 HydrophobicContact CG2-CD1 4.22Å; T303-L398 HydrophobicContact CG2-CD2 4.36Å; T303-L398 HydrophobicContact CG2-CG 4.38Å; L306-L398 HydrophobicContact CB-CD1 4.02Å; L306-L398 HydrophobicContact CD1-CD1 4.11Å; L395-L398 WeakPolarHBondContact O-CB 3.43Å; L395-L398 PolarHBondContact O-N 2.9Å; L398-I400 WeakPolarHBondContact CD2-O 3.45Å; L398-I400 WeakPolarHBondContact CG-O 3.41Å; L398-I400 PolarHBondContact O-N 3.49Å; L398-P402 HydrophobicContact CD2-CG 4.09Å; L398-L405 HydrophobicContact CD1-CD2 4.38Å; L398-L405 HydrophobicContact CD2-CD1 3.96Å; L398-L405 HydrophobicContact CD2-CD2 4.45Å; L398-L405 HydrophobicContact CD2-CG 4.31Å
399P78.4Confident80.6Confident85 Ų8547.2 Ų47.255%0.55226%0.257SS*.SBendtrans-74.93.8-173.830.4-36.7000114.8L310L310-P399 HydrophobicContact CD1-CG 3.47Å; L310-P399 VanDerWaalsContact CD1-CG 3.47Å
400I86.4Confident81.1Confident37 Ų3744.5 Ų44.519%0.1926%0.256CS..SBendtrans-138.7153.3170.564.3168.5000111.5P346 F347 L398 N404 L405P346-I400 HydrophobicContact CG-CD1 4.44Å; P346-I400 HydrophobicContact CG-CG2 3.72Å; F347-I400 HydrophobicContact CD2-CD1 4.07Å; F347-I400 HydrophobicContact CE2-CD1 3.74Å; F347-I400 HydrophobicContact CE2-CG1 4.26Å; L398-I400 WeakPolarHBondContact CD2-O 3.45Å; L398-I400 WeakPolarHBondContact CG-O 3.41Å; L398-I400 PolarHBondContact O-N 3.49Å; I400-N404 HydrophobicContact CD1-CB 4.42Å; I400-L405 HydrophobicContact CD1-CD2 4.11Å; I400-L405 HydrophobicContact CD1-CG 4.48Å; I400-L405 HydrophobicContact CG1-CD2 4.27Å
401A86.6Confident81.7Confident29 Ų2946.5 Ų46.524%0.2427%0.27CS..  trans-49.3132.2170.700000112.6S403 N404 L405 E426A401-S403 PolarHBondContact O-N 3.41Å; A401-S403 VanDerWaalsContact O-N 3.17Å; A401-N404 HydrophobicContact CB-CB 4.3Å; A401-N404 WeakPolarHBondContact O-CA 3.44Å; A401-N404 WeakPolarHBondContact O-CB 3.38Å; A401-N404 PolarHBondContact O-N 3.04Å; A401-L405 PolarHBondContact O-N 3.47Å; A401-E426 WeakPolarHBondContact CB-OE1 3.31Å
402P85.8Confident82Confident7 Ų748 Ų485%0.04528%0.283CS..G310 helixtrans-54.4-32.2175.4-30.236.4000114.7Q368 L371 L395 L398 N404 L405Q368-P402 PolarHBondContact NE2-O 2.93Å; L371-P402 HydrophobicContact CD1-CB 3.98Å; L371-P402 HydrophobicContact CD1-CG 4.18Å; L395-P402 HydrophobicContact CD1-CG 4.13Å; L395-P402 HydrophobicContact CD2-CG 3.73Å; L395-P402 HydrophobicContact CG-CG 4.48Å; L398-P402 HydrophobicContact CD2-CG 4.09Å; P402-N404 PolarHBondContact O-N 2.64Å; P402-L405 HydrophobicContact CB-CD1 4.5Å; P402-L405 WeakPolarHBondContact O-CB 3.38Å; P402-L405 PolarHBondContact O-N 3.46Å
403S88.2Confident82Confident4 Ų450.4 Ų50.43%0.02830%0.302CS..G310 helixtrans-68.7-16173.956.70000114.6A401 R419 R423 E426A401-S403 PolarHBondContact O-N 3.41Å; A401-S403 VanDerWaalsContact O-N 3.17Å; S403-R419 PolarHBondContact O-NH1 3.1Å; S403-R423 WeakPolarHBondContact OG-CG 3.45Å; S403-E426 WeakPolarHBondContact CB-OE2 3.31Å; S403-E426 PolarHBondContact N-OE2 2.91Å; S403-E426 PolarHBondContact OG-OE2 3.01Å
404N88Confident81.7Confident76 Ų7656.4 Ų56.441%0.40633%0.327SS..G310 helixtrans-95.9-12.3175.6-71.7-18.8000113.6I400 A401 P402 R419I400-N404 HydrophobicContact CD1-CB 4.42Å; A401-N404 HydrophobicContact CB-CB 4.3Å; A401-N404 WeakPolarHBondContact O-CA 3.44Å; A401-N404 WeakPolarHBondContact O-CB 3.38Å; A401-N404 PolarHBondContact O-N 3.04Å; P402-N404 PolarHBondContact O-N 2.64Å; N404-R419 PolarHBondContact O-NH1 3.06Å
405L88.1Confident81.5Confident0 Ų057.8 Ų57.80%034%0.336CS..SBendtrans-54.6149176.3-76.8169.4000113L306 F347 L367 Q368 L398 I400 A401 P402L306-L405 HydrophobicContact CD1-CD2 4.02Å; F347-L405 HydrophobicContact CE2-CD2 3.96Å; F347-L405 HydrophobicContact CZ-CD2 4.39Å; L367-L405 HydrophobicContact CB-CD1 4.22Å; L367-L405 HydrophobicContact CD1-CD1 3.95Å; Q368-L405 PolarHBondContact NE2-O 2.93Å; L398-L405 HydrophobicContact CD1-CD2 4.38Å; L398-L405 HydrophobicContact CD2-CD1 3.96Å; L398-L405 HydrophobicContact CD2-CD2 4.45Å; L398-L405 HydrophobicContact CD2-CG 4.31Å; I400-L405 HydrophobicContact CD1-CD2 4.11Å; I400-L405 HydrophobicContact CD1-CG 4.48Å; I400-L405 HydrophobicContact CG1-CD2 4.27Å; A401-L405 PolarHBondContact O-N 3.47Å; P402-L405 HydrophobicContact CB-CD1 4.5Å; P402-L405 WeakPolarHBondContact O-CB 3.38Å; P402-L405 PolarHBondContact O-N 3.46Å
406P86.5Confident81.2Confident11 Ų1162.7 Ų62.77%0.07136%0.358CS..  trans-59.9136.7179.5-2636.8000113.6F347 L351 V360 F361 S364F347-P406 HydrophobicContact CB-CG 4Å; F347-P406 HydrophobicContact CD2-CG 4.17Å; F347-P406 HydrophobicContact CG-CG 4.21Å; L351-P406 HydrophobicContact CD1-CB 4.07Å; L351-P406 HydrophobicContact CD1-CG 3.84Å; L351-P406 HydrophobicContact CD2-CB 3.94Å; L351-P406 HydrophobicContact CD2-CG 4.17Å; L351-P406 HydrophobicContact CG-CG 4.4Å; V360-P406 HydrophobicContact CG1-CB 4.36Å; V360-P406 HydrophobicContact CG1-CG 3.84Å; F361-P406 HydrophobicContact CD1-CB 3.91Å; F361-P406 HydrophobicContact CE1-CB 3.59Å; F361-P406 HydrophobicContact CZ-CB 4.4Å; S364-P406 VanDerWaalsContact CB-O 3.3Å; S364-P406 WeakPolarHBondContact CB-O 3.27Å
407M81.7Confident81.2Confident30 Ų3064.4 Ų64.415%0.14836%0.363CS..  trans-123148.3173.4-78.5-165-75.500111.5F361 T415 V418 R419 L422F361-M407 VanDerWaalsContact CE1-O 3.26Å; F361-M407 WeakPolarHBondContact CE1-O 3.47Å; M407-T415 HydrophobicContact CB-CG2 4.33Å; M407-T415 HydrophobicContact CE-CG2 3.71Å; M407-T415 HydrophobicContact SD-CG2 4.46Å; M407-V418 HydrophobicContact CE-CG1 4.39Å; M407-V418 HydrophobicContact SD-CG1 3.93Å; M407-R419 HydrophobicContact CE-CG 3.3Å; M407-L422 HydrophobicContact CE-CD1 4.47Å; M407-L422 HydrophobicContact SD-CD1 4.48Å
408P75Confident81.4Confident74 Ų7462.6 Ų62.648%0.48136%0.357SS..  trans-55.9144.3179.8-25.734.9000113.5F361 G410F361-P408 HydrophobicContact CD1-CG 4.5Å; P408-G410 PolarHBondContact O-N 3.19Å
409E64Low81.7Confident170 Ų17065.3 Ų65.379%0.79437%0.366SS*.SBendtrans-66.1115.4177.9-67.9165.4140.900110.2R357R357-E409 IonicContact NH2-OE2 2.72Å; R357-E409 PolarHBondContact NH2-OE2 2.71Å
410G61.8Low82.2Confident52 Ų5264.1 Ų64.154%0.53636%0.363SS..  trans-167.2176.9-174.400000110.9P408 S412P408-G410 PolarHBondContact O-N 3.19Å; G410-S412 PolarHBondContact O-N 3.08Å
411N68.8Low82.5Confident123 Ų12366.8 Ų66.866%0.65837%0.373SS*.  trans-43.3110.4-171.1-176.12.9000112.6A413 F414 T415N411-A413 VanDerWaalsContact C-N 3.3Å; N411-A413 PolarHBondContact O-N 2.96Å; N411-F414 PolarHBondContact O-N 3.45Å; N411-T415 PolarHBondContact O-N 3.28Å; N411-T415 VanDerWaalsContact O-N 3.12Å; N411-T415 PolarHBondContact O-OG1 2.99Å
412S73.9Confident82.9Confident80 Ų8065.4 Ų65.456%0.55936%0.361SS*.Hα-helixtrans-58.9-38.3-164.450.60000113.3G410 F414 T415 Q416G410-S412 PolarHBondContact O-N 3.08Å; S412-F414 PolarHBondContact O-N 2.7Å; S412-T415 PolarHBondContact O-N 2.9Å; S412-Q416 WeakPolarHBondContact O-CB 3.47Å; S412-Q416 VanDerWaalsContact O-CG 3.28Å; S412-Q416 WeakPolarHBondContact O-CG 3.41Å; S412-Q416 PolarHBondContact O-N 3.28Å
413A81.7Confident83.2Confident59 Ų5972 Ų7249%0.48839%0.385SS..Hα-helixtrans-63.2-40.8177.900000112.6N411 Q416 Q417N411-A413 VanDerWaalsContact C-N 3.3Å; N411-A413 PolarHBondContact O-N 2.96Å; A413-Q416 PolarHBondContact O-N 3.35Å; A413-Q417 WeakPolarHBondContact O-CB 3.43Å; A413-Q417 PolarHBondContact O-N 3.22Å
414F84.3Confident83.5Confident131 Ų13175.9 Ų75.958%0.57540%0.403SS*.Hα-helixtrans-67-44.9175175.4-101.9000110.9N411 S412 Q416 Q417 V418N411-F414 PolarHBondContact O-N 3.45Å; S412-F414 PolarHBondContact O-N 2.7Å; F414-Q416 VanDerWaalsContact C-N 3.27Å; F414-Q416 PolarHBondContact O-N 3.06Å; F414-Q417 PolarHBondContact O-N 3.32Å; F414-V418 HydrophobicContact CD1-CG2 4.34Å; F414-V418 HydrophobicContact CE1-CG2 3.89Å; F414-V418 HydrophobicContact CE2-CG2 4.09Å; F414-V418 HydrophobicContact CZ-CG2 3.75Å; F414-V418 WeakPolarHBondContact O-CG2 3.36Å; F414-V418 PolarHBondContact O-N 2.99Å
415T84Confident83.8Confident30 Ų3073.1 Ų73.118%0.18439%0.388CS..Hα-helixtrans-59.6-37.9176.5-52.80000111.9M407 N411 S412 R419M407-T415 HydrophobicContact CB-CG2 4.33Å; M407-T415 HydrophobicContact CE-CG2 3.71Å; M407-T415 HydrophobicContact SD-CG2 4.46Å; N411-T415 PolarHBondContact O-N 3.28Å; N411-T415 VanDerWaalsContact O-N 3.12Å; N411-T415 PolarHBondContact O-OG1 2.99Å; S412-T415 PolarHBondContact O-N 2.9Å; T415-R419 WeakPolarHBondContact O-CG 3.44Å; T415-R419 PolarHBondContact O-N 3.17Å
416Q85.3Confident84Confident131 Ų13174.1 Ų74.161%0.61239%0.393SS*.Hα-helixtrans-69.1-43.1173.9-75.3168.4-23.700112.4S412 A413 F414 V418 R419 A420S412-Q416 WeakPolarHBondContact O-CB 3.47Å; S412-Q416 VanDerWaalsContact O-CG 3.28Å; S412-Q416 WeakPolarHBondContact O-CG 3.41Å; S412-Q416 PolarHBondContact O-N 3.28Å; A413-Q416 PolarHBondContact O-N 3.35Å; F414-Q416 VanDerWaalsContact C-N 3.27Å; F414-Q416 PolarHBondContact O-N 3.06Å; Q416-V418 VanDerWaalsContact C-N 3.29Å; Q416-V418 PolarHBondContact O-N 3.33Å; Q416-R419 PolarHBondContact O-N 2.99Å; Q416-R419 VanDerWaalsContact O-N 3.17Å; Q416-A420 PolarHBondContact O-N 3.4Å
417Q87.8Confident84.2Confident139 Ų13978.1 Ų78.165%0.6541%0.411SS*.Hα-helixtrans-59.9-40.3174.7-170-178.526.500111.6A413 F414 A420 K421A413-Q417 WeakPolarHBondContact O-CB 3.43Å; A413-Q417 PolarHBondContact O-N 3.22Å; F414-Q417 PolarHBondContact O-N 3.32Å; Q417-A420 PolarHBondContact O-N 2.96Å; Q417-K421 PolarHBondContact O-N 3.22Å; Q417-K421 VanDerWaalsContact O-N 3.09Å
418V88.7Confident84.7Confident30 Ų3080 Ų8018%0.18242%0.419CS..Hα-helixtrans-64.8-44.8173.4173.50000111.1L372 M407 F414 Q416 A420 K421 L422L372-V418 HydrophobicContact CD1-CG1 4.41Å; M407-V418 HydrophobicContact CE-CG1 4.39Å; M407-V418 HydrophobicContact SD-CG1 3.93Å; F414-V418 HydrophobicContact CD1-CG2 4.34Å; F414-V418 HydrophobicContact CE1-CG2 3.89Å; F414-V418 HydrophobicContact CE2-CG2 4.09Å; F414-V418 HydrophobicContact CZ-CG2 3.75Å; F414-V418 WeakPolarHBondContact O-CG2 3.36Å; F414-V418 PolarHBondContact O-N 2.99Å; Q416-V418 VanDerWaalsContact C-N 3.29Å; Q416-V418 PolarHBondContact O-N 3.33Å; V418-A420 VanDerWaalsContact C-N 3.31Å; V418-A420 PolarHBondContact O-N 2.91Å; V418-K421 PolarHBondContact O-N 3.14Å; V418-L422 HydrophobicContact CG1-CD1 3.91Å; V418-L422 HydrophobicContact CG1-CG 4.24Å; V418-L422 WeakPolarHBondContact O-CB 3.45Å; V418-L422 VanDerWaalsContact O-CG 3.26Å; V418-L422 WeakPolarHBondContact O-CG 3.24Å; V418-L422 PolarHBondContact O-N 3.07Å
419R90.5Very high85.6Confident74 Ų7476.8 Ų76.828%0.27940%0.398SS..Hα-helixtrans-58.8-39.7173.7-72.1-162.8-166-106.58.9112.8S403 N404 M407 T415 Q416 L422 R423S403-R419 PolarHBondContact O-NH1 3.1Å; N404-R419 PolarHBondContact O-NH1 3.06Å; M407-R419 HydrophobicContact CE-CG 3.3Å; T415-R419 WeakPolarHBondContact O-CG 3.44Å; T415-R419 PolarHBondContact O-N 3.17Å; Q416-R419 PolarHBondContact O-N 2.99Å; Q416-R419 VanDerWaalsContact O-N 3.17Å; R419-L422 PolarHBondContact O-N 3.36Å; R419-R423 WeakPolarHBondContact O-CG 3.49Å; R419-R423 PolarHBondContact O-N 3.43Å
420A90.2Very high86.8Confident59 Ų5973.5 Ų73.549%0.48838%0.381SS..Hα-helixtrans-62.2-47.6177.300000111.5Q416 Q417 V418 L422 R423 E424Q416-A420 PolarHBondContact O-N 3.4Å; Q417-A420 PolarHBondContact O-N 2.96Å; V418-A420 VanDerWaalsContact C-N 3.31Å; V418-A420 PolarHBondContact O-N 2.91Å; A420-L422 VanDerWaalsContact C-N 3.35Å; A420-L422 PolarHBondContact O-N 3.08Å; A420-R423 PolarHBondContact O-N 3.34Å; A420-E424 PolarHBondContact O-N 2.88Å; A420-E424 VanDerWaalsContact O-N 3.08Å
421K92.5Very high88Confident93 Ų9375.8 Ų75.840%0.40438%0.378SS..Hα-helixtrans-67.7-33177.3-159.674.4-157.6170.90113L372 Q417 V418 E424 I425L372-K421 HydrophobicContact CD2-CB 4.23Å; L372-K421 HydrophobicContact CD2-CG 4.07Å; Q417-K421 PolarHBondContact O-N 3.22Å; Q417-K421 VanDerWaalsContact O-N 3.09Å; V418-K421 PolarHBondContact O-N 3.14Å; K421-E424 WeakPolarHBondContact CD-OE2 3.48Å; K421-E424 WeakPolarHBondContact CE-OE1 3.4Å; K421-E424 WeakPolarHBondContact CE-OE2 3.45Å; K421-E424 IonicContact NZ-OE1 3.06Å; K421-E424 PolarHBondContact NZ-OE1 3.31Å; K421-E424 IonicContact NZ-OE2 3.99Å; K421-E424 PolarHBondContact NZ-OE2 2.7Å; K421-I425 HydrophobicContact CG-CD1 4.27Å; K421-I425 WeakPolarHBondContact O-CG1 3.42Å; K421-I425 PolarHBondContact O-N 2.86Å
422L93.3Very high89.1Confident0 Ų071.2 Ų71.20%035%0.351CS..Hα-helixtrans-61.7-47171.3-72.9168.8000111.1Q368 L371 L372 M407 V418 R419 A420 I425 E426Q368-L422 HydrophobicContact CB-CD1 4.28Å; Q368-L422 HydrophobicContact CB-CD2 3.95Å; Q368-L422 HydrophobicContact CG-CD1 3.85Å; Q368-L422 HydrophobicContact CG-CD2 4.08Å; L371-L422 HydrophobicContact CB-CD2 4.36Å; L371-L422 HydrophobicContact CD2-CB 4.34Å; L371-L422 HydrophobicContact CD2-CD2 3.62Å; L371-L422 WeakPolarHBondContact CD2-O 3.22Å; L372-L422 HydrophobicContact CD1-CD2 4.2Å; L372-L422 HydrophobicContact CD2-CD2 3.93Å; L372-L422 HydrophobicContact CD2-CG 4.27Å; L372-L422 HydrophobicContact CG-CD2 3.75Å; L372-L422 HydrophobicContact CG-CG 4.49Å; M407-L422 HydrophobicContact CE-CD1 4.47Å; M407-L422 HydrophobicContact SD-CD1 4.48Å; V418-L422 HydrophobicContact CG1-CD1 3.91Å; V418-L422 HydrophobicContact CG1-CG 4.24Å; V418-L422 WeakPolarHBondContact O-CB 3.45Å; V418-L422 VanDerWaalsContact O-CG 3.26Å; V418-L422 WeakPolarHBondContact O-CG 3.24Å; V418-L422 PolarHBondContact O-N 3.07Å; R419-L422 PolarHBondContact O-N 3.36Å; A420-L422 VanDerWaalsContact C-N 3.35Å; A420-L422 PolarHBondContact O-N 3.08Å; L422-I425 PolarHBondContact O-N 3.46Å; L422-E426 WeakPolarHBondContact O-CB 3.37Å; L422-E426 PolarHBondContact O-N 3.2Å
423R93.4Very high89.9Confident146 Ų14667.7 Ų67.755%0.55133%0.327SS*.Hα-helixtrans-61.9-43.1177.8-72.3177.4-175.61750.2112.9S403 R419 A420 I425 E426 Q427S403-R423 WeakPolarHBondContact OG-CG 3.45Å; R419-R423 WeakPolarHBondContact O-CG 3.49Å; R419-R423 PolarHBondContact O-N 3.43Å; A420-R423 PolarHBondContact O-N 3.34Å; R423-I425 VanDerWaalsContact C-N 3.33Å; R423-I425 PolarHBondContact O-N 3.38Å; R423-E426 PolarHBondContact O-N 3.47Å; R423-Q427 PolarHBondContact O-N 3.02Å
424E93.8Very high90.1Very high86 Ų8669.8 Ų69.840%0.40233%0.327SS..Hα-helixtrans-57.7-46.2177.6-172.1-161.2129.300111.6A420 K421 Q428A420-E424 PolarHBondContact O-N 2.88Å; A420-E424 VanDerWaalsContact O-N 3.08Å; K421-E424 WeakPolarHBondContact CD-OE2 3.48Å; K421-E424 WeakPolarHBondContact CE-OE1 3.4Å; K421-E424 WeakPolarHBondContact CE-OE2 3.45Å; K421-E424 IonicContact NZ-OE1 3.06Å; K421-E424 PolarHBondContact NZ-OE1 3.31Å; K421-E424 IonicContact NZ-OE2 3.99Å; K421-E424 PolarHBondContact NZ-OE2 2.7Å; E424-Q428 WeakPolarHBondContact O-CG 3.42Å; E424-Q428 PolarHBondContact O-N 3.22Å; E424-Q428 VanDerWaalsContact O-N 3.15Å; E424-Q428 PolarHBondContact OE1-NE2 2.88Å
425I93.7Very high90.2Very high17 Ų1765.1 Ų65.19%0.08731%0.313CS..Hα-helixtrans-78.4-30.8-179.3-61.8173.5000111.5L371 L372 P375 K421 L422 R423 Q427 Q428 I429L371-I425 HydrophobicContact CD2-CB 3.86Å; L371-I425 HydrophobicContact CD2-CG2 3.91Å; L371-I425 HydrophobicContact CG-CG2 4.17Å; L371-I425 WeakPolarHBondContact O-CG2 3.48Å; L372-I425 HydrophobicContact CD2-CD1 4.2Å; P375-I425 HydrophobicContact CB-CG2 3.77Å; P375-I425 HydrophobicContact CG-CG2 4.37Å; K421-I425 HydrophobicContact CG-CD1 4.27Å; K421-I425 WeakPolarHBondContact O-CG1 3.42Å; K421-I425 PolarHBondContact O-N 2.86Å; L422-I425 PolarHBondContact O-N 3.46Å; R423-I425 VanDerWaalsContact C-N 3.33Å; R423-I425 PolarHBondContact O-N 3.38Å; I425-Q427 VanDerWaalsContact C-N 3.32Å; I425-Q427 PolarHBondContact O-N 3.49Å; I425-Q428 PolarHBondContact O-N 3.25Å; I425-I429 HydrophobicContact CG2-CD1 3.88Å; I425-I429 HydrophobicContact CG2-CG1 4.35Å; I425-I429 WeakPolarHBondContact O-CB 3.3Å; I425-I429 WeakPolarHBondContact O-CD1 3.49Å; I425-I429 VanDerWaalsContact O-CG1 3.24Å; I425-I429 WeakPolarHBondContact O-CG1 3.43Å; I425-I429 PolarHBondContact O-N 2.95Å
426E92.3Very high90.4Very high22 Ų2263.7 Ų63.710%0.10330%0.304CS..Hα-helixtrans-59.4-43.4171.6-171.8-176.1144.800110.9L371 A401 S403 L422 R423 I429 K430L371-E426 HydrophobicContact CD1-CB 4.46Å; A401-E426 WeakPolarHBondContact CB-OE1 3.31Å; S403-E426 WeakPolarHBondContact CB-OE2 3.31Å; S403-E426 PolarHBondContact N-OE2 2.91Å; S403-E426 PolarHBondContact OG-OE2 3.01Å; L422-E426 WeakPolarHBondContact O-CB 3.37Å; L422-E426 PolarHBondContact O-N 3.2Å; R423-E426 PolarHBondContact O-N 3.47Å; E426-I429 PolarHBondContact O-N 2.78Å; E426-K430 PolarHBondContact O-N 3.5Å; E426-K430 VanDerWaalsContact O-N 3.08Å
427Q92Very high90.2Very high95 Ų9562.6 Ų62.644%0.44430%0.299SS..Hα-helixtrans-65.3-46.7174.7-178.459.122.800112R423 I425 I429 K430 E431R423-Q427 PolarHBondContact O-N 3.02Å; I425-Q427 VanDerWaalsContact C-N 3.32Å; I425-Q427 PolarHBondContact O-N 3.49Å; Q427-I429 PolarHBondContact O-N 2.73Å; Q427-K430 WeakPolarHBondContact O-CB 3.24Å; Q427-K430 PolarHBondContact O-N 3.42Å; Q427-E431 VanDerWaalsContact CG-OE1 3.31Å; Q427-E431 WeakPolarHBondContact CG-OE1 3.42Å; Q427-E431 PolarHBondContact NE2-OE1 2.7Å; Q427-E431 WeakPolarHBondContact O-CG 3.23Å; Q427-E431 PolarHBondContact O-N 3.16Å
428Q91.8Very high89.8Confident70 Ų7058.5 Ų58.533%0.32728%0.283SS..Hα-helixtrans-59.1-33.8174.8-70.7167.112.200112.7E424 I425 R432E424-Q428 WeakPolarHBondContact O-CG 3.42Å; E424-Q428 PolarHBondContact O-N 3.22Å; E424-Q428 VanDerWaalsContact O-N 3.15Å; E424-Q428 PolarHBondContact OE1-NE2 2.88Å; I425-Q428 PolarHBondContact O-N 3.25Å; Q428-R432 VanDerWaalsContact O-CB 3.28Å; Q428-R432 WeakPolarHBondContact O-CB 3.46Å; Q428-R432 VanDerWaalsContact O-CD 3.28Å; Q428-R432 WeakPolarHBondContact O-CD 3.49Å; Q428-R432 WeakPolarHBondContact O-CG 3.3Å; Q428-R432 PolarHBondContact O-N 3.23Å
429I93.5Very high89.6Confident6 Ų660.6 Ų60.63%0.03129%0.288CS..Hα-helixtrans-70.4-37175.4-72.1161000111.2L371 P375 L378 L395 I425 E426 Q427 G433L371-I429 HydrophobicContact CD1-CD1 3.71Å; L371-I429 HydrophobicContact CG-CD1 3.73Å; P375-I429 HydrophobicContact CB-CD1 3.86Å; P375-I429 HydrophobicContact CB-CG1 3.94Å; L378-I429 HydrophobicContact CB-CD1 4.03Å; L378-I429 HydrophobicContact CB-CG2 4.14Å; L378-I429 HydrophobicContact CD1-CD1 4.04Å; L378-I429 WeakPolarHBondContact O-CG2 3.5Å; L395-I429 HydrophobicContact CD1-CG2 4.07Å; I425-I429 HydrophobicContact CG2-CD1 3.88Å; I425-I429 HydrophobicContact CG2-CG1 4.35Å; I425-I429 WeakPolarHBondContact O-CB 3.3Å; I425-I429 WeakPolarHBondContact O-CD1 3.49Å; I425-I429 VanDerWaalsContact O-CG1 3.24Å; I425-I429 WeakPolarHBondContact O-CG1 3.43Å; I425-I429 PolarHBondContact O-N 2.95Å; E426-I429 PolarHBondContact O-N 2.78Å; Q427-I429 PolarHBondContact O-N 2.73Å; I429-G433 WeakPolarHBondContact O-CA 3.42Å; I429-G433 PolarHBondContact O-N 2.95Å
430K89.4Confident89.2Confident100 Ų10057.5 Ų57.544%0.43528%0.276SS..Hα-helixtrans-64.4-52.1173.7-72.9-177.1177.7-173.20111.7E426 Q427 R432 G433 Q434E426-K430 PolarHBondContact O-N 3.5Å; E426-K430 VanDerWaalsContact O-N 3.08Å; Q427-K430 WeakPolarHBondContact O-CB 3.24Å; Q427-K430 PolarHBondContact O-N 3.42Å; K430-R432 PolarHBondContact O-N 3.35Å; K430-G433 WeakPolarHBondContact O-CA 3.42Å; K430-G433 PolarHBondContact O-N 3.23Å; K430-Q434 PolarHBondContact O-N 2.91Å
431E88.2Confident88Confident101 Ų10155.5 Ų55.547%0.47226%0.259SS..Hα-helixtrans-57.8-46.6179.7-70.1163.2-179.300111.5Q427 G433 A435Q427-E431 VanDerWaalsContact CG-OE1 3.31Å; Q427-E431 WeakPolarHBondContact CG-OE1 3.42Å; Q427-E431 PolarHBondContact NE2-OE1 2.7Å; Q427-E431 WeakPolarHBondContact O-CG 3.23Å; Q427-E431 PolarHBondContact O-N 3.16Å; E431-G433 VanDerWaalsContact C-N 3.35Å; E431-A435 WeakPolarHBondContact O-CB 3.46Å; E431-A435 PolarHBondContact O-N 3.39Å
432R91.8Very high86.2Confident27 Ų2754.3 Ų54.310%0.10225%0.254CS..Hα-helixtrans-65.6-37.4174-70.5164.762.7-168.5-1.4112S376 V379 Q428 K430 A435 V436 D1585S376-R432 PolarHBondContact OG-NH2 3.41Å; V379-R432 HydrophobicContact CG1-CB 4.11Å; V379-R432 HydrophobicContact CG2-CB 4.07Å; Q428-R432 VanDerWaalsContact O-CB 3.28Å; Q428-R432 WeakPolarHBondContact O-CB 3.46Å; Q428-R432 VanDerWaalsContact O-CD 3.28Å; Q428-R432 WeakPolarHBondContact O-CD 3.49Å; Q428-R432 WeakPolarHBondContact O-CG 3.3Å; Q428-R432 PolarHBondContact O-N 3.23Å; K430-R432 PolarHBondContact O-N 3.35Å; R432-A435 WeakPolarHBondContact O-CB 3.21Å; R432-A435 PolarHBondContact O-N 3.3Å; R432-V436 WeakPolarHBondContact O-CG2 3.4Å; R432-V436 PolarHBondContact O-N 3.38Å; R432-D1585 IonicContact CZ-OD1 3.76Å; R432-D1585 IonicContact CZ-OD2 3.76Å; R432-D1585 VanDerWaalsContact CZ-OD2 3.3Å; R432-D1585 IonicContact NE-OD1 3.38Å; R432-D1585 IonicContact NE-OD2 2.72Å; R432-D1585 PolarHBondContact NE-OD2 3.14Å; R432-D1585 VanDerWaalsContact NH2-CG 3.28Å; R432-D1585 IonicContact NH2-OD1 3.53Å; R432-D1585 PolarHBondContact NH2-OD1 2.87Å; R432-D1585 IonicContact NH2-OD2 2.66Å; R432-D1585 PolarHBondContact NH2-OD2 3.25Å
433G89.8Confident84.2Confident6 Ų656.7 Ų56.76%0.06227%0.266CS..Hα-helixtrans-61.6-52.4177.200000112.7I429 K430 E431 A435 V436 E437I429-G433 WeakPolarHBondContact O-CA 3.42Å; I429-G433 PolarHBondContact O-N 2.95Å; K430-G433 WeakPolarHBondContact O-CA 3.42Å; K430-G433 PolarHBondContact O-N 3.23Å; E431-G433 VanDerWaalsContact C-N 3.35Å; G433-A435 VanDerWaalsContact C-N 3.27Å; G433-A435 PolarHBondContact O-N 2.88Å; G433-V436 PolarHBondContact O-N 3.49Å; G433-E437 PolarHBondContact O-N 3Å
434Q85.4Confident81.9Confident103 Ų10354.7 Ų54.748%0.48126%0.261SS..Hα-helixtrans-56.6-42.3173.2-178.1180-6.900110.8K430 V436 E437 V438 E447K430-Q434 PolarHBondContact O-N 2.91Å; Q434-V436 PolarHBondContact O-N 3.41Å; Q434-E437 WeakPolarHBondContact O-CB 3.48Å; Q434-E437 PolarHBondContact O-N 3Å; Q434-E437 VanDerWaalsContact O-N 3.13Å; Q434-V438 PolarHBondContact O-N 3.02Å; Q434-E447 PolarHBondContact NE2-OE1 3.43Å
435A86Confident79.6Confident33 Ų3351.4 Ų51.427%0.27325%0.248SC..Hα-helixtrans-59.5-43.2174.100000112.4E431 R432 G433 E437 R439 W440E431-A435 WeakPolarHBondContact O-CB 3.46Å; E431-A435 PolarHBondContact O-N 3.39Å; R432-A435 WeakPolarHBondContact O-CB 3.21Å; R432-A435 PolarHBondContact O-N 3.3Å; G433-A435 VanDerWaalsContact C-N 3.27Å; G433-A435 PolarHBondContact O-N 2.88Å; A435-E437 VanDerWaalsContact C-N 3.32Å; A435-E437 PolarHBondContact O-N 3.04Å; A435-R439 PolarHBondContact O-N 3.42Å; A435-W440 WeakPolarHBondContact O-CA 3.41Å; A435-W440 PolarHBondContact O-N 3.26Å
436V88.3Confident77.3Confident0 Ų056.6 Ų56.60%027%0.272CS..Hα-helixtrans-66.5-33.4174.3-175.50000112.1V379 W380 Y382 R432 G433 Q434 R439 W440 D1585 V1589V379-V436 HydrophobicContact CG1-CG2 3.72Å; W380-V436 HydrophobicContact CE3-CB 4.21Å; W380-V436 HydrophobicContact CE3-CG1 3.99Å; W380-V436 HydrophobicContact CZ3-CG1 4.38Å; W380-V436 WeakPolarHBondContact O-CB 3.45Å; W380-V436 VanDerWaalsContact O-CG1 3.31Å; W380-V436 WeakPolarHBondContact O-CG1 3.12Å; Y382-V436 HydrophobicContact CD1-CG1 3.98Å; Y382-V436 HydrophobicContact CE1-CG1 4.04Å; R432-V436 WeakPolarHBondContact O-CG2 3.4Å; R432-V436 PolarHBondContact O-N 3.38Å; G433-V436 PolarHBondContact O-N 3.49Å; Q434-V436 PolarHBondContact O-N 3.41Å; V436-R439 VanDerWaalsContact O-CA 3.31Å; V436-R439 WeakPolarHBondContact O-CA 3.26Å; V436-R439 PolarHBondContact O-N 2.8Å; V436-W440 HydrophobicContact CB-CZ2 4.17Å; V436-W440 HydrophobicContact CG1-CH2 4.13Å; V436-W440 HydrophobicContact CG1-CZ2 3.9Å; V436-W440 HydrophobicContact CG2-CZ2 3.62Å; V436-D1585 HydrophobicContact CG2-CB 4.19Å; V436-V1589 HydrophobicContact CG1-CG2 3.77Å
437E82.7Confident75Confident108 Ų10860.6 Ų60.651%0.50529%0.291SS..Hα-helixtrans-66.5-45.8179.3-171.5158.2-142.300112.2W380 G433 Q434 A435 R439W380-E437 HydrophobicContact CD2-CB 4.17Å; W380-E437 HydrophobicContact CE3-CB 4.01Å; W380-E437 HydrophobicContact CH2-CB 4.06Å; W380-E437 HydrophobicContact CH2-CG 3.82Å; W380-E437 HydrophobicContact CZ2-CB 4.21Å; W380-E437 HydrophobicContact CZ2-CG 3.78Å; W380-E437 VanDerWaalsContact CZ2-OE1 3.3Å; W380-E437 WeakPolarHBondContact CZ2-OE1 3.35Å; W380-E437 HydrophobicContact CZ3-CB 3.93Å; W380-E437 HydrophobicContact CZ3-CG 4.23Å; G433-E437 PolarHBondContact O-N 3Å; Q434-E437 WeakPolarHBondContact O-CB 3.48Å; Q434-E437 PolarHBondContact O-N 3Å; Q434-E437 VanDerWaalsContact O-N 3.13Å; A435-E437 VanDerWaalsContact C-N 3.32Å; A435-E437 PolarHBondContact O-N 3.04Å; E437-R439 PolarHBondContact O-N 3.25Å
438V78Confident73.1Confident52 Ų5256.9 Ų56.932%0.31528%0.276SS..THydrogen-bonded Turntrans-77.813167.5-52.80000113.3Q434 W440 S441Q434-V438 PolarHBondContact O-N 3.02Å; V438-W440 VanDerWaalsContact C-N 3.27Å; V438-W440 PolarHBondContact O-N 3.33Å; V438-S441 WeakPolarHBondContact O-CB 3.5Å; V438-S441 PolarHBondContact O-N 3.03Å; V438-S441 PolarHBondContact O-OG 3.15Å
439R84.1Confident71.3Confident74 Ų7458.3 Ų58.328%0.27929%0.29SS..THydrogen-bonded Turntrans53.435178.6-49.4175.3169.7-165.4-4.8114.7Y382 A435 V436 E437 S441 G1542 D1546Y382-R439 HydrophobicContact CE1-CG 4.22Å; A435-R439 PolarHBondContact O-N 3.42Å; V436-R439 VanDerWaalsContact O-CA 3.31Å; V436-R439 WeakPolarHBondContact O-CA 3.26Å; V436-R439 PolarHBondContact O-N 2.8Å; E437-R439 PolarHBondContact O-N 3.25Å; R439-S441 PolarHBondContact O-N 2.89Å; R439-G1542 WeakPolarHBondContact CB-O 3.46Å; R439-G1542 CarbonylContact O-C 3.59Å; R439-G1542 WeakPolarHBondContact O-CA 3.24Å; R439-D1546 IonicContact CZ-OD1 2.93Å; R439-D1546 IonicContact NH1-OD1 3.25Å; R439-D1546 PolarHBondContact NH1-OD1 3.31Å; R439-D1546 IonicContact NH2-OD1 3.99Å
440W83.7Confident69.9Low9 Ų958.8 Ų58.83%0.03430%0.295CS..THydrogen-bonded Turntrans56.611.3-173.3-41.9-85.3000114.1A435 V436 V438 F442 N1539 F1545 T1582 D1585 M1586 V1589A435-W440 WeakPolarHBondContact O-CA 3.41Å; A435-W440 PolarHBondContact O-N 3.26Å; V436-W440 HydrophobicContact CB-CZ2 4.17Å; V436-W440 HydrophobicContact CG1-CH2 4.13Å; V436-W440 HydrophobicContact CG1-CZ2 3.9Å; V436-W440 HydrophobicContact CG2-CZ2 3.62Å; V438-W440 VanDerWaalsContact C-N 3.27Å; V438-W440 PolarHBondContact O-N 3.33Å; W440-F442 PolarHBondContact O-N 3.18Å; W440-N1539 VanDerWaalsContact O-CA 3.27Å; W440-N1539 WeakPolarHBondContact O-CA 3.31Å; W440-N1539 WeakPolarHBondContact O-CB 3.17Å; W440-N1539 PolarHBondContact O-OD1 2.81Å; W440-N1539 VanDerWaalsContact O-OD1 3.12Å; W440-F1545 HydrophobicContact CE3-CD2 4.3Å; W440-F1545 HydrophobicContact CE3-CE2 4.35Å; W440-F1545 HydrophobicContact CH2-CE1 4.16Å; W440-F1545 HydrophobicContact CH2-CE2 4.37Å; W440-F1545 HydrophobicContact CH2-CZ 4.01Å; W440-F1545 HydrophobicContact CZ3-CD1 4.01Å; W440-F1545 AromaticContact CZ3-CD2 3.8Å; W440-F1545 HydrophobicContact CZ3-CD2 3.8Å; W440-F1545 AromaticContact CZ3-CE1 3.91Å; W440-F1545 HydrophobicContact CZ3-CE1 3.91Å; W440-F1545 AromaticContact CZ3-CE2 3.7Å; W440-F1545 HydrophobicContact CZ3-CE2 3.7Å; W440-F1545 AromaticContact CZ3-CG 3.94Å; W440-F1545 HydrophobicContact CZ3-CG 3.94Å; W440-F1545 AromaticContact CZ3-CZ 3.73Å; W440-F1545 HydrophobicContact CZ3-CZ 3.73Å; W440-T1582 HydrophobicContact CB-CG2 4.4Å; W440-T1582 HydrophobicContact CG-CG2 4.19Å; W440-D1585 HydrophobicContact CZ2-CB 4.19Å; W440-M1586 HydrophobicContact CB-CE 4.07Å; W440-M1586 HydrophobicContact CD2-CE 3.84Å; W440-M1586 HydrophobicContact CD2-CG 3.68Å; W440-M1586 HydrophobicContact CE3-CE 3.49Å; W440-M1586 VanDerWaalsContact CE3-CE 3.49Å; W440-M1586 HydrophobicContact CE3-CG 3.6Å; W440-M1586 HydrophobicContact CE3-SD 4.45Å; W440-M1586 HydrophobicContact CG-CE 4.1Å; W440-M1586 HydrophobicContact CG-CG 4.44Å; W440-M1586 HydrophobicContact CH2-CB 4.28Å; W440-M1586 HydrophobicContact CH2-CG 3.79Å; W440-M1586 HydrophobicContact CZ2-CB 4.33Å; W440-M1586 HydrophobicContact CZ2-CG 3.81Å; W440-M1586 HydrophobicContact CZ3-CE 4.25Å; W440-M1586 HydrophobicContact CZ3-CG 3.68Å; W440-V1589 HydrophobicContact CH2-CB 3.93Å; W440-V1589 HydrophobicContact CH2-CG1 4.3Å; W440-V1589 HydrophobicContact CH2-CG2 3.82Å; W440-V1589 HydrophobicContact CZ2-CG2 4.09Å
441S64.6Low68.8Low18 Ų1854.6 Ų54.613%0.12628%0.279CS..  trans-61.7139.2165.972.10000107.8V438 R439 D443V438-S441 WeakPolarHBondContact O-CB 3.5Å; V438-S441 PolarHBondContact O-N 3.03Å; V438-S441 PolarHBondContact O-OG 3.15Å; R439-S441 PolarHBondContact O-N 2.89Å; S441-D443 PolarHBondContact O-N 3.19Å
442F54.7Low67.8Low68 Ų6853.7 Ų53.730%0.29827%0.274SS..  trans-81.271.5174.4-119-121.5000108.2W440 K444 C445 L1483 N1539W440-F442 PolarHBondContact O-N 3.18Å; F442-K444 HydrophobicContact CD1-CB 4.24Å; F442-K444 HydrophobicContact CD1-CD 4.38Å; F442-K444 HydrophobicContact CD1-CG 4.45Å; F442-K444 HydrophobicContact CE1-CD 4.08Å; F442-K444 PolarHBondContact O-N 3.49Å; F442-C445 PolarHBondContact O-N 3.37Å; F442-L1483 HydrophobicContact CB-CD2 3.89Å; F442-N1539 HydrophobicContact CB-CB 4.48Å; F442-N1539 WeakPolarHBondContact CB-ND2 3.42Å; F442-N1539 WeakPolarHBondContact CD2-ND2 3.45Å; F442-N1539 WeakPolarHBondContact CG-ND2 3.46Å
443D51Low67Low50 Ų5052.6 Ų52.627%0.26727%0.27SS..  trans-73.218.2177.1-136.5-19.6000112.9S441 C445 Q446 E447S441-D443 PolarHBondContact O-N 3.19Å; D443-C445 PolarHBondContact O-N 3.43Å; D443-Q446 CarbonylContact O-C 3.54Å; D443-Q446 WeakPolarHBondContact O-CA 3.41Å; D443-Q446 PolarHBondContact O-N 2.84Å; D443-Q446 PolarHBondContact OD1-N 2.87Å; D443-E447 PolarHBondContact O-N 3.29Å
444K45.3Very low66.4Low103 Ų10353.1 Ų53.145%0.44827%0.272SS..THydrogen-bonded Turntrans-57.827.2142.3-62.8-165.1174.7-167.40113.9F442 E447 A448 Q1480F442-K444 HydrophobicContact CD1-CB 4.24Å; F442-K444 HydrophobicContact CD1-CD 4.38Å; F442-K444 HydrophobicContact CD1-CG 4.45Å; F442-K444 HydrophobicContact CE1-CD 4.08Å; F442-K444 PolarHBondContact O-N 3.49Å; K444-E447 HydrophobicContact CG-CB 4.17Å; K444-A448 WeakPolarHBondContact O-CB 3.35Å; K444-Q1480 PolarHBondContact O-NE2 2.86Å
445C45Very low66.1Low17 Ų1750.2 Ų50.212%0.11527%0.269CS..THydrogen-bonded Turntrans-96.9-35152.3-173.20000110.7F442 D443 G451 S1484F442-C445 PolarHBondContact O-N 3.37Å; D443-C445 PolarHBondContact O-N 3.43Å; C445-G451 CarbonylContact O-C 3.58Å; C445-G451 VanDerWaalsContact O-CA 3.29Å; C445-G451 WeakPolarHBondContact O-CA 3.24Å; C445-S1484 WeakPolarHBondContact SG-CB 3.32Å; C445-S1484 PolarHBondContact SG-OG 3.38Å
446Q46.5Very low65.9Low126 Ų12650 Ų5059%0.58926%0.261SS*.THydrogen-bonded Turntrans-99.1-10.8169.7-61-17332.300113.5D443 F452D443-Q446 CarbonylContact O-C 3.54Å; D443-Q446 WeakPolarHBondContact O-CA 3.41Å; D443-Q446 PolarHBondContact O-N 2.84Å; D443-Q446 PolarHBondContact OD1-N 2.87Å; Q446-F452 VanDerWaalsContact O-CB 3.29Å; Q446-F452 WeakPolarHBondContact O-CB 3.48Å; Q446-F452 VanDerWaalsContact O-CD2 3.28Å; Q446-F452 WeakPolarHBondContact O-CD2 3.22Å
447E43.2Very low65.8Low107 Ų10750.6 Ų50.650%0.526%0.264SS..SBendtrans-104.8-6.1170.7-59.8-179.6155.100112.9Q434 D443 K444Q434-E447 PolarHBondContact NE2-OE1 3.43Å; D443-E447 PolarHBondContact O-N 3.29Å; K444-E447 HydrophobicContact CG-CB 4.17Å
448A51.4Low65.9Low17 Ų1746.4 Ų46.414%0.1425%0.245CC..SBendtrans-79.8123.1163.800000107.5K444 A450 G451 F452K444-A448 WeakPolarHBondContact O-CB 3.35Å; A448-A450 VanDerWaalsContact C-N 3.29Å; A448-A450 PolarHBondContact O-N 3.34Å; A448-A450 VanDerWaalsContact O-N 3.17Å; A448-G451 PolarHBondContact O-N 3.49Å; A448-F452 PolarHBondContact O-N 3.03Å
449T55.7Low66.4Low100 Ų10047.2 Ų47.261%0.61325%0.246SC*.Hα-helixtrans-45.6-52.6-173.8-430000111.8G451 F452 T453T449-G451 VanDerWaalsContact C-N 3.35Å; T449-G451 PolarHBondContact O-N 3.48Å; T449-F452 PolarHBondContact O-N 3.39Å; T449-T453 WeakPolarHBondContact O-CB 3.45Å; T449-T453 PolarHBondContact O-N 3.04Å; T449-T453 PolarHBondContact O-OG1 3.32Å
450A64.1Low66.8Low16 Ų1643.7 Ų43.713%0.13223%0.233CC..Hα-helixtrans-53.5-45.3176.700000113.8A448 I454 L1418A448-A450 VanDerWaalsContact C-N 3.29Å; A448-A450 PolarHBondContact O-N 3.34Å; A448-A450 VanDerWaalsContact O-N 3.17Å; A450-I454 VanDerWaalsContact O-CB 3.23Å; A450-I454 WeakPolarHBondContact O-CB 3.41Å; A450-I454 WeakPolarHBondContact O-CD1 3.47Å; A450-I454 WeakPolarHBondContact O-CG1 3.4Å; A450-I454 PolarHBondContact O-N 3.26Å; A450-L1418 HydrophobicContact CB-CD2 4.47Å
451G64.9Low67.1Low11 Ų1143.6 Ų43.611%0.11323%0.232CC..Hα-helixtrans-73.4-36.3-177.400000113.9C445 A448 T449 G455C445-G451 CarbonylContact O-C 3.58Å; C445-G451 VanDerWaalsContact O-CA 3.29Å; C445-G451 WeakPolarHBondContact O-CA 3.24Å; A448-G451 PolarHBondContact O-N 3.49Å; T449-G451 VanDerWaalsContact C-N 3.35Å; T449-G451 PolarHBondContact O-N 3.48Å; G451-G455 PolarHBondContact O-N 3.15Å; G451-G455 VanDerWaalsContact O-N 3.07Å
452F67.9Low68.2Low83 Ų8347 Ų4736%0.36425%0.246SC..Hα-helixtrans-64.6-51.3171.6-169.5-108.3000111.2Q446 A448 T449 I454 G455 R456 D500Q446-F452 VanDerWaalsContact O-CB 3.29Å; Q446-F452 WeakPolarHBondContact O-CB 3.48Å; Q446-F452 VanDerWaalsContact O-CD2 3.28Å; Q446-F452 WeakPolarHBondContact O-CD2 3.22Å; A448-F452 PolarHBondContact O-N 3.03Å; T449-F452 PolarHBondContact O-N 3.39Å; F452-I454 VanDerWaalsContact C-N 3.35Å; F452-I454 PolarHBondContact O-N 3.2Å; F452-G455 CarbonylContact O-C 3.32Å; F452-G455 WeakPolarHBondContact O-CA 3.46Å; F452-G455 PolarHBondContact O-N 2.98Å; F452-R456 HydrophobicContact CD1-CG 3.99Å; F452-R456 HydrophobicContact CE1-CG 3.67Å; F452-R456 HydrophobicContact CZ-CG 4.06Å; F452-R456 WeakPolarHBondContact O-CG 3.33Å; F452-R456 PolarHBondContact O-N 3.08Å; F452-D500 WeakPolarHBondContact CD1-OD1 3.45Å; F452-D500 HydrophobicContact CE1-CB 4.41Å; F452-D500 VanDerWaalsContact CE1-OD2 3.31Å; F452-D500 WeakPolarHBondContact CE1-OD2 3.3Å
453T74.1Confident69.9Low4 Ų444.1 Ų44.13%0.02523%0.234CC..Hα-helixtrans-65.7-37-177.5-510000111.2T449 G455 R456 V457 D500 A503 L1418T449-T453 WeakPolarHBondContact O-CB 3.45Å; T449-T453 PolarHBondContact O-N 3.04Å; T449-T453 PolarHBondContact O-OG1 3.32Å; T453-G455 VanDerWaalsContact C-N 3.34Å; T453-G455 PolarHBondContact O-N 3.12Å; T453-R456 PolarHBondContact O-N 3.02Å; T453-V457 HydrophobicContact CG2-CG2 4.4Å; T453-V457 VanDerWaalsContact O-CB 3.25Å; T453-V457 WeakPolarHBondContact O-CB 3.3Å; T453-V457 VanDerWaalsContact O-CG2 3.25Å; T453-V457 WeakPolarHBondContact O-CG2 3.5Å; T453-V457 PolarHBondContact O-N 3.28Å; T453-D500 PolarHBondContact OG1-OD1 3.02Å; T453-A503 HydrophobicContact CG2-CB 3.2Å; T453-L1418 HydrophobicContact CG2-CD1 3.63Å
454I78.3Confident71.9Confident17 Ų1741.9 Ų41.99%0.08722%0.223CC..Hα-helixtrans-61-41.5169.4-73.6165.1000111.2A450 F452 V457 L458 W1427 L1428A450-I454 VanDerWaalsContact O-CB 3.23Å; A450-I454 WeakPolarHBondContact O-CB 3.41Å; A450-I454 WeakPolarHBondContact O-CD1 3.47Å; A450-I454 WeakPolarHBondContact O-CG1 3.4Å; A450-I454 PolarHBondContact O-N 3.26Å; F452-I454 VanDerWaalsContact C-N 3.35Å; F452-I454 PolarHBondContact O-N 3.2Å; I454-V457 PolarHBondContact O-N 3.11Å; I454-L458 HydrophobicContact CG2-CD1 3.86Å; I454-L458 HydrophobicContact CG2-CG 4.29Å; I454-L458 WeakPolarHBondContact O-CB 3.48Å; I454-L458 VanDerWaalsContact O-CG 3.3Å; I454-L458 WeakPolarHBondContact O-CG 3.38Å; I454-L458 PolarHBondContact O-N 2.72Å; I454-W1427 HydrophobicContact CD1-CB 3.9Å; I454-W1427 HydrophobicContact CD1-CD2 4.34Å; I454-W1427 HydrophobicContact CD1-CG 4.01Å; I454-L1428 HydrophobicContact CG2-CD2 4Å
455G78.7Confident73.8Confident41 Ų4138 Ų3842%0.42321%0.206SC..Hα-helixtrans-60.3-46.2174.100000112.9G451 F452 T453 H459G451-G455 PolarHBondContact O-N 3.15Å; G451-G455 VanDerWaalsContact O-N 3.07Å; F452-G455 CarbonylContact O-C 3.32Å; F452-G455 WeakPolarHBondContact O-CA 3.46Å; F452-G455 PolarHBondContact O-N 2.98Å; T453-G455 VanDerWaalsContact C-N 3.34Å; T453-G455 PolarHBondContact O-N 3.12Å; G455-H459 WeakPolarHBondContact O-CB 3.29Å; G455-H459 PolarHBondContact O-N 2.96Å
456R81.7Confident75.7Confident30 Ų3039.7 Ų39.711%0.11322%0.218CC..Hα-helixtrans-62-47.1175-67.3-11861.2-163.4-8.4111.7F452 T453 H459 T460 I485F452-R456 HydrophobicContact CD1-CG 3.99Å; F452-R456 HydrophobicContact CE1-CG 3.67Å; F452-R456 HydrophobicContact CZ-CG 4.06Å; F452-R456 WeakPolarHBondContact O-CG 3.33Å; F452-R456 PolarHBondContact O-N 3.08Å; T453-R456 PolarHBondContact O-N 3.02Å; R456-H459 PolarHBondContact O-N 3.24Å; R456-T460 PolarHBondContact O-N 3.31Å; R456-T460 PolarHBondContact O-OG1 3.04Å; R456-T460 VanDerWaalsContact O-OG1 3.13Å; R456-I485 PolarHBondContact NH2-O 3.13Å
457V86.1Confident77.8Confident11 Ų1134.3 Ų34.37%0.06719%0.193CC..Hα-helixtrans-59.6-49.9178.4156.10000111.6T453 I454 H459 T460 L461 L507T453-V457 HydrophobicContact CG2-CG2 4.4Å; T453-V457 VanDerWaalsContact O-CB 3.25Å; T453-V457 WeakPolarHBondContact O-CB 3.3Å; T453-V457 VanDerWaalsContact O-CG2 3.25Å; T453-V457 WeakPolarHBondContact O-CG2 3.5Å; T453-V457 PolarHBondContact O-N 3.28Å; I454-V457 PolarHBondContact O-N 3.11Å; V457-H459 VanDerWaalsContact C-N 3.33Å; V457-H459 PolarHBondContact O-N 3.21Å; V457-T460 PolarHBondContact O-N 3.48Å; V457-L461 HydrophobicContact CG1-CD1 4.38Å; V457-L461 WeakPolarHBondContact O-CB 3.37Å; V457-L461 PolarHBondContact O-N 3.48Å; V457-L507 HydrophobicContact CB-CD2 4.08Å; V457-L507 HydrophobicContact CG1-CD1 4.04Å; V457-L507 HydrophobicContact CG1-CD2 3.87Å; V457-L507 HydrophobicContact CG1-CG 4.47Å; V457-L507 HydrophobicContact CG2-CB 4.48Å; V457-L507 HydrophobicContact CG2-CD2 4.16Å; V457-L507 VanDerWaalsContact O-CD2 3.24Å; V457-L507 WeakPolarHBondContact O-CD2 3.2Å
458L86Confident79.9Confident20 Ų2030.7 Ų30.711%0.10518%0.18CC..Hα-helixtrans-66.1-35178.9-70.5175.4000112.3I454 E462 Q1354 M1357 L1428 P1431I454-L458 HydrophobicContact CG2-CD1 3.86Å; I454-L458 HydrophobicContact CG2-CG 4.29Å; I454-L458 WeakPolarHBondContact O-CB 3.48Å; I454-L458 VanDerWaalsContact O-CG 3.3Å; I454-L458 WeakPolarHBondContact O-CG 3.38Å; I454-L458 PolarHBondContact O-N 2.72Å; L458-E462 WeakPolarHBondContact O-CB 3.5Å; L458-E462 PolarHBondContact O-N 3.21Å; L458-Q1354 HydrophobicContact CD2-CB 4.46Å; L458-M1357 HydrophobicContact CD2-CG 4.22Å; L458-L1428 HydrophobicContact CD1-CD2 3.85Å; L458-L1428 HydrophobicContact CD2-CD2 4.15Å; L458-L1428 HydrophobicContact CG-CD2 4.35Å; L458-P1431 HydrophobicContact CD1-CB 3.81Å; L458-P1431 HydrophobicContact CD1-CG 3.76Å
459H88.1Confident81.6Confident70 Ų7031 Ų3132%0.32418%0.178SC..Hα-helixtrans-66.4-45.5174.6-174.757.5000111.9G455 R456 V457 L461 E462 V463G455-H459 WeakPolarHBondContact O-CB 3.29Å; G455-H459 PolarHBondContact O-N 2.96Å; R456-H459 PolarHBondContact O-N 3.24Å; V457-H459 VanDerWaalsContact C-N 3.33Å; V457-H459 PolarHBondContact O-N 3.21Å; H459-L461 VanDerWaalsContact C-N 3.34Å; H459-L461 PolarHBondContact O-N 3.41Å; H459-E462 PolarHBondContact O-N 2.88Å; H459-V463 WeakPolarHBondContact O-CB 3.27Å; H459-V463 WeakPolarHBondContact O-CG2 3.32Å; H459-V463 PolarHBondContact O-N 3.06Å
460T91.1Very high83.1Confident0 Ų028.6 Ų28.60%016%0.16CC..Hα-helixtrans-59.7-44.4175.2-63.30000111.3R456 V457 E462 V463 L464 I485 V504 L507R456-T460 PolarHBondContact O-N 3.31Å; R456-T460 PolarHBondContact O-OG1 3.04Å; R456-T460 VanDerWaalsContact O-OG1 3.13Å; V457-T460 PolarHBondContact O-N 3.48Å; T460-E462 PolarHBondContact O-N 3.27Å; T460-V463 PolarHBondContact O-N 3.28Å; T460-L464 HydrophobicContact CG2-CD1 4Å; T460-L464 VanDerWaalsContact O-CG 3.31Å; T460-L464 WeakPolarHBondContact O-CG 3.37Å; T460-L464 PolarHBondContact O-N 3.28Å; T460-I485 HydrophobicContact CG2-CD1 4.22Å; T460-I485 HydrophobicContact CG2-CG1 4.18Å; T460-I485 HydrophobicContact CG2-CG2 4.03Å; T460-V504 HydrophobicContact CG2-CG1 4.27Å; T460-L507 HydrophobicContact CG2-CD2 3.84Å
461L90.4Very high84.2Confident6 Ų635.1 Ų35.13%0.03118%0.181CC..Hα-helixtrans-58.4-46.3173.9-98.7162.3000112.6V457 H459 L464 D465 L507 Q1354 W1355V457-L461 HydrophobicContact CG1-CD1 4.38Å; V457-L461 WeakPolarHBondContact O-CB 3.37Å; V457-L461 PolarHBondContact O-N 3.48Å; H459-L461 VanDerWaalsContact C-N 3.34Å; H459-L461 PolarHBondContact O-N 3.41Å; L461-L464 PolarHBondContact O-N 3.03Å; L461-D465 VanDerWaalsContact O-CB 3.23Å; L461-D465 WeakPolarHBondContact O-CB 3.36Å; L461-D465 PolarHBondContact O-N 3.41Å; L461-L507 HydrophobicContact CD1-CD1 3.86Å; L461-L507 HydrophobicContact CD1-CD2 4.48Å; L461-L507 HydrophobicContact CG-CD1 4.07Å; L461-L507 HydrophobicContact CG-CD2 4.18Å; L461-Q1354 HydrophobicContact CD1-CB 3.71Å; L461-Q1354 HydrophobicContact CD1-CG 3.87Å; L461-W1355 HydrophobicContact CD2-CE3 4.07Å; L461-W1355 HydrophobicContact CD2-CH2 4.46Å; L461-W1355 HydrophobicContact CD2-CZ3 3.71Å
462E87.7Confident85.3Confident90 Ų9035 Ų3542%0.42118%0.179SC..Hα-helixtrans-66-35.9178.2175.2158.4-133.200113L458 H459 T460 S466 K1435L458-E462 WeakPolarHBondContact O-CB 3.5Å; L458-E462 PolarHBondContact O-N 3.21Å; H459-E462 PolarHBondContact O-N 2.88Å; T460-E462 PolarHBondContact O-N 3.27Å; E462-S466 WeakPolarHBondContact O-CB 3.19Å; E462-S466 PolarHBondContact O-N 3.37Å; E462-S466 VanDerWaalsContact O-N 3.13Å; E462-S466 PolarHBondContact O-OG 3.1Å; E462-K1435 IonicContact OE1-NZ 2.77Å; E462-K1435 PolarHBondContact OE1-NZ 3.39Å; E462-K1435 IonicContact OE2-NZ 3.44Å; E462-K1435 PolarHBondContact OE2-NZ 2.94Å
463V91.1Very high86.2Confident7 Ų733.5 Ų33.54%0.04218%0.175CC..Hα-helixtrans-66.7-38.9174164.20000111.5H459 T460 S466 H467 L481 R484 I485H459-V463 WeakPolarHBondContact O-CB 3.27Å; H459-V463 WeakPolarHBondContact O-CG2 3.32Å; H459-V463 PolarHBondContact O-N 3.06Å; T460-V463 PolarHBondContact O-N 3.28Å; V463-S466 PolarHBondContact O-OG 3.31Å; V463-H467 WeakPolarHBondContact O-CB 3.3Å; V463-H467 PolarHBondContact O-N 3.25Å; V463-L481 HydrophobicContact CG1-CD1 3.54Å; V463-R484 HydrophobicContact CG1-CB 3.72Å; V463-R484 HydrophobicContact CG2-CB 4.14Å; V463-I485 HydrophobicContact CG1-CD1 4.46Å; V463-I485 HydrophobicContact CG1-CG1 3.92Å
464L92Very high86.6Confident4 Ų443 Ų432%0.02122%0.216CC..Hα-helixtrans-70.5-46.2174.2-68.8163.9000112.1T460 L461 S466 H467 F469 L481 I485 L508 W511T460-L464 HydrophobicContact CG2-CD1 4Å; T460-L464 VanDerWaalsContact O-CG 3.31Å; T460-L464 WeakPolarHBondContact O-CG 3.37Å; T460-L464 PolarHBondContact O-N 3.28Å; L461-L464 PolarHBondContact O-N 3.03Å; L464-S466 PolarHBondContact O-N 3.05Å; L464-H467 PolarHBondContact O-N 2.83Å; L464-F469 HydrophobicContact CD2-CZ 4.41Å; L464-L481 HydrophobicContact CD2-CD1 4.3Å; L464-L481 HydrophobicContact CD2-CD2 4.37Å; L464-I485 HydrophobicContact CD2-CD1 4.22Å; L464-I485 HydrophobicContact CG-CD1 4.42Å; L464-L508 HydrophobicContact CD1-CD2 3.95Å; L464-L508 HydrophobicContact CD2-CD2 4.4Å; L464-W511 HydrophobicContact CB-CZ2 4.13Å; L464-W511 HydrophobicContact CD1-CD2 4.01Å; L464-W511 HydrophobicContact CD1-CG 4.05Å; L464-W511 HydrophobicContact CD2-CH2 4.08Å; L464-W511 HydrophobicContact CD2-CZ2 4.11Å; L464-W511 HydrophobicContact CD2-CZ3 4.3Å
465D86.9Confident86.7Confident20 Ų2045.6 Ų45.611%0.10724%0.236CC..Hα-helixtrans-66.9-19.6-177.6-92.611.7000114.1L461 R517 R1358L461-D465 VanDerWaalsContact O-CB 3.23Å; L461-D465 WeakPolarHBondContact O-CB 3.36Å; L461-D465 PolarHBondContact O-N 3.41Å; D465-R517 IonicContact OD1-CZ 3.26Å; D465-R517 IonicContact OD1-NE 2.98Å; D465-R517 PolarHBondContact OD1-NE 3.27Å; D465-R517 IonicContact OD1-NH2 3.41Å; D465-R517 IonicContact OD2-CZ 3.16Å; D465-R517 IonicContact OD2-NE 2.77Å; D465-R517 PolarHBondContact OD2-NE 3.26Å; D465-R517 IonicContact OD2-NH2 4Å; D465-R517 PolarHBondContact OD2-NH2 2.77Å; D465-R1358 PolarHBondContact O-NH1 3.05Å; D465-R1358 VanDerWaalsContact O-NH1 3.07Å; D465-R1358 PolarHBondContact O-NH2 2.94Å; D465-R1358 IonicContact OD1-NH1 3.59Å; D465-R1358 WeakPolarHBondContact OD2-CD 3.2Å; D465-R1358 IonicContact OD2-CZ 3.69Å; D465-R1358 IonicContact OD2-NH1 3.35Å; D465-R1358 PolarHBondContact OD2-NH1 2.9Å
466S84.3Confident87.1Confident53 Ų5345.1 Ų45.137%0.37122%0.223SC..Hα-helixtrans-97.2-25.1174.656.10000113.3E462 V463 L464 K1299E462-S466 WeakPolarHBondContact O-CB 3.19Å; E462-S466 PolarHBondContact O-N 3.37Å; E462-S466 VanDerWaalsContact O-N 3.13Å; E462-S466 PolarHBondContact O-OG 3.1Å; V463-S466 PolarHBondContact O-OG 3.31Å; L464-S466 PolarHBondContact O-N 3.05Å; S466-K1299 WeakPolarHBondContact O-CE 3.44Å; S466-K1299 PolarHBondContact O-NZ 3.45Å
467H89.6Confident87.5Confident13 Ų1344.4 Ų44.46%0.0622%0.223CC..  trans-59142.4178.9-165.7-89.6000112.1V463 L464 F469 N476 L481 K1299V463-H467 WeakPolarHBondContact O-CB 3.3Å; V463-H467 PolarHBondContact O-N 3.25Å; L464-H467 PolarHBondContact O-N 2.83Å; H467-F469 HydrophobicContact CB-CE1 4.43Å; H467-F469 HydrophobicContact CB-CE2 3.89Å; H467-F469 HydrophobicContact CB-CZ 3.81Å; H467-F469 AromaticContact CE1-CD1 3.89Å; H467-F469 AromaticContact CE1-CE1 3.84Å; H467-F469 AromaticContact CG-CE1 3.95Å; H467-F469 AromaticContact CG-CZ 3.83Å; H467-F469 AromaticContact ND1-CD1 3.35Å; H467-F469 VanDerWaalsContact ND1-CD1 3.35Å; H467-F469 WeakPolarHBondContact ND1-CD1 3.43Å; H467-F469 AromaticContact ND1-CE1 3.18Å; H467-F469 WeakPolarHBondContact ND1-CE1 3.31Å; H467-F469 AromaticContact ND1-CE2 3.87Å; H467-F469 AromaticContact ND1-CG 3.76Å; H467-F469 AromaticContact ND1-CZ 3.46Å; H467-F469 WeakPolarHBondContact ND1-CZ 3.41Å; H467-N476 VanDerWaalsContact NE2-C 3.3Å; H467-N476 WeakPolarHBondContact NE2-CA 3.44Å; H467-N476 PolarHBondContact NE2-O 3Å; H467-L481 HydrophobicContact CB-CD1 4.33Å; H467-K1299 PolarHBondContact O-NZ 3.29Å
468S87.5Confident87.6Confident32 Ų3245.8 Ų45.822%0.22423%0.23CC..  trans-103.890.9179.5-179.30000111.8E470 R471 N476S468-E470 PolarHBondContact O-N 2.8Å; S468-R471 PolarHBondContact O-N 3.2Å; S468-R471 VanDerWaalsContact O-N 3.15Å; S468-N476 PolarHBondContact N-OD1 2.8Å; S468-N476 VanDerWaalsContact N-OD1 3.16Å
469F88.5Confident87.7Confident22 Ų2248.1 Ų48.110%0.09624%0.243CC..THydrogen-bonded Turntrans-69.72.3180-59.2-76000115.3L464 H467 L481 W511 H521 V525 A936 I939L464-F469 HydrophobicContact CD2-CZ 4.41Å; H467-F469 HydrophobicContact CB-CE1 4.43Å; H467-F469 HydrophobicContact CB-CE2 3.89Å; H467-F469 HydrophobicContact CB-CZ 3.81Å; H467-F469 AromaticContact CE1-CD1 3.89Å; H467-F469 AromaticContact CE1-CE1 3.84Å; H467-F469 AromaticContact CG-CE1 3.95Å; H467-F469 AromaticContact CG-CZ 3.83Å; H467-F469 AromaticContact ND1-CD1 3.35Å; H467-F469 VanDerWaalsContact ND1-CD1 3.35Å; H467-F469 WeakPolarHBondContact ND1-CD1 3.43Å; H467-F469 AromaticContact ND1-CE1 3.18Å; H467-F469 WeakPolarHBondContact ND1-CE1 3.31Å; H467-F469 AromaticContact ND1-CE2 3.87Å; H467-F469 AromaticContact ND1-CG 3.76Å; H467-F469 AromaticContact ND1-CZ 3.46Å; H467-F469 WeakPolarHBondContact ND1-CZ 3.41Å; F469-L481 HydrophobicContact CE1-CD2 3.86Å; F469-L481 HydrophobicContact CZ-CD2 4.04Å; F469-W511 HydrophobicContact CE2-CH2 4.03Å; F469-W511 HydrophobicContact CE2-CZ2 4.13Å; F469-W511 AromaticContact CZ-CH2 3.94Å; F469-W511 HydrophobicContact CZ-CH2 3.94Å; F469-W511 HydrophobicContact CZ-CZ2 4.36Å; F469-H521 AromaticContact CD2-NE2 3.45Å; F469-H521 WeakPolarHBondContact CD2-NE2 3.47Å; F469-H521 AromaticContact CG-CD2 3.64Å; F469-H521 AromaticContact CG-NE2 3.54Å; F469-V525 HydrophobicContact CD1-CG2 3.73Å; F469-V525 HydrophobicContact CE1-CB 4.35Å; F469-V525 HydrophobicContact CE1-CG1 3.84Å; F469-V525 HydrophobicContact CE1-CG2 3.55Å; F469-V525 HydrophobicContact CZ-CG1 4.24Å; F469-V525 HydrophobicContact CZ-CG2 4.43Å; F469-A936 HydrophobicContact CB-CB 4.48Å; F469-A936 WeakPolarHBondContact O-CA 3.27Å; F469-A936 WeakPolarHBondContact O-CB 3.27Å; F469-I939 VanDerWaalsContact O-CG2 3.32Å; F469-I939 WeakPolarHBondContact O-CG2 3.41Å
470E85.9Confident87.8Confident51 Ų5145.7 Ų45.724%0.23823%0.233CC..THydrogen-bonded Turntrans-95.1-8.6170.1-74.3-164.4-164.700114.7S468 H935 S982 R1215S468-E470 PolarHBondContact O-N 2.8Å; E470-H935 PolarHBondContact O-NE2 2.89Å; E470-S982 VanDerWaalsContact O-CB 3.29Å; E470-S982 WeakPolarHBondContact O-CB 3.38Å; E470-S982 PolarHBondContact O-OG 2.92Å; E470-R1215 IonicContact OE2-CZ 2.71Å; E470-R1215 IonicContact OE2-NH1 3.46Å; E470-R1215 PolarHBondContact OE2-NH1 3.42Å
471R87.8Confident87.9Confident153 Ų15345.7 Ų45.758%0.57723%0.233SC*.  trans-137.6150.3-175.9-63.8-171.9179.4161.25.5110.7S468 I939 S982S468-R471 PolarHBondContact O-N 3.2Å; S468-R471 VanDerWaalsContact O-N 3.15Å; R471-I939 VanDerWaalsContact C-CD1 3.49Å; R471-S982 CarbonylContact C-O 3.57Å; R471-S982 VanDerWaalsContact CA-O 3.3Å; R471-S982 WeakPolarHBondContact CA-O 3.32Å
472S88.3Confident87.9Confident9 Ų945.4 Ų45.46%0.06323%0.232CC..BIsolated β-bridgetrans-128.6117.7176.1178.70000108.5S982 S984S472-S982 PolarHBondContact N-O 2.85Å; S472-S984 PolarHBondContact O-N 3.39Å; S472-S984 PolarHBondContact O-OG 3.49Å
473D87Confident88Confident51 Ų5145.8 Ų45.827%0.27324%0.237SC..SBendtrans-148.1178.3176.866.562.6000108.7S475 N476 S477D473-S475 PolarHBondContact O-N 2.89Å; D473-S475 VanDerWaalsContact OD1-CA 3.31Å; D473-S475 WeakPolarHBondContact OD1-CA 3.25Å; D473-S475 WeakPolarHBondContact OD1-CB 3.35Å; D473-S475 PolarHBondContact OD1-N 3.34Å; D473-S475 PolarHBondContact OD1-OG 2.89Å; D473-N476 CarbonylContact O-C 3.37Å; D473-N476 PolarHBondContact O-N 2.78Å; D473-N476 PolarHBondContact OD1-N 2.93Å; D473-N476 PolarHBondContact OD1-ND2 2.71Å; D473-N476 PolarHBondContact OD2-ND2 2.73Å; D473-S477 WeakPolarHBondContact O-CB 3.47Å; D473-S477 PolarHBondContact O-N 3.1Å
474F81.5Confident88Confident202 Ų20249.1 Ų49.189%0.88625%0.248SC*.THydrogen-bonded Turntrans-61.4-16.7-176.1-160.9-91.9000114.5
475S81.6Confident88Confident72 Ų7248.9 Ų48.950%0.50325%0.247SC..THydrogen-bonded Turntrans-108-9.417665.80000114.5D473 S480 R484D473-S475 PolarHBondContact O-N 2.89Å; D473-S475 VanDerWaalsContact OD1-CA 3.31Å; D473-S475 WeakPolarHBondContact OD1-CA 3.25Å; D473-S475 WeakPolarHBondContact OD1-CB 3.35Å; D473-S475 PolarHBondContact OD1-N 3.34Å; D473-S475 PolarHBondContact OD1-OG 2.89Å; S475-S480 PolarHBondContact O-OG 3Å; S475-R484 PolarHBondContact O-NH2 3.13Å
476N87Confident88.1Confident31 Ų3148.5 Ų48.517%0.16625%0.245CC..SBendtrans-127.435.5177.2-65.6-76000111.8H467 S468 D473H467-N476 VanDerWaalsContact NE2-C 3.3Å; H467-N476 WeakPolarHBondContact NE2-CA 3.44Å; H467-N476 PolarHBondContact NE2-O 3Å; S468-N476 PolarHBondContact N-OD1 2.8Å; S468-N476 VanDerWaalsContact N-OD1 3.16Å; D473-N476 CarbonylContact O-C 3.37Å; D473-N476 PolarHBondContact O-N 2.78Å; D473-N476 PolarHBondContact OD1-N 2.93Å; D473-N476 PolarHBondContact OD1-ND2 2.71Å; D473-N476 PolarHBondContact OD2-ND2 2.73Å
477S89.4Confident87.6Confident16 Ų1648.5 Ų48.511%0.11225%0.253CS..SBendtrans-95.7154.8171.771.40000111.2D473 D479 S480 L481D473-S477 WeakPolarHBondContact O-CB 3.47Å; D473-S477 PolarHBondContact O-N 3.1Å; S477-D479 PolarHBondContact O-N 2.89Å; S477-S480 PolarHBondContact N-OG 3.18Å; S477-S480 VanDerWaalsContact N-OG 3.14Å; S477-S480 WeakPolarHBondContact O-CA 3.31Å; S477-S480 WeakPolarHBondContact O-CB 3.15Å; S477-S480 PolarHBondContact O-N 2.86Å; S477-S480 PolarHBondContact O-OG 3.44Å; S477-S480 WeakPolarHBondContact OG-CB 3.43Å; S477-S480 PolarHBondContact OG-N 2.91Å; S477-L481 PolarHBondContact O-N 3.1Å
478L88.9Confident86Confident39 Ų3953 Ų5320%0.20428%0.277CS..Hα-helixtrans-55.9-34.2172.5-169.273.7000111.7L481 C482 K528 L529L478-L481 HydrophobicContact CD1-CD2 4.5Å; L478-L481 WeakPolarHBondContact O-CB 3.33Å; L478-L481 PolarHBondContact O-N 3.19Å; L478-C482 WeakPolarHBondContact O-CB 3.4Å; L478-C482 PolarHBondContact O-N 3.26Å; L478-K528 HydrophobicContact CD2-CB 3.73Å; L478-L529 HydrophobicContact CD1-CD2 3.87Å; L478-L529 HydrophobicContact CD1-CG 3.95Å; L478-L529 HydrophobicContact CG-CD2 4.33Å
479D88.3Confident84.1Confident70 Ų7053.9 Ų53.937%0.37429%0.291SS..Hα-helixtrans-63.7-45.4173.4-53.3-74.4000112.5S477 L481 C482 N483 K532S477-D479 PolarHBondContact O-N 2.89Å; D479-L481 PolarHBondContact O-N 3.26Å; D479-C482 PolarHBondContact O-N 2.87Å; D479-N483 VanDerWaalsContact O-CB 3.28Å; D479-N483 WeakPolarHBondContact O-CB 3.34Å; D479-N483 PolarHBondContact O-N 2.89Å; D479-N483 PolarHBondContact O-ND2 3.2Å; D479-K532 IonicContact OD1-NZ 2.71Å; D479-K532 PolarHBondContact OD1-NZ 3.25Å
480S90.1Very high81.8Confident18 Ų1859 Ų5913%0.12633%0.326CS..Hα-helixtrans-64.4-27.4175.781.60000112S475 S477 R484S475-S480 PolarHBondContact O-OG 3Å; S477-S480 PolarHBondContact N-OG 3.18Å; S477-S480 VanDerWaalsContact N-OG 3.14Å; S477-S480 WeakPolarHBondContact O-CA 3.31Å; S477-S480 WeakPolarHBondContact O-CB 3.15Å; S477-S480 PolarHBondContact O-N 2.86Å; S477-S480 PolarHBondContact O-OG 3.44Å; S477-S480 WeakPolarHBondContact OG-CB 3.43Å; S477-S480 PolarHBondContact OG-N 2.91Å; S480-R484 WeakPolarHBondContact O-CB 3.48Å; S480-R484 WeakPolarHBondContact O-CG 3.34Å; S480-R484 PolarHBondContact O-N 3.44Å; S480-R484 PolarHBondContact O-NE 3.14Å; S480-R484 PolarHBondContact OG-NH2 2.92Å
481L91.9Very high79.6Confident0 Ų061.8 Ų61.80%035%0.351CS..Hα-helixtrans-77.3-50.5177.6-17458.2000110.6V463 L464 H467 F469 S477 L478 D479 N483 R484 I485 V525 L529V463-L481 HydrophobicContact CG1-CD1 3.54Å; L464-L481 HydrophobicContact CD2-CD1 4.3Å; L464-L481 HydrophobicContact CD2-CD2 4.37Å; H467-L481 HydrophobicContact CB-CD1 4.33Å; F469-L481 HydrophobicContact CE1-CD2 3.86Å; F469-L481 HydrophobicContact CZ-CD2 4.04Å; S477-L481 PolarHBondContact O-N 3.1Å; L478-L481 HydrophobicContact CD1-CD2 4.5Å; L478-L481 WeakPolarHBondContact O-CB 3.33Å; L478-L481 PolarHBondContact O-N 3.19Å; D479-L481 PolarHBondContact O-N 3.26Å; L481-N483 VanDerWaalsContact C-N 3.34Å; L481-N483 PolarHBondContact O-N 3.05Å; L481-R484 PolarHBondContact O-N 3.13Å; L481-R484 VanDerWaalsContact O-N 3.14Å; L481-I485 HydrophobicContact CD1-CD1 3.87Å; L481-I485 HydrophobicContact CD1-CG1 4.43Å; L481-I485 HydrophobicContact CG-CD1 3.99Å; L481-I485 WeakPolarHBondContact O-CG1 3.19Å; L481-I485 PolarHBondContact O-N 3.26Å; L481-V525 HydrophobicContact CD2-CG1 4.05Å; L481-L529 HydrophobicContact CB-CD2 4.42Å; L481-L529 HydrophobicContact CD2-CD1 4.08Å; L481-L529 HydrophobicContact CD2-CD2 4.4Å; L481-L529 HydrophobicContact CG-CD1 4.28Å; L481-L529 HydrophobicContact CG-CD2 4.17Å
482C91.5Very high77.3Confident0 Ų063.9 Ų63.90%037%0.365CS..Hα-helixtrans-54.9-48.6174-1620000111.3L478 D479 R484 I485 F486 L529 K532L478-C482 WeakPolarHBondContact O-CB 3.4Å; L478-C482 PolarHBondContact O-N 3.26Å; D479-C482 PolarHBondContact O-N 2.87Å; C482-R484 VanDerWaalsContact C-N 3.29Å; C482-R484 PolarHBondContact O-N 3.45Å; C482-I485 PolarHBondContact O-N 3.44Å; C482-I485 VanDerWaalsContact O-N 3.17Å; C482-F486 PolarHBondContact O-N 3.05Å; C482-L529 HydrophobicContact CB-CD2 3.88Å; C482-K532 HydrophobicContact CB-CD 4.2Å
483N89.5Confident74.9Confident98 Ų9868.1 Ų68.152%0.52439%0.387SS..Hα-helixtrans-64.9-27.6179.8-69.1-10.5000113.6D479 L481 G487D479-N483 VanDerWaalsContact O-CB 3.28Å; D479-N483 WeakPolarHBondContact O-CB 3.34Å; D479-N483 PolarHBondContact O-N 2.89Å; D479-N483 PolarHBondContact O-ND2 3.2Å; L481-N483 VanDerWaalsContact C-N 3.34Å; L481-N483 PolarHBondContact O-N 3.05Å; N483-G487 VanDerWaalsContact O-CA 3.25Å; N483-G487 WeakPolarHBondContact O-CA 3.33Å; N483-G487 PolarHBondContact O-N 3.32Å
484R91.1Very high72.6Confident77 Ų7768.1 Ų68.129%0.29140%0.399SS..Hα-helixtrans-79-35.9173.6-82.1178.3-77.3-177.6-15112.5V463 S475 S480 L481 C482V463-R484 HydrophobicContact CG1-CB 3.72Å; V463-R484 HydrophobicContact CG2-CB 4.14Å; S475-R484 PolarHBondContact O-NH2 3.13Å; S480-R484 WeakPolarHBondContact O-CB 3.48Å; S480-R484 WeakPolarHBondContact O-CG 3.34Å; S480-R484 PolarHBondContact O-N 3.44Å; S480-R484 PolarHBondContact O-NE 3.14Å; S480-R484 PolarHBondContact OG-NH2 2.92Å; L481-R484 PolarHBondContact O-N 3.13Å; L481-R484 VanDerWaalsContact O-N 3.14Å; C482-R484 VanDerWaalsContact C-N 3.29Å; C482-R484 PolarHBondContact O-N 3.45Å
485I91.2Very high70.7Confident0 Ų066 Ų660%039%0.391CS..Hα-helixtrans-78.4-51.9-178.2-65.5173.7000110.7R456 T460 V463 L464 L481 C482 V504 L529R456-I485 PolarHBondContact NH2-O 3.13Å; T460-I485 HydrophobicContact CG2-CD1 4.22Å; T460-I485 HydrophobicContact CG2-CG1 4.18Å; T460-I485 HydrophobicContact CG2-CG2 4.03Å; V463-I485 HydrophobicContact CG1-CD1 4.46Å; V463-I485 HydrophobicContact CG1-CG1 3.92Å; L464-I485 HydrophobicContact CD2-CD1 4.22Å; L464-I485 HydrophobicContact CG-CD1 4.42Å; L481-I485 HydrophobicContact CD1-CD1 3.87Å; L481-I485 HydrophobicContact CD1-CG1 4.43Å; L481-I485 HydrophobicContact CG-CD1 3.99Å; L481-I485 WeakPolarHBondContact O-CG1 3.19Å; L481-I485 PolarHBondContact O-N 3.26Å; C482-I485 PolarHBondContact O-N 3.44Å; C482-I485 VanDerWaalsContact O-N 3.17Å; I485-V504 HydrophobicContact CG2-CG1 3.51Å; I485-L529 HydrophobicContact CD1-CD1 3.97Å
486F88.9Confident69.1Low11 Ų1171.6 Ų71.65%0.04841%0.41CS..THydrogen-bonded Turntrans-100.7-31.4-174-61.7-71.9000114C482 L488 V504 L508 L530 R533C482-F486 PolarHBondContact O-N 3.05Å; F486-L488 PolarHBondContact O-N 2.75Å; F486-V504 HydrophobicContact CE1-CB 4.48Å; F486-V504 HydrophobicContact CE1-CG1 3.72Å; F486-V504 HydrophobicContact CZ-CG1 3.97Å; F486-L508 HydrophobicContact CZ-CD1 4.06Å; F486-L530 HydrophobicContact CZ-CD2 4.29Å; F486-R533 HydrophobicContact CD1-CG 4.05Å; F486-R533 HydrophobicContact CD2-CB 4.2Å; F486-R533 HydrophobicContact CD2-CG 4.03Å; F486-R533 HydrophobicContact CE1-CG 4.08Å; F486-R533 HydrophobicContact CE2-CB 4.03Å; F486-R533 HydrophobicContact CE2-CG 4.06Å; F486-R533 HydrophobicContact CG-CG 4.03Å; F486-R533 HydrophobicContact CZ-CB 4.37Å; F486-R533 HydrophobicContact CZ-CG 4.08Å
487G73.4Confident67.7Low53 Ų5372.8 Ų72.855%0.54642%0.415SS..THydrogen-bonded Turntrans-69.215.7-172.400000117.5N483N483-G487 VanDerWaalsContact O-CA 3.25Å; N483-G487 WeakPolarHBondContact O-CA 3.33Å; N483-G487 PolarHBondContact O-N 3.32Å
488L56.5Low66.5Low109 Ų10974.7 Ų74.757%0.57143%0.428SS*.THydrogen-bonded Turntrans-87.69.8-177.5-82.4175.7000115.2F486F486-L488 PolarHBondContact O-N 2.75Å
489G47.2Very low65.4Low49 Ų4975.8 Ų75.851%0.50544%0.44SS..  trans-169.8103.6174.900000116.1S491G489-S491 PolarHBondContact O-N 3.4Å
490P40.4Very low64.5Low130 Ų13073.8 Ų73.884%0.84443%0.429SS*.  trans-78.668.5160.634.2-33.5000109.8K492P490-K492 PolarHBondContact O-N 3.07Å
491S39.7Very low64.1Low109 Ų10973.5 Ų73.576%0.76243%0.426SS*.  trans-65.3121.3169-77.30000108.7G489 D493G489-S491 PolarHBondContact O-N 3.4Å; S491-D493 VanDerWaalsContact C-N 3.27Å; S491-D493 PolarHBondContact O-N 3.15Å
492K40.1Very low63.9Low197 Ų19775.2 Ų75.286%0.85744%0.435SS*.SBendtrans-90.318-161.8-142.9-178.5-177.1-1760114.9P490P490-K492 PolarHBondContact O-N 3.07Å
493D37.4Very low63.5Low99 Ų9975.5 Ų75.553%0.52944%0.438SS..  trans-111.1106.1177.2-69.7-60.8000107.9S491S491-D493 VanDerWaalsContact C-N 3.27Å; S491-D493 PolarHBondContact O-N 3.15Å
494G39.3Very low63.6Low51 Ų5170.9 Ų70.953%0.52641%0.413SS..  trans-79.5171.7-176.700000114.5
495H41Very low63.7Low157 Ų15767.2 Ų67.273%0.72740%0.399SS*.SBendtrans75.247.6171.4-41.2-47.3000118.4E544H495-E544 IonicContact CE1-OE2 2.7Å
496E49.1Very low63.7Low190 Ų19068 Ų6889%0.88841%0.405SS*.SBendtrans-162.9158.4136.3-110.4159.2-150.700109.6
497I56.6Low63.8Low55 Ų5567.5 Ų67.528%0.28240%0.402SS..  trans-71.4132.7172.8-55.7167.9000106.7S499 D501 I566I497-S499 PolarHBondContact O-N 2.85Å; I497-D501 HydrophobicContact CG2-CB 4.19Å; I497-I566 HydrophobicContact CD1-CG2 3.59Å; I497-I566 HydrophobicContact CG1-CG2 4.33Å
498S64.6Low64.9Low56 Ų5665 Ų6539%0.39238%0.376SS..  trans-66.6135.6176.5-178.20000110.3D500 D501 D502S498-D500 PolarHBondContact O-N 3.17Å; S498-D500 PolarHBondContact OG-N 3.32Å; S498-D500 PolarHBondContact OG-OD2 3.36Å; S498-D501 PolarHBondContact O-N 2.95Å; S498-D502 PolarHBondContact O-N 3.41Å
499S65.9Low66.7Low63 Ų6359.8 Ų59.844%0.44135%0.349SS..Hα-helixtrans-58.8-13.9171.456.50000113.8I497I497-S499 PolarHBondContact O-N 2.85Å
500D68.4Low68.9Low28 Ų2858.7 Ų58.715%0.1533%0.331CS..Hα-helixtrans-78.4-33.3171.2-60.7-53.3000113.1F452 T453 S498 A503 V504F452-D500 WeakPolarHBondContact CD1-OD1 3.45Å; F452-D500 HydrophobicContact CE1-CB 4.41Å; F452-D500 VanDerWaalsContact CE1-OD2 3.31Å; F452-D500 WeakPolarHBondContact CE1-OD2 3.3Å; T453-D500 PolarHBondContact OG1-OD1 3.02Å; S498-D500 PolarHBondContact O-N 3.17Å; S498-D500 PolarHBondContact OG-N 3.32Å; S498-D500 PolarHBondContact OG-OD2 3.36Å; D500-A503 PolarHBondContact O-N 3.47Å; D500-V504 WeakPolarHBondContact O-CG2 3.31Å; D500-V504 PolarHBondContact O-N 2.9Å; D500-V504 VanDerWaalsContact O-N 3.1Å
501D82.9Confident71.5Confident12 Ų1252.9 Ų52.96%0.06429%0.292CS..Hα-helixtrans-68.2-40.2173.7-8417.2000108.9I497 S498 A503 V504 V505 R533I497-D501 HydrophobicContact CG2-CB 4.19Å; S498-D501 PolarHBondContact O-N 2.95Å; D501-A503 VanDerWaalsContact C-N 3.3Å; D501-A503 PolarHBondContact O-N 3.25Å; D501-V504 CarbonylContact O-C 3.57Å; D501-V504 WeakPolarHBondContact O-CA 3.47Å; D501-V504 WeakPolarHBondContact O-CB 3.24Å; D501-V504 PolarHBondContact O-N 3.4Å; D501-V505 VanDerWaalsContact O-CG2 3.22Å; D501-V505 WeakPolarHBondContact O-CG2 3.44Å; D501-V505 PolarHBondContact O-N 2.84Å; D501-R533 IonicContact OD2-CZ 3.63Å; D501-R533 IonicContact OD2-NE 2.63Å; D501-R533 PolarHBondContact OD2-NE 3.47Å; D501-R533 IonicContact OD2-NH2 2.7Å; D501-R533 PolarHBondContact OD2-NH2 2.91Å
502D86.3Confident74.1Confident36 Ų3647.9 Ų47.919%0.19326%0.257CS..Hα-helixtrans-55.6-41.2174.1-63.1-14.3000113.1S498 V505 S506 V570S498-D502 PolarHBondContact O-N 3.41Å; D502-V505 PolarHBondContact O-N 3.47Å; D502-S506 WeakPolarHBondContact O-CB 3.49Å; D502-S506 PolarHBondContact O-N 3.45Å; D502-S506 PolarHBondContact O-OG 2.87Å; D502-V570 HydrophobicContact CB-CG1 4.31Å; D502-V570 HydrophobicContact CB-CG2 4.23Å; D502-V570 WeakPolarHBondContact OD1-CG2 3.38Å
503A84.9Confident76.7Confident6 Ų638.8 Ų38.85%0.0522%0.219CC..Hα-helixtrans-72.6-32.6177.500000112.5T453 D500 D501 L507 V1417T453-A503 HydrophobicContact CG2-CB 3.2Å; D500-A503 PolarHBondContact O-N 3.47Å; D501-A503 VanDerWaalsContact C-N 3.3Å; D501-A503 PolarHBondContact O-N 3.25Å; A503-L507 WeakPolarHBondContact O-CB 3.25Å; A503-L507 PolarHBondContact O-N 2.84Å; A503-V1417 HydrophobicContact CB-CG1 4.33Å
504V90.2Very high79.2Confident1 Ų134.6 Ų34.61%0.00620%0.197CC..Hα-helixtrans-69.2-40.8171.4166.80000111.1T460 I485 F486 D500 D501 L507 L508T460-V504 HydrophobicContact CG2-CG1 4.27Å; I485-V504 HydrophobicContact CG2-CG1 3.51Å; F486-V504 HydrophobicContact CE1-CB 4.48Å; F486-V504 HydrophobicContact CE1-CG1 3.72Å; F486-V504 HydrophobicContact CZ-CG1 3.97Å; D500-V504 WeakPolarHBondContact O-CG2 3.31Å; D500-V504 PolarHBondContact O-N 2.9Å; D500-V504 VanDerWaalsContact O-N 3.1Å; D501-V504 CarbonylContact O-C 3.57Å; D501-V504 WeakPolarHBondContact O-CA 3.47Å; D501-V504 WeakPolarHBondContact O-CB 3.24Å; D501-V504 PolarHBondContact O-N 3.4Å; V504-L507 PolarHBondContact O-N 3.39Å; V504-L508 HydrophobicContact CG1-CD1 4.07Å; V504-L508 WeakPolarHBondContact O-CB 3.26Å; V504-L508 VanDerWaalsContact O-CG 3.27Å; V504-L508 WeakPolarHBondContact O-CG 3.36Å; V504-L508 PolarHBondContact O-N 3.01Å
505V92.9Very high81.4Confident0 Ų033.3 Ų33.30%018%0.18CC..Hα-helixtrans-62.1-45.9173.7172.90000110.5D501 D502 L507 L508 C509 L530 F567 V570 L571D501-V505 VanDerWaalsContact O-CG2 3.22Å; D501-V505 WeakPolarHBondContact O-CG2 3.44Å; D501-V505 PolarHBondContact O-N 2.84Å; D502-V505 PolarHBondContact O-N 3.47Å; V505-L507 PolarHBondContact O-N 3.01Å; V505-L508 PolarHBondContact O-N 3.29Å; V505-C509 PolarHBondContact O-N 3.49Å; V505-C509 PolarHBondContact O-SG 3.5Å; V505-L530 HydrophobicContact CG1-CD1 4.13Å; V505-L530 HydrophobicContact CG1-CD2 4.43Å; V505-L530 HydrophobicContact CG2-CD2 3.79Å; V505-F567 HydrophobicContact CG1-CD1 4.41Å; V505-F567 HydrophobicContact CG2-CD1 3.68Å; V505-F567 HydrophobicContact CG2-CE1 3.72Å; V505-F567 HydrophobicContact CG2-CG 4.45Å; V505-F567 HydrophobicContact CG2-CZ 4.5Å; V505-V570 HydrophobicContact CB-CG1 4.09Å; V505-V570 HydrophobicContact CG1-CB 4.36Å; V505-V570 HydrophobicContact CG1-CG1 3.76Å; V505-L571 HydrophobicContact CG1-CD2 4.42Å
506S91.3Very high83.4Confident17 Ų1731.4 Ų31.412%0.11917%0.169CC..Hα-helixtrans-59.2-46.5176-58.80000111.4D502 L508 C509 E510D502-S506 WeakPolarHBondContact O-CB 3.49Å; D502-S506 PolarHBondContact O-N 3.45Å; D502-S506 PolarHBondContact O-OG 2.87Å; S506-L508 PolarHBondContact O-N 2.96Å; S506-C509 WeakPolarHBondContact O-CB 3.31Å; S506-C509 PolarHBondContact O-N 3.36Å; S506-E510 WeakPolarHBondContact O-CG 3.48Å; S506-E510 PolarHBondContact O-N 3.34Å
507L92Very high85.2Confident0 Ų023.1 Ų23.10%013%0.13CC..Hα-helixtrans-62.1-40.1175.3176.769.4000112.8V457 T460 L461 A503 V504 V505 C509 E510 W511 W1355V457-L507 HydrophobicContact CB-CD2 4.08Å; V457-L507 HydrophobicContact CG1-CD1 4.04Å; V457-L507 HydrophobicContact CG1-CD2 3.87Å; V457-L507 HydrophobicContact CG1-CG 4.47Å; V457-L507 HydrophobicContact CG2-CB 4.48Å; V457-L507 HydrophobicContact CG2-CD2 4.16Å; V457-L507 VanDerWaalsContact O-CD2 3.24Å; V457-L507 WeakPolarHBondContact O-CD2 3.2Å; T460-L507 HydrophobicContact CG2-CD2 3.84Å; L461-L507 HydrophobicContact CD1-CD1 3.86Å; L461-L507 HydrophobicContact CD1-CD2 4.48Å; L461-L507 HydrophobicContact CG-CD1 4.07Å; L461-L507 HydrophobicContact CG-CD2 4.18Å; A503-L507 WeakPolarHBondContact O-CB 3.25Å; A503-L507 PolarHBondContact O-N 2.84Å; V504-L507 PolarHBondContact O-N 3.39Å; V505-L507 PolarHBondContact O-N 3.01Å; L507-C509 VanDerWaalsContact C-N 3.29Å; L507-C509 PolarHBondContact O-N 2.81Å; L507-E510 PolarHBondContact O-N 3.24Å; L507-W511 VanDerWaalsContact O-CB 3.23Å; L507-W511 WeakPolarHBondContact O-CB 3.4Å; L507-W511 PolarHBondContact O-N 3.22Å; L507-W1355 HydrophobicContact CD1-CH2 4.37Å
508L95.4Very high86.4Confident0 Ų021.3 Ų21.30%012%0.122CC..Hα-helixtrans-62.2-40.2176.4-76165.8000110.6L464 F486 V504 V505 S506 W511 A512 V526 L529 L530L464-L508 HydrophobicContact CD1-CD2 3.95Å; L464-L508 HydrophobicContact CD2-CD2 4.4Å; F486-L508 HydrophobicContact CZ-CD1 4.06Å; V504-L508 HydrophobicContact CG1-CD1 4.07Å; V504-L508 WeakPolarHBondContact O-CB 3.26Å; V504-L508 VanDerWaalsContact O-CG 3.27Å; V504-L508 WeakPolarHBondContact O-CG 3.36Å; V504-L508 PolarHBondContact O-N 3.01Å; V505-L508 PolarHBondContact O-N 3.29Å; S506-L508 PolarHBondContact O-N 2.96Å; L508-W511 WeakPolarHBondContact O-CB 3.35Å; L508-W511 PolarHBondContact O-N 3.43Å; L508-A512 PolarHBondContact O-N 3.02Å; L508-V526 HydrophobicContact CB-CG1 3.95Å; L508-V526 HydrophobicContact CB-CG2 3.99Å; L508-V526 HydrophobicContact CD2-CG2 4.11Å; L508-V526 WeakPolarHBondContact O-CG2 3.49Å; L508-L529 HydrophobicContact CD2-CD1 4.13Å; L508-L530 HydrophobicContact CD1-CD2 4.15Å
509C95.7Very high87.4Confident0 Ų020.5 Ų20.50%012%0.123CC..Hα-helixtrans-65.4-50.1174.5-61.30000112V505 S506 L507 W511 A512 V513 L571 F574 L600V505-C509 PolarHBondContact O-N 3.49Å; V505-C509 PolarHBondContact O-SG 3.5Å; S506-C509 WeakPolarHBondContact O-CB 3.31Å; S506-C509 PolarHBondContact O-N 3.36Å; L507-C509 VanDerWaalsContact C-N 3.29Å; L507-C509 PolarHBondContact O-N 2.81Å; C509-W511 PolarHBondContact O-N 3.37Å; C509-A512 PolarHBondContact O-N 2.76Å; C509-V513 WeakPolarHBondContact O-CB 3.4Å; C509-V513 VanDerWaalsContact O-CG2 3.25Å; C509-V513 WeakPolarHBondContact O-CG2 3.44Å; C509-V513 PolarHBondContact O-N 3.18Å; C509-L571 WeakPolarHBondContact SG-CD2 3.34Å; C509-F574 HydrophobicContact CB-CD1 3.99Å; C509-F574 HydrophobicContact CB-CD2 3.84Å; C509-F574 HydrophobicContact CB-CE1 3.8Å; C509-F574 HydrophobicContact CB-CE2 3.67Å; C509-F574 HydrophobicContact CB-CG 4.02Å; C509-F574 HydrophobicContact CB-CZ 3.64Å; C509-L600 HydrophobicContact CB-CD2 4.04Å
510E93.2Very high88.5Confident26 Ų2621.4 Ų21.412%0.12112%0.116CC..Hα-helixtrans-57.5-37173.5-70.2-176.3160.600112.6S506 L507 S514 F574 Q1354 W1355 R1423S506-E510 WeakPolarHBondContact O-CG 3.48Å; S506-E510 PolarHBondContact O-N 3.34Å; L507-E510 PolarHBondContact O-N 3.24Å; E510-S514 WeakPolarHBondContact O-CB 3.34Å; E510-S514 PolarHBondContact O-N 3.11Å; E510-F574 HydrophobicContact CG-CE2 3.89Å; E510-Q1354 PolarHBondContact OE2-NE2 3.46Å; E510-W1355 HydrophobicContact CB-CH2 4.29Å; E510-W1355 HydrophobicContact CB-CZ2 3.95Å; E510-R1423 IonicContact OE1-CZ 3.3Å; E510-R1423 VanDerWaalsContact OE1-CZ 3.27Å; E510-R1423 IonicContact OE1-NH1 2.72Å; E510-R1423 PolarHBondContact OE1-NH1 2.97Å; E510-R1423 IonicContact OE1-NH2 2.71Å; E510-R1423 PolarHBondContact OE1-NH2 3.3Å; E510-R1423 IonicContact OE2-CZ 3.05Å; E510-R1423 IonicContact OE2-NH1 3.71Å; E510-R1423 IonicContact OE2-NH2 3.7Å; E510-R1423 PolarHBondContact OE2-NH2 3.36Å
511W94.7Very high89.6Confident7 Ų721.3 Ų21.33%0.02712%0.115CC..Hα-helixtrans-60.9-67.8174.7-176.485.7000108.4L464 F469 L507 L508 C509 V513 S514 R522 V525 V526 W1355L464-W511 HydrophobicContact CB-CZ2 4.13Å; L464-W511 HydrophobicContact CD1-CD2 4.01Å; L464-W511 HydrophobicContact CD1-CG 4.05Å; L464-W511 HydrophobicContact CD2-CH2 4.08Å; L464-W511 HydrophobicContact CD2-CZ2 4.11Å; L464-W511 HydrophobicContact CD2-CZ3 4.3Å; F469-W511 HydrophobicContact CE2-CH2 4.03Å; F469-W511 HydrophobicContact CE2-CZ2 4.13Å; F469-W511 AromaticContact CZ-CH2 3.94Å; F469-W511 HydrophobicContact CZ-CH2 3.94Å; F469-W511 HydrophobicContact CZ-CZ2 4.36Å; L507-W511 VanDerWaalsContact O-CB 3.23Å; L507-W511 WeakPolarHBondContact O-CB 3.4Å; L507-W511 PolarHBondContact O-N 3.22Å; L508-W511 WeakPolarHBondContact O-CB 3.35Å; L508-W511 PolarHBondContact O-N 3.43Å; C509-W511 PolarHBondContact O-N 3.37Å; W511-V513 PolarHBondContact O-N 2.75Å; W511-S514 PolarHBondContact O-N 3.23Å; W511-R522 HydrophobicContact CE3-CB 3.97Å; W511-R522 HydrophobicContact CE3-CG 4.43Å; W511-R522 HydrophobicContact CH2-CB 3.84Å; W511-R522 HydrophobicContact CH2-CG 3.59Å; W511-R522 HydrophobicContact CZ2-CG 3.99Å; W511-R522 HydrophobicContact CZ3-CB 3.51Å; W511-R522 HydrophobicContact CZ3-CG 3.84Å; W511-R522 PolarHBondContact O-NH1 3.09Å; W511-R522 VanDerWaalsContact O-NH1 3.07Å; W511-R522 PolarHBondContact O-NH2 2.84Å; W511-V525 HydrophobicContact CH2-CG1 4.33Å; W511-V525 HydrophobicContact CZ3-CB 4.26Å; W511-V525 HydrophobicContact CZ3-CG1 4.1Å; W511-V526 HydrophobicContact CE3-CG2 3.83Å; W511-V526 HydrophobicContact CZ3-CG2 4.11Å; W511-W1355 HydrophobicContact CB-CH2 4.13Å; W511-W1355 HydrophobicContact CB-CZ3 4.44Å
512A95.1Very high90.2Very high4 Ų421 Ų213%0.03311%0.113CC..Hα-helixtrans-51.7-30.4-176.200000114.2L508 C509 R522 V526 L600L508-A512 PolarHBondContact O-N 3.02Å; C509-A512 PolarHBondContact O-N 2.76Å; A512-R522 HydrophobicContact CB-CB 4.47Å; A512-V526 HydrophobicContact CB-CB 4.33Å; A512-V526 HydrophobicContact CB-CG2 3.85Å; A512-L600 HydrophobicContact CB-CD1 3.92Å; A512-L600 HydrophobicContact CB-CD2 4.2Å; A512-L600 HydrophobicContact CB-CG 4.44Å
513V94.3Very high90.7Very high7 Ų719.4 Ų19.44%0.04211%0.105CC..Hα-helixtrans-76.9-46.4176.21700000114C509 W511 F574 P580 E593 N596 L597 L600C509-V513 WeakPolarHBondContact O-CB 3.4Å; C509-V513 VanDerWaalsContact O-CG2 3.25Å; C509-V513 WeakPolarHBondContact O-CG2 3.44Å; C509-V513 PolarHBondContact O-N 3.18Å; W511-V513 PolarHBondContact O-N 2.75Å; V513-F574 HydrophobicContact CG2-CE1 4.47Å; V513-F574 HydrophobicContact CG2-CZ 4.24Å; V513-P580 HydrophobicContact CG1-CG 3.56Å; V513-E593 HydrophobicContact CG1-CB 4.14Å; V513-N596 VanDerWaalsContact O-CB 3.28Å; V513-N596 WeakPolarHBondContact O-CB 3.43Å; V513-N596 PolarHBondContact O-ND2 2.72Å; V513-L597 HydrophobicContact CG2-CB 4.04Å; V513-L597 HydrophobicContact CG2-CD1 3.87Å; V513-L600 HydrophobicContact CG2-CD2 3.94Å
514S90Very high91.1Very high11 Ų1119.7 Ų19.78%0.07711%0.105CC..  trans-71.6141.1-160.8-174.50000115.4E510 W511 K516 R522 E593E510-S514 WeakPolarHBondContact O-CB 3.34Å; E510-S514 PolarHBondContact O-N 3.11Å; W511-S514 PolarHBondContact O-N 3.23Å; S514-K516 PolarHBondContact O-N 2.68Å; S514-K516 VanDerWaalsContact O-N 3.17Å; S514-K516 PolarHBondContact OG-N 3.08Å; S514-R522 PolarHBondContact O-NH1 2.85Å; S514-E593 VanDerWaalsContact CA-OE1 3.31Å; S514-E593 WeakPolarHBondContact CA-OE1 3.45Å; S514-E593 PolarHBondContact OG-OE1 2.97Å; S514-E593 VanDerWaalsContact OG-OE1 3.06Å
515C85.8Confident91.4Very high24 Ų2419.6 Ų19.616%0.16211%0.105CC..THydrogen-bonded Turntrans-70.64.8173.6680000115R517 E593C515-R517 VanDerWaalsContact C-N 3.3Å; C515-E593 HydrophobicContact CB-CG 3.86Å; C515-E593 PolarHBondContact N-OE1 3.42Å; C515-E593 PolarHBondContact SG-OE1 3.09Å
516K83.1Confident91.6Very high116 Ų11619.6 Ų19.650%0.50411%0.105SC..THydrogen-bonded Turntrans-874.3179.1-54.3-49.3175.7-139.70114.2S514 W1355S514-K516 PolarHBondContact O-N 2.68Å; S514-K516 VanDerWaalsContact O-N 3.17Å; S514-K516 PolarHBondContact OG-N 3.08Å; K516-W1355 HydrophobicContact CB-CB 4.02Å; K516-W1355 HydrophobicContact CB-CD2 4.37Å; K516-W1355 HydrophobicContact CB-CE3 4.42Å; K516-W1355 HydrophobicContact CB-CG 4.2Å; K516-W1355 HydrophobicContact CG-CB 4.1Å; K516-W1355 HydrophobicContact CG-CG 4.13Å
517R85.7Confident91.9Very high16 Ų1618.8 Ų18.86%0.0610%0.099CC..SBendtrans-155.6149.4179.8-63.4-65.2-178.5-81.81.1107.3D465 C515 R522 E1295 W1355D465-R517 IonicContact OD1-CZ 3.26Å; D465-R517 IonicContact OD1-NE 2.98Å; D465-R517 PolarHBondContact OD1-NE 3.27Å; D465-R517 IonicContact OD1-NH2 3.41Å; D465-R517 IonicContact OD2-CZ 3.16Å; D465-R517 IonicContact OD2-NE 2.77Å; D465-R517 PolarHBondContact OD2-NE 3.26Å; D465-R517 IonicContact OD2-NH2 4Å; D465-R517 PolarHBondContact OD2-NH2 2.77Å; C515-R517 VanDerWaalsContact C-N 3.3Å; R517-R522 VanDerWaalsContact CB-NH2 3.33Å; R517-R522 PolarHBondContact O-NH1 3.36Å; R517-R522 VanDerWaalsContact O-NH1 3.08Å; R517-E1295 WeakPolarHBondContact CA-OE1 3.19Å; R517-E1295 VanDerWaalsContact CB-OE1 3.31Å; R517-E1295 WeakPolarHBondContact CB-OE1 3.37Å; R517-E1295 WeakPolarHBondContact CD-OE1 3.32Å; R517-W1355 PolarHBondContact NH1-O 2.83Å; R517-W1355 PolarHBondContact NH2-O 3.38Å; R517-W1355 VanDerWaalsContact NH2-O 3.16Å
518S82.5Confident92Very high18 Ų1820.2 Ų20.213%0.12611%0.105CC..  trans-110.7165.4-166.781.10000113.8R522 E1295S518-R522 WeakPolarHBondContact O-CD 3.35Å; S518-E1295 WeakPolarHBondContact CA-OE2 2.99Å; S518-E1295 VanDerWaalsContact CB-OE2 3.24Å; S518-E1295 WeakPolarHBondContact CB-OE2 3.46Å; S518-E1295 PolarHBondContact N-OE1 3.15Å; S518-E1295 PolarHBondContact N-OE2 3.47Å; S518-E1295 PolarHBondContact OG-OE2 2.92Å
519G85.8Confident92Very high39 Ų3920.2 Ų20.240%0.40211%0.105SC..  trans93.8134.1171.300000114.9H521 R522G519-H521 VanDerWaalsContact C-N 3.32Å; G519-H521 PolarHBondContact O-N 3.49Å; G519-R522 VanDerWaalsContact O-CD 3.29Å; G519-R522 WeakPolarHBondContact O-CD 3.4Å; G519-R522 VanDerWaalsContact O-CG 3.23Å; G519-R522 WeakPolarHBondContact O-CG 3.42Å
520R88.3Confident92Very high81 Ų8120.2 Ų20.231%0.30611%0.105SC..THydrogen-bonded Turntrans-75.3-16.2-172.6-65156.8177.7158.9-5.1114.3R522 L599 E882 I887 Y934R520-R522 PolarHBondContact O-N 2.88Å; R520-R522 VanDerWaalsContact O-N 3.11Å; R520-L599 HydrophobicContact CB-CD2 3.96Å; R520-L599 HydrophobicContact CG-CD2 4.4Å; R520-E882 IonicContact CZ-OE1 2.94Å; R520-E882 IonicContact NH1-OE1 3.19Å; R520-E882 PolarHBondContact NH1-OE1 3.1Å; R520-E882 IonicContact NH2-OE1 2.83Å; R520-I887 HydrophobicContact CB-CD1 3.56Å; R520-I887 HydrophobicContact CG-CD1 3.99Å; R520-Y934 HydrophobicContact CB-CE1 4.36Å; R520-Y934 WeakPolarHBondContact CD-OH 3.29Å; R520-Y934 PolarHBondContact NH1-OH 2.82Å
521H92.5Very high92.1Very high26 Ų2622.3 Ų22.312%0.1212%0.115CC..Hα-helixtrans-59-22.7177.866.4-89.7000113.4F469 G519 A523 M524 V525 A936 C937F469-H521 AromaticContact CD2-NE2 3.45Å; F469-H521 WeakPolarHBondContact CD2-NE2 3.47Å; F469-H521 AromaticContact CG-CD2 3.64Å; F469-H521 AromaticContact CG-NE2 3.54Å; G519-H521 VanDerWaalsContact C-N 3.32Å; G519-H521 PolarHBondContact O-N 3.49Å; H521-A523 VanDerWaalsContact C-N 3.34Å; H521-A523 PolarHBondContact O-N 2.99Å; H521-M524 PolarHBondContact O-N 3.04Å; H521-M524 VanDerWaalsContact O-N 3.15Å; H521-V525 WeakPolarHBondContact O-CG2 3.3Å; H521-V525 PolarHBondContact O-N 3.31Å; H521-A936 HydrophobicContact CB-CB 3.99Å; H521-A936 WeakPolarHBondContact CB-O 3.46Å; H521-C937 VanDerWaalsContact CA-SG 3.55Å
522R95Very high92Very high5 Ų524.7 Ų24.72%0.01913%0.126CC..Hα-helixtrans-61.8-37.9-172.9-60.9174.366.3-137.94.5112.9W511 A512 S514 R517 S518 G519 R520 V525 V526W511-R522 HydrophobicContact CE3-CB 3.97Å; W511-R522 HydrophobicContact CE3-CG 4.43Å; W511-R522 HydrophobicContact CH2-CB 3.84Å; W511-R522 HydrophobicContact CH2-CG 3.59Å; W511-R522 HydrophobicContact CZ2-CG 3.99Å; W511-R522 HydrophobicContact CZ3-CB 3.51Å; W511-R522 HydrophobicContact CZ3-CG 3.84Å; W511-R522 PolarHBondContact O-NH1 3.09Å; W511-R522 VanDerWaalsContact O-NH1 3.07Å; W511-R522 PolarHBondContact O-NH2 2.84Å; A512-R522 HydrophobicContact CB-CB 4.47Å; S514-R522 PolarHBondContact O-NH1 2.85Å; R517-R522 VanDerWaalsContact CB-NH2 3.33Å; R517-R522 PolarHBondContact O-NH1 3.36Å; R517-R522 VanDerWaalsContact O-NH1 3.08Å; S518-R522 WeakPolarHBondContact O-CD 3.35Å; G519-R522 VanDerWaalsContact O-CD 3.29Å; G519-R522 WeakPolarHBondContact O-CD 3.4Å; G519-R522 VanDerWaalsContact O-CG 3.23Å; G519-R522 WeakPolarHBondContact O-CG 3.42Å; R520-R522 PolarHBondContact O-N 2.88Å; R520-R522 VanDerWaalsContact O-N 3.11Å; R522-V525 PolarHBondContact O-N 3.36Å; R522-V526 WeakPolarHBondContact O-CG2 3.25Å; R522-V526 PolarHBondContact O-N 3.33Å; R522-V526 VanDerWaalsContact O-N 3.08Å
523A95.3Very high91.8Very high3 Ų326.2 Ų26.23%0.02513%0.131CC..Hα-helixtrans-60.7-48.8172.900000112.5H521 V525 V526 A527 L599 L600 E603H521-A523 VanDerWaalsContact C-N 3.34Å; H521-A523 PolarHBondContact O-N 2.99Å; A523-V525 PolarHBondContact O-N 3.45Å; A523-V526 PolarHBondContact O-N 2.94Å; A523-A527 PolarHBondContact O-N 2.69Å; A523-L599 HydrophobicContact CB-CB 4.38Å; A523-L599 HydrophobicContact CB-CD2 3.9Å; A523-L599 HydrophobicContact CB-CG 3.64Å; A523-L600 HydrophobicContact CB-CB 4.35Å; A523-E603 HydrophobicContact CB-CG 4.49Å
524M95.2Very high91.7Very high12 Ų1226.8 Ų26.86%0.05913%0.133CC..Hα-helixtrans-66.1-36179.1-61.7172.770.200112.2H521 K528 E603 I887 S888 C937 L940H521-M524 PolarHBondContact O-N 3.04Å; H521-M524 VanDerWaalsContact O-N 3.15Å; M524-K528 WeakPolarHBondContact O-CB 3.47Å; M524-K528 WeakPolarHBondContact O-CG 3.48Å; M524-K528 PolarHBondContact O-N 3.17Å; M524-E603 HydrophobicContact CG-CG 3.81Å; M524-I887 HydrophobicContact SD-CG2 4.45Å; M524-S888 WeakPolarHBondContact CE-OG 3.43Å; M524-C937 HydrophobicContact CE-CB 4.06Å; M524-C937 HydrophobicContact SD-CB 3.57Å; M524-C937 VanDerWaalsContact SD-CB 3.57Å; M524-C937 VanDerWaalsContact SD-SG 3.61Å; M524-L940 HydrophobicContact CB-CD1 3.6Å
525V96.1Very high91.8Very high0 Ų028.9 Ų28.90%015%0.15CC..Hα-helixtrans-60.6-47.3172.6168.50000110.7F469 L481 W511 H521 R522 A523 L529 L940F469-V525 HydrophobicContact CD1-CG2 3.73Å; F469-V525 HydrophobicContact CE1-CB 4.35Å; F469-V525 HydrophobicContact CE1-CG1 3.84Å; F469-V525 HydrophobicContact CE1-CG2 3.55Å; F469-V525 HydrophobicContact CZ-CG1 4.24Å; F469-V525 HydrophobicContact CZ-CG2 4.43Å; L481-V525 HydrophobicContact CD2-CG1 4.05Å; W511-V525 HydrophobicContact CH2-CG1 4.33Å; W511-V525 HydrophobicContact CZ3-CB 4.26Å; W511-V525 HydrophobicContact CZ3-CG1 4.1Å; H521-V525 WeakPolarHBondContact O-CG2 3.3Å; H521-V525 PolarHBondContact O-N 3.31Å; R522-V525 PolarHBondContact O-N 3.36Å; A523-V525 PolarHBondContact O-N 3.45Å; V525-L529 HydrophobicContact CG1-CD1 3.81Å; V525-L529 HydrophobicContact CG1-CG 4.35Å; V525-L529 WeakPolarHBondContact O-CB 3.49Å; V525-L529 VanDerWaalsContact O-CG 3.24Å; V525-L529 WeakPolarHBondContact O-CG 3.3Å; V525-L529 PolarHBondContact O-N 2.81Å; V525-L940 HydrophobicContact CG2-CD1 3.76Å; V525-L940 HydrophobicContact CG2-CD2 3.74Å; V525-L940 HydrophobicContact CG2-CG 4.41Å
526V97Very high91.9Very high0 Ų030 Ų300%015%0.153CC..Hα-helixtrans-66.3-46.6-179.8171.10000111.3L508 W511 A512 R522 A523 K528 L529 L530 L600L508-V526 HydrophobicContact CB-CG1 3.95Å; L508-V526 HydrophobicContact CB-CG2 3.99Å; L508-V526 HydrophobicContact CD2-CG2 4.11Å; L508-V526 WeakPolarHBondContact O-CG2 3.49Å; W511-V526 HydrophobicContact CE3-CG2 3.83Å; W511-V526 HydrophobicContact CZ3-CG2 4.11Å; A512-V526 HydrophobicContact CB-CB 4.33Å; A512-V526 HydrophobicContact CB-CG2 3.85Å; R522-V526 WeakPolarHBondContact O-CG2 3.25Å; R522-V526 PolarHBondContact O-N 3.33Å; R522-V526 VanDerWaalsContact O-N 3.08Å; A523-V526 PolarHBondContact O-N 2.94Å; V526-K528 PolarHBondContact O-N 3.31Å; V526-L529 PolarHBondContact O-N 3.41Å; V526-L530 HydrophobicContact CG1-CD1 4.03Å; V526-L530 HydrophobicContact CG1-CG 4.4Å; V526-L530 WeakPolarHBondContact O-CG 3.37Å; V526-L530 PolarHBondContact O-N 2.98Å; V526-L600 HydrophobicContact CB-CD1 4Å; V526-L600 HydrophobicContact CG1-CD1 3.79Å
527A96.4Very high92Very high0 Ų025.2 Ų25.20%013%0.133CC..Hα-helixtrans-56.1-49.2177.200000111.9A523 L530 E531 E603 L604A523-A527 PolarHBondContact O-N 2.69Å; A527-L530 PolarHBondContact O-N 3.15Å; A527-E531 VanDerWaalsContact O-CB 3.3Å; A527-E531 WeakPolarHBondContact O-CB 3.34Å; A527-E531 PolarHBondContact O-N 3.23Å; A527-E603 HydrophobicContact CB-CB 3.69Å; A527-L604 HydrophobicContact CB-CD2 4.28Å
528K95.2Very high92Very high29 Ų2928.3 Ų28.313%0.12615%0.148CC..Hα-helixtrans-70.2-29.9179.2-71.9172.5161.4-87.20114.4L478 M524 V526 K532 L940L478-K528 HydrophobicContact CD2-CB 3.73Å; M524-K528 WeakPolarHBondContact O-CB 3.47Å; M524-K528 WeakPolarHBondContact O-CG 3.48Å; M524-K528 PolarHBondContact O-N 3.17Å; V526-K528 PolarHBondContact O-N 3.31Å; K528-K532 WeakPolarHBondContact O-CB 3.3Å; K528-K532 PolarHBondContact O-N 3.33Å; K528-L940 HydrophobicContact CD-CB 3.95Å; K528-L940 WeakPolarHBondContact CE-O 3.33Å; K528-L940 PolarHBondContact NZ-O 3.07Å; K528-L940 VanDerWaalsContact NZ-O 3.13Å
529L95.4Very high92.1Very high0 Ų030.6 Ų30.60%017%0.168CC..Hα-helixtrans-67-40.8172.2-78.7173.3000111.3L478 L481 C482 I485 L508 V525 V526 R533L478-L529 HydrophobicContact CD1-CD2 3.87Å; L478-L529 HydrophobicContact CD1-CG 3.95Å; L478-L529 HydrophobicContact CG-CD2 4.33Å; L481-L529 HydrophobicContact CB-CD2 4.42Å; L481-L529 HydrophobicContact CD2-CD1 4.08Å; L481-L529 HydrophobicContact CD2-CD2 4.4Å; L481-L529 HydrophobicContact CG-CD1 4.28Å; L481-L529 HydrophobicContact CG-CD2 4.17Å; C482-L529 HydrophobicContact CB-CD2 3.88Å; I485-L529 HydrophobicContact CD1-CD1 3.97Å; L508-L529 HydrophobicContact CD2-CD1 4.13Å; V525-L529 HydrophobicContact CG1-CD1 3.81Å; V525-L529 HydrophobicContact CG1-CG 4.35Å; V525-L529 WeakPolarHBondContact O-CB 3.49Å; V525-L529 VanDerWaalsContact O-CG 3.24Å; V525-L529 WeakPolarHBondContact O-CG 3.3Å; V525-L529 PolarHBondContact O-N 2.81Å; V526-L529 PolarHBondContact O-N 3.41Å; L529-R533 WeakPolarHBondContact O-CB 3.29Å; L529-R533 PolarHBondContact O-N 3.28Å
530L95.5Very high91.6Very high0 Ų034.9 Ų34.90%018%0.178CC..Hα-helixtrans-76.7-38.5179.3-62.7-176.4000112.4F486 V505 L508 V526 A527 K532 R533 Q534 F567 L604 V609F486-L530 HydrophobicContact CZ-CD2 4.29Å; V505-L530 HydrophobicContact CG1-CD1 4.13Å; V505-L530 HydrophobicContact CG1-CD2 4.43Å; V505-L530 HydrophobicContact CG2-CD2 3.79Å; L508-L530 HydrophobicContact CD1-CD2 4.15Å; V526-L530 HydrophobicContact CG1-CD1 4.03Å; V526-L530 HydrophobicContact CG1-CG 4.4Å; V526-L530 WeakPolarHBondContact O-CG 3.37Å; V526-L530 PolarHBondContact O-N 2.98Å; A527-L530 PolarHBondContact O-N 3.15Å; L530-K532 VanDerWaalsContact C-N 3.35Å; L530-K532 PolarHBondContact O-N 3.02Å; L530-R533 PolarHBondContact O-N 3.4Å; L530-Q534 VanDerWaalsContact O-CB 3.25Å; L530-Q534 WeakPolarHBondContact O-CB 3.33Å; L530-Q534 PolarHBondContact O-N 3.04Å; L530-F567 HydrophobicContact CB-CD2 4.18Å; L530-F567 HydrophobicContact CB-CE2 4.32Å; L530-F567 HydrophobicContact CD2-CD2 4.41Å; L530-F567 HydrophobicContact CD2-CE2 4.29Å; L530-L604 HydrophobicContact CD1-CD2 4.02Å; L530-V609 HydrophobicContact CB-CG1 3.64Å; L530-V609 HydrophobicContact CB-CG2 4.31Å; L530-V609 HydrophobicContact CD1-CG1 4.21Å
531E95Very high90.9Very high71 Ų7138 Ų3833%0.33219%0.189SC..Hα-helixtrans-51.1-53167.3173.1-171-130.500110.7A527 Q534 A535 H607 V609A527-E531 VanDerWaalsContact O-CB 3.3Å; A527-E531 WeakPolarHBondContact O-CB 3.34Å; A527-E531 PolarHBondContact O-N 3.23Å; E531-Q534 PolarHBondContact O-N 3.31Å; E531-A535 PolarHBondContact O-N 3.29Å; E531-H607 HydrophobicContact CB-CB 4.33Å; E531-H607 IonicContact OE1-CE1 2.65Å; E531-H607 IonicContact OE1-CG 2.78Å; E531-H607 IonicContact OE1-ND1 2.7Å; E531-H607 PolarHBondContact OE1-ND1 3.4Å; E531-H607 IonicContact OE2-CE1 2.67Å; E531-H607 IonicContact OE2-ND1 3.52Å; E531-H607 PolarHBondContact OE2-ND1 3.23Å; E531-V609 HydrophobicContact CB-CG2 4.1Å
532K92.3Very high89.5Confident56 Ų5641 Ų4124%0.24321%0.212CC..Hα-helixtrans-64.3-44.3179.5-170.6179.8178.8-171.50112D479 C482 K528 L530 Q534 A535 E536D479-K532 IonicContact OD1-NZ 2.71Å; D479-K532 PolarHBondContact OD1-NZ 3.25Å; C482-K532 HydrophobicContact CB-CD 4.2Å; K528-K532 WeakPolarHBondContact O-CB 3.3Å; K528-K532 PolarHBondContact O-N 3.33Å; L530-K532 VanDerWaalsContact C-N 3.35Å; L530-K532 PolarHBondContact O-N 3.02Å; K532-Q534 VanDerWaalsContact C-N 3.31Å; K532-Q534 PolarHBondContact O-N 2.93Å; K532-A535 PolarHBondContact O-N 3.3Å; K532-E536 WeakPolarHBondContact CE-OE1 3.44Å; K532-E536 IonicContact NZ-OE1 3.42Å; K532-E536 WeakPolarHBondContact O-CG 3.19Å; K532-E536 PolarHBondContact O-N 3.45Å
533R92Very high87.7Confident37 Ų3743.5 Ų43.514%0.1424%0.24CC..Hα-helixtrans-65.8-33.6179.5-174.160.7177.8138.78.1112.2F486 D501 L529 L530 E536 I537 F567F486-R533 HydrophobicContact CD1-CG 4.05Å; F486-R533 HydrophobicContact CD2-CB 4.2Å; F486-R533 HydrophobicContact CD2-CG 4.03Å; F486-R533 HydrophobicContact CE1-CG 4.08Å; F486-R533 HydrophobicContact CE2-CB 4.03Å; F486-R533 HydrophobicContact CE2-CG 4.06Å; F486-R533 HydrophobicContact CG-CG 4.03Å; F486-R533 HydrophobicContact CZ-CB 4.37Å; F486-R533 HydrophobicContact CZ-CG 4.08Å; D501-R533 IonicContact OD2-CZ 3.63Å; D501-R533 IonicContact OD2-NE 2.63Å; D501-R533 PolarHBondContact OD2-NE 3.47Å; D501-R533 IonicContact OD2-NH2 2.7Å; D501-R533 PolarHBondContact OD2-NH2 2.91Å; L529-R533 WeakPolarHBondContact O-CB 3.29Å; L529-R533 PolarHBondContact O-N 3.28Å; L530-R533 PolarHBondContact O-N 3.4Å; R533-E536 WeakPolarHBondContact CD-OE2 3.45Å; R533-E536 IonicContact NH1-OE2 3.93Å; R533-E536 PolarHBondContact O-N 3.14Å; R533-I537 HydrophobicContact CG-CD1 4.15Å; R533-I537 WeakPolarHBondContact O-CD1 3.47Å; R533-I537 VanDerWaalsContact O-CG1 3.28Å; R533-I537 WeakPolarHBondContact O-CG1 3.45Å; R533-I537 PolarHBondContact O-N 2.76Å; R533-I537 VanDerWaalsContact O-N 3.12Å; R533-F567 HydrophobicContact CB-CE2 4.4Å; R533-F567 HydrophobicContact CB-CZ 4.3Å; R533-F567 HydrophobicContact CG-CE2 4.48Å; R533-F567 HydrophobicContact CG-CZ 3.9Å
534Q92.4Very high85.3Confident19 Ų1950.5 Ų50.59%0.08927%0.272CS..Hα-helixtrans-62.5-49.9171.5175162.5-69.400110.7L530 E531 K532 E536 I537 E538 I566 F567 D608L530-Q534 VanDerWaalsContact O-CB 3.25Å; L530-Q534 WeakPolarHBondContact O-CB 3.33Å; L530-Q534 PolarHBondContact O-N 3.04Å; E531-Q534 PolarHBondContact O-N 3.31Å; K532-Q534 VanDerWaalsContact C-N 3.31Å; K532-Q534 PolarHBondContact O-N 2.93Å; Q534-E536 VanDerWaalsContact C-N 3.33Å; Q534-E536 PolarHBondContact O-N 3.26Å; Q534-I537 PolarHBondContact O-N 3.36Å; Q534-E538 VanDerWaalsContact CG-OE1 3.31Å; Q534-E538 WeakPolarHBondContact CG-OE1 3.37Å; Q534-E538 PolarHBondContact O-N 3.49Å; Q534-I566 HydrophobicContact CG-CB 4.16Å; Q534-I566 HydrophobicContact CG-CD1 3.99Å; Q534-I566 HydrophobicContact CG-CG1 3.94Å; Q534-F567 HydrophobicContact CB-CE2 4.11Å; Q534-D608 PolarHBondContact NE2-O 2.9Å; Q534-D608 VanDerWaalsContact NE2-O 3.12Å
535A90.5Very high83Confident54 Ų5454 Ų5445%0.44630%0.298SS..Hα-helixtrans-62.5-34.9176.800000113.5E531 K532 A539E531-A535 PolarHBondContact O-N 3.29Å; K532-A535 PolarHBondContact O-N 3.3Å; A535-A539 WeakPolarHBondContact O-CB 3.26Å; A535-A539 PolarHBondContact O-N 3.03Å
536E88Confident80.4Confident48 Ų4863.4 Ų63.422%0.22434%0.342CS..Hα-helixtrans-61.8-47.7172.2-74.2169.4-172.600111.4K532 R533 Q534 A539 E540K532-E536 WeakPolarHBondContact CE-OE1 3.44Å; K532-E536 IonicContact NZ-OE1 3.42Å; K532-E536 WeakPolarHBondContact O-CG 3.19Å; K532-E536 PolarHBondContact O-N 3.45Å; R533-E536 WeakPolarHBondContact CD-OE2 3.45Å; R533-E536 IonicContact NH1-OE2 3.93Å; R533-E536 PolarHBondContact O-N 3.14Å; Q534-E536 VanDerWaalsContact C-N 3.33Å; Q534-E536 PolarHBondContact O-N 3.26Å; E536-A539 PolarHBondContact O-N 3.41Å; E536-E540 WeakPolarHBondContact O-CG 3.49Å; E536-E540 PolarHBondContact O-N 3.13Å
537I85.6Confident77.7Confident16 Ų1668.3 Ų68.38%0.08238%0.383CS..Hα-helixtrans-69.3-34.2179.8-63.5163.3000111.6R533 Q534 R541 I566 F567R533-I537 HydrophobicContact CG-CD1 4.15Å; R533-I537 WeakPolarHBondContact O-CD1 3.47Å; R533-I537 VanDerWaalsContact O-CG1 3.28Å; R533-I537 WeakPolarHBondContact O-CG1 3.45Å; R533-I537 PolarHBondContact O-N 2.76Å; R533-I537 VanDerWaalsContact O-N 3.12Å; Q534-I537 PolarHBondContact O-N 3.36Å; I537-R541 WeakPolarHBondContact O-CG 3.27Å; I537-R541 PolarHBondContact O-N 3.03Å; I537-R541 VanDerWaalsContact O-N 3.07Å; I537-I566 HydrophobicContact CB-CD1 3.85Å; I537-I566 HydrophobicContact CD1-CG2 4.26Å; I537-I566 HydrophobicContact CG2-CD1 3.69Å; I537-F567 HydrophobicContact CD1-CZ 4.19Å
538E85.8Confident74.9Confident81 Ų8172.4 Ų72.438%0.37942%0.416SS..Hα-helixtrans-66.2-42.9172.2-88.8156.5-149.900112.3Q534 E540 R541 C542 I566Q534-E538 VanDerWaalsContact CG-OE1 3.31Å; Q534-E538 WeakPolarHBondContact CG-OE1 3.37Å; Q534-E538 PolarHBondContact O-N 3.49Å; E538-E540 VanDerWaalsContact C-N 3.35Å; E538-E540 PolarHBondContact O-N 2.99Å; E538-R541 PolarHBondContact O-N 3.34Å; E538-C542 PolarHBondContact O-N 3.46Å; E538-I566 HydrophobicContact CG-CD1 4.11Å
539A84.4Confident72.3Confident65 Ų6578 Ų7854%0.53745%0.448SS..Hα-helixtrans-62.6-40.8175.100000112.1A535 E536 R541 C542 G543A535-A539 WeakPolarHBondContact O-CB 3.26Å; A535-A539 PolarHBondContact O-N 3.03Å; E536-A539 PolarHBondContact O-N 3.41Å; A539-R541 PolarHBondContact O-N 3.47Å; A539-C542 PolarHBondContact O-N 3.48Å; A539-G543 PolarHBondContact O-N 3.05Å; A539-G543 VanDerWaalsContact O-N 3.09Å
540E76.7Confident69.6Low129 Ų12987.2 Ų87.260%0.60349%0.491SS*.Hα-helixtrans-59.7-42.7172.8-74.4174.7179.300111.8E536 E538E536-E540 WeakPolarHBondContact O-CG 3.49Å; E536-E540 PolarHBondContact O-N 3.13Å; E538-E540 VanDerWaalsContact C-N 3.35Å; E538-E540 PolarHBondContact O-N 2.99Å
541R71.7Confident67.1Low146 Ų14696.4 Ų96.455%0.55153%0.531SS*.Hα-helixtrans-67.3-37.9176.7-73.1172.8179.8-170.61.2113.5I537 E538 A539I537-R541 WeakPolarHBondContact O-CG 3.27Å; I537-R541 PolarHBondContact O-N 3.03Å; I537-R541 VanDerWaalsContact O-N 3.07Å; E538-R541 PolarHBondContact O-N 3.34Å; A539-R541 PolarHBondContact O-N 3.47Å
542C63.9Low64.3Low89 Ų8996.9 Ų96.960%0.60155%0.554SS**Hα-helixtrans-71.7-32.4178.9-760000112.8E538 A539 E544 S545E538-C542 PolarHBondContact O-N 3.46Å; A539-C542 PolarHBondContact O-N 3.48Å; C542-E544 PolarHBondContact O-N 3.34Å; C542-E544 VanDerWaalsContact O-N 3.14Å; C542-S545 PolarHBondContact O-N 3.28Å
543G56.5Low61.9Low59 Ų5999.7 Ų99.761%0.60858%0.581SS**THydrogen-bonded Turntrans-61.6-20.8-174.500000116.1A539A539-G543 PolarHBondContact O-N 3.05Å; A539-G543 VanDerWaalsContact O-N 3.09Å
544E46.1Very low59.2Low150 Ų150104.4 Ų104.470%0.70161%0.614SS**THydrogen-bonded Turntrans-92.5-6.3177-61.9-163.6125.700113.9H495 C542H495-E544 IonicContact CE1-OE2 2.7Å; C542-E544 PolarHBondContact O-N 3.34Å; C542-E544 VanDerWaalsContact O-N 3.14Å
545S47.3Very low56.4Low86 Ų86108.5 Ų108.560%0.60165%0.651SS**THydrogen-bonded Turntrans-95.5-13.8-169-153.70000115.2C542 A547C542-S545 PolarHBondContact O-N 3.28Å; S545-A547 PolarHBondContact O-N 3.42Å
546E40.3Very low53.5Low197 Ų197112.1 Ų112.192%0.92167%0.673SS**THydrogen-bonded Turntrans-68.89-177.4-68.8-158.7129.200115.3
547A40.5Very low50.7Low103 Ų103113.9 Ų113.985%0.85170%0.704SS**THydrogen-bonded Turntrans-95.7-0.6-179.700000114.9S545S545-A547 PolarHBondContact O-N 3.42Å
548A37.5Very low48Very low86 Ų86118.8 Ų118.871%0.71174%0.74SS**SBendtrans-127.4108-169.600000115.6
549D40Very low45.5Very low146 Ų146122.8 Ų122.878%0.78176%0.763SS**  trans69.184.6151-136.30.8000120.4K551D549-K551 VanDerWaalsContact C-N 3.34Å; D549-K551 PolarHBondContact O-N 2.96Å
550E40Very low43.1Very low194 Ų194125 Ų12591%0.90777%0.774SS**  trans-66.189.6150.3-91-144.3139.300110.9
551K42Very low41.5Very low193 Ų193123.1 Ų123.184%0.83978%0.781SS**  trans-176.1124.2149.2-104.6147.9-168165.40113.5D549D549-K551 VanDerWaalsContact C-N 3.34Å; D549-K551 PolarHBondContact O-N 2.96Å
552G36.7Very low40.6Very low80 Ų80121.5 Ų121.583%0.82579%0.789SS**  trans149.938.4158.800000119.4V554G552-V554 PolarHBondContact O-N 2.92Å
553S43.1Very low40.9Very low115 Ų115122.2 Ų122.280%0.80480%0.795SS**  trans-79.6111.3169.1-175.90000111.2
554V33.6Very low42.1Very low136 Ų136122.2 Ų122.282%0.82479%0.79SS**  178.2108.1113.8-84.40000112.3G552G552-V554 PolarHBondContact O-N 2.92Å
555A33.6Very low44.1Very low105 Ų105116 Ų11687%0.86876%0.762SS**  trans-161.2124.5155.500000109.6
556S31.1Very low46.2Very low131 Ų131112.9 Ų112.992%0.91674%0.738SS**  trans-95.6152.7-179.1-55.20000112.1
557G27.9Very low48.7Very low84 Ų84103.5 Ų103.587%0.86669%0.694SS**  trans9652.9149.400000117.7
558S28.6Very low51.2Low120 Ų12099 Ų9984%0.83966%0.656SS**  trans-140.7145.8145.5-165.70000109.5S560S558-S560 PolarHBondContact O-N 3.38Å
559L34Very low53.8Low165 Ų165101 Ų10186%0.86465%0.654SS**PPolyproline II helixtrans-66127.6177.1-69.9164.2000108.8A561L559-A561 PolarHBondContact O-N 2.9Å; L559-A561 VanDerWaalsContact O-N 3.14Å
560S34.4Very low56.3Low111 Ų11194.7 Ų94.778%0.77662%0.621SS**PPolyproline II helixtrans-57.2116.7164.3480000108.1S558S558-S560 PolarHBondContact O-N 3.38Å
561A42.3Very low58.9Low90 Ų9085.5 Ų85.574%0.74458%0.578SS**PPolyproline II helixtrans-56.4129175.100000108.7L559 S563L559-A561 PolarHBondContact O-N 2.9Å; L559-A561 VanDerWaalsContact O-N 3.14Å; A561-S563 PolarHBondContact O-N 3.49Å
562P54.2Low61.4Low112 Ų11276.8 Ų76.873%0.72754%0.541SS*.PPolyproline II helixtrans-61.2125.9-178.524.7-33.1000108.9A564P562-A564 PolarHBondContact O-N 3.04Å
563S69Low64Low104 Ų10476.5 Ų76.573%0.72752%0.518SS*.PPolyproline II helixtrans-58.4130.2169.640.40000108.7A561A561-S563 PolarHBondContact O-N 3.49Å
564A81.4Confident66.4Low59 Ų5971.2 Ų71.249%0.48848%0.481SS..PPolyproline II helixtrans-60.2135175.900000109.6P562P562-A564 PolarHBondContact O-N 3.04Å
565P89.5Confident69.3Low18 Ų1864.8 Ų64.812%0.11744%0.442CS..PPolyproline II helixtrans-53.6144.2175.6-28.436.2000111.9F567 Q568 D608 V609P565-F567 PolarHBondContact O-N 3.39Å; P565-F567 VanDerWaalsContact O-N 3.15Å; P565-Q568 HydrophobicContact CB-CB 4.45Å; P565-Q568 WeakPolarHBondContact O-CB 3.47Å; P565-Q568 PolarHBondContact O-N 3.34Å; P565-D608 WeakPolarHBondContact CB-O 3.48Å; P565-D608 WeakPolarHBondContact CG-O 3.33Å; P565-V609 WeakPolarHBondContact CB-O 2.92Å
566I90.3Very high72.1Confident21 Ų2161.7 Ų61.711%0.10841%0.41CS..THydrogen-bonded Turntrans-60-33.5-170.3-69-171000112I497 Q534 I537 E538I497-I566 HydrophobicContact CD1-CG2 3.59Å; I497-I566 HydrophobicContact CG1-CG2 4.33Å; Q534-I566 HydrophobicContact CG-CB 4.16Å; Q534-I566 HydrophobicContact CG-CD1 3.99Å; Q534-I566 HydrophobicContact CG-CG1 3.94Å; I537-I566 HydrophobicContact CB-CD1 3.85Å; I537-I566 HydrophobicContact CD1-CG2 4.26Å; I537-I566 HydrophobicContact CG2-CD1 3.69Å; E538-I566 HydrophobicContact CG-CD1 4.11Å
567F93Very high74.8Confident0 Ų059 Ų590%039%0.389CS..THydrogen-bonded Turntrans-97.18.1-178.3-57-66.9000114.2V505 L530 R533 Q534 I537 P565 D569 V570 L571 V609V505-F567 HydrophobicContact CG1-CD1 4.41Å; V505-F567 HydrophobicContact CG2-CD1 3.68Å; V505-F567 HydrophobicContact CG2-CE1 3.72Å; V505-F567 HydrophobicContact CG2-CG 4.45Å; V505-F567 HydrophobicContact CG2-CZ 4.5Å; L530-F567 HydrophobicContact CB-CD2 4.18Å; L530-F567 HydrophobicContact CB-CE2 4.32Å; L530-F567 HydrophobicContact CD2-CD2 4.41Å; L530-F567 HydrophobicContact CD2-CE2 4.29Å; R533-F567 HydrophobicContact CB-CE2 4.4Å; R533-F567 HydrophobicContact CB-CZ 4.3Å; R533-F567 HydrophobicContact CG-CE2 4.48Å; R533-F567 HydrophobicContact CG-CZ 3.9Å; Q534-F567 HydrophobicContact CB-CE2 4.11Å; I537-F567 HydrophobicContact CD1-CZ 4.19Å; P565-F567 PolarHBondContact O-N 3.39Å; P565-F567 VanDerWaalsContact O-N 3.15Å; F567-D569 VanDerWaalsContact C-N 3.34Å; F567-D569 PolarHBondContact O-N 2.97Å; F567-V570 PolarHBondContact O-N 3.32Å; F567-L571 HydrophobicContact CB-CD1 4.14Å; F567-L571 HydrophobicContact CB-CG 4.31Å; F567-L571 WeakPolarHBondContact O-CB 3.4Å; F567-L571 VanDerWaalsContact O-CG 3.32Å; F567-L571 WeakPolarHBondContact O-CG 3.21Å; F567-L571 PolarHBondContact O-N 2.88Å; F567-V609 HydrophobicContact CB-CG1 4.43Å; F567-V609 HydrophobicContact CD2-CG1 4.15Å
568Q93.8Very high77.5Confident9 Ų957.8 Ų57.84%0.04236%0.361CS..Hα-helixtrans-53.2-45.8-173.9-178.865.955.700113.1P565 L572 M614P565-Q568 HydrophobicContact CB-CB 4.45Å; P565-Q568 WeakPolarHBondContact O-CB 3.47Å; P565-Q568 PolarHBondContact O-N 3.34Å; Q568-L572 WeakPolarHBondContact O-CB 3.34Å; Q568-L572 PolarHBondContact O-N 3.29Å; Q568-M614 HydrophobicContact CG-CG 4.29Å
569D91.4Very high80.5Confident127 Ų12752.3 Ų52.368%0.67932%0.322SS*.Hα-helixtrans-74.4-36.3-177.7-71-37.9000112.8F567 L572 Q573F567-D569 VanDerWaalsContact C-N 3.34Å; F567-D569 PolarHBondContact O-N 2.97Å; D569-L572 WeakPolarHBondContact O-CB 3.49Å; D569-L572 PolarHBondContact O-N 3.42Å; D569-Q573 WeakPolarHBondContact O-CB 3.48Å; D569-Q573 PolarHBondContact O-N 2.99Å
570V92Very high83.3Confident15 Ų1545.6 Ų45.69%0.09129%0.289CS..Hα-helixtrans-66-43.6176.3-175.10000110.3D502 V505 F567 L572 Q573 F574D502-V570 HydrophobicContact CB-CG1 4.31Å; D502-V570 HydrophobicContact CB-CG2 4.23Å; D502-V570 WeakPolarHBondContact OD1-CG2 3.38Å; V505-V570 HydrophobicContact CB-CG1 4.09Å; V505-V570 HydrophobicContact CG1-CB 4.36Å; V505-V570 HydrophobicContact CG1-CG1 3.76Å; F567-V570 PolarHBondContact O-N 3.32Å; V570-L572 VanDerWaalsContact C-N 3.34Å; V570-Q573 PolarHBondContact O-N 3.43Å; V570-F574 PolarHBondContact O-N 3.49Å
571L95.5Very high85.8Confident0 Ų042.9 Ų42.90%026%0.264CS..Hα-helixtrans-66.9-35.4175.6-67.3173.5000111.8V505 C509 F567 F574 L575 F601 L604 V609 F610V505-L571 HydrophobicContact CG1-CD2 4.42Å; C509-L571 WeakPolarHBondContact SG-CD2 3.34Å; F567-L571 HydrophobicContact CB-CD1 4.14Å; F567-L571 HydrophobicContact CB-CG 4.31Å; F567-L571 WeakPolarHBondContact O-CB 3.4Å; F567-L571 VanDerWaalsContact O-CG 3.32Å; F567-L571 WeakPolarHBondContact O-CG 3.21Å; F567-L571 PolarHBondContact O-N 2.88Å; L571-F574 PolarHBondContact O-N 2.92Å; L571-L575 WeakPolarHBondContact O-CG 3.38Å; L571-L575 PolarHBondContact O-N 3.43Å; L571-F601 HydrophobicContact CB-CE1 4.42Å; L571-F601 HydrophobicContact CB-CZ 4.42Å; L571-F601 HydrophobicContact CD2-CZ 4.4Å; L571-L604 HydrophobicContact CD1-CD1 4.17Å; L571-L604 HydrophobicContact CD1-CD2 4.42Å; L571-L604 HydrophobicContact CD2-CD1 3.96Å; L571-V609 HydrophobicContact CD1-CG1 4.09Å; L571-F610 HydrophobicContact CB-CD2 3.67Å; L571-F610 HydrophobicContact CB-CE2 3.93Å; L571-F610 HydrophobicContact CD1-CB 4.01Å; L571-F610 HydrophobicContact CD1-CD2 3.9Å; L571-F610 HydrophobicContact CD1-CG 4.4Å; L571-F610 HydrophobicContact CG-CD2 4.45Å
572L93.5Very high88Confident10 Ų1039.1 Ų39.15%0.05223%0.232CC..Hα-helixtrans-63.6-45.9171.1-164.881.8000111.3Q568 D569 V570 F574 L575 D576 Y615 T618Q568-L572 WeakPolarHBondContact O-CB 3.34Å; Q568-L572 PolarHBondContact O-N 3.29Å; D569-L572 WeakPolarHBondContact O-CB 3.49Å; D569-L572 PolarHBondContact O-N 3.42Å; V570-L572 VanDerWaalsContact C-N 3.34Å; L572-F574 VanDerWaalsContact C-N 3.31Å; L572-F574 PolarHBondContact O-N 3.25Å; L572-L575 CarbonylContact O-C 3.32Å; L572-L575 WeakPolarHBondContact O-CA 3.5Å; L572-L575 WeakPolarHBondContact O-CB 3.5Å; L572-L575 PolarHBondContact O-N 2.73Å; L572-L575 VanDerWaalsContact O-N 3.11Å; L572-D576 VanDerWaalsContact O-CG 3.22Å; L572-D576 PolarHBondContact O-N 2.84Å; L572-Y615 HydrophobicContact CD1-CD2 3.64Å; L572-Y615 HydrophobicContact CD1-CE2 4.22Å; L572-T618 HydrophobicContact CD2-CG2 3.82Å
573Q92.3Very high89.6Confident75 Ų7538.1 Ų38.135%0.3522%0.224SC..Hα-helixtrans-63.8-35.9177.7-176169.17.800112.4D569 V570 D576 T577D569-Q573 WeakPolarHBondContact O-CB 3.48Å; D569-Q573 PolarHBondContact O-N 2.99Å; V570-Q573 PolarHBondContact O-N 3.43Å; Q573-D576 PolarHBondContact O-N 3.2Å; Q573-T577 PolarHBondContact O-N 3.45Å; Q573-T577 PolarHBondContact O-OG1 3.46Å
574F94Very high90.2Very high4 Ų436.5 Ų36.52%0.01821%0.207CC..Hα-helixtrans-61.7-47.6169.8179-98.4000111.2C509 E510 V513 V570 L571 L572 D576 T577 Q578 A579 L597 F601C509-F574 HydrophobicContact CB-CD1 3.99Å; C509-F574 HydrophobicContact CB-CD2 3.84Å; C509-F574 HydrophobicContact CB-CE1 3.8Å; C509-F574 HydrophobicContact CB-CE2 3.67Å; C509-F574 HydrophobicContact CB-CG 4.02Å; C509-F574 HydrophobicContact CB-CZ 3.64Å; E510-F574 HydrophobicContact CG-CE2 3.89Å; V513-F574 HydrophobicContact CG2-CE1 4.47Å; V513-F574 HydrophobicContact CG2-CZ 4.24Å; V570-F574 PolarHBondContact O-N 3.49Å; L571-F574 PolarHBondContact O-N 2.92Å; L572-F574 VanDerWaalsContact C-N 3.31Å; L572-F574 PolarHBondContact O-N 3.25Å; F574-D576 VanDerWaalsContact C-N 3.32Å; F574-D576 PolarHBondContact O-N 2.7Å; F574-T577 PolarHBondContact O-N 2.87Å; F574-Q578 HydrophobicContact CD2-CB 3.58Å; F574-Q578 HydrophobicContact CD2-CG 4.49Å; F574-Q578 HydrophobicContact CE2-CB 3.75Å; F574-Q578 HydrophobicContact CG-CB 4.41Å; F574-Q578 PolarHBondContact O-N 2.7Å; F574-A579 HydrophobicContact CD1-CB 3.97Å; F574-A579 HydrophobicContact CE1-CB 3.69Å; F574-A579 HydrophobicContact CZ-CB 4.25Å; F574-A579 PolarHBondContact O-N 3.12Å; F574-L597 HydrophobicContact CE1-CD1 3.78Å; F574-F601 HydrophobicContact CD1-CE2 4.23Å; F574-F601 HydrophobicContact CD1-CZ 4.39Å; F574-F601 HydrophobicContact CE1-CE2 4.34Å
575L94.8Very high90Very high0 Ų037.9 Ų37.90%021%0.211CC..Hα-helixtrans-62.6-33.8174.9-72177.4000113.4L571 L572 A579 L597 F601 F610 Y615 R731 Y735 F739L571-L575 WeakPolarHBondContact O-CG 3.38Å; L571-L575 PolarHBondContact O-N 3.43Å; L572-L575 CarbonylContact O-C 3.32Å; L572-L575 WeakPolarHBondContact O-CA 3.5Å; L572-L575 WeakPolarHBondContact O-CB 3.5Å; L572-L575 PolarHBondContact O-N 2.73Å; L572-L575 VanDerWaalsContact O-N 3.11Å; L575-A579 HydrophobicContact CD2-CB 4.16Å; L575-L597 HydrophobicContact CD2-CD1 4.45Å; L575-F601 HydrophobicContact CD1-CD1 4.32Å; L575-F601 HydrophobicContact CD1-CE1 3.67Å; L575-F601 HydrophobicContact CD1-CZ 3.9Å; L575-F601 HydrophobicContact CD2-CD2 4.25Å; L575-F601 HydrophobicContact CD2-CE1 4.12Å; L575-F601 HydrophobicContact CD2-CE2 3.69Å; L575-F601 HydrophobicContact CD2-CZ 3.62Å; L575-F601 HydrophobicContact CG-CE1 3.94Å; L575-F601 HydrophobicContact CG-CE2 4.2Å; L575-F601 HydrophobicContact CG-CZ 3.6Å; L575-F610 HydrophobicContact CD1-CE1 4.38Å; L575-F610 HydrophobicContact CD1-CE2 4.16Å; L575-F610 HydrophobicContact CD1-CZ 3.61Å; L575-Y615 HydrophobicContact CD1-CD2 4.18Å; L575-Y615 HydrophobicContact CD1-CE2 3.82Å; L575-R731 PolarHBondContact O-NE 3.43Å; L575-R731 PolarHBondContact O-NH2 3.34Å; L575-Y735 HydrophobicContact CD2-CD2 4Å; L575-Y735 HydrophobicContact CD2-CE2 4.14Å; L575-Y735 HydrophobicContact CD2-CG 4.47Å; L575-Y735 WeakPolarHBondContact O-CE2 3.15Å; L575-F739 HydrophobicContact CD1-CE2 4.07Å; L575-F739 HydrophobicContact CD2-CE2 3.79Å; L575-F739 HydrophobicContact CD2-CZ 3.68Å
576D91.3Very high89.5Confident40 Ų4045.8 Ų45.821%0.21424%0.238CC..Hα-helixtrans-70.9-38.4177.7-70.5-16.7000112.1L572 Q573 F574 R622 R731 H732L572-D576 VanDerWaalsContact O-CG 3.22Å; L572-D576 PolarHBondContact O-N 2.84Å; Q573-D576 PolarHBondContact O-N 3.2Å; F574-D576 VanDerWaalsContact C-N 3.32Å; F574-D576 PolarHBondContact O-N 2.7Å; D576-R622 IonicContact OD1-CZ 3.47Å; D576-R622 IonicContact OD1-NH1 2.59Å; D576-R622 PolarHBondContact OD1-NH1 3.35Å; D576-R622 IonicContact OD1-NH2 3.97Å; D576-R622 IonicContact OD2-CZ 3.55Å; D576-R622 IonicContact OD2-NH1 3.41Å; D576-R622 PolarHBondContact OD2-NH1 3.3Å; D576-R622 IonicContact OD2-NH2 2.76Å; D576-R622 PolarHBondContact OD2-NH2 3.04Å; D576-R731 PolarHBondContact O-NE 3.06Å; D576-R731 PolarHBondContact O-NH1 3.47Å; D576-H732 IonicContact OD1-CE1 3.49Å; D576-H732 PolarHBondContact OD1-CE1 3.18Å; D576-H732 VanDerWaalsContact OD1-CE1 3.3Å; D576-H732 IonicContact OD1-NE2 2.85Å; D576-H732 PolarHBondContact OD1-NE2 2.86Å
577T87.1Confident89.1Confident75 Ų7546.5 Ų46.546%0.4625%0.245SC..Hα-helixtrans-123.1-38.9-16363.30000116.4Q573 F574Q573-T577 PolarHBondContact O-N 3.45Å; Q573-T577 PolarHBondContact O-OG1 3.46Å; F574-T577 PolarHBondContact O-N 2.87Å
578Q86Confident88.5Confident59 Ų5953.9 Ų53.928%0.27628%0.28SS..THydrogen-bonded Turntrans-111.8-29.2-167.1-69.8176.315.900114.1F574F574-Q578 HydrophobicContact CD2-CB 3.58Å; F574-Q578 HydrophobicContact CD2-CG 4.49Å; F574-Q578 HydrophobicContact CE2-CB 3.75Å; F574-Q578 HydrophobicContact CG-CB 4.41Å; F574-Q578 PolarHBondContact O-N 2.7Å
579A91.6Very high87.9Confident4 Ų456.3 Ų56.33%0.03330%0.298CS..SBendtrans-60.5142-178.400000112.2F574 L575 L597 R731 Y735F574-A579 HydrophobicContact CD1-CB 3.97Å; F574-A579 HydrophobicContact CE1-CB 3.69Å; F574-A579 HydrophobicContact CZ-CB 4.25Å; F574-A579 PolarHBondContact O-N 3.12Å; L575-A579 HydrophobicContact CD2-CB 4.16Å; A579-L597 HydrophobicContact CB-CD1 3.9Å; A579-L597 HydrophobicContact CB-CD2 3.97Å; A579-R731 PolarHBondContact O-NH2 3.13Å; A579-Y735 PolarHBondContact O-OH 3.17Å
580P91.4Very high87.7Confident25 Ų2551.7 Ų51.716%0.16227%0.272CS..  trans-71.7150.2176.631.7-37.5000111.4V513 E593 L597 Y735V513-P580 HydrophobicContact CG1-CG 3.56Å; P580-E593 HydrophobicContact CB-CB 4.29Å; P580-E593 HydrophobicContact CG-CB 4.12Å; P580-L597 HydrophobicContact CG-CB 4.26Å; P580-L597 HydrophobicContact CG-CD2 4.27Å; P580-L597 WeakPolarHBondContact O-CD2 3.03Å; P580-Y735 VanDerWaalsContact O-CE1 3.27Å; P580-Y735 WeakPolarHBondContact O-CE1 3.36Å; P580-Y735 PolarHBondContact O-OH 3.33Å
581M88.1Confident87.5Confident53 Ų5355.5 Ų55.526%0.26129%0.285SS..  trans-127.8166.9169.970.7-164.977.300108.6T583 E590 R731M581-T583 HydrophobicContact CG-CG2 3.74Å; M581-T583 HydrophobicContact SD-CG2 4.43Å; M581-E590 VanDerWaalsContact O-CG 3.3Å; M581-E590 WeakPolarHBondContact O-CG 3.42Å; M581-E590 VanDerWaalsContact O-OE1 3.07Å; M581-R731 HydrophobicContact CB-CB 4.3Å; M581-R731 HydrophobicContact CE-CB 3.74Å; M581-R731 HydrophobicContact CE-CG 4.5Å; M581-R731 HydrophobicContact SD-CB 3.92Å
582L88.9Confident87.2Confident12 Ų1257.7 Ų57.76%0.06330%0.298CS..  trans-84.5121.5176.7-64.1175000110.2F594 Y727 Q734L582-F594 HydrophobicContact CD1-CD1 3.93Å; L582-F594 HydrophobicContact CD1-CE1 4.01Å; L582-F594 HydrophobicContact CD1-CG 4.28Å; L582-F594 HydrophobicContact CD1-CZ 4.41Å; L582-F594 HydrophobicContact CD2-CB 3.73Å; L582-F594 HydrophobicContact CD2-CD1 4.16Å; L582-F594 HydrophobicContact CD2-CG 3.9Å; L582-F594 HydrophobicContact CG-CB 4.18Å; L582-F594 HydrophobicContact CG-CD1 3.97Å; L582-F594 HydrophobicContact CG-CD2 4.03Å; L582-F594 HydrophobicContact CG-CE1 4.36Å; L582-F594 HydrophobicContact CG-CE2 4.41Å; L582-F594 HydrophobicContact CG-CG 3.79Å; L582-Y727 HydrophobicContact CB-CD1 3.77Å; L582-Y727 HydrophobicContact CB-CE1 3.67Å; L582-Y727 HydrophobicContact CD2-CE1 4.47Å; L582-Y727 HydrophobicContact CG-CE1 4.47Å; L582-Q734 PolarHBondContact O-NE2 3.15Å
583T85.9Confident87.1Confident91 Ų9159.3 Ų59.356%0.55831%0.305SS*.  trans-127.9-36.2179.172.40000114.7M581 E590M581-T583 HydrophobicContact CG-CG2 3.74Å; M581-T583 HydrophobicContact SD-CG2 4.43Å; T583-E590 WeakPolarHBondContact CB-OE1 3.46Å; T583-E590 PolarHBondContact N-OE1 2.94Å; T583-E590 PolarHBondContact N-OE2 2.97Å; T583-E590 VanDerWaalsContact N-OE2 3.14Å; T583-E590 PolarHBondContact OG1-OE1 3.02Å
584D81.8Confident87.2Confident69 Ų6955.7 Ų55.737%0.36929%0.288SS..  trans-116.9116.4171-176.4-2.1000111.4R586 S587 E590D584-R586 PolarHBondContact O-N 3.49Å; D584-R586 WeakPolarHBondContact OD1-CB 3.35Å; D584-R586 PolarHBondContact OD1-N 3.01Å; D584-S587 WeakPolarHBondContact O-CB 3.11Å; D584-S587 PolarHBondContact O-N 3.48Å; D584-E590 PolarHBondContact N-OE2 3.37Å
585P76.8Confident87.1Confident88 Ų8858 Ų5857%0.57130%0.298SS*.THydrogen-bonded Turntrans-62.2-5.6175.925.8-34.9000115.1Y727P585-Y727 VanDerWaalsContact CA-CE1 3.46Å; P585-Y727 HydrophobicContact CB-CD1 4.41Å; P585-Y727 HydrophobicContact CB-CD2 4.37Å; P585-Y727 HydrophobicContact CB-CE1 3.89Å; P585-Y727 HydrophobicContact CB-CE2 3.87Å
586R79.7Confident87.1Confident184 Ų18459.5 Ų59.569%0.69431%0.306SS*.THydrogen-bonded Turntrans-97.4-7.2171.6-56-172-176108.210.1114.2D584 E588D584-R586 PolarHBondContact O-N 3.49Å; D584-R586 WeakPolarHBondContact OD1-CB 3.35Å; D584-R586 PolarHBondContact OD1-N 3.01Å; R586-E588 PolarHBondContact O-N 3.42Å
587S83Confident87.3Confident36 Ų3657.6 Ų57.625%0.25230%0.296SS..  trans-84.889.2-177.1-172.30000110.9D584 S589 E590 R591D584-S587 WeakPolarHBondContact O-CB 3.11Å; D584-S587 PolarHBondContact O-N 3.48Å; S587-S589 VanDerWaalsContact C-N 3.25Å; S587-S589 PolarHBondContact O-N 3.46Å; S587-E590 PolarHBondContact O-N 3.25Å; S587-E590 WeakPolarHBondContact OG-CB 3.45Å; S587-E590 PolarHBondContact OG-N 3.03Å; S587-R591 PolarHBondContact O-N 3.43Å
588E79.8Confident87.7Confident155 Ų15554 Ų5472%0.72427%0.274SS*.Hα-helixtrans-59.8-35.9-180-168.8166.3-148.200112.1R586 R591 V592R586-E588 PolarHBondContact O-N 3.42Å; E588-R591 PolarHBondContact O-N 3.23Å; E588-V592 WeakPolarHBondContact O-CG2 3.46Å; E588-V592 PolarHBondContact O-N 3.14Å
589S82Confident88.1Confident60 Ų6051.5 Ų51.542%0.4226%0.263SS..Hα-helixtrans-68.1-40.417553.60000113.5S587 R591 V592 E593S587-S589 VanDerWaalsContact C-N 3.25Å; S587-S589 PolarHBondContact O-N 3.46Å; S589-R591 VanDerWaalsContact C-N 3.29Å; S589-R591 PolarHBondContact O-N 2.97Å; S589-V592 PolarHBondContact O-N 2.86Å; S589-E593 WeakPolarHBondContact O-CG 3.31Å; S589-E593 PolarHBondContact O-N 2.95Å
590E87.1Confident88.4Confident30 Ų3051.3 Ų51.314%0.1426%0.261CS..Hα-helixtrans-64.5-37.6176.6-178.1-179-133.700110.8M581 T583 D584 S587 E593 F594M581-E590 VanDerWaalsContact O-CG 3.3Å; M581-E590 WeakPolarHBondContact O-CG 3.42Å; M581-E590 VanDerWaalsContact O-OE1 3.07Å; T583-E590 WeakPolarHBondContact CB-OE1 3.46Å; T583-E590 PolarHBondContact N-OE1 2.94Å; T583-E590 PolarHBondContact N-OE2 2.97Å; T583-E590 VanDerWaalsContact N-OE2 3.14Å; T583-E590 PolarHBondContact OG1-OE1 3.02Å; D584-E590 PolarHBondContact N-OE2 3.37Å; S587-E590 PolarHBondContact O-N 3.25Å; S587-E590 WeakPolarHBondContact OG-CB 3.45Å; S587-E590 PolarHBondContact OG-N 3.03Å; E590-E593 PolarHBondContact O-N 3.09Å; E590-F594 WeakPolarHBondContact O-CB 3.43Å; E590-F594 PolarHBondContact O-N 2.96Å
591R88.1Confident88.6Confident96 Ų9650.1 Ų50.136%0.36225%0.253SS..Hα-helixtrans-64.4-42.4173.9-168.6177.9-174.7178.81.4112.4S587 E588 S589 F595S587-R591 PolarHBondContact O-N 3.43Å; E588-R591 PolarHBondContact O-N 3.23Å; S589-R591 VanDerWaalsContact C-N 3.29Å; S589-R591 PolarHBondContact O-N 2.97Å; R591-F595 HydrophobicContact CG-CD2 4.31Å; R591-F595 HydrophobicContact CG-CE1 4.27Å; R591-F595 HydrophobicContact CG-CE2 3.81Å; R591-F595 HydrophobicContact CG-CZ 3.81Å; R591-F595 WeakPolarHBondContact O-CB 3.5Å; R591-F595 WeakPolarHBondContact O-CG 3.37Å; R591-F595 PolarHBondContact O-N 3.17Å
592V87.7Confident88.9Confident45 Ų4548.4 Ų48.427%0.27325%0.247SC..Hα-helixtrans-63.9-45.1174.2168.40000111.2E588 S589 F594 F595 N596E588-V592 WeakPolarHBondContact O-CG2 3.46Å; E588-V592 PolarHBondContact O-N 3.14Å; S589-V592 PolarHBondContact O-N 2.86Å; V592-F594 PolarHBondContact O-N 3.25Å; V592-F595 PolarHBondContact O-N 2.85Å; V592-N596 VanDerWaalsContact O-CG 3.25Å; V592-N596 PolarHBondContact O-N 3.01Å; V592-N596 PolarHBondContact O-ND2 2.96Å
593E91.6Very high89.2Confident44 Ų4448 Ų4821%0.20624%0.244CC..Hα-helixtrans-65.8-38.2178.8-68.5-175.1145.700111.8V513 S514 C515 P580 S589 E590 N596 L597V513-E593 HydrophobicContact CG1-CB 4.14Å; S514-E593 VanDerWaalsContact CA-OE1 3.31Å; S514-E593 WeakPolarHBondContact CA-OE1 3.45Å; S514-E593 PolarHBondContact OG-OE1 2.97Å; S514-E593 VanDerWaalsContact OG-OE1 3.06Å; C515-E593 HydrophobicContact CB-CG 3.86Å; C515-E593 PolarHBondContact N-OE1 3.42Å; C515-E593 PolarHBondContact SG-OE1 3.09Å; P580-E593 HydrophobicContact CB-CB 4.29Å; P580-E593 HydrophobicContact CG-CB 4.12Å; S589-E593 WeakPolarHBondContact O-CG 3.31Å; S589-E593 PolarHBondContact O-N 2.95Å; E590-E593 PolarHBondContact O-N 3.09Å; E593-N596 PolarHBondContact O-N 3.41Å; E593-L597 PolarHBondContact O-N 3.38Å
594F93.6Very high89.7Confident0 Ų043.7 Ų43.70%022%0.218CC..Hα-helixtrans-65-40.1171.8-174.5-96.1000112.7L582 E590 V592 L597 V598 Q734 Y735 H738L582-F594 HydrophobicContact CD1-CD1 3.93Å; L582-F594 HydrophobicContact CD1-CE1 4.01Å; L582-F594 HydrophobicContact CD1-CG 4.28Å; L582-F594 HydrophobicContact CD1-CZ 4.41Å; L582-F594 HydrophobicContact CD2-CB 3.73Å; L582-F594 HydrophobicContact CD2-CD1 4.16Å; L582-F594 HydrophobicContact CD2-CG 3.9Å; L582-F594 HydrophobicContact CG-CB 4.18Å; L582-F594 HydrophobicContact CG-CD1 3.97Å; L582-F594 HydrophobicContact CG-CD2 4.03Å; L582-F594 HydrophobicContact CG-CE1 4.36Å; L582-F594 HydrophobicContact CG-CE2 4.41Å; L582-F594 HydrophobicContact CG-CG 3.79Å; E590-F594 WeakPolarHBondContact O-CB 3.43Å; E590-F594 PolarHBondContact O-N 2.96Å; V592-F594 PolarHBondContact O-N 3.25Å; F594-L597 WeakPolarHBondContact O-CB 3.34Å; F594-L597 PolarHBondContact O-N 3.01Å; F594-V598 HydrophobicContact CD1-CG2 4.21Å; F594-V598 HydrophobicContact CE1-CG2 3.9Å; F594-V598 HydrophobicContact CZ-CG2 4.32Å; F594-V598 WeakPolarHBondContact O-CG2 3.42Å; F594-V598 PolarHBondContact O-N 2.93Å; F594-Q734 HydrophobicContact CE2-CB 4.16Å; F594-Q734 HydrophobicContact CZ-CB 4.22Å; F594-Y735 HydrophobicContact CD2-CE1 4.44Å; F594-Y735 AromaticContact CE2-CD1 3.95Å; F594-Y735 HydrophobicContact CE2-CD1 3.95Å; F594-Y735 AromaticContact CE2-CE1 3.97Å; F594-Y735 HydrophobicContact CE2-CE1 3.97Å; F594-H738 HydrophobicContact CE1-CB 4.1Å; F594-H738 AromaticContact CE1-CG 3.87Å; F594-H738 HydrophobicContact CZ-CB 4.08Å
595F92.7Very high90.3Very high52 Ų5240.9 Ų40.923%0.22820%0.203CC..Hα-helixtrans-65.1-39.5174.5-70.5-14.3000112.3R591 V592 L597 V598 L599 H839 L885R591-F595 HydrophobicContact CG-CD2 4.31Å; R591-F595 HydrophobicContact CG-CE1 4.27Å; R591-F595 HydrophobicContact CG-CE2 3.81Å; R591-F595 HydrophobicContact CG-CZ 3.81Å; R591-F595 WeakPolarHBondContact O-CB 3.5Å; R591-F595 WeakPolarHBondContact O-CG 3.37Å; R591-F595 PolarHBondContact O-N 3.17Å; V592-F595 PolarHBondContact O-N 2.85Å; F595-L597 VanDerWaalsContact C-N 3.33Å; F595-L597 PolarHBondContact O-N 3.13Å; F595-V598 PolarHBondContact O-N 2.97Å; F595-L599 PolarHBondContact O-N 2.87Å; F595-H839 AromaticContact CD1-NE2 3.71Å; F595-H839 AromaticContact CE1-NE2 3.51Å; F595-L885 HydrophobicContact CB-CD1 3.96Å; F595-L885 HydrophobicContact CG-CD1 4.44Å; F595-L885 WeakPolarHBondContact O-CD1 3.41Å
596N94.4Very high91Very high31 Ų3141.7 Ų41.717%0.16619%0.194CC..Hα-helixtrans-65-35.5173.6-68-20.3000112.1V513 V592 E593 L599 L600V513-N596 VanDerWaalsContact O-CB 3.28Å; V513-N596 WeakPolarHBondContact O-CB 3.43Å; V513-N596 PolarHBondContact O-ND2 2.72Å; V592-N596 VanDerWaalsContact O-CG 3.25Å; V592-N596 PolarHBondContact O-N 3.01Å; V592-N596 PolarHBondContact O-ND2 2.96Å; E593-N596 PolarHBondContact O-N 3.41Å; N596-L599 PolarHBondContact O-N 2.92Å; N596-L600 WeakPolarHBondContact O-CB 3.16Å; N596-L600 PolarHBondContact O-N 3.23Å
597L96.1Very high91.6Very high0 Ų034.3 Ų34.30%017%0.168CC..Hα-helixtrans-63.1-45.1172.3-179.773.6000112.1V513 F574 L575 A579 P580 E593 F594 F595 L599 L600 F601 Y735 F739V513-L597 HydrophobicContact CG2-CB 4.04Å; V513-L597 HydrophobicContact CG2-CD1 3.87Å; F574-L597 HydrophobicContact CE1-CD1 3.78Å; L575-L597 HydrophobicContact CD2-CD1 4.45Å; A579-L597 HydrophobicContact CB-CD1 3.9Å; A579-L597 HydrophobicContact CB-CD2 3.97Å; P580-L597 HydrophobicContact CG-CB 4.26Å; P580-L597 HydrophobicContact CG-CD2 4.27Å; P580-L597 WeakPolarHBondContact O-CD2 3.03Å; E593-L597 PolarHBondContact O-N 3.38Å; F594-L597 WeakPolarHBondContact O-CB 3.34Å; F594-L597 PolarHBondContact O-N 3.01Å; F595-L597 VanDerWaalsContact C-N 3.33Å; F595-L597 PolarHBondContact O-N 3.13Å; L597-L599 VanDerWaalsContact C-N 3.32Å; L597-L599 PolarHBondContact O-N 2.8Å; L597-L600 PolarHBondContact O-N 3.22Å; L597-F601 HydrophobicContact CD1-CD2 3.71Å; L597-F601 HydrophobicContact CD1-CE2 3.66Å; L597-F601 HydrophobicContact CG-CD2 4.27Å; L597-F601 PolarHBondContact O-N 2.75Å; L597-Y735 HydrophobicContact CD2-CD1 3.84Å; L597-Y735 HydrophobicContact CD2-CE1 3.44Å; L597-Y735 VanDerWaalsContact CD2-CE1 3.44Å; L597-F739 HydrophobicContact CD2-CE1 4.21Å; L597-F739 HydrophobicContact CD2-CZ 4.18Å; L597-F739 HydrophobicContact CG-CE1 4.07Å; L597-F739 HydrophobicContact CG-CZ 4.07Å
598V95.2Very high92Very high1 Ų138.4 Ų38.41%0.00619%0.187CC..Hα-helixtrans-60.4-42.1176.3170.40000111.1F594 F595 C602 H738 F739 P740 H839 L885F594-V598 HydrophobicContact CD1-CG2 4.21Å; F594-V598 HydrophobicContact CE1-CG2 3.9Å; F594-V598 HydrophobicContact CZ-CG2 4.32Å; F594-V598 WeakPolarHBondContact O-CG2 3.42Å; F594-V598 PolarHBondContact O-N 2.93Å; F595-V598 PolarHBondContact O-N 2.97Å; V598-C602 WeakPolarHBondContact O-CB 3.34Å; V598-C602 PolarHBondContact O-N 2.93Å; V598-H738 HydrophobicContact CG2-CB 3.83Å; V598-F739 HydrophobicContact CG2-CD1 4.25Å; V598-F739 HydrophobicContact CG2-CE1 4.37Å; V598-P740 HydrophobicContact CG1-CG 4.47Å; V598-H839 HydrophobicContact CG1-CB 3.66Å; V598-L885 HydrophobicContact CB-CD1 4.5Å; V598-L885 HydrophobicContact CG1-CD1 4.35Å
599L95.4Very high92.7Very high5 Ų531 Ų313%0.02615%0.152CC..Hα-helixtrans-66.4-44.5175.2179.864.7000112.2R520 A523 F595 N596 L597 F601 C602 E603 L885 I887R520-L599 HydrophobicContact CB-CD2 3.96Å; R520-L599 HydrophobicContact CG-CD2 4.4Å; A523-L599 HydrophobicContact CB-CB 4.38Å; A523-L599 HydrophobicContact CB-CD2 3.9Å; A523-L599 HydrophobicContact CB-CG 3.64Å; F595-L599 PolarHBondContact O-N 2.87Å; N596-L599 PolarHBondContact O-N 2.92Å; L597-L599 VanDerWaalsContact C-N 3.32Å; L597-L599 PolarHBondContact O-N 2.8Å; L599-F601 PolarHBondContact O-N 3.49Å; L599-C602 WeakPolarHBondContact O-CB 3.37Å; L599-C602 PolarHBondContact O-N 3.04Å; L599-E603 PolarHBondContact O-N 2.86Å; L599-E603 VanDerWaalsContact O-N 3.11Å; L599-L885 HydrophobicContact CD1-CB 4.37Å; L599-L885 WeakPolarHBondContact CD1-O 3.2Å; L599-I887 HydrophobicContact CD1-CD1 3.85Å; L599-I887 HydrophobicContact CD1-CG1 4.39Å; L599-I887 HydrophobicContact CD2-CD1 3.76Å; L599-I887 HydrophobicContact CG-CD1 4.49Å
600L96.9Very high93.3Very high0 Ų028.3 Ų28.30%013%0.133CC..Hα-helixtrans-56.8-50.9176.617462.8000111.4C509 A512 V513 A523 V526 N596 L597 C602 E603 L604C509-L600 HydrophobicContact CB-CD2 4.04Å; A512-L600 HydrophobicContact CB-CD1 3.92Å; A512-L600 HydrophobicContact CB-CD2 4.2Å; A512-L600 HydrophobicContact CB-CG 4.44Å; V513-L600 HydrophobicContact CG2-CD2 3.94Å; A523-L600 HydrophobicContact CB-CB 4.35Å; V526-L600 HydrophobicContact CB-CD1 4Å; V526-L600 HydrophobicContact CG1-CD1 3.79Å; N596-L600 WeakPolarHBondContact O-CB 3.16Å; N596-L600 PolarHBondContact O-N 3.23Å; L597-L600 PolarHBondContact O-N 3.22Å; L600-C602 VanDerWaalsContact C-N 3.35Å; L600-C602 PolarHBondContact O-N 2.79Å; L600-E603 PolarHBondContact O-N 3.36Å; L600-L604 HydrophobicContact CD1-CD1 3.86Å; L600-L604 HydrophobicContact CD1-CG 4.04Å; L600-L604 HydrophobicContact CD2-CD1 4.42Å; L600-L604 HydrophobicContact CG-CD1 3.76Å; L600-L604 HydrophobicContact CG-CG 4.36Å; L600-L604 WeakPolarHBondContact O-CG 3.48Å; L600-L604 PolarHBondContact O-N 3.23Å
601F96.1Very high93.6Very high0 Ų028.2 Ų28.20%014%0.136CC..Hα-helixtrans-71.1-28.8-179-84.9-92.3000113L571 F574 L575 L597 L599 E603 L604 I605 F610 F739L571-F601 HydrophobicContact CB-CE1 4.42Å; L571-F601 HydrophobicContact CB-CZ 4.42Å; L571-F601 HydrophobicContact CD2-CZ 4.4Å; F574-F601 HydrophobicContact CD1-CE2 4.23Å; F574-F601 HydrophobicContact CD1-CZ 4.39Å; F574-F601 HydrophobicContact CE1-CE2 4.34Å; L575-F601 HydrophobicContact CD1-CD1 4.32Å; L575-F601 HydrophobicContact CD1-CE1 3.67Å; L575-F601 HydrophobicContact CD1-CZ 3.9Å; L575-F601 HydrophobicContact CD2-CD2 4.25Å; L575-F601 HydrophobicContact CD2-CE1 4.12Å; L575-F601 HydrophobicContact CD2-CE2 3.69Å; L575-F601 HydrophobicContact CD2-CZ 3.62Å; L575-F601 HydrophobicContact CG-CE1 3.94Å; L575-F601 HydrophobicContact CG-CE2 4.2Å; L575-F601 HydrophobicContact CG-CZ 3.6Å; L597-F601 HydrophobicContact CD1-CD2 3.71Å; L597-F601 HydrophobicContact CD1-CE2 3.66Å; L597-F601 HydrophobicContact CG-CD2 4.27Å; L597-F601 PolarHBondContact O-N 2.75Å; L599-F601 PolarHBondContact O-N 3.49Å; F601-E603 VanDerWaalsContact C-N 3.35Å; F601-E603 PolarHBondContact O-N 2.9Å; F601-L604 HydrophobicContact CD1-CD1 4.29Å; F601-L604 HydrophobicContact CD2-CD1 4.43Å; F601-L604 HydrophobicContact CE1-CD1 4.19Å; F601-L604 HydrophobicContact CE2-CD1 4.33Å; F601-L604 HydrophobicContact CG-CD1 4.4Å; F601-L604 HydrophobicContact CZ-CD1 4.21Å; F601-L604 PolarHBondContact O-N 3.42Å; F601-I605 WeakPolarHBondContact O-CB 3.22Å; F601-I605 VanDerWaalsContact O-CD1 3.31Å; F601-I605 WeakPolarHBondContact O-CD1 3.43Å; F601-I605 WeakPolarHBondContact O-CG1 3.31Å; F601-I605 PolarHBondContact O-N 3.25Å; F601-F610 AromaticContact CD1-CD1 3.75Å; F601-F610 HydrophobicContact CD1-CD1 3.75Å; F601-F610 AromaticContact CD1-CE1 3.83Å; F601-F610 HydrophobicContact CD1-CE1 3.83Å; F601-F610 HydrophobicContact CD1-CG 4.09Å; F601-F610 HydrophobicContact CD1-CZ 4.24Å; F601-F610 AromaticContact CE1-CD1 3.96Å; F601-F610 HydrophobicContact CE1-CD1 3.96Å; F601-F610 AromaticContact CE1-CD2 3.91Å; F601-F610 HydrophobicContact CE1-CD2 3.91Å; F601-F610 AromaticContact CE1-CE1 3.92Å; F601-F610 HydrophobicContact CE1-CE1 3.92Å; F601-F610 AromaticContact CE1-CE2 3.86Å; F601-F610 HydrophobicContact CE1-CE2 3.86Å; F601-F610 AromaticContact CE1-CG 3.94Å; F601-F610 HydrophobicContact CE1-CG 3.94Å; F601-F610 AromaticContact CE1-CZ 3.85Å; F601-F610 HydrophobicContact CE1-CZ 3.85Å; F601-F739 HydrophobicContact CB-CD1 4.23Å; F601-F739 HydrophobicContact CB-CD2 3.79Å; F601-F739 HydrophobicContact CB-CE1 4.12Å; F601-F739 HydrophobicContact CB-CE2 3.65Å; F601-F739 HydrophobicContact CB-CG 4.08Å; F601-F739 HydrophobicContact CB-CZ 3.82Å; F601-F739 HydrophobicContact CD1-CD2 4.22Å; F601-F739 AromaticContact CD1-CE2 3.67Å; F601-F739 HydrophobicContact CD1-CE2 3.67Å; F601-F739 HydrophobicContact CD1-CZ 4.29Å; F601-F739 AromaticContact CD2-CE2 3.98Å; F601-F739 HydrophobicContact CD2-CE2 3.98Å; F601-F739 AromaticContact CD2-CZ 3.74Å; F601-F739 HydrophobicContact CD2-CZ 3.74Å; F601-F739 HydrophobicContact CE1-CE2 4.37Å; F601-F739 HydrophobicContact CE2-CZ 4.47Å; F601-F739 HydrophobicContact CG-CD2 4.05Å; F601-F739 HydrophobicContact CG-CE1 4.4Å; F601-F739 AromaticContact CG-CE2 3.44Å; F601-F739 HydrophobicContact CG-CE2 3.44Å; F601-F739 VanDerWaalsContact CG-CE2 3.44Å; F601-F739 AromaticContact CG-CZ 3.65Å; F601-F739 HydrophobicContact CG-CZ 3.65Å
602C94.5Very high93.7Very high18 Ų1823.8 Ų23.812%0.12212%0.119CC..Hα-helixtrans-59-45169-173.70000112.1V598 L599 L600 R606 P740 H843V598-C602 WeakPolarHBondContact O-CB 3.34Å; V598-C602 PolarHBondContact O-N 2.93Å; L599-C602 WeakPolarHBondContact O-CB 3.37Å; L599-C602 PolarHBondContact O-N 3.04Å; L600-C602 VanDerWaalsContact C-N 3.35Å; L600-C602 PolarHBondContact O-N 2.79Å; C602-R606 WeakPolarHBondContact O-CB 3.3Å; C602-R606 PolarHBondContact O-N 2.92Å; C602-P740 HydrophobicContact CB-CB 4.39Å; C602-P740 HydrophobicContact CB-CG 3.98Å; C602-H843 VanDerWaalsContact SG-CE1 3.51Å
603E95.2Very high93.7Very high3 Ų323.2 Ų23.21%0.01412%0.115CC..Hα-helixtrans-75-36-180-63.6-63151.700112.2A523 M524 A527 L599 L600 F601 I605 R606 H607 S888A523-E603 HydrophobicContact CB-CG 4.49Å; M524-E603 HydrophobicContact CG-CG 3.81Å; A527-E603 HydrophobicContact CB-CB 3.69Å; L599-E603 PolarHBondContact O-N 2.86Å; L599-E603 VanDerWaalsContact O-N 3.11Å; L600-E603 PolarHBondContact O-N 3.36Å; F601-E603 VanDerWaalsContact C-N 3.35Å; F601-E603 PolarHBondContact O-N 2.9Å; E603-I605 VanDerWaalsContact C-N 3.34Å; E603-I605 PolarHBondContact O-N 3.47Å; E603-R606 PolarHBondContact O-N 2.94Å; E603-H607 WeakPolarHBondContact O-CB 3.35Å; E603-H607 PolarHBondContact O-CD2 2.97Å; E603-H607 PolarHBondContact O-N 3.46Å; E603-H607 VanDerWaalsContact O-N 3.07Å; E603-S888 VanDerWaalsContact OE1-CB 3.29Å; E603-S888 WeakPolarHBondContact OE1-CB 3.45Å; E603-S888 PolarHBondContact OE1-OG 2.65Å; E603-S888 PolarHBondContact OE2-OG 3.1Å
604L96.2Very high93.7Very high0 Ų024.3 Ų24.30%012%0.121CC..Hα-helixtrans-64.5-35.1174.1-70.1169.2000113.1A527 L530 L571 L600 F601 V609 F610A527-L604 HydrophobicContact CB-CD2 4.28Å; L530-L604 HydrophobicContact CD1-CD2 4.02Å; L571-L604 HydrophobicContact CD1-CD1 4.17Å; L571-L604 HydrophobicContact CD1-CD2 4.42Å; L571-L604 HydrophobicContact CD2-CD1 3.96Å; L600-L604 HydrophobicContact CD1-CD1 3.86Å; L600-L604 HydrophobicContact CD1-CG 4.04Å; L600-L604 HydrophobicContact CD2-CD1 4.42Å; L600-L604 HydrophobicContact CG-CD1 3.76Å; L600-L604 HydrophobicContact CG-CG 4.36Å; L600-L604 WeakPolarHBondContact O-CG 3.48Å; L600-L604 PolarHBondContact O-N 3.23Å; F601-L604 HydrophobicContact CD1-CD1 4.29Å; F601-L604 HydrophobicContact CD2-CD1 4.43Å; F601-L604 HydrophobicContact CE1-CD1 4.19Å; F601-L604 HydrophobicContact CE2-CD1 4.33Å; F601-L604 HydrophobicContact CG-CD1 4.4Å; F601-L604 HydrophobicContact CZ-CD1 4.21Å; F601-L604 PolarHBondContact O-N 3.42Å; L604-V609 HydrophobicContact CB-CB 4.49Å; L604-V609 HydrophobicContact CD2-CB 3.86Å; L604-V609 HydrophobicContact CD2-CG1 3.75Å; L604-V609 HydrophobicContact CD2-CG2 4.41Å; L604-V609 PolarHBondContact O-N 3.24Å; L604-F610 HydrophobicContact CB-CB 4Å; L604-F610 PolarHBondContact O-N 2.68Å; L604-F610 VanDerWaalsContact O-N 3.14Å
605I93.7Very high93.6Very high10 Ų1024.3 Ų24.35%0.05112%0.121CC..Hα-helixtrans-73.1-40.9173.7-65.2161.9000110.4F601 E603 H607 D608 F610 H612 P740 P742F601-I605 WeakPolarHBondContact O-CB 3.22Å; F601-I605 VanDerWaalsContact O-CD1 3.31Å; F601-I605 WeakPolarHBondContact O-CD1 3.43Å; F601-I605 WeakPolarHBondContact O-CG1 3.31Å; F601-I605 PolarHBondContact O-N 3.25Å; E603-I605 VanDerWaalsContact C-N 3.34Å; E603-I605 PolarHBondContact O-N 3.47Å; I605-H607 PolarHBondContact O-N 2.87Å; I605-D608 PolarHBondContact O-N 3.05Å; I605-F610 HydrophobicContact CD1-CD1 4.41Å; I605-F610 HydrophobicContact CG1-CD1 3.93Å; I605-F610 WeakPolarHBondContact CG1-O 3.24Å; I605-H612 HydrophobicContact CD1-CB 4.05Å; I605-H612 HydrophobicContact CG1-CB 4.43Å; I605-P740 WeakPolarHBondContact CD1-O 3.41Å; I605-P742 HydrophobicContact CG2-CG 4.21Å
606R91.3Very high93.4Very high106 Ų10622 Ų2240%0.411%0.111SC..Hα-helixtrans-61.8-27.8177.1170.4173.9164.698.4-20.6113.7C602 E603 D892C602-R606 WeakPolarHBondContact O-CB 3.3Å; C602-R606 PolarHBondContact O-N 2.92Å; E603-R606 PolarHBondContact O-N 2.94Å; R606-D892 IonicContact CZ-OD2 3.75Å; R606-D892 IonicContact NH1-OD2 3.66Å; R606-D892 PolarHBondContact NH1-OD2 2.89Å; R606-D892 IonicContact NH2-OD1 3.33Å; R606-D892 IonicContact NH2-OD2 2.79Å; R606-D892 PolarHBondContact NH2-OD2 3.16Å
607H92Very high93.2Very high29 Ų2922.9 Ų22.913%0.13412%0.119CC..THydrogen-bonded Turntrans-105.117.8-177.4-78.2-76.9000113.8E531 E603 I605 V609E531-H607 HydrophobicContact CB-CB 4.33Å; E531-H607 IonicContact OE1-CE1 2.65Å; E531-H607 IonicContact OE1-CG 2.78Å; E531-H607 IonicContact OE1-ND1 2.7Å; E531-H607 PolarHBondContact OE1-ND1 3.4Å; E531-H607 IonicContact OE2-CE1 2.67Å; E531-H607 IonicContact OE2-ND1 3.52Å; E531-H607 PolarHBondContact OE2-ND1 3.23Å; E603-H607 WeakPolarHBondContact O-CB 3.35Å; E603-H607 PolarHBondContact O-CD2 2.97Å; E603-H607 PolarHBondContact O-N 3.46Å; E603-H607 VanDerWaalsContact O-N 3.07Å; I605-H607 PolarHBondContact O-N 2.87Å; H607-V609 HydrophobicContact CB-CG2 4.14Å; H607-V609 WeakPolarHBondContact O-CG2 3.41Å; H607-V609 PolarHBondContact O-N 3.48Å
608D92.3Very high92.9Very high122 Ų12224.5 Ų24.565%0.65213%0.129SC*.THydrogen-bonded Turntrans52.126.6179.2-73.6-46.4000115.1Q534 P565 I605Q534-D608 PolarHBondContact NE2-O 2.9Å; Q534-D608 VanDerWaalsContact NE2-O 3.12Å; P565-D608 WeakPolarHBondContact CB-O 3.48Å; P565-D608 WeakPolarHBondContact CG-O 3.33Å; I605-D608 PolarHBondContact O-N 3.05Å
609V94.4Very high92.6Very high0 Ų024.6 Ų24.60%013%0.129CC..SBendtrans-86.4-21.9173.5-170.60000110.9L530 E531 P565 F567 L571 L604 H607L530-V609 HydrophobicContact CB-CG1 3.64Å; L530-V609 HydrophobicContact CB-CG2 4.31Å; L530-V609 HydrophobicContact CD1-CG1 4.21Å; E531-V609 HydrophobicContact CB-CG2 4.1Å; P565-V609 WeakPolarHBondContact CB-O 2.92Å; F567-V609 HydrophobicContact CB-CG1 4.43Å; F567-V609 HydrophobicContact CD2-CG1 4.15Å; L571-V609 HydrophobicContact CD1-CG1 4.09Å; L604-V609 HydrophobicContact CB-CB 4.49Å; L604-V609 HydrophobicContact CD2-CB 3.86Å; L604-V609 HydrophobicContact CD2-CG1 3.75Å; L604-V609 HydrophobicContact CD2-CG2 4.41Å; L604-V609 PolarHBondContact O-N 3.24Å; H607-V609 HydrophobicContact CB-CG2 4.14Å; H607-V609 WeakPolarHBondContact O-CG2 3.41Å; H607-V609 PolarHBondContact O-N 3.48Å
610F95.1Very high92.1Very high2 Ų229.1 Ų29.11%0.00915%0.152CC..SBendtrans-142118.5179.2-172.9-100.3000112.4L571 L575 F601 L604 I605 H612 Y615L571-F610 HydrophobicContact CB-CD2 3.67Å; L571-F610 HydrophobicContact CB-CE2 3.93Å; L571-F610 HydrophobicContact CD1-CB 4.01Å; L571-F610 HydrophobicContact CD1-CD2 3.9Å; L571-F610 HydrophobicContact CD1-CG 4.4Å; L571-F610 HydrophobicContact CG-CD2 4.45Å; L575-F610 HydrophobicContact CD1-CE1 4.38Å; L575-F610 HydrophobicContact CD1-CE2 4.16Å; L575-F610 HydrophobicContact CD1-CZ 3.61Å; F601-F610 AromaticContact CD1-CD1 3.75Å; F601-F610 HydrophobicContact CD1-CD1 3.75Å; F601-F610 AromaticContact CD1-CE1 3.83Å; F601-F610 HydrophobicContact CD1-CE1 3.83Å; F601-F610 HydrophobicContact CD1-CG 4.09Å; F601-F610 HydrophobicContact CD1-CZ 4.24Å; F601-F610 AromaticContact CE1-CD1 3.96Å; F601-F610 HydrophobicContact CE1-CD1 3.96Å; F601-F610 AromaticContact CE1-CD2 3.91Å; F601-F610 HydrophobicContact CE1-CD2 3.91Å; F601-F610 AromaticContact CE1-CE1 3.92Å; F601-F610 HydrophobicContact CE1-CE1 3.92Å; F601-F610 AromaticContact CE1-CE2 3.86Å; F601-F610 HydrophobicContact CE1-CE2 3.86Å; F601-F610 AromaticContact CE1-CG 3.94Å; F601-F610 HydrophobicContact CE1-CG 3.94Å; F601-F610 AromaticContact CE1-CZ 3.85Å; F601-F610 HydrophobicContact CE1-CZ 3.85Å; L604-F610 HydrophobicContact CB-CB 4Å; L604-F610 PolarHBondContact O-N 2.68Å; L604-F610 VanDerWaalsContact O-N 3.14Å; I605-F610 HydrophobicContact CD1-CD1 4.41Å; I605-F610 HydrophobicContact CG1-CD1 3.93Å; I605-F610 WeakPolarHBondContact CG1-O 3.24Å; F610-H612 PolarHBondContact O-N 3.35Å; F610-Y615 HydrophobicContact CE1-CD1 4.38Å; F610-Y615 HydrophobicContact CE1-CG 4.07Å; F610-Y615 HydrophobicContact CZ-CD1 4.48Å; F610-Y615 HydrophobicContact CZ-CD2 4.01Å; F610-Y615 AromaticContact CZ-CG 3.81Å; F610-Y615 HydrophobicContact CZ-CG 3.81Å
611S92.4Very high91.6Very high29 Ų2933.9 Ų33.920%0.20319%0.185CC..  trans-84.1112.4176.6179.20000111.4N613 M614 Y615S611-N613 VanDerWaalsContact C-N 3.32Å; S611-N613 PolarHBondContact O-N 3.38Å; S611-M614 PolarHBondContact O-N 3.06Å; S611-M614 PolarHBondContact OG-N 3.22Å; S611-Y615 PolarHBondContact O-N 3.12Å
612H90.7Very high91.1Very high2 Ų239.1 Ų39.11%0.00921%0.205CC..Hα-helixtrans-64.4-35.4173.9-170.8-73.6000112.1I605 F610 Y615 T616 I741I605-H612 HydrophobicContact CD1-CB 4.05Å; I605-H612 HydrophobicContact CG1-CB 4.43Å; F610-H612 PolarHBondContact O-N 3.35Å; H612-Y615 PolarHBondContact O-N 3.01Å; H612-T616 PolarHBondContact CE1-OG1 3.13Å; H612-T616 PolarHBondContact ND1-OG1 3.33Å; H612-T616 WeakPolarHBondContact O-CB 3.46Å; H612-T616 PolarHBondContact O-N 3.42Å; H612-T616 PolarHBondContact O-OG1 2.91Å; H612-I741 HydrophobicContact CB-CG1 4.43Å; H612-I741 WeakPolarHBondContact ND1-CD1 3.29Å
613N88.6Confident90.4Very high34 Ų3440.2 Ų40.218%0.18222%0.219CC..Hα-helixtrans-60.2-45.4170.9177.485.4000112S611 Y615 T616 C617 H749 E750 Q753S611-N613 VanDerWaalsContact C-N 3.32Å; S611-N613 PolarHBondContact O-N 3.38Å; N613-Y615 PolarHBondContact O-N 3.45Å; N613-T616 PolarHBondContact O-N 3.06Å; N613-C617 PolarHBondContact O-N 3.29Å; N613-C617 PolarHBondContact O-SG 2.95Å; N613-H749 PolarHBondContact OD1-CE1 3.5Å; N613-E750 HydrophobicContact CB-CG 3.99Å; N613-E750 WeakPolarHBondContact CB-OE1 3.43Å; N613-E750 PolarHBondContact N-OE1 2.91Å; N613-E750 VanDerWaalsContact N-OE1 3.14Å; N613-Q753 PolarHBondContact OD1-NE2 2.9Å
614M90.9Very high89.3Confident67 Ų6743.1 Ų43.133%0.3324%0.235SC..Hα-helixtrans-64.6-41.1179.1-160.261.165.600112.3Q568 S611 C617 T618Q568-M614 HydrophobicContact CG-CG 4.29Å; S611-M614 PolarHBondContact O-N 3.06Å; S611-M614 PolarHBondContact OG-N 3.22Å; M614-C617 PolarHBondContact O-N 3.31Å; M614-T618 WeakPolarHBondContact O-CB 3.34Å; M614-T618 PolarHBondContact O-N 3.33Å; M614-T618 PolarHBondContact O-OG1 3.09Å
615Y92Very high88.1Confident0 Ų044.4 Ų44.40%024%0.242CC..Hα-helixtrans-55.9-49.3170.2174.8-124.1000111.9L572 L575 F610 S611 H612 N613 C617 T618 L619 H732L572-Y615 HydrophobicContact CD1-CD2 3.64Å; L572-Y615 HydrophobicContact CD1-CE2 4.22Å; L575-Y615 HydrophobicContact CD1-CD2 4.18Å; L575-Y615 HydrophobicContact CD1-CE2 3.82Å; F610-Y615 HydrophobicContact CE1-CD1 4.38Å; F610-Y615 HydrophobicContact CE1-CG 4.07Å; F610-Y615 HydrophobicContact CZ-CD1 4.48Å; F610-Y615 HydrophobicContact CZ-CD2 4.01Å; F610-Y615 AromaticContact CZ-CG 3.81Å; F610-Y615 HydrophobicContact CZ-CG 3.81Å; S611-Y615 PolarHBondContact O-N 3.12Å; H612-Y615 PolarHBondContact O-N 3.01Å; N613-Y615 PolarHBondContact O-N 3.45Å; Y615-C617 PolarHBondContact O-N 2.67Å; Y615-T618 PolarHBondContact O-N 2.95Å; Y615-T618 VanDerWaalsContact O-N 3.13Å; Y615-L619 HydrophobicContact CD1-CD1 4.32Å; Y615-L619 HydrophobicContact CD2-CD1 4.4Å; Y615-L619 HydrophobicContact CD2-CG 4.33Å; Y615-L619 HydrophobicContact CE1-CD1 3.81Å; Y615-L619 HydrophobicContact CE2-CD1 3.91Å; Y615-L619 HydrophobicContact CE2-CD2 4.08Å; Y615-L619 HydrophobicContact CE2-CG 4.02Å; Y615-L619 WeakPolarHBondContact O-CG 3.31Å; Y615-L619 PolarHBondContact O-N 2.88Å; Y615-H732 AromaticContact CE2-ND1 3.75Å; Y615-H732 AromaticContact CZ-ND1 3.85Å; Y615-H732 PolarHBondContact OH-ND1 3.17Å
616T89Confident86.4Confident4 Ų448 Ų483%0.02527%0.273CS..Hα-helixtrans-62.2-44.8-179.8-54.80000111.5H612 N613 T618 L619 I620 Q753 V757H612-T616 PolarHBondContact CE1-OG1 3.13Å; H612-T616 PolarHBondContact ND1-OG1 3.33Å; H612-T616 WeakPolarHBondContact O-CB 3.46Å; H612-T616 PolarHBondContact O-N 3.42Å; H612-T616 PolarHBondContact O-OG1 2.91Å; N613-T616 PolarHBondContact O-N 3.06Å; T616-T618 VanDerWaalsContact C-N 3.28Å; T616-T618 PolarHBondContact O-N 3.21Å; T616-L619 PolarHBondContact O-N 3.47Å; T616-I620 HydrophobicContact CG2-CD1 4.22Å; T616-I620 VanDerWaalsContact O-CG1 3.3Å; T616-I620 WeakPolarHBondContact O-CG1 3.34Å; T616-I620 PolarHBondContact O-N 3.09Å; T616-I620 VanDerWaalsContact O-N 3.11Å; T616-Q753 HydrophobicContact CG2-CB 4.16Å; T616-V757 HydrophobicContact CG2-CG2 3.85Å
617C89.1Confident84.6Confident49 Ų4950.2 Ų50.233%0.33129%0.286SS..Hα-helixtrans-61.2-35.9174.4-67.60000112.6N613 M614 Y615 I620 S621N613-C617 PolarHBondContact O-N 3.29Å; N613-C617 PolarHBondContact O-SG 2.95Å; M614-C617 PolarHBondContact O-N 3.31Å; Y615-C617 PolarHBondContact O-N 2.67Å; C617-I620 PolarHBondContact O-N 3.33Å; C617-S621 PolarHBondContact O-N 3.43Å; C617-S621 PolarHBondContact O-OG 2.97Å
618T89.7Confident82Confident34 Ų3451.9 Ų51.921%0.20931%0.311CS..Hα-helixtrans-71.9-38.4178.8-56.10000112.4L572 M614 Y615 T616 I620 S621 R622L572-T618 HydrophobicContact CD2-CG2 3.82Å; M614-T618 WeakPolarHBondContact O-CB 3.34Å; M614-T618 PolarHBondContact O-N 3.33Å; M614-T618 PolarHBondContact O-OG1 3.09Å; Y615-T618 PolarHBondContact O-N 2.95Å; Y615-T618 VanDerWaalsContact O-N 3.13Å; T616-T618 VanDerWaalsContact C-N 3.28Å; T616-T618 PolarHBondContact O-N 3.21Å; T618-I620 VanDerWaalsContact C-N 3.32Å; T618-I620 PolarHBondContact O-N 3.18Å; T618-S621 PolarHBondContact O-N 3.21Å; T618-S621 PolarHBondContact O-OG 2.63Å; T618-S621 VanDerWaalsContact O-OG 3.06Å; T618-R622 HydrophobicContact CG2-CG 4.35Å; T618-R622 WeakPolarHBondContact O-CB 3.22Å; T618-R622 WeakPolarHBondContact O-CG 3.31Å; T618-R622 PolarHBondContact O-N 3Å
619L88Confident79Confident3 Ų352.3 Ų52.32%0.01632%0.318CS..Hα-helixtrans-63.8-38.7172.7-66.3177.1000112Y615 T616 G623 D624 L625 H732Y615-L619 HydrophobicContact CD1-CD1 4.32Å; Y615-L619 HydrophobicContact CD2-CD1 4.4Å; Y615-L619 HydrophobicContact CD2-CG 4.33Å; Y615-L619 HydrophobicContact CE1-CD1 3.81Å; Y615-L619 HydrophobicContact CE2-CD1 3.91Å; Y615-L619 HydrophobicContact CE2-CD2 4.08Å; Y615-L619 HydrophobicContact CE2-CG 4.02Å; Y615-L619 WeakPolarHBondContact O-CG 3.31Å; Y615-L619 PolarHBondContact O-N 2.88Å; T616-L619 PolarHBondContact O-N 3.47Å; L619-G623 PolarHBondContact O-N 3.25Å; L619-D624 HydrophobicContact CD2-CB 4.12Å; L619-D624 PolarHBondContact O-N 3Å; L619-L625 HydrophobicContact CB-CD1 3.85Å; L619-L625 HydrophobicContact CB-CG 4.18Å; L619-L625 HydrophobicContact CD1-CD1 3.99Å; L619-L625 HydrophobicContact CD1-CD2 4.28Å; L619-L625 HydrophobicContact CD1-CG 4.39Å; L619-H732 HydrophobicContact CD1-CB 4.16Å; L619-H732 HydrophobicContact CD2-CB 3.61Å
620I85.9Confident76Confident100 Ų10058.9 Ų58.951%0.51336%0.361SS..Hα-helixtrans-64.9-42.2175-65.9164.1000110.8T616 C617 T618 V757T616-I620 HydrophobicContact CG2-CD1 4.22Å; T616-I620 VanDerWaalsContact O-CG1 3.3Å; T616-I620 WeakPolarHBondContact O-CG1 3.34Å; T616-I620 PolarHBondContact O-N 3.09Å; T616-I620 VanDerWaalsContact O-N 3.11Å; C617-I620 PolarHBondContact O-N 3.33Å; T618-I620 VanDerWaalsContact C-N 3.32Å; T618-I620 PolarHBondContact O-N 3.18Å; I620-V757 HydrophobicContact CD1-CG2 3.78Å; I620-V757 HydrophobicContact CG1-CG2 4.03Å
621S86.5Confident72.8Confident99 Ų9961.3 Ų61.369%0.69239%0.386SS*.Hα-helixtrans-74.9-29.8-177.5700000113.8C617 T618C617-S621 PolarHBondContact O-N 3.43Å; C617-S621 PolarHBondContact O-OG 2.97Å; T618-S621 PolarHBondContact O-N 3.21Å; T618-S621 PolarHBondContact O-OG 2.63Å; T618-S621 VanDerWaalsContact O-OG 3.06Å
622R86Confident70Confident110 Ų11066.1 Ų66.142%0.41542%0.417SS..Hα-helixtrans-80.5-31.7172.9-69177.3175-175.1-3.3113.5D576 T618 D624D576-R622 IonicContact OD1-CZ 3.47Å; D576-R622 IonicContact OD1-NH1 2.59Å; D576-R622 PolarHBondContact OD1-NH1 3.35Å; D576-R622 IonicContact OD1-NH2 3.97Å; D576-R622 IonicContact OD2-CZ 3.55Å; D576-R622 IonicContact OD2-NH1 3.41Å; D576-R622 PolarHBondContact OD2-NH1 3.3Å; D576-R622 IonicContact OD2-NH2 2.76Å; D576-R622 PolarHBondContact OD2-NH2 3.04Å; T618-R622 HydrophobicContact CG2-CG 4.35Å; T618-R622 WeakPolarHBondContact O-CB 3.22Å; T618-R622 WeakPolarHBondContact O-CG 3.31Å; T618-R622 PolarHBondContact O-N 3Å; R622-D624 VanDerWaalsContact CB-OD2 3.23Å; R622-D624 WeakPolarHBondContact CB-OD2 3.38Å; R622-D624 WeakPolarHBondContact CD-OD2 3.37Å; R622-D624 IonicContact NH1-OD2 2.8Å
623G78.9Confident67Low41 Ų4177.1 Ų77.142%0.42346%0.458SS..THydrogen-bonded Turntrans83.916.4-176.300000114.8L619 L625 A626L619-G623 PolarHBondContact O-N 3.25Å; G623-L625 PolarHBondContact O-N 3.43Å; G623-A626 PolarHBondContact O-N 2.76Å
624D73.1Confident64.1Low64 Ų6481 Ų8134%0.34249%0.485SS..THydrogen-bonded Turntrans-64.8-5.2-171.7-64.8-36.2000115.1L619 R622L619-D624 HydrophobicContact CD2-CB 4.12Å; L619-D624 PolarHBondContact O-N 3Å; R622-D624 VanDerWaalsContact CB-OD2 3.23Å; R622-D624 WeakPolarHBondContact CB-OD2 3.38Å; R622-D624 WeakPolarHBondContact CD-OD2 3.37Å; R622-D624 IonicContact NH1-OD2 2.8Å
625L69.9Low61.2Low27 Ų2783.7 Ų83.714%0.14151%0.508CS..THydrogen-bonded Turntrans-108.88-176.7-55.9175.1000113.4L619 G623 F627 H732 V733 V757L619-L625 HydrophobicContact CB-CD1 3.85Å; L619-L625 HydrophobicContact CB-CG 4.18Å; L619-L625 HydrophobicContact CD1-CD1 3.99Å; L619-L625 HydrophobicContact CD1-CD2 4.28Å; L619-L625 HydrophobicContact CD1-CG 4.39Å; G623-L625 PolarHBondContact O-N 3.43Å; L625-F627 PolarHBondContact O-N 2.93Å; L625-F627 VanDerWaalsContact O-N 3.15Å; L625-H732 HydrophobicContact CD2-CB 4.08Å; L625-V733 HydrophobicContact CD2-CB 4.41Å; L625-V733 HydrophobicContact CD2-CG2 3.59Å; L625-V757 HydrophobicContact CD1-CG1 3.18Å
626A58Low58.2Low85 Ų8588.5 Ų88.570%0.70254%0.541SS*.  trans-69.8108.3177.700000111.3G623 G628G623-A626 PolarHBondContact O-N 2.76Å; A626-G628 PolarHBondContact O-N 3.17Å
627F53.3Low55.5Low153 Ų15394 Ų9467%0.67158%0.577SS**  trans-69.467.4173.3-69.2-84.6000112.3L625 V733L625-F627 PolarHBondContact O-N 2.93Å; L625-F627 VanDerWaalsContact O-N 3.15Å; F627-V733 HydrophobicContact CZ-CG1 3.88Å; F627-V733 HydrophobicContact CZ-CG2 4.26Å
628G38.7Very low52.6Low64 Ų64100.4 Ų100.466%0.6660%0.6SS**  trans-100.4130.1172.900000111.7A626A626-G628 PolarHBondContact O-N 3.17Å
629T28.4Very low49.8Very low132 Ų132106.1 Ų106.181%0.8163%0.629SS**  trans-55.2150.4161.941.50000110.7G631T629-G631 PolarHBondContact O-N 2.97Å
630P31.3Very low47Very low138 Ų138113.7 Ų113.790%0.89667%0.67SS**  trans-72.870.4-178.131.5-36.9000112.6
631G29Very low44.4Very low52 Ų52114.9 Ų114.954%0.53668%0.684SS.*PPolyproline II helixtrans-73.9145.5156.600000109.6T629 R633T629-G631 PolarHBondContact O-N 2.97Å; G631-R633 PolarHBondContact O-N 3.11Å
632P32.8Very low41.9Very low130 Ų130114.8 Ų114.884%0.84469%0.689SS**PPolyproline II helixtrans-62.9129.9177.526.8-33.6000110
633R28.3Very low39.4Very low233 Ų233116.7 Ų116.788%0.87971%0.707SS**PPolyproline II helixtrans-59.8142.5167.9-72.4-177.1179174.1-0.9108.8G631G631-R633 PolarHBondContact O-N 3.11Å
634P27.6Very low37.1Very low116 Ų116121.9 Ų121.975%0.75373%0.726SS**PPolyproline II helixtrans-61140.3172.227.5-34.3000109.6
635P29.3Very low35.1Very low124 Ų124123.8 Ų123.881%0.80574%0.741SS**PPolyproline II helixtrans-66.4141.7178.228-34.3000110.7
636S30.6Very low33.1Very low101 Ų101129.1 Ų129.171%0.70677%0.765SS**PPolyproline II helixtrans-66.9141.2166.152.10000109.8F638S636-F638 PolarHBondContact O-N 3.33Å
637P30.2Very low31.9Very low120 Ų120134.8 Ų134.878%0.77977%0.769SS**SBendtrans-81.552.1-165.134.5-39000114.3
638F29.3Very low31Very low183 Ų183136.8 Ų136.880%0.80378%0.777SS**  trans-155.785.7170.3-85.2-69.8000111.3S636S636-F638 PolarHBondContact O-N 3.33Å
639D30Very low30.5Very low154 Ų154142 Ų14282%0.82478%0.784SS**  176.8146.1126.4-94.2-26.8000110.5
640D30.7Very low30.6Very low162 Ų162140.6 Ų140.687%0.86679%0.786SS**  trans-77.9137-179.3-77.8-61.6000112.5
641P30.2Very low30.6Very low125 Ų125143.3 Ų143.381%0.81279%0.787SS**  trans-86.2131.5169.833.4-31.2000111.5
642A35Very low30.7Very low97 Ų97144.2 Ų144.280%0.80280%0.796SS**  trans-134.1130.917100000111.5
643D32.6Very low30.6Very low150 Ų150144.1 Ų144.180%0.80280%0.799SS**  trans-31.8137.7-176.3-56-64.1000119
644D30.4Very low30.7Very low150 Ų150138.6 Ų138.680%0.80280%0.796SS**  -161.3107.6107.5-157-15.3000112.2
645P30.8Very low30.8Very low104 Ų104138.2 Ų138.268%0.67580%0.796SS**  trans-124.5102.7179.536.6-21.6000114.6
646E29.8Very low30.7Very low138 Ų138137 Ų13765%0.64579%0.79SS**  trans-125.295168.9-77.9-134.9102.200114.9
647R32.4Very low30.8Very low204 Ų204141.5 Ų141.577%0.7780%0.797SS**  69.3152.1128.6-66.2164.6178.1161.9-1.5118.6
648K33.1Very low30.9Very low195 Ų195143.1 Ų143.185%0.84880%0.798SS**  cis-145.1140.318.9-154.3171.2-175.4179.10113.4
649E27.8Very low31Very low174 Ų174143.2 Ų143.281%0.81380%0.801SS**  trans-88.2175.4179.7-59.8158108.700112.9
650A31Very low30.9Very low103 Ų103143.1 Ų143.185%0.85180%0.801SS**  trans-113.2124.7152.100000108.6
651E32.1Very low31.4Very low195 Ų195140.8 Ų140.891%0.91179%0.794SS**  trans-80.6161.5-168.7-59.2171.8113.500113.7
652G31.4Very low31.3Very low71 Ų71137.8 Ų137.873%0.73279%0.786SS**  trans-151.9-19.3-174.800000120.8
653S30.3Very low31.2Very low128 Ų128141.3 Ų141.390%0.89579%0.791SS**  trans63.7157.2177.7-87.90000116.8
654S31.2Very low31Very low116 Ų116139.3 Ų139.381%0.81179%0.788SS**  cis-152.7171.7-0.847.30000112.4
655S28.1Very low31Very low108 Ų108141.1 Ų141.176%0.75579%0.792SS**  trans-88.7-167.3-172.469.20000114.7
656S28.7Very low30.9Very low98 Ų98140.8 Ų140.869%0.68579%0.792SS**  cis-175.1149.29.124.60000111.8
657K32.1Very low30.9Very low196 Ų196142 Ų14285%0.85280%0.8SS**  trans151.7130.7141.8-86.5177.8178.4-168.30110.3
658L31.6Very low30.8Very low154 Ų154137.7 Ų137.781%0.80679%0.792SS**  63.1134.555.4-108.971.1000112.9
659E31.2Very low30.7Very low186 Ų186135 Ų13587%0.86979%0.786SS**  cis-132.6-159.625.9-62.8177.9114.900114.8
660D27.9Very low30.8Very low152 Ų152133.6 Ų133.681%0.81378%0.784SS**  trans-132.8-149.1-143-155.723.2000114.8
661P41.7Very low31.2Very low112 Ų112133.5 Ų133.573%0.72778%0.775SS**  -134.4-170.6-122.445.7-25.6000118.3
662G28.7Very low31.1Very low63 Ų63129.2 Ų129.265%0.64977%0.766SS**  trans170.9117.9163.600000111
663L32.1Very low31Very low171 Ų171130.7 Ų130.790%0.89577%0.765SS**  62.513169.4-60.1-179.6000113.7
664S28.5Very low30.9Very low107 Ų107129.5 Ų129.575%0.74876%0.757SS**  cis-172.1-174.1-3.347.60000111.7
665E31.4Very low30.8Very low189 Ų189130.1 Ų130.188%0.88376%0.755SS**  trans92.8170.3159.5-144.6155-142.600118.9
666S27.4Very low30.8Very low97 Ų97132 Ų13268%0.67876%0.756SS**  trans-149.8179.6-144.656.30000116
667M30.3Very low30.7Very low162 Ų162136.1 Ų136.180%0.79876%0.762SS**  trans75.2149.2174-59.2177.668.100115.9
668D30.5Very low30.7Very low114 Ų114135.7 Ų135.761%0.6176%0.763SS**  cis-166.9159.2-21.4-113.7-35.8000110.7
669I30.6Very low30.5Very low139 Ų139135 Ų13571%0.71376%0.76SS**  trans61133.6144.5-66.8167.1000118.5
670D31Very low30.6Very low144 Ų144133.2 Ų133.277%0.7775%0.754SS**  -168.3178.581.7-128.4-7.8000111.9
671P37.5Very low30.8Very low102 Ų102134.1 Ų134.166%0.66275%0.753SS**  -140.3-146.7-126.844-20.3000116.2
672S31.3Very low30Very low105 Ų105138.2 Ų138.273%0.73476%0.759SS**  trans82.6111.2171.177.10000116.4
673S29.2Very low30.5Very low101 Ų101140.5 Ų140.571%0.70676%0.763SS**  76.4117.474.774.50000114.4
674S27.1Very low30.3Very low104 Ų104138.4 Ų138.473%0.72775%0.752SS**  72.3138.751.980.60000113.8
675V29.6Very low30.3Very low128 Ų128141.4 Ų141.478%0.77675%0.752SS**  cis-148.8-167.124.9-151.50000110.7
676L29.5Very low30.1Very low148 Ų148136.7 Ų136.778%0.77574%0.74SS**  trans96.6118.3167.6-54.7175.2000116
677F26.5Very low30.1Very low184 Ų184139 Ų13981%0.80774%0.744SS**  69.5133.573.7-85.4-98.5000112.2
678E31.1Very low30.1Very low187 Ų187140.3 Ų140.387%0.87475%0.746SS**  -153.1177.756.3-158.2170.216000113.6
679D28.4Very low30Very low139 Ų139139.9 Ų139.974%0.74375%0.751SS**  trans-66.6179.4168.3-87.8-70.6000111.6
680M32.2Very low30.2Very low150 Ų150138.7 Ų138.774%0.73975%0.753SS**  cis-172.8160.340.8-160.8153.96200114.3
681E31.4Very low30Very low171 Ų171138 Ų13880%0.79975%0.754SS**  trans73.9157153.9-91.9164-16800123.2
682K25.6Very low29.8Very low197 Ų197140.2 Ų140.286%0.85776%0.757SS**  trans-132.7-176.4-173.2-47.3170.6177.4167.80108.1
683P39Very low29.7Very low111 Ų111141.2 Ų141.272%0.72176%0.761SS**  cis-128.4-145.5-5.333.8-8.1000110.2
684D28.8Very low29.6Very low127 Ų127141.3 Ų141.368%0.67976%0.761SS**  cis-162.6-165.40.9-140.7-37.5000112.3
685F28.8Very low29.8Very low171 Ų171146 Ų14675%0.7577%0.771SS**  trans11.1137.3160.3-75.2-95.3000120.4
686S26.4Very low29.6Very low90 Ų90143 Ų14363%0.62977%0.766SS**  cis178.2137.9-12.4-110.60000109.3
687L27.9Very low29.4Very low145 Ų145146.4 Ų146.476%0.75978%0.775SS**  trans169.1148.4135.3-112.953.2000114.7
688F29.9Very low29.6Very low190 Ų190140.8 Ų140.883%0.83377%0.768SS**  trans58.4112.2154.8-71-58.2000123.6
689S27.7Very low29.4Very low104 Ų104137.4 Ų137.473%0.72777%0.766SS**  -73.2173.9128.3-30.40000110
690P35.9Very low29.8Very low115 Ų115137.3 Ų137.375%0.74777%0.773SS**  cis-130.1-161.115.538.9-15.6000112.2
691T27.5Very low29.5Very low128 Ų128135.6 Ų135.679%0.78578%0.775SS**  -162.2162.467.840.80000113.7
692M32.3Very low30Very low150 Ų150132.9 Ų132.974%0.73977%0.773SS**  trans-70.1167.9164-62.4-85.9-76.100111.5C694M692-C694 WeakPolarHBondContact CE-SG 3.38Å
693P28.9Very low30.3Very low125 Ų125131 Ų13181%0.81277%0.767SS**  -139.6159.198.238.6-27.8000115.2
694C27.9Very low29.9Very low103 Ų103134.3 Ų134.370%0.69677%0.77SS**  trans-110.2141.2161.4-63.90000109.7M692M692-C694 WeakPolarHBondContact CE-SG 3.38Å
695E30.7Very low30.3Very low203 Ų203133.4 Ų133.495%0.94977%0.771SS**  trans-139168.8157.2-83.2-132.6110.200109.4
696G26.2Very low30.3Very low65 Ų65132.2 Ų132.267%0.6777%0.772SS**  trans-179.5178.7175.300000114.1
697K25.4Very low30.6Very low220 Ų220133.5 Ų133.596%0.95778%0.776SS**  trans102.1148.5-172.9-63.7-178.5176-175.40114.7
698G29.2Very low30.8Very low65 Ų65133.3 Ų133.367%0.6777%0.771SS**  trans11081.4-164.300000109
699S28.3Very low30.8Very low117 Ų117131.9 Ų131.982%0.81877%0.765SS**  63.4123.766.7-50.50000112.3
700P35.9Very low30.9Very low137 Ų137133.6 Ų133.689%0.8977%0.766SS**  -136.7-176.797.839.4-28.5000115.5
701S26.2Very low30.7Very low113 Ų113134.1 Ų134.179%0.7977%0.767SS**  trans-92.3157.9-171.5-171.30000113.3
702P41.7Very low30.7Very low115 Ų115137.5 Ų137.575%0.74777%0.77SS**  trans-96.9165.7178.837.9-36.5000114.5
703E31.3Very low30.6Very low157 Ų157135.3 Ų135.373%0.73477%0.768SS**  trans-135.4111.9161.4-82.3-147.693.100114.4
704K30.7Very low30.7Very low180 Ų180134.9 Ų134.978%0.78377%0.765SS**  trans72.6155.7138.6-69.1174.3-177.4142.90122.9
705P37.2Very low30.8Very low109 Ų109136.1 Ų136.171%0.70877%0.771SS**  trans-132-173.6-160.744.2-26.3000114.8
706D29.1Very low30.7Very low145 Ų145136 Ų13678%0.77577%0.768SS**  -173.4156.2120.3-109.1-27.7000114.5
707V33.5Very low30.8Very low117 Ų117141 Ų14171%0.70977%0.774SS**  trans47.8128.7146.2176.30000119.9
708E31.9Very low30.8Very low141 Ų141140.7 Ų140.766%0.65977%0.772SS**  cis-155.3-169.6-4.8-123.7-169.4130.500113.1
709K29.2Very low30.8Very low160 Ų160144.6 Ų144.670%0.69678%0.776SS**  trans-48.2160.7-178.7-60.8148.1-170.91530114.9
710D30.7Very low30.9Very low141 Ų141147.3 Ų147.375%0.75478%0.776SS**  cis-161.3172.445.9-137.2-32.1000117.1
711V31.4Very low30.7Very low126 Ų126144 Ų14476%0.76477%0.767SS**  trans33.5116168.6-167.80000119.3
712K27.1Very low31.6Very low198 Ų198143 Ų14386%0.86176%0.756SS**  trans-141.8129162.4-159.3171.4-170.8170.90112.1
713P30.3Very low31.7Very low105 Ų105141.7 Ų141.768%0.68274%0.742SS**PPolyproline II helixtrans-72.2164.5175.230.2-34.6000112.3
714P30.9Very low32.8Very low115 Ų115136.3 Ų136.375%0.74773%0.729SS**PPolyproline II helixtrans-65155.9-171.925.8-35.8000113.8K716P714-K716 PolarHBondContact O-N 3.13Å
715P30.5Very low34.2Very low129 Ų129133 Ų13384%0.83872%0.719SS**PPolyproline II helixtrans-70.6120.2-177.529.1-34.1000111.3
716K28.4Very low35.6Very low200 Ų200129.4 Ų129.487%0.8769%0.693SS**PPolyproline II helixtrans-68.8149.8157.6-78.5-163.7167-156.70110.2P714P714-K716 PolarHBondContact O-N 3.13Å
717E27.4Very low37.8Very low172 Ų172124.2 Ų124.280%0.80466%0.663SS**PPolyproline II helixtrans-66.8136-175.9-65.7165.8119.300111.6I719E717-I719 HydrophobicContact CB-CG1 4.44Å; E717-I719 PolarHBondContact O-N 3.1Å; E717-I719 VanDerWaalsContact O-N 3.16Å
718K26Very low39.8Very low213 Ų213126.1 Ų126.193%0.92667%0.669SS**  trans-86.476175.6-79.8-169.5168.8-169.30110.8
719I30Very low42.1Very low147 Ų147121.1 Ų121.175%0.75465%0.646SS**  trans-120.349.8169.5-44-177.4000109.6E717E717-I719 HydrophobicContact CB-CG1 4.44Å; E717-I719 PolarHBondContact O-N 3.1Å; E717-I719 VanDerWaalsContact O-N 3.16Å
720E30.4Very low44.8Very low173 Ų173116.8 Ų116.881%0.80863%0.634SS**  trans-142.417.1-176.3-135.1171.5-160.900111.9T722E720-T722 PolarHBondContact O-N 3.34Å
721G30.3Very low47.6Very low67 Ų67112.1 Ų112.169%0.69161%0.606SS**THydrogen-bonded Turntrans-83.87.3-163.400000117.5
722T46.1Very low50.5Low94 Ų94106.7 Ų106.758%0.57757%0.572SS**THydrogen-bonded Turntrans-133.7-41.1-174.3-43.50000113E720 G724 I725E720-T722 PolarHBondContact O-N 3.34Å; T722-G724 PolarHBondContact O-N 2.89Å; T722-I725 PolarHBondContact O-N 2.63Å
723L44.2Very low53.5Low87 Ų8797.5 Ų97.546%0.45553%0.532SS..THydrogen-bonded Turntrans-62.3-40.6179.2-91160.4000113I725 L726 Y727L723-I725 PolarHBondContact O-N 3.07Å; L723-I725 VanDerWaalsContact O-N 3.1Å; L723-L726 HydrophobicContact CD2-CD1 4.38Å; L723-L726 PolarHBondContact O-N 3.36Å; L723-Y727 VanDerWaalsContact O-CD2 3.28Å; L723-Y727 WeakPolarHBondContact O-CD2 3.43Å
724G52.9Low56.4Low44 Ų4492.6 Ų92.645%0.45450%0.501SS..Hα-helixtrans-59.3-24.2-17900000114.6T722 L726T722-G724 PolarHBondContact O-N 2.89Å; G724-L726 VanDerWaalsContact C-N 3.28Å; G724-L726 PolarHBondContact O-N 2.94Å
725I61.3Low59.4Low109 Ų10987.1 Ų87.156%0.55947%0.465SS*.Hα-helixtrans-75.3-17.1-179.5-57.4173.8000111.6T722 L723 Q729T722-I725 PolarHBondContact O-N 2.63Å; L723-I725 PolarHBondContact O-N 3.07Å; L723-I725 VanDerWaalsContact O-N 3.1Å; I725-Q729 WeakPolarHBondContact O-CG 3.3Å; I725-Q729 PolarHBondContact O-NE2 3.33Å
726L66Low62.3Low34 Ų3481.2 Ų81.218%0.17843%0.427CS..Hα-helixtrans-80.3-32.7178.5-70.4164.7000113.1L723 G724 Q729 Q734L723-L726 HydrophobicContact CD2-CD1 4.38Å; L723-L726 PolarHBondContact O-N 3.36Å; G724-L726 VanDerWaalsContact C-N 3.28Å; G724-L726 PolarHBondContact O-N 2.94Å; L726-Q729 WeakPolarHBondContact O-CB 3.43Å; L726-Q729 PolarHBondContact O-N 2.98Å; L726-Q734 PolarHBondContact O-NE2 2.98Å
727Y76.2Confident65.3Low37 Ų3772.6 Ų72.615%0.14539%0.391CS..Hα-helixtrans-72.9-27.3-176.9-64.7-96.1000112.7L582 P585 L723 Q729L582-Y727 HydrophobicContact CB-CD1 3.77Å; L582-Y727 HydrophobicContact CB-CE1 3.67Å; L582-Y727 HydrophobicContact CD2-CE1 4.47Å; L582-Y727 HydrophobicContact CG-CE1 4.47Å; P585-Y727 VanDerWaalsContact CA-CE1 3.46Å; P585-Y727 HydrophobicContact CB-CD1 4.41Å; P585-Y727 HydrophobicContact CB-CD2 4.37Å; P585-Y727 HydrophobicContact CB-CE1 3.89Å; P585-Y727 HydrophobicContact CB-CE2 3.87Å; L723-Y727 VanDerWaalsContact O-CD2 3.28Å; L723-Y727 WeakPolarHBondContact O-CD2 3.43Å; Y727-Q729 VanDerWaalsContact C-N 3.31Å
728D74.4Confident68.4Low156 Ų15665.3 Ų65.383%0.83436%0.357SS*.THydrogen-bonded Turntrans-81.5-1.1173.3-83-25.6000113.5
729Q80.6Confident71.6Confident37 Ų3755.2 Ų55.217%0.17331%0.313CS..SBendtrans-88.1142.6-176.4-77.8171.144.200113.5I725 L726 Y727 V733 Q734I725-Q729 WeakPolarHBondContact O-CG 3.3Å; I725-Q729 PolarHBondContact O-NE2 3.33Å; L726-Q729 WeakPolarHBondContact O-CB 3.43Å; L726-Q729 PolarHBondContact O-N 2.98Å; Y727-Q729 VanDerWaalsContact C-N 3.31Å; Q729-V733 HydrophobicContact CB-CB 4.32Å; Q729-V733 HydrophobicContact CB-CG1 4.44Å; Q729-V733 HydrophobicContact CG-CG1 4.4Å; Q729-Q734 HydrophobicContact CB-CG 4.08Å; Q729-Q734 PolarHBondContact O-NE2 3.03Å
730P85.1Confident74.4Confident68 Ų6848.3 Ų48.344%0.44228%0.278SS..  trans-55.9144.1172.6-22.931.7000112.9H732 V733 Q734P730-H732 VanDerWaalsContact C-N 3.3Å; P730-H732 PolarHBondContact O-N 2.91Å; P730-H732 VanDerWaalsContact O-N 3.08Å; P730-V733 HydrophobicContact CB-CG2 4.11Å; P730-V733 HydrophobicContact CG-CG2 4.16Å; P730-V733 WeakPolarHBondContact O-CA 3.35Å; P730-V733 WeakPolarHBondContact O-CB 3.47Å; P730-V733 PolarHBondContact O-N 3.19Å; P730-Q734 PolarHBondContact O-N 2.89Å
731R90.4Very high77.2Confident43 Ų4340.2 Ų40.216%0.16224%0.24CC..Hα-helixtrans-43.8-48.1-17569.5-169.5-69.7132.114.6114.3L575 D576 A579 M581 V733 Q734 Y735L575-R731 PolarHBondContact O-NE 3.43Å; L575-R731 PolarHBondContact O-NH2 3.34Å; D576-R731 PolarHBondContact O-NE 3.06Å; D576-R731 PolarHBondContact O-NH1 3.47Å; A579-R731 PolarHBondContact O-NH2 3.13Å; M581-R731 HydrophobicContact CB-CB 4.3Å; M581-R731 HydrophobicContact CE-CB 3.74Å; M581-R731 HydrophobicContact CE-CG 4.5Å; M581-R731 HydrophobicContact SD-CB 3.92Å; R731-V733 PolarHBondContact O-N 3.23Å; R731-Q734 WeakPolarHBondContact O-CB 3.39Å; R731-Q734 PolarHBondContact O-N 3.41Å; R731-Y735 HydrophobicContact CB-CE2 3.84Å; R731-Y735 HydrophobicContact CG-CE2 4.09Å; R731-Y735 PolarHBondContact NH2-OH 3.05Å; R731-Y735 VanDerWaalsContact NH2-OH 3.12Å; R731-Y735 WeakPolarHBondContact O-CD1 3.49Å; R731-Y735 VanDerWaalsContact O-CD2 3.26Å; R731-Y735 WeakPolarHBondContact O-CD2 3.42Å; R731-Y735 PolarHBondContact O-N 3.28Å
732H92.1Very high79.7Confident13 Ų1338.9 Ų38.96%0.0622%0.219CC..Hα-helixtrans-72.2-24.8-178.2-61.9-74.4000114.2D576 Y615 L619 L625 P730 Y735 A736D576-H732 IonicContact OD1-CE1 3.49Å; D576-H732 PolarHBondContact OD1-CE1 3.18Å; D576-H732 VanDerWaalsContact OD1-CE1 3.3Å; D576-H732 IonicContact OD1-NE2 2.85Å; D576-H732 PolarHBondContact OD1-NE2 2.86Å; Y615-H732 AromaticContact CE2-ND1 3.75Å; Y615-H732 AromaticContact CZ-ND1 3.85Å; Y615-H732 PolarHBondContact OH-ND1 3.17Å; L619-H732 HydrophobicContact CD1-CB 4.16Å; L619-H732 HydrophobicContact CD2-CB 3.61Å; L625-H732 HydrophobicContact CD2-CB 4.08Å; P730-H732 VanDerWaalsContact C-N 3.3Å; P730-H732 PolarHBondContact O-N 2.91Å; P730-H732 VanDerWaalsContact O-N 3.08Å; H732-Y735 AromaticContact ND1-CD2 3.92Å; H732-A736 WeakPolarHBondContact O-CB 3.24Å; H732-A736 PolarHBondContact O-N 3.43Å
733V90Very high81.4Confident4 Ų436.3 Ų36.32%0.02420%0.201CC..Hα-helixtrans-69.3-43.3170.2-172.30000109.6L625 F627 Q729 P730 R731 T737 L758L625-V733 HydrophobicContact CD2-CB 4.41Å; L625-V733 HydrophobicContact CD2-CG2 3.59Å; F627-V733 HydrophobicContact CZ-CG1 3.88Å; F627-V733 HydrophobicContact CZ-CG2 4.26Å; Q729-V733 HydrophobicContact CB-CB 4.32Å; Q729-V733 HydrophobicContact CB-CG1 4.44Å; Q729-V733 HydrophobicContact CG-CG1 4.4Å; P730-V733 HydrophobicContact CB-CG2 4.11Å; P730-V733 HydrophobicContact CG-CG2 4.16Å; P730-V733 WeakPolarHBondContact O-CA 3.35Å; P730-V733 WeakPolarHBondContact O-CB 3.47Å; P730-V733 PolarHBondContact O-N 3.19Å; R731-V733 PolarHBondContact O-N 3.23Å; V733-T737 WeakPolarHBondContact O-CB 3.32Å; V733-T737 PolarHBondContact O-N 3.33Å; V733-T737 PolarHBondContact O-OG1 3.17Å; V733-L758 HydrophobicContact CG1-CD2 4.27Å
734Q91.7Very high83Confident3 Ų338.7 Ų38.71%0.01421%0.21CC..Hα-helixtrans-59.7-48174.2-55.7-17314.200110.9L582 F594 L726 Q729 P730 R731 T737 H738L582-Q734 PolarHBondContact O-NE2 3.15Å; F594-Q734 HydrophobicContact CE2-CB 4.16Å; F594-Q734 HydrophobicContact CZ-CB 4.22Å; L726-Q734 PolarHBondContact O-NE2 2.98Å; Q729-Q734 HydrophobicContact CB-CG 4.08Å; Q729-Q734 PolarHBondContact O-NE2 3.03Å; P730-Q734 PolarHBondContact O-N 2.89Å; R731-Q734 WeakPolarHBondContact O-CB 3.39Å; R731-Q734 PolarHBondContact O-N 3.41Å; Q734-T737 PolarHBondContact O-N 2.7Å; Q734-H738 PolarHBondContact O-CD2 3.47Å; Q734-H738 PolarHBondContact O-N 3.19Å
735Y93.7Very high84Confident0 Ų045.4 Ų45.40%023%0.229CC..Hα-helixtrans-63.4-51.5179.1-55.4-28000112.5L575 A579 P580 F594 L597 R731 H732 T737 H738 F739L575-Y735 HydrophobicContact CD2-CD2 4Å; L575-Y735 HydrophobicContact CD2-CE2 4.14Å; L575-Y735 HydrophobicContact CD2-CG 4.47Å; L575-Y735 WeakPolarHBondContact O-CE2 3.15Å; A579-Y735 PolarHBondContact O-OH 3.17Å; P580-Y735 VanDerWaalsContact O-CE1 3.27Å; P580-Y735 WeakPolarHBondContact O-CE1 3.36Å; P580-Y735 PolarHBondContact O-OH 3.33Å; F594-Y735 HydrophobicContact CD2-CE1 4.44Å; F594-Y735 AromaticContact CE2-CD1 3.95Å; F594-Y735 HydrophobicContact CE2-CD1 3.95Å; F594-Y735 AromaticContact CE2-CE1 3.97Å; F594-Y735 HydrophobicContact CE2-CE1 3.97Å; L597-Y735 HydrophobicContact CD2-CD1 3.84Å; L597-Y735 HydrophobicContact CD2-CE1 3.44Å; L597-Y735 VanDerWaalsContact CD2-CE1 3.44Å; R731-Y735 HydrophobicContact CB-CE2 3.84Å; R731-Y735 HydrophobicContact CG-CE2 4.09Å; R731-Y735 PolarHBondContact NH2-OH 3.05Å; R731-Y735 VanDerWaalsContact NH2-OH 3.12Å; R731-Y735 WeakPolarHBondContact O-CD1 3.49Å; R731-Y735 VanDerWaalsContact O-CD2 3.26Å; R731-Y735 WeakPolarHBondContact O-CD2 3.42Å; R731-Y735 PolarHBondContact O-N 3.28Å; H732-Y735 AromaticContact ND1-CD2 3.92Å; Y735-T737 PolarHBondContact O-N 2.97Å; Y735-H738 PolarHBondContact O-N 2.8Å; Y735-H738 VanDerWaalsContact O-N 3.08Å; Y735-F739 HydrophobicContact CD1-CE1 4.14Å; Y735-F739 HydrophobicContact CD1-CZ 4.11Å; Y735-F739 HydrophobicContact CG-CE1 4.3Å; Y735-F739 HydrophobicContact CG-CE2 4.43Å; Y735-F739 AromaticContact CG-CZ 3.94Å; Y735-F739 HydrophobicContact CG-CZ 3.94Å; Y735-F739 WeakPolarHBondContact O-CB 3.39Å; Y735-F739 WeakPolarHBondContact O-CD1 3.3Å; Y735-F739 VanDerWaalsContact O-CG 3.29Å; Y735-F739 WeakPolarHBondContact O-CG 3.29Å; Y735-F739 PolarHBondContact O-N 2.94Å
736A90.8Very high84.8Confident4 Ų444.2 Ų44.23%0.03323%0.231CC..Hα-helixtrans-62.4-29.1177.800000112.2H732 R754 L758H732-A736 WeakPolarHBondContact O-CB 3.24Å; H732-A736 PolarHBondContact O-N 3.43Å; A736-R754 WeakPolarHBondContact O-CD 3.48Å; A736-R754 PolarHBondContact O-NE 3.26Å; A736-L758 HydrophobicContact CB-CD2 4.09Å
737T91.2Very high85.5Confident20 Ų2043.6 Ų43.612%0.12323%0.229CC..Hα-helixtrans-69.3-43172.5-61.50000111.7V733 Q734 Y735 R754 S838V733-T737 WeakPolarHBondContact O-CB 3.32Å; V733-T737 PolarHBondContact O-N 3.33Å; V733-T737 PolarHBondContact O-OG1 3.17Å; Q734-T737 PolarHBondContact O-N 2.7Å; Y735-T737 PolarHBondContact O-N 2.97Å; T737-R754 PolarHBondContact O-NH2 3.43Å; T737-S838 VanDerWaalsContact O-CB 3.23Å; T737-S838 WeakPolarHBondContact O-CB 3.19Å; T737-S838 PolarHBondContact O-OG 3.31Å
738H93Very high85.9Confident19 Ų1944.8 Ų44.89%0.08824%0.242CC..Hα-helixtrans-97.5-27.1-170.7-75.6-97.6000116.3F594 V598 Q734 Y735 P740 H839 Y840F594-H738 HydrophobicContact CE1-CB 4.1Å; F594-H738 AromaticContact CE1-CG 3.87Å; F594-H738 HydrophobicContact CZ-CB 4.08Å; V598-H738 HydrophobicContact CG2-CB 3.83Å; Q734-H738 PolarHBondContact O-CD2 3.47Å; Q734-H738 PolarHBondContact O-N 3.19Å; Y735-H738 PolarHBondContact O-N 2.8Å; Y735-H738 VanDerWaalsContact O-N 3.08Å; H738-P740 WeakPolarHBondContact O-CD 3.19Å; H738-H839 AromaticContact ND1-CD2 3.69Å; H738-H839 WeakPolarHBondContact O-CB 3.26Å; H738-Y840 PolarHBondContact O-N 3.04Å; H738-Y840 VanDerWaalsContact O-N 3.16Å
739F94.1Very high86.3Confident0 Ų042.4 Ų42.40%023%0.226CC..  trans-64.8121.2-175.1-73.54.3000112.2L575 L597 V598 F601 Y735L575-F739 HydrophobicContact CD1-CE2 4.07Å; L575-F739 HydrophobicContact CD2-CE2 3.79Å; L575-F739 HydrophobicContact CD2-CZ 3.68Å; L597-F739 HydrophobicContact CD2-CE1 4.21Å; L597-F739 HydrophobicContact CD2-CZ 4.18Å; L597-F739 HydrophobicContact CG-CE1 4.07Å; L597-F739 HydrophobicContact CG-CZ 4.07Å; V598-F739 HydrophobicContact CG2-CD1 4.25Å; V598-F739 HydrophobicContact CG2-CE1 4.37Å; F601-F739 HydrophobicContact CB-CD1 4.23Å; F601-F739 HydrophobicContact CB-CD2 3.79Å; F601-F739 HydrophobicContact CB-CE1 4.12Å; F601-F739 HydrophobicContact CB-CE2 3.65Å; F601-F739 HydrophobicContact CB-CG 4.08Å; F601-F739 HydrophobicContact CB-CZ 3.82Å; F601-F739 HydrophobicContact CD1-CD2 4.22Å; F601-F739 AromaticContact CD1-CE2 3.67Å; F601-F739 HydrophobicContact CD1-CE2 3.67Å; F601-F739 HydrophobicContact CD1-CZ 4.29Å; F601-F739 AromaticContact CD2-CE2 3.98Å; F601-F739 HydrophobicContact CD2-CE2 3.98Å; F601-F739 AromaticContact CD2-CZ 3.74Å; F601-F739 HydrophobicContact CD2-CZ 3.74Å; F601-F739 HydrophobicContact CE1-CE2 4.37Å; F601-F739 HydrophobicContact CE2-CZ 4.47Å; F601-F739 HydrophobicContact CG-CD2 4.05Å; F601-F739 HydrophobicContact CG-CE1 4.4Å; F601-F739 AromaticContact CG-CE2 3.44Å; F601-F739 HydrophobicContact CG-CE2 3.44Å; F601-F739 VanDerWaalsContact CG-CE2 3.44Å; F601-F739 AromaticContact CG-CZ 3.65Å; F601-F739 HydrophobicContact CG-CZ 3.65Å; Y735-F739 HydrophobicContact CD1-CE1 4.14Å; Y735-F739 HydrophobicContact CD1-CZ 4.11Å; Y735-F739 HydrophobicContact CG-CE1 4.3Å; Y735-F739 HydrophobicContact CG-CE2 4.43Å; Y735-F739 AromaticContact CG-CZ 3.94Å; Y735-F739 HydrophobicContact CG-CZ 3.94Å; Y735-F739 WeakPolarHBondContact O-CB 3.39Å; Y735-F739 WeakPolarHBondContact O-CD1 3.3Å; Y735-F739 VanDerWaalsContact O-CG 3.29Å; Y735-F739 WeakPolarHBondContact O-CG 3.29Å; Y735-F739 PolarHBondContact O-N 2.94Å
740P88.6Confident86.6Confident2 Ų242 Ų421%0.01322%0.224CC..  trans-69.8149.7177.4-18.833.1000112.5V598 C602 I605 H738 H843V598-P740 HydrophobicContact CG1-CG 4.47Å; C602-P740 HydrophobicContact CB-CB 4.39Å; C602-P740 HydrophobicContact CB-CG 3.98Å; I605-P740 WeakPolarHBondContact CD1-O 3.41Å; H738-P740 WeakPolarHBondContact O-CD 3.19Å; P740-H843 HydrophobicContact CB-CB 4.26Å; P740-H843 WeakPolarHBondContact CB-ND1 3.26Å
741I88.2Confident86.7Confident3 Ų339.4 Ų39.42%0.01521%0.208CC..  trans-118.3141.3169.2-52.9177.9000107.4H612 Q743 C747 E750 R754 Y840H612-I741 HydrophobicContact CB-CG1 4.43Å; H612-I741 WeakPolarHBondContact ND1-CD1 3.29Å; I741-Q743 PolarHBondContact O-NE2 3.02Å; I741-C747 HydrophobicContact CG2-CB 3.71Å; I741-E750 HydrophobicContact CD1-CB 4.05Å; I741-E750 HydrophobicContact CG2-CB 4.37Å; I741-E750 VanDerWaalsContact CG2-OE2 3.28Å; I741-E750 WeakPolarHBondContact CG2-OE2 3.25Å; I741-R754 HydrophobicContact CD1-CB 4.49Å; I741-Y840 HydrophobicContact CB-CD2 4.32Å; I741-Y840 HydrophobicContact CB-CE2 3.89Å; I741-Y840 HydrophobicContact CD1-CD2 4.42Å; I741-Y840 HydrophobicContact CD1-CE2 3.86Å; I741-Y840 HydrophobicContact CG1-CD2 4Å; I741-Y840 HydrophobicContact CG1-CE2 3.77Å
742P84.1Confident86.5Confident40 Ų4041 Ų4126%0.2622%0.219SC..  trans-49141173.6-29.235.7000113.1I605 E744 C747I605-P742 HydrophobicContact CG2-CG 4.21Å; P742-E744 VanDerWaalsContact C-N 3.26Å; P742-E744 PolarHBondContact O-N 2.81Å; P742-C747 VanDerWaalsContact O-CB 3.31Å; P742-C747 WeakPolarHBondContact O-CB 3.44Å
743Q80.1Confident86.1Confident40 Ų4042.3 Ų42.319%0.18723%0.226CC..  trans-96.239.4-173.3-61.9-63.1-68.600112.4I741 A847I741-Q743 PolarHBondContact O-NE2 3.02Å; Q743-A847 HydrophobicContact CB-CB 4.14Å; Q743-A847 HydrophobicContact CG-CB 4.06Å
744E77.9Confident86.1Confident137 Ų13742.3 Ų42.364%0.6423%0.225SC*.SBendtrans-96.3160.7176.3-64.7-177.1-168.600111.1P742 S746 C747P742-E744 VanDerWaalsContact C-N 3.26Å; P742-E744 PolarHBondContact O-N 2.81Å; E744-S746 VanDerWaalsContact C-N 3.26Å; E744-S746 VanDerWaalsContact CB-OG 3.27Å; E744-S746 WeakPolarHBondContact CB-OG 3.44Å; E744-S746 PolarHBondContact O-N 3.12Å; E744-S746 PolarHBondContact OE2-OG 2.95Å; E744-C747 PolarHBondContact O-N 3.09Å
745E74.2Confident85.9Confident184 Ų18442.6 Ų42.686%0.8623%0.227SC*.SBendtrans-68.3-26.8-178.3-62.2-166.8130.800112.7S748E745-S748 WeakPolarHBondContact O-CB 3.3Å; E745-S748 PolarHBondContact O-N 3.05Å; E745-S748 PolarHBondContact O-OG 2.99Å
746S77.9Confident85.6Confident85 Ų8545.8 Ų45.859%0.59425%0.246SC*.THydrogen-bonded Turntrans-52.7-52.5170.144.70000112.4E744 S748E744-S746 VanDerWaalsContact C-N 3.26Å; E744-S746 VanDerWaalsContact CB-OG 3.27Å; E744-S746 WeakPolarHBondContact CB-OG 3.44Å; E744-S746 PolarHBondContact O-N 3.12Å; E744-S746 PolarHBondContact OE2-OG 2.95Å; S746-S748 PolarHBondContact O-N 3.3Å
747C82.4Confident85.3Confident20 Ų2047.3 Ų47.314%0.13526%0.255CS..THydrogen-bonded Turntrans-76.30.7-178.2-67.70000114.5I741 P742 E744 H749 E750 C751I741-C747 HydrophobicContact CG2-CB 3.71Å; P742-C747 VanDerWaalsContact O-CB 3.31Å; P742-C747 WeakPolarHBondContact O-CB 3.44Å; E744-C747 PolarHBondContact O-N 3.09Å; C747-H749 PolarHBondContact O-N 3.02Å; C747-E750 PolarHBondContact O-N 3.1Å; C747-E750 VanDerWaalsContact O-N 3.08Å; C747-C751 PolarHBondContact O-N 3.49Å; C747-C751 PolarHBondContact O-SG 3.26Å
748S82.7Confident85.1Confident62 Ų6247.4 Ų47.443%0.43426%0.255SS..Hα-helixtrans-59-31-177.965.20000113.4E745 S746 N752E745-S748 WeakPolarHBondContact O-CB 3.3Å; E745-S748 PolarHBondContact O-N 3.05Å; E745-S748 PolarHBondContact O-OG 2.99Å; S746-S748 PolarHBondContact O-N 3.3Å; S748-N752 PolarHBondContact O-N 3.49Å; S748-N752 PolarHBondContact O-ND2 2.99Å
749H84.1Confident84.8Confident106 Ų10649.5 Ų49.549%0.49126%0.263SS..Hα-helixtrans-64.6-49.1172.8169.6-112.6000112N613 C747 C751 N752 Q753N613-H749 PolarHBondContact OD1-CE1 3.5Å; C747-H749 PolarHBondContact O-N 3.02Å; H749-C751 VanDerWaalsContact C-N 3.34Å; H749-C751 PolarHBondContact O-N 2.92Å; H749-N752 WeakPolarHBondContact O-CB 3.14Å; H749-N752 PolarHBondContact O-N 3.48Å; H749-N752 VanDerWaalsContact O-N 3.11Å; H749-Q753 PolarHBondContact CE1-NE2 3.43Å; H749-Q753 PolarHBondContact NE2-NE2 2.71Å; H749-Q753 PolarHBondContact O-N 3.09Å
750E86.3Confident84.4Confident28 Ų2851 Ų5113%0.13128%0.279CS..Hα-helixtrans-62.8-42.1-179.9-43.6-168.2123.300111.3N613 I741 C747 N752 Q753 R754N613-E750 HydrophobicContact CB-CG 3.99Å; N613-E750 WeakPolarHBondContact CB-OE1 3.43Å; N613-E750 PolarHBondContact N-OE1 2.91Å; N613-E750 VanDerWaalsContact N-OE1 3.14Å; I741-E750 HydrophobicContact CD1-CB 4.05Å; I741-E750 HydrophobicContact CG2-CB 4.37Å; I741-E750 VanDerWaalsContact CG2-OE2 3.28Å; I741-E750 WeakPolarHBondContact CG2-OE2 3.25Å; C747-E750 PolarHBondContact O-N 3.1Å; C747-E750 VanDerWaalsContact O-N 3.08Å; E750-N752 VanDerWaalsContact C-N 3.26Å; E750-N752 PolarHBondContact O-N 2.96Å; E750-Q753 PolarHBondContact O-N 3.39Å; E750-Q753 VanDerWaalsContact O-N 3.14Å; E750-R754 PolarHBondContact O-N 3.16Å
751C86.4Confident84.2Confident15 Ų1556.8 Ų56.810%0.10131%0.314CS..Hα-helixtrans-60.3-34.6175.2-64.70000112.4C747 H749 L755 Y840C747-C751 PolarHBondContact O-N 3.49Å; C747-C751 PolarHBondContact O-SG 3.26Å; H749-C751 VanDerWaalsContact C-N 3.34Å; H749-C751 PolarHBondContact O-N 2.92Å; C751-L755 WeakPolarHBondContact O-CD1 3.27Å; C751-L755 WeakPolarHBondContact O-CG 3.28Å; C751-Y840 WeakPolarHBondContact CB-OH 3.44Å; C751-Y840 PolarHBondContact SG-OH 2.97Å
752N86.6Confident84.2Confident75 Ų7558.1 Ų58.140%0.40133%0.329SS..Hα-helixtrans-73.7-41.9173-78.4-59.3000111.7S748 H749 E750 L755 V756 R769S748-N752 PolarHBondContact O-N 3.49Å; S748-N752 PolarHBondContact O-ND2 2.99Å; H749-N752 WeakPolarHBondContact O-CB 3.14Å; H749-N752 PolarHBondContact O-N 3.48Å; H749-N752 VanDerWaalsContact O-N 3.11Å; E750-N752 VanDerWaalsContact C-N 3.26Å; E750-N752 PolarHBondContact O-N 2.96Å; N752-L755 PolarHBondContact O-N 3.05Å; N752-V756 WeakPolarHBondContact O-CG2 3.41Å; N752-V756 PolarHBondContact O-N 2.81Å; N752-V756 VanDerWaalsContact O-N 3.11Å; N752-R769 PolarHBondContact OD1-NH2 2.87Å
753Q85.1Confident84.3Confident42 Ų4263.5 Ų63.520%0.19635%0.348CS..Hα-helixtrans-59.7-52.8175.9-72-159.69.900111.8N613 T616 H749 E750 L755 V756 V757N613-Q753 PolarHBondContact OD1-NE2 2.9Å; T616-Q753 HydrophobicContact CG2-CB 4.16Å; H749-Q753 PolarHBondContact CE1-NE2 3.43Å; H749-Q753 PolarHBondContact NE2-NE2 2.71Å; H749-Q753 PolarHBondContact O-N 3.09Å; E750-Q753 PolarHBondContact O-N 3.39Å; E750-Q753 VanDerWaalsContact O-N 3.14Å; Q753-L755 PolarHBondContact O-N 2.72Å; Q753-L755 VanDerWaalsContact O-N 3.16Å; Q753-V756 PolarHBondContact O-N 2.71Å; Q753-V757 WeakPolarHBondContact O-CB 3.47Å; Q753-V757 WeakPolarHBondContact O-CG2 3.23Å; Q753-V757 PolarHBondContact O-N 3.2Å
754R89.7Confident84.4Confident3 Ų368.1 Ų68.11%0.01137%0.37CS..Hα-helixtrans-49.5-44.4177.7176.4-176.9164.7-85.81.5111.8A736 T737 I741 E750 V757 L758 S838 D841A736-R754 WeakPolarHBondContact O-CD 3.48Å; A736-R754 PolarHBondContact O-NE 3.26Å; T737-R754 PolarHBondContact O-NH2 3.43Å; I741-R754 HydrophobicContact CD1-CB 4.49Å; E750-R754 PolarHBondContact O-N 3.16Å; R754-V757 PolarHBondContact O-N 3.17Å; R754-L758 HydrophobicContact CG-CD1 3.83Å; R754-L758 HydrophobicContact CG-CG 4.46Å; R754-L758 WeakPolarHBondContact O-CB 3.48Å; R754-L758 WeakPolarHBondContact O-CG 3.4Å; R754-L758 PolarHBondContact O-N 3.13Å; R754-S838 PolarHBondContact NH2-OG 3.08Å; R754-D841 IonicContact NH1-OD1 2.71Å
755L87Confident84.9Confident10 Ų1064.3 Ų64.35%0.05235%0.35CS..Hα-helixtrans-68.9-37.3179.6-78.3172.4000113.8C751 N752 Q753 V757 F759 R765 R769C751-L755 WeakPolarHBondContact O-CD1 3.27Å; C751-L755 WeakPolarHBondContact O-CG 3.28Å; N752-L755 PolarHBondContact O-N 3.05Å; Q753-L755 PolarHBondContact O-N 2.72Å; Q753-L755 VanDerWaalsContact O-N 3.16Å; L755-V757 VanDerWaalsContact C-N 3.33Å; L755-F759 HydrophobicContact CD2-CD2 3.76Å; L755-F759 HydrophobicContact CD2-CE2 3.83Å; L755-F759 PolarHBondContact O-N 2.95Å; L755-R765 HydrophobicContact CB-CG 4.04Å; L755-R769 HydrophobicContact CD1-CG 4.25Å; L755-R769 VanDerWaalsContact CD1-NE 3.27Å; L755-R769 VanDerWaalsContact CD1-NH2 3.34Å
756V87.1Confident85.6Confident66 Ų6658.9 Ų58.940%0.433%0.326SS..Hα-helixtrans-69.7-34.5174171.70000111.1N752 Q753 G760 V761N752-V756 WeakPolarHBondContact O-CG2 3.41Å; N752-V756 PolarHBondContact O-N 2.81Å; N752-V756 VanDerWaalsContact O-N 3.11Å; Q753-V756 PolarHBondContact O-N 2.71Å; V756-G760 WeakPolarHBondContact O-CA 3.38Å; V756-G760 PolarHBondContact O-N 3.37Å; V756-V761 HydrophobicContact CG1-CG1 4.34Å; V756-V761 HydrophobicContact CG2-CG1 4.41Å
757V85.6Confident86.1Confident37 Ų3758.6 Ų58.622%0.22432%0.318CS..Hα-helixtrans-73-40.1179.8167.20000112.4T616 I620 L625 Q753 R754 L755T616-V757 HydrophobicContact CG2-CG2 3.85Å; I620-V757 HydrophobicContact CD1-CG2 3.78Å; I620-V757 HydrophobicContact CG1-CG2 4.03Å; L625-V757 HydrophobicContact CD1-CG1 3.18Å; Q753-V757 WeakPolarHBondContact O-CB 3.47Å; Q753-V757 WeakPolarHBondContact O-CG2 3.23Å; Q753-V757 PolarHBondContact O-N 3.2Å; R754-V757 PolarHBondContact O-N 3.17Å; L755-V757 VanDerWaalsContact C-N 3.33Å
758L86.5Confident86.3Confident22 Ų2258.9 Ų58.912%0.11532%0.322CS..Hα-helixtrans-83.1-35.5179.5-68.4173.7000114.2V733 A736 R754V733-L758 HydrophobicContact CG1-CD2 4.27Å; A736-L758 HydrophobicContact CB-CD2 4.09Å; R754-L758 HydrophobicContact CG-CD1 3.83Å; R754-L758 HydrophobicContact CG-CG 4.46Å; R754-L758 WeakPolarHBondContact O-CB 3.48Å; R754-L758 WeakPolarHBondContact O-CG 3.4Å; R754-L758 PolarHBondContact O-N 3.13Å
759F87Confident86.6Confident62 Ų6259.8 Ų59.827%0.27232%0.316SS..Hα-helixtrans-125.36.5-169.6-53.1-70.5000114.3L755 Q764 R765 A768L755-F759 HydrophobicContact CD2-CD2 3.76Å; L755-F759 HydrophobicContact CD2-CE2 3.83Å; L755-F759 PolarHBondContact O-N 2.95Å; F759-Q764 HydrophobicContact CB-CB 4.3Å; F759-R765 HydrophobicContact CB-CB 3.85Å; F759-R765 HydrophobicContact CB-CG 4.42Å; F759-A768 HydrophobicContact CD2-CB 4.44Å; F759-A768 HydrophobicContact CE2-CB 4.23Å; F759-A768 HydrophobicContact CZ-CB 4.32Å
760G85.8Confident87Confident32 Ų3260.8 Ų60.833%0.3332%0.32SS..  trans63-154.3-176.300000113.4V756V756-G760 WeakPolarHBondContact O-CA 3.38Å; V756-G760 PolarHBondContact O-N 3.37Å
761V84.1Confident87.1Confident123 Ų12361.6 Ų61.675%0.74533%0.332SS*.SBendtrans-107.6134.7171.7-70.20000110.5V756V756-V761 HydrophobicContact CG1-CG1 4.34Å; V756-V761 HydrophobicContact CG2-CG1 4.41Å
762G86.8Confident87.3Confident32 Ų3261.2 Ų61.233%0.3333%0.329SS..SBendtrans107.6-148178.800000113.6Q764 R765 D766G762-Q764 PolarHBondContact O-N 2.92Å; G762-R765 WeakPolarHBondContact O-CB 3.39Å; G762-R765 PolarHBondContact O-N 2.61Å; G762-D766 PolarHBondContact O-N 3.36Å
763K86.3Confident87.6Confident153 Ų15364.2 Ų64.267%0.66534%0.338SS*.Hα-helixtrans-57.9-45.7-155.1-161.1-162.9174.4-121.80115R765 D766 D767K763-R765 VanDerWaalsContact C-N 3.33Å; K763-R765 PolarHBondContact O-N 3.02Å; K763-D766 PolarHBondContact O-N 3.03Å; K763-D766 VanDerWaalsContact O-N 3.09Å; K763-D767 WeakPolarHBondContact CE-OD2 3.34Å; K763-D767 IonicContact NZ-OD1 2.83Å; K763-D767 IonicContact NZ-OD2 2.66Å; K763-D767 PolarHBondContact NZ-OD2 2.89Å; K763-D767 WeakPolarHBondContact O-CB 3.34Å; K763-D767 PolarHBondContact O-N 3.07Å
764Q83.2Confident88Confident137 Ų13768.1 Ų68.164%0.6436%0.355SS*.Hα-helixtrans-60.5-42.5-176.2-70.5-178-9.400112.3F759 G762 D766 D767 A768F759-Q764 HydrophobicContact CB-CB 4.3Å; G762-Q764 PolarHBondContact O-N 2.92Å; Q764-D766 VanDerWaalsContact C-N 3.28Å; Q764-D766 PolarHBondContact O-N 3Å; Q764-D767 PolarHBondContact O-N 2.73Å; Q764-A768 WeakPolarHBondContact O-CB 3.31Å; Q764-A768 PolarHBondContact O-N 2.99Å
765R88.6Confident88.1Confident57 Ų5768.9 Ų68.922%0.21536%0.359CS..Hα-helixtrans-59.8-38175.3-169.8-156.167.6-171.3-6.7112.3L755 F759 G762 K763 R769L755-R765 HydrophobicContact CB-CG 4.04Å; F759-R765 HydrophobicContact CB-CB 3.85Å; F759-R765 HydrophobicContact CB-CG 4.42Å; G762-R765 WeakPolarHBondContact O-CB 3.39Å; G762-R765 PolarHBondContact O-N 2.61Å; K763-R765 VanDerWaalsContact C-N 3.33Å; K763-R765 PolarHBondContact O-N 3.02Å; R765-R769 WeakPolarHBondContact O-CG 3.43Å; R765-R769 PolarHBondContact O-N 3.44Å; R765-R769 VanDerWaalsContact O-N 3.13Å
766D88.7Confident88.5Confident69 Ų6968.7 Ų68.737%0.36936%0.358SS..Hα-helixtrans-83.9-33.7-176.7-63.8-23.1000112.2G762 K763 Q764 R769 H770G762-D766 PolarHBondContact O-N 3.36Å; K763-D766 PolarHBondContact O-N 3.03Å; K763-D766 VanDerWaalsContact O-N 3.09Å; Q764-D766 VanDerWaalsContact C-N 3.28Å; Q764-D766 PolarHBondContact O-N 3Å; D766-R769 PolarHBondContact O-N 3.36Å; D766-H770 WeakPolarHBondContact O-CB 3.43Å; D766-H770 PolarHBondContact O-N 3.21Å
767D89Confident88.8Confident80 Ų8072.2 Ų72.243%0.42837%0.368SS..Hα-helixtrans-60.4-44.5167.9-75.8-17.9000110.3K763 Q764 H770 A771K763-D767 WeakPolarHBondContact CE-OD2 3.34Å; K763-D767 IonicContact NZ-OD1 2.83Å; K763-D767 IonicContact NZ-OD2 2.66Å; K763-D767 PolarHBondContact NZ-OD2 2.89Å; K763-D767 WeakPolarHBondContact O-CB 3.34Å; K763-D767 PolarHBondContact O-N 3.07Å; Q764-D767 PolarHBondContact O-N 2.73Å; D767-H770 WeakPolarHBondContact O-CB 3.25Å; D767-H770 PolarHBondContact O-N 2.92Å; D767-H770 VanDerWaalsContact O-N 3.15Å; D767-A771 PolarHBondContact O-N 3.08Å
768A86.3Confident89Confident25 Ų2571.6 Ų71.621%0.20736%0.363CS..Hα-helixtrans-60.9-48.6174.600000112.2F759 Q764 H770 A771 I772F759-A768 HydrophobicContact CD2-CB 4.44Å; F759-A768 HydrophobicContact CE2-CB 4.23Å; F759-A768 HydrophobicContact CZ-CB 4.32Å; Q764-A768 WeakPolarHBondContact O-CB 3.31Å; Q764-A768 PolarHBondContact O-N 2.99Å; A768-H770 PolarHBondContact O-N 3.05Å; A768-A771 PolarHBondContact O-N 3.46Å; A768-A771 VanDerWaalsContact O-N 3.16Å; A768-I772 PolarHBondContact O-N 3.25Å
769R89.2Confident89.2Confident81 Ų8170.5 Ų70.531%0.30636%0.358SS..Hα-helixtrans-58.4-31.1173.1-78.8-179.1163.8-173.6-0.6113N752 L755 R765 D766 K773N752-R769 PolarHBondContact OD1-NH2 2.87Å; L755-R769 HydrophobicContact CD1-CG 4.25Å; L755-R769 VanDerWaalsContact CD1-NE 3.27Å; L755-R769 VanDerWaalsContact CD1-NH2 3.34Å; R765-R769 WeakPolarHBondContact O-CG 3.43Å; R765-R769 PolarHBondContact O-N 3.44Å; R765-R769 VanDerWaalsContact O-N 3.13Å; D766-R769 PolarHBondContact O-N 3.36Å; R769-K773 WeakPolarHBondContact O-CB 3.32Å; R769-K773 WeakPolarHBondContact O-CG 3.27Å; R769-K773 PolarHBondContact O-N 3.49Å
770H91.1Very high89.5Confident127 Ų12769.7 Ų69.759%0.58836%0.356SS*.Hα-helixtrans-73.3-39.3176.9-164.599.9000112.2D766 D767 A768 K773 K774D766-H770 WeakPolarHBondContact O-CB 3.43Å; D766-H770 PolarHBondContact O-N 3.21Å; D767-H770 WeakPolarHBondContact O-CB 3.25Å; D767-H770 PolarHBondContact O-N 2.92Å; D767-H770 VanDerWaalsContact O-N 3.15Å; A768-H770 PolarHBondContact O-N 3.05Å; H770-K773 PolarHBondContact O-N 3.22Å; H770-K774 WeakPolarHBondContact O-CB 3.37Å; H770-K774 PolarHBondContact O-N 3.11Å
771A88.7Confident89.6Confident45 Ų4572.9 Ų72.937%0.37236%0.361SS..Hα-helixtrans-58.9-48.5177.600000112D767 A768 K774 I775D767-A771 PolarHBondContact O-N 3.08Å; A768-A771 PolarHBondContact O-N 3.46Å; A768-A771 VanDerWaalsContact O-N 3.16Å; A771-K774 PolarHBondContact O-N 3.02Å; A771-I775 PolarHBondContact O-N 2.8Å
772I91.1Very high89.6Confident8 Ų868.1 Ų68.14%0.04133%0.332CS..Hα-helixtrans-57.4-55.1175.8-56.3168.6000110A768 K774 I775 T776 D841 Q844 V845A768-I772 PolarHBondContact O-N 3.25Å; I772-K774 PolarHBondContact O-N 3.28Å; I772-I775 PolarHBondContact O-N 3.12Å; I772-I775 VanDerWaalsContact O-N 3.1Å; I772-T776 PolarHBondContact O-N 3.01Å; I772-T776 PolarHBondContact O-OG1 2.82Å; I772-D841 HydrophobicContact CD1-CB 4.13Å; I772-D841 VanDerWaalsContact CD1-OD1 3.26Å; I772-D841 WeakPolarHBondContact CD1-OD1 3.45Å; I772-D841 HydrophobicContact CG1-CB 4.15Å; I772-Q844 HydrophobicContact CG2-CG 4.33Å; I772-V845 HydrophobicContact CG2-CG2 3.85Å
773K93.7Very high89.6Confident138 Ų13866.9 Ų66.960%0.632%0.318SS*.Hα-helixtrans-60.7-27.3-179.6-75.5178.1177.1-178.20113.7R769 H770 K777R769-K773 WeakPolarHBondContact O-CB 3.32Å; R769-K773 WeakPolarHBondContact O-CG 3.27Å; R769-K773 PolarHBondContact O-N 3.49Å; H770-K773 PolarHBondContact O-N 3.22Å; K773-K777 WeakPolarHBondContact O-CB 3.36Å; K773-K777 VanDerWaalsContact O-CG 3.28Å; K773-K777 WeakPolarHBondContact O-CG 3.36Å; K773-K777 PolarHBondContact O-N 2.87Å
774K92.6Very high89.4Confident123 Ų12363 Ų6354%0.53530%0.304SS..Hα-helixtrans-71.9-50.3173.1-176.6178.9177.5-177.90110.7H770 A771 I772 K777 D778H770-K774 WeakPolarHBondContact O-CB 3.37Å; H770-K774 PolarHBondContact O-N 3.11Å; A771-K774 PolarHBondContact O-N 3.02Å; I772-K774 PolarHBondContact O-N 3.28Å; K774-K777 PolarHBondContact O-N 3.22Å; K774-D778 PolarHBondContact O-N 2.7Å
775I92.4Very high89Confident20 Ų2063.5 Ų63.510%0.10330%0.3CS..Hα-helixtrans-62.7-45.2-179.5-70.5169.8000111.1A771 I772 K777 D778 I779 K833 F834 L837 V845A771-I775 PolarHBondContact O-N 2.8Å; I772-I775 PolarHBondContact O-N 3.12Å; I772-I775 VanDerWaalsContact O-N 3.1Å; I775-K777 VanDerWaalsContact C-N 3.31Å; I775-K777 PolarHBondContact O-N 2.92Å; I775-D778 PolarHBondContact O-N 3.21Å; I775-D778 VanDerWaalsContact O-N 3.16Å; I775-I779 HydrophobicContact CG2-CD1 3.82Å; I775-I779 HydrophobicContact CG2-CG1 4.47Å; I775-I779 WeakPolarHBondContact O-CG1 3.31Å; I775-I779 PolarHBondContact O-N 3.36Å; I775-K833 HydrophobicContact CD1-CB 4.23Å; I775-F834 HydrophobicContact CG2-CB 4.5Å; I775-L837 HydrophobicContact CD1-CD1 3.84Å; I775-L837 HydrophobicContact CD1-CD2 4.01Å; I775-L837 HydrophobicContact CD1-CG 3.92Å; I775-L837 HydrophobicContact CG2-CD1 4.23Å; I775-V845 HydrophobicContact CG2-CG1 4.39Å; I775-V845 HydrophobicContact CG2-CG2 4.49Å
776T94.5Very high87.4Confident5 Ų568.1 Ų68.13%0.03132%0.322CS..Hα-helixtrans-57.2-44.9173.7-44.30000111.4I772 D778 I779 L780 Q848 V849I772-T776 PolarHBondContact O-N 3.01Å; I772-T776 PolarHBondContact O-OG1 2.82Å; T776-D778 VanDerWaalsContact C-N 3.35Å; T776-D778 PolarHBondContact O-N 3.04Å; T776-I779 PolarHBondContact O-N 2.63Å; T776-L780 HydrophobicContact CG2-CD1 3.89Å; T776-L780 HydrophobicContact CG2-CG 4.26Å; T776-L780 WeakPolarHBondContact O-CB 3.46Å; T776-L780 VanDerWaalsContact O-CG 3.24Å; T776-L780 WeakPolarHBondContact O-CG 3.46Å; T776-L780 PolarHBondContact O-N 3.01Å; T776-Q848 HydrophobicContact CG2-CB 3.97Å; T776-V849 HydrophobicContact CG2-CG2 4.19Å
777K93.1Very high85.5Confident140 Ų14067.4 Ų67.461%0.60933%0.331SS*.Hα-helixtrans-64.8-36.9178.1-80.6-178.7176.4-173.70112.8K773 K774 I775 K781K773-K777 WeakPolarHBondContact O-CB 3.36Å; K773-K777 VanDerWaalsContact O-CG 3.28Å; K773-K777 WeakPolarHBondContact O-CG 3.36Å; K773-K777 PolarHBondContact O-N 2.87Å; K774-K777 PolarHBondContact O-N 3.22Å; I775-K777 VanDerWaalsContact C-N 3.31Å; I775-K777 PolarHBondContact O-N 2.92Å; K777-K781 WeakPolarHBondContact O-CG 3.27Å; K777-K781 PolarHBondContact O-N 2.86Å
778D90.5Very high82.7Confident24 Ų2469.6 Ų69.613%0.12835%0.347CS..Hα-helixtrans-72.2-38.6179.4-68.9-21.3000111.3K774 I775 T776 K781 V782 I830K774-D778 PolarHBondContact O-N 2.7Å; I775-D778 PolarHBondContact O-N 3.21Å; I775-D778 VanDerWaalsContact O-N 3.16Å; T776-D778 VanDerWaalsContact C-N 3.35Å; T776-D778 PolarHBondContact O-N 3.04Å; D778-K781 PolarHBondContact O-N 3.05Å; D778-K781 IonicContact OD1-NZ 3.61Å; D778-K781 PolarHBondContact OD1-NZ 2.91Å; D778-V782 PolarHBondContact O-N 3.42Å; D778-I830 HydrophobicContact CB-CD1 4.43Å; D778-I830 HydrophobicContact CB-CG1 4.5Å
779I91.6Very high80.1Confident0 Ų073.1 Ų73.10%038%0.376CS..Hα-helixtrans-60.2-52.9168.9-64.7161.5000110.8I775 T776 K781 V782 L783 I830 V845 V849 L880I775-I779 HydrophobicContact CG2-CD1 3.82Å; I775-I779 HydrophobicContact CG2-CG1 4.47Å; I775-I779 WeakPolarHBondContact O-CG1 3.31Å; I775-I779 PolarHBondContact O-N 3.36Å; T776-I779 PolarHBondContact O-N 2.63Å; I779-K781 VanDerWaalsContact C-N 3.26Å; I779-K781 PolarHBondContact O-N 3.33Å; I779-V782 PolarHBondContact O-N 3.18Å; I779-L783 HydrophobicContact CG2-CD1 3.61Å; I779-L783 HydrophobicContact CG2-CG 4.08Å; I779-L783 WeakPolarHBondContact O-CG 3.39Å; I779-L783 PolarHBondContact O-N 2.96Å; I779-I830 HydrophobicContact CB-CG2 4.42Å; I779-I830 HydrophobicContact CD1-CG2 4.22Å; I779-I830 HydrophobicContact CG1-CG2 3.29Å; I779-V845 HydrophobicContact CD1-CG1 3.36Å; I779-V849 HydrophobicContact CB-CG2 4.24Å; I779-V849 HydrophobicContact CD1-CG2 4.47Å; I779-V849 HydrophobicContact CG2-CG1 4.04Å; I779-V849 HydrophobicContact CG2-CG2 3.68Å; I779-L880 HydrophobicContact CD1-CD1 4.36Å; I779-L880 HydrophobicContact CG2-CD1 4.38Å
780L91.5Very high77.2Confident44 Ų4477.6 Ų77.623%0.2340%0.4CS..Hα-helixtrans-61.5-31.8-177.3-72175.2000112.8T776 V782 N784 V849 N852T776-L780 HydrophobicContact CG2-CD1 3.89Å; T776-L780 HydrophobicContact CG2-CG 4.26Å; T776-L780 WeakPolarHBondContact O-CB 3.46Å; T776-L780 VanDerWaalsContact O-CG 3.24Å; T776-L780 WeakPolarHBondContact O-CG 3.46Å; T776-L780 PolarHBondContact O-N 3.01Å; L780-V782 VanDerWaalsContact C-N 3.32Å; L780-N784 VanDerWaalsContact O-CB 3.25Å; L780-N784 WeakPolarHBondContact O-CB 3.48Å; L780-N784 PolarHBondContact O-N 2.88Å; L780-N784 PolarHBondContact O-ND2 3.46Å; L780-V849 HydrophobicContact CD2-CG2 4.28Å; L780-V849 HydrophobicContact CG-CG2 4.46Å; L780-N852 HydrophobicContact CD2-CB 3.89Å; L780-N852 WeakPolarHBondContact CD2-OD1 3.25Å
781K89Confident74.1Confident100 Ų10077.2 Ų77.244%0.43541%0.407SS..Hα-helixtrans-64.7-32.7172.3-74.9166.2-162.1168.10113.2K777 D778 I779 R785 F824K777-K781 WeakPolarHBondContact O-CG 3.27Å; K777-K781 PolarHBondContact O-N 2.86Å; D778-K781 PolarHBondContact O-N 3.05Å; D778-K781 IonicContact OD1-NZ 3.61Å; D778-K781 PolarHBondContact OD1-NZ 2.91Å; I779-K781 VanDerWaalsContact C-N 3.26Å; I779-K781 PolarHBondContact O-N 3.33Å; K781-R785 WeakPolarHBondContact O-CB 3.42Å; K781-R785 PolarHBondContact O-N 3.42Å; K781-F824 HydrophobicContact CB-CE1 3.84Å; K781-F824 HydrophobicContact CB-CZ 3.98Å; K781-F824 HydrophobicContact CD-CE1 4.28Å; K781-F824 HydrophobicContact CD-CZ 3.99Å; K781-F824 HydrophobicContact CG-CZ 4.34Å
782V84.4Confident71.1Confident22 Ų2283 Ų8313%0.13343%0.432CS..Hα-helixtrans-76.4-48.2176.21730000109.8D778 I779 L780 N784 R785 I830 H873D778-V782 PolarHBondContact O-N 3.42Å; I779-V782 PolarHBondContact O-N 3.18Å; L780-V782 VanDerWaalsContact C-N 3.32Å; V782-N784 PolarHBondContact O-N 2.83Å; V782-R785 WeakPolarHBondContact O-CB 3.46Å; V782-R785 PolarHBondContact O-N 2.92Å; V782-R785 VanDerWaalsContact O-N 3.13Å; V782-I830 HydrophobicContact CG2-CD1 3.54Å; V782-H873 PolarHBondContact O-CE1 3.37Å
783L85.8Confident68.1Low7 Ų789.4 Ų89.44%0.03746%0.462CS..Hα-helixtrans-62.9-42.2-178.9-61.6174.3000112.9I779 R785 V849 V853 H873 F876 V877I779-L783 HydrophobicContact CG2-CD1 3.61Å; I779-L783 HydrophobicContact CG2-CG 4.08Å; I779-L783 WeakPolarHBondContact O-CG 3.39Å; I779-L783 PolarHBondContact O-N 2.96Å; L783-R785 VanDerWaalsContact C-N 3.27Å; L783-R785 PolarHBondContact O-N 3.5Å; L783-V849 HydrophobicContact CD1-CG1 3.43Å; L783-V849 VanDerWaalsContact CD1-CG1 3.43Å; L783-V853 HydrophobicContact CD1-CG2 4.3Å; L783-H873 HydrophobicContact CD2-CB 3.64Å; L783-H873 PolarHBondContact O-CE1 3.41Å; L783-H873 PolarHBondContact O-ND1 3.28Å; L783-F876 HydrophobicContact CD2-CD1 4.39Å; L783-V877 HydrophobicContact CD1-CG2 3.93Å; L783-V877 HydrophobicContact CD2-CG2 4.16Å
784N83.4Confident64.8Low72 Ų7290.9 Ų90.939%0.38548%0.475SS..THydrogen-bonded Turntrans-85.29.2177.8-69.9-89.9000113.3L780 V782 K786 N852 Q856L780-N784 VanDerWaalsContact O-CB 3.25Å; L780-N784 WeakPolarHBondContact O-CB 3.48Å; L780-N784 PolarHBondContact O-N 2.88Å; L780-N784 PolarHBondContact O-ND2 3.46Å; V782-N784 PolarHBondContact O-N 2.83Å; N784-K786 PolarHBondContact O-N 3.26Å; N784-N852 PolarHBondContact ND2-OD1 2.93Å; N784-N852 VanDerWaalsContact ND2-OD1 3.09Å; N784-Q856 PolarHBondContact OD1-NE2 3.06Å
785R73.7Confident61.6Low147 Ų14788.6 Ų88.656%0.55548%0.48SS*.  trans-72.996177.3-155.2172.8-173.3-177.6-0.2108.7K781 V782 L783 G787K781-R785 WeakPolarHBondContact O-CB 3.42Å; K781-R785 PolarHBondContact O-N 3.42Å; V782-R785 WeakPolarHBondContact O-CB 3.46Å; V782-R785 PolarHBondContact O-N 2.92Å; V782-R785 VanDerWaalsContact O-N 3.13Å; L783-R785 VanDerWaalsContact C-N 3.27Å; L783-R785 PolarHBondContact O-N 3.5Å; R785-G787 PolarHBondContact O-N 3.27Å
786K54.4Low58.4Low153 Ų15393.8 Ų93.867%0.66551%0.514SS*.  trans-52.5110.4179.9-66.3-165.9-179.2-1680110.4N784 T788 H867N784-K786 PolarHBondContact O-N 3.26Å; K786-T788 PolarHBondContact O-N 3Å; K786-H867 PolarHBondContact NZ-CD2 3.05Å; K786-H867 VanDerWaalsContact NZ-CD2 3.3Å; K786-H867 PolarHBondContact NZ-NE2 3.26Å
787G49.2Very low55.3Low54 Ų54100.9 Ų100.956%0.55755%0.551SS**  trans-69.1112.617400000110R785 A789R785-G787 PolarHBondContact O-N 3.27Å; G787-A789 PolarHBondContact O-N 3.49Å
788T31.1Very low52.2Low127 Ų12799.7 Ų99.778%0.77956%0.555SS**  trans-75.676.2165.143.40000108.7K786 E790K786-T788 PolarHBondContact O-N 3Å; T788-E790 PolarHBondContact O-N 3.35Å
789A31.1Very low49.3Very low98 Ų98104.2 Ų104.281%0.8159%0.586SS**THydrogen-bonded Turntrans-73.126.9-168.700000115.3G787G787-A789 PolarHBondContact O-N 3.49Å
790E27.8Very low46.3Very low175 Ų175111.8 Ų111.882%0.81863%0.625SS**THydrogen-bonded Turntrans-125.14-177.6-66.6-169.7134.400113.6T788T788-E790 PolarHBondContact O-N 3.35Å
791T26.5Very low43.2Very low119 Ų119117 Ų11773%0.7365%0.654SS**SBendtrans-149.348.4-172.4-34.40000115.5
792D26.4Very low40.3Very low167 Ų167118.8 Ų118.889%0.89368%0.675SS**SBendtrans-14836.2162.6-139.20.6000114.2
793Q28Very low37.5Very low142 Ų142120.8 Ų120.866%0.66470%0.7SS**SBendtrans-151.55.9170.5-128174.372.900115.6
794L24Very low34.7Very low169 Ų169128 Ų12889%0.88574%0.739SS**  trans-105.273.9179.6-77.8172.1000112.2
795A25.3Very low32.1Very low76 Ų76131.8 Ų131.863%0.62876%0.758SS**  trans-144.196.1171.100000111.2I797A795-I797 PolarHBondContact O-N 3.34Å
796P26.1Very low29.8Very low128 Ų128130.2 Ų130.283%0.83177%0.765SS**  trans-76.889.517731.1-33.6000110.5V798P796-V798 PolarHBondContact O-N 3.02Å
797I28.5Very low28.5Very low155 Ų155131.7 Ų131.780%0.79577%0.772SS**  trans-82106172.9-60.6-177.5000108.8A795A795-I797 PolarHBondContact O-N 3.34Å
798V28.3Very low27.5Very low115 Ų115136.5 Ų136.570%0.69778%0.784SS**  trans-58.5131.3172.7176.70000109.7P796 L800P796-V798 PolarHBondContact O-N 3.02Å; V798-L800 PolarHBondContact O-N 3.47Å
799P29.7Very low27.2Very low119 Ų119134.6 Ų134.677%0.77379%0.789SS**  trans-68.5131178.327.8-34.3000111
800L27.5Very low26.9Very low159 Ų159133.9 Ų133.983%0.83279%0.792SS**  trans-121.3141.2166.5-79.2170.6000109.1V798V798-L800 PolarHBondContact O-N 3.47Å
801N26.4Very low26.9Very low154 Ų154135 Ų13582%0.82480%0.797SS**  trans-60.9142.4-159.5-58-59.3000114.5G803N801-G803 PolarHBondContact O-N 3.01Å
802P28.6Very low27.1Very low136 Ų136137.6 Ų137.688%0.88381%0.806SS**  trans-77.1115.1166.431.6-31.7000110.6
803G24.9Very low27.4Very low65 Ų65132.5 Ų132.567%0.6779%0.793SS**  trans-169132.2173.700000110.4N801N801-G803 PolarHBondContact O-N 3.01Å
804D27.3Very low27.4Very low159 Ų159134.1 Ų134.185%0.8580%0.801SS**  trans61.9144.8-170.8-68-25.5000115
805L29Very low27.7Very low150 Ų150135.1 Ų135.179%0.78580%0.798SS**  cis-149.6172.54.8-127.6168.6000111.2
806T25.9Very low28.1Very low115 Ų115143.5 Ų143.571%0.70681%0.814SS**  trans-100.9161.6-171.931.90000115
807F27Very low28.4Very low184 Ų184149.5 Ų149.581%0.80782%0.82SS**  trans81.8110.8154.1-92.6-131.8000122.1
808L29Very low28.9Very low155 Ų155153.5 Ų153.581%0.81283%0.825SS**  45123.4126.9-58.9179.3000122.7
809G23.5Very low29Very low86 Ų86155.2 Ų155.289%0.88783%0.83SS**  119.3138.8123.800000118.2
810G24.7Very low29.1Very low83 Ų83160.8 Ų160.886%0.85684%0.835SS**  trans141.3108.9164.400000115.4
811E29Very low29.8Very low200 Ų200158.7 Ų158.794%0.93583%0.832SS**  trans-88.2133.6159.9-66.317794.700109.6
812D31.1Very low30.6Very low172 Ų172160.4 Ų160.492%0.9284%0.835SS**  -173.2162.9125.6-126.7-39.6000109.6
813G31Very low32Very low60 Ų60158.4 Ų158.462%0.61983%0.83SS**  trans-161.7168.3-176.600000117.4
814Q28.6Very low33.6Very low177 Ų177160.1 Ų160.183%0.82782%0.819SS**  trans-158.9119.9161.3-118.5172.177.200116.4
815K30.9Very low35.5Very low190 Ų190154.2 Ų154.283%0.82679%0.789SS**  trans3496.2138.5-59.2172.8-173.1166.40118.7
816R32.7Very low37.8Very low252 Ų252150.2 Ų150.295%0.95177%0.771SS**  trans-135.4118131.3-92.6-166.6172.7-161.5-2.7110.9
817R33.3Very low40.3Very low254 Ų254146.7 Ų146.796%0.95875%0.753SS**  trans-72.9124.6165.7-81.6-170.3172.1-147.7-1.2108.9
818R37.7Very low42.8Very low239 Ų239144.2 Ų144.290%0.90274%0.744SS**  trans-133.2132.7154.3-165.8175.4-170.5174.22.4105.9R820R818-R820 PolarHBondContact O-N 3.13Å; R818-R820 VanDerWaalsContact O-N 3.13Å
819N31.5Very low45.3Very low151 Ų151140.4 Ų140.481%0.80773%0.725SS**PPolyproline II helixtrans-62119.1-177.4-63.8-2.7000109
820R32Very low48.4Very low235 Ų235136.5 Ų136.589%0.88768%0.684SS**PPolyproline II helixtrans-64.2140.8152.9-86.7-175.6167.8173.7-4.9106.9R818R818-R820 PolarHBondContact O-N 3.13Å; R818-R820 VanDerWaalsContact O-N 3.13Å
821P42.1Very low51.4Low116 Ų116133.4 Ų133.475%0.75365%0.647SS**PPolyproline II helixtrans-54.6150.3156.4-17.831.4000108.8A823P821-A823 PolarHBondContact O-N 2.86Å
822E42.9Very low54.1Low190 Ų190126 Ų12689%0.88862%0.619SS**PPolyproline II helixtrans-56132.7163.7-68.8-177124.400108.1F824E822-F824 PolarHBondContact O-N 3.05Å
823A57.2Low56.8Low94 Ų94122.2 Ų122.278%0.77760%0.595SS**PPolyproline II helixtrans-60.7130.1176.600000108.3P821P821-A823 PolarHBondContact O-N 2.86Å
824F59.3Low59.8Low101 Ų101119.3 Ų119.344%0.44357%0.565SS.*PPolyproline II helixtrans-61.9124176.8-134-89.4000107.6K781 E822 T826K781-F824 HydrophobicContact CB-CE1 3.84Å; K781-F824 HydrophobicContact CB-CZ 3.98Å; K781-F824 HydrophobicContact CD-CE1 4.28Å; K781-F824 HydrophobicContact CD-CZ 3.99Å; K781-F824 HydrophobicContact CG-CZ 4.34Å; E822-F824 PolarHBondContact O-N 3.05Å; F824-T826 PolarHBondContact O-N 2.86Å
825P68.1Low62.6Low34 Ų34112.6 Ų112.622%0.22153%0.534CS..PPolyproline II helixtrans-61.5138.5-174.925.3-34.1000110.1D829 I830P825-D829 HydrophobicContact CB-CB 3.81Å; P825-I830 HydrophobicContact CB-CD1 4.42Å; P825-I830 HydrophobicContact CB-CG1 4.07Å; P825-I830 HydrophobicContact CG-CD1 4.2Å; P825-I830 HydrophobicContact CG-CG1 4.19Å
826T76.8Confident65.3Low67 Ų67109.4 Ų109.441%0.41152%0.522SS..PPolyproline II helixtrans-68.7168.2177.368.20000111.6F824 E828 D829 I830F824-T826 PolarHBondContact O-N 2.86Å; T826-E828 PolarHBondContact O-N 3.3Å; T826-E828 PolarHBondContact OG1-N 3.31Å; T826-D829 PolarHBondContact N-OD2 2.9Å; T826-D829 WeakPolarHBondContact O-CB 3.43Å; T826-D829 PolarHBondContact O-N 3.25Å; T826-D829 WeakPolarHBondContact OG1-CB 3.28Å; T826-D829 PolarHBondContact OG1-N 2.85Å; T826-D829 PolarHBondContact OG1-OD2 2.93Å; T826-I830 WeakPolarHBondContact O-CD1 3.28Å; T826-I830 VanDerWaalsContact O-CG1 3.27Å; T826-I830 WeakPolarHBondContact O-CG1 3.49Å; T826-I830 PolarHBondContact O-N 3.4Å; T826-I830 VanDerWaalsContact O-N 3.09Å
827A78Confident68.1Low40 Ų4098.5 Ų98.533%0.33148%0.482SS..Hα-helixtrans-58.9-37.1171.200000111.3I830 F831 F876A827-I830 PolarHBondContact O-N 3.02Å; A827-F831 WeakPolarHBondContact O-CB 3.19Å; A827-F831 PolarHBondContact O-N 3.49Å; A827-F876 HydrophobicContact CB-CE2 4.06Å; A827-F876 HydrophobicContact CB-CZ 4.07Å
828E78.5Confident70.9Confident133 Ų13386.9 Ų86.962%0.62144%0.44SS*.Hα-helixtrans-65.9-46.7175.9-62.5160.4-169.100112T826 I830 F831 A832T826-E828 PolarHBondContact O-N 3.3Å; T826-E828 PolarHBondContact OG1-N 3.31Å; E828-I830 PolarHBondContact O-N 3.01Å; E828-F831 PolarHBondContact O-N 2.94Å; E828-A832 WeakPolarHBondContact O-CB 3.47Å; E828-A832 PolarHBondContact O-N 3.23Å
829D83.2Confident73.5Confident74 Ų7475.8 Ų75.840%0.39640%0.398SS..Hα-helixtrans-53.9-37.8172.6-92-49.1000112.3P825 T826 K833P825-D829 HydrophobicContact CB-CB 3.81Å; T826-D829 PolarHBondContact N-OD2 2.9Å; T826-D829 WeakPolarHBondContact O-CB 3.43Å; T826-D829 PolarHBondContact O-N 3.25Å; T826-D829 WeakPolarHBondContact OG1-CB 3.28Å; T826-D829 PolarHBondContact OG1-N 2.85Å; T826-D829 PolarHBondContact OG1-OD2 2.93Å; D829-K833 WeakPolarHBondContact O-CD 3.44Å; D829-K833 WeakPolarHBondContact O-CG 3.37Å; D829-K833 PolarHBondContact O-N 2.86Å; D829-K833 PolarHBondContact O-NZ 3.39Å; D829-K833 IonicContact OD1-NZ 2.71Å
830I87.2Confident76.3Confident5 Ų568.8 Ų68.83%0.02636%0.36CS..Hα-helixtrans-79.8-43.7-178-69.2166.7000110.1D778 I779 V782 P825 T826 A827 E828 K833 F834D778-I830 HydrophobicContact CB-CD1 4.43Å; D778-I830 HydrophobicContact CB-CG1 4.5Å; I779-I830 HydrophobicContact CB-CG2 4.42Å; I779-I830 HydrophobicContact CD1-CG2 4.22Å; I779-I830 HydrophobicContact CG1-CG2 3.29Å; V782-I830 HydrophobicContact CG2-CD1 3.54Å; P825-I830 HydrophobicContact CB-CD1 4.42Å; P825-I830 HydrophobicContact CB-CG1 4.07Å; P825-I830 HydrophobicContact CG-CD1 4.2Å; P825-I830 HydrophobicContact CG-CG1 4.19Å; T826-I830 WeakPolarHBondContact O-CD1 3.28Å; T826-I830 VanDerWaalsContact O-CG1 3.27Å; T826-I830 WeakPolarHBondContact O-CG1 3.49Å; T826-I830 PolarHBondContact O-N 3.4Å; T826-I830 VanDerWaalsContact O-N 3.09Å; A827-I830 PolarHBondContact O-N 3.02Å; E828-I830 PolarHBondContact O-N 3.01Å; I830-K833 PolarHBondContact O-N 3.04Å; I830-K833 VanDerWaalsContact O-N 3.17Å; I830-F834 WeakPolarHBondContact O-CB 3.46Å; I830-F834 PolarHBondContact O-N 3.29Å
831F88.2Confident79.2Confident18 Ų1858.6 Ų58.68%0.07932%0.323CS..Hα-helixtrans-59.8-47.4176-164.7-97000110.8A827 E828 K833 F834 Q835 F876 L880 Y883A827-F831 WeakPolarHBondContact O-CB 3.19Å; A827-F831 PolarHBondContact O-N 3.49Å; E828-F831 PolarHBondContact O-N 2.94Å; F831-K833 VanDerWaalsContact C-N 3.26Å; F831-K833 PolarHBondContact O-N 3.33Å; F831-F834 CarbonylContact O-C 3.58Å; F831-F834 WeakPolarHBondContact O-CA 3.33Å; F831-F834 WeakPolarHBondContact O-CB 3.44Å; F831-F834 PolarHBondContact O-N 3.04Å; F831-Q835 HydrophobicContact CD1-CG 3.99Å; F831-Q835 HydrophobicContact CE1-CG 3.95Å; F831-Q835 WeakPolarHBondContact O-CG 3.22Å; F831-Q835 PolarHBondContact O-N 3.3Å; F831-F876 HydrophobicContact CB-CE2 4.24Å; F831-F876 HydrophobicContact CB-CZ 4.37Å; F831-F876 AromaticContact CD2-CE2 3.92Å; F831-F876 HydrophobicContact CD2-CE2 3.92Å; F831-F876 HydrophobicContact CD2-CZ 4.37Å; F831-F876 HydrophobicContact CG-CE2 4.49Å; F831-L880 HydrophobicContact CD2-CD2 3.56Å; F831-L880 HydrophobicContact CD2-CG 4.24Å; F831-L880 HydrophobicContact CE2-CD2 3.86Å; F831-L880 HydrophobicContact CE2-CG 4.34Å; F831-Y883 HydrophobicContact CE1-CD2 4.45Å; F831-Y883 HydrophobicContact CZ-CD2 4.15Å; F831-Y883 HydrophobicContact CZ-CG 4.06Å
832A86Confident81.7Confident44 Ų4453.2 Ų53.236%0.36429%0.288SS..Hα-helixtrans-57-36.9175.300000112.9E828 H836E828-A832 WeakPolarHBondContact O-CB 3.47Å; E828-A832 PolarHBondContact O-N 3.23Å; A832-H836 PolarHBondContact O-ND1 3.34Å
833K88.8Confident84.2Confident92 Ų9244.9 Ų44.940%0.425%0.249SC..Hα-helixtrans-71.9-37.6174.6-68.7169.8-169.3870112.1I775 D829 I830 F831 H836I775-K833 HydrophobicContact CD1-CB 4.23Å; D829-K833 WeakPolarHBondContact O-CD 3.44Å; D829-K833 WeakPolarHBondContact O-CG 3.37Å; D829-K833 PolarHBondContact O-N 2.86Å; D829-K833 PolarHBondContact O-NZ 3.39Å; D829-K833 IonicContact OD1-NZ 2.71Å; I830-K833 PolarHBondContact O-N 3.04Å; I830-K833 VanDerWaalsContact O-N 3.17Å; F831-K833 VanDerWaalsContact C-N 3.26Å; F831-K833 PolarHBondContact O-N 3.33Å; K833-H836 PolarHBondContact O-N 3.47Å
834F92.1Very high85.8Confident0 Ų042.6 Ų42.60%022%0.222CC..Hα-helixtrans-64.4-38174.6174.4-94.6000112.2I775 I830 F831 H836 L837 Q842 V845 T846 L880 Y883I775-F834 HydrophobicContact CG2-CB 4.5Å; I830-F834 WeakPolarHBondContact O-CB 3.46Å; I830-F834 PolarHBondContact O-N 3.29Å; F831-F834 CarbonylContact O-C 3.58Å; F831-F834 WeakPolarHBondContact O-CA 3.33Å; F831-F834 WeakPolarHBondContact O-CB 3.44Å; F831-F834 PolarHBondContact O-N 3.04Å; F834-H836 PolarHBondContact O-N 3.37Å; F834-H836 VanDerWaalsContact O-N 3.08Å; F834-L837 HydrophobicContact CD2-CD1 4.26Å; F834-L837 WeakPolarHBondContact O-CB 3.19Å; F834-L837 PolarHBondContact O-N 3.18Å; F834-Q842 HydrophobicContact CD1-CG 4.41Å; F834-Q842 HydrophobicContact CD2-CG 4.29Å; F834-Q842 HydrophobicContact CE1-CB 4.28Å; F834-Q842 HydrophobicContact CE1-CG 4.08Å; F834-Q842 HydrophobicContact CE2-CB 3.77Å; F834-Q842 HydrophobicContact CE2-CG 3.94Å; F834-Q842 HydrophobicContact CZ-CB 3.62Å; F834-Q842 HydrophobicContact CZ-CG 3.84Å; F834-V845 HydrophobicContact CD2-CB 4.36Å; F834-V845 HydrophobicContact CD2-CG1 4.02Å; F834-V845 HydrophobicContact CE2-CB 4.02Å; F834-V845 HydrophobicContact CE2-CG1 3.93Å; F834-T846 HydrophobicContact CE2-CG2 3.98Å; F834-T846 HydrophobicContact CZ-CG2 3.69Å; F834-L880 HydrophobicContact CB-CD2 4.28Å; F834-L880 HydrophobicContact CD1-CD2 3.44Å; F834-L880 VanDerWaalsContact CD1-CD2 3.44Å; F834-L880 HydrophobicContact CD2-CD2 4.03Å; F834-L880 HydrophobicContact CE1-CB 4.34Å; F834-L880 HydrophobicContact CE1-CD2 3.56Å; F834-L880 HydrophobicContact CE2-CD2 4.13Å; F834-L880 HydrophobicContact CG-CD2 3.67Å; F834-L880 HydrophobicContact CZ-CB 4.23Å; F834-L880 HydrophobicContact CZ-CD2 3.89Å; F834-L880 WeakPolarHBondContact CZ-O 3.5Å; F834-Y883 HydrophobicContact CD1-CD1 4.26Å; F834-Y883 AromaticContact CE1-CD1 3.96Å; F834-Y883 HydrophobicContact CE1-CD1 3.96Å
835Q89.2Confident87.5Confident35 Ų3537.8 Ų37.816%0.16420%0.201CC..THydrogen-bonded Turntrans-60.8-17.7175.9-68.3-170.7-50.800114.5F831 Y883 N1187F831-Q835 HydrophobicContact CD1-CG 3.99Å; F831-Q835 HydrophobicContact CE1-CG 3.95Å; F831-Q835 WeakPolarHBondContact O-CG 3.22Å; F831-Q835 PolarHBondContact O-N 3.3Å; Q835-Y883 HydrophobicContact CB-CE1 4.1Å; Q835-Y883 HydrophobicContact CG-CD1 4.32Å; Q835-Y883 HydrophobicContact CG-CE1 3.73Å; Q835-Y883 HydrophobicContact CG-CE2 4.01Å; Q835-N1187 PolarHBondContact NE2-ND2 3.11Å; Q835-N1187 VanDerWaalsContact NE2-ND2 3.1Å
836H86.8Confident88.7Confident124 Ų12436.2 Ų36.257%0.57419%0.191SC*.THydrogen-bonded Turntrans-93.5-2.3177.5-71.578000113.9A832 K833 F834A832-H836 PolarHBondContact O-ND1 3.34Å; K833-H836 PolarHBondContact O-N 3.47Å; F834-H836 PolarHBondContact O-N 3.37Å; F834-H836 VanDerWaalsContact O-N 3.08Å
837L91.2Very high89.5Confident23 Ų2334.1 Ų34.112%0.1218%0.18CC..SBendtrans-80.1157.6172.5-70.2177.8000111.2I775 F834 D841 Q842 V845I775-L837 HydrophobicContact CD1-CD1 3.84Å; I775-L837 HydrophobicContact CD1-CD2 4.01Å; I775-L837 HydrophobicContact CD1-CG 3.92Å; I775-L837 HydrophobicContact CG2-CD1 4.23Å; F834-L837 HydrophobicContact CD2-CD1 4.26Å; F834-L837 WeakPolarHBondContact O-CB 3.19Å; F834-L837 PolarHBondContact O-N 3.18Å; L837-D841 HydrophobicContact CB-CB 4.08Å; L837-D841 HydrophobicContact CD1-CB 4.49Å; L837-D841 HydrophobicContact CD2-CB 4.28Å; L837-Q842 HydrophobicContact CB-CG 3.74Å; L837-Q842 PolarHBondContact O-NE2 3.4Å; L837-V845 HydrophobicContact CD1-CG2 3.94Å
838S91.3Very high90.3Very high10 Ų1036 Ų367%0.0718%0.182CC..  trans-68.1157.5169.375.70000111.1T737 R754 Y840 D841 Q842T737-S838 VanDerWaalsContact O-CB 3.23Å; T737-S838 WeakPolarHBondContact O-CB 3.19Å; T737-S838 PolarHBondContact O-OG 3.31Å; R754-S838 PolarHBondContact NH2-OG 3.08Å; S838-Y840 VanDerWaalsContact C-N 3.29Å; S838-Y840 PolarHBondContact O-N 3.19Å; S838-D841 WeakPolarHBondContact CB-OD2 3.45Å; S838-D841 PolarHBondContact O-N 2.85Å; S838-D841 PolarHBondContact OG-N 3.22Å; S838-D841 PolarHBondContact OG-OD2 2.93Å; S838-Q842 VanDerWaalsContact O-CG 3.31Å; S838-Q842 WeakPolarHBondContact O-CG 3.49Å; S838-Q842 PolarHBondContact O-N 2.79Å
839H92.2Very high91Very high6 Ų629.7 Ų29.73%0.02815%0.153CC..Hα-helixtrans-60.9-36.8-179.7-83.9-78.7000112.6F595 V598 H738 D841 Q842 H843 S884F595-H839 AromaticContact CD1-NE2 3.71Å; F595-H839 AromaticContact CE1-NE2 3.51Å; V598-H839 HydrophobicContact CG1-CB 3.66Å; H738-H839 AromaticContact ND1-CD2 3.69Å; H738-H839 WeakPolarHBondContact O-CB 3.26Å; H839-D841 PolarHBondContact O-N 3.24Å; H839-Q842 PolarHBondContact O-N 3.32Å; H839-H843 PolarHBondContact O-CD2 3.46Å; H839-H843 VanDerWaalsContact O-CD2 3.3Å; H839-H843 PolarHBondContact O-N 3Å; H839-S884 PolarHBondContact ND1-O 3.19Å
840Y92.1Very high91.6Very high4 Ų426.7 Ų26.72%0.01614%0.138CC..Hα-helixtrans-54-50.1167.2171.9-77000112.4H738 I741 C751 S838 Q842 H843 Q844H738-Y840 PolarHBondContact O-N 3.04Å; H738-Y840 VanDerWaalsContact O-N 3.16Å; I741-Y840 HydrophobicContact CB-CD2 4.32Å; I741-Y840 HydrophobicContact CB-CE2 3.89Å; I741-Y840 HydrophobicContact CD1-CD2 4.42Å; I741-Y840 HydrophobicContact CD1-CE2 3.86Å; I741-Y840 HydrophobicContact CG1-CD2 4Å; I741-Y840 HydrophobicContact CG1-CE2 3.77Å; C751-Y840 WeakPolarHBondContact CB-OH 3.44Å; C751-Y840 PolarHBondContact SG-OH 2.97Å; S838-Y840 VanDerWaalsContact C-N 3.29Å; S838-Y840 PolarHBondContact O-N 3.19Å; Y840-Q842 VanDerWaalsContact C-N 3.34Å; Y840-Q842 PolarHBondContact O-N 2.62Å; Y840-H843 WeakPolarHBondContact O-CB 3.41Å; Y840-H843 PolarHBondContact O-N 3.12Å; Y840-Q844 PolarHBondContact O-N 3.49Å
841D93.1Very high91.9Very high20 Ų2032.2 Ų32.211%0.10716%0.159CC..Hα-helixtrans-70.7-35.3-175.7-59.5-44.9000110.5R754 I772 L837 S838 H839 Q844 V845R754-D841 IonicContact NH1-OD1 2.71Å; I772-D841 HydrophobicContact CD1-CB 4.13Å; I772-D841 VanDerWaalsContact CD1-OD1 3.26Å; I772-D841 WeakPolarHBondContact CD1-OD1 3.45Å; I772-D841 HydrophobicContact CG1-CB 4.15Å; L837-D841 HydrophobicContact CB-CB 4.08Å; L837-D841 HydrophobicContact CD1-CB 4.49Å; L837-D841 HydrophobicContact CD2-CB 4.28Å; S838-D841 WeakPolarHBondContact CB-OD2 3.45Å; S838-D841 PolarHBondContact O-N 2.85Å; S838-D841 PolarHBondContact OG-N 3.22Å; S838-D841 PolarHBondContact OG-OD2 2.93Å; H839-D841 PolarHBondContact O-N 3.24Å; D841-Q844 PolarHBondContact O-N 2.83Å; D841-V845 WeakPolarHBondContact O-CG2 3.46Å; D841-V845 PolarHBondContact O-N 3.13Å
842Q94.3Very high92.2Very high3 Ų333.1 Ų33.11%0.01416%0.164CC..Hα-helixtrans-61.5-45.1172.1-67.4175.334.700111.4F834 L837 S838 H839 Y840 Q844 V845 T846 S884F834-Q842 HydrophobicContact CD1-CG 4.41Å; F834-Q842 HydrophobicContact CD2-CG 4.29Å; F834-Q842 HydrophobicContact CE1-CB 4.28Å; F834-Q842 HydrophobicContact CE1-CG 4.08Å; F834-Q842 HydrophobicContact CE2-CB 3.77Å; F834-Q842 HydrophobicContact CE2-CG 3.94Å; F834-Q842 HydrophobicContact CZ-CB 3.62Å; F834-Q842 HydrophobicContact CZ-CG 3.84Å; L837-Q842 HydrophobicContact CB-CG 3.74Å; L837-Q842 PolarHBondContact O-NE2 3.4Å; S838-Q842 VanDerWaalsContact O-CG 3.31Å; S838-Q842 WeakPolarHBondContact O-CG 3.49Å; S838-Q842 PolarHBondContact O-N 2.79Å; H839-Q842 PolarHBondContact O-N 3.32Å; Y840-Q842 VanDerWaalsContact C-N 3.34Å; Y840-Q842 PolarHBondContact O-N 2.62Å; Q842-Q844 VanDerWaalsContact C-N 3.33Å; Q842-Q844 PolarHBondContact O-N 2.77Å; Q842-V845 PolarHBondContact O-N 3.38Å; Q842-T846 WeakPolarHBondContact O-CG2 3.3Å; Q842-T846 PolarHBondContact O-N 3.06Å; Q842-T846 PolarHBondContact O-OG1 3.1Å; Q842-S884 VanDerWaalsContact OE1-CA 3.26Å
843H93.7Very high92.6Very high16 Ų1631 Ų317%0.07415%0.147CC..Hα-helixtrans-59-40.5172.7-88.4-133.6000112.3C602 P740 H839 Y840 T846 A847 S884 S886C602-H843 VanDerWaalsContact SG-CE1 3.51Å; P740-H843 HydrophobicContact CB-CB 4.26Å; P740-H843 WeakPolarHBondContact CB-ND1 3.26Å; H839-H843 PolarHBondContact O-CD2 3.46Å; H839-H843 VanDerWaalsContact O-CD2 3.3Å; H839-H843 PolarHBondContact O-N 3Å; Y840-H843 WeakPolarHBondContact O-CB 3.41Å; Y840-H843 PolarHBondContact O-N 3.12Å; H843-T846 PolarHBondContact O-OG1 3.16Å; H843-A847 WeakPolarHBondContact O-CB 3.37Å; H843-A847 PolarHBondContact O-N 3.1Å; H843-S884 PolarHBondContact CD2-O 3.36Å; H843-S884 PolarHBondContact NE2-O 3.15Å; H843-S884 VanDerWaalsContact NE2-O 3.14Å; H843-S886 PolarHBondContact CE1-OG 2.71Å; H843-S886 WeakPolarHBondContact NE2-CA 3.48Å; H843-S886 WeakPolarHBondContact NE2-CB 3.47Å; H843-S886 PolarHBondContact NE2-N 3.18Å
844Q91.9Very high92.9Very high46 Ų4628.2 Ų28.222%0.21514%0.136CC..Hα-helixtrans-64.7-40.7175.7176.4157.2107.800112.3I772 Y840 D841 Q842 Q848I772-Q844 HydrophobicContact CG2-CG 4.33Å; Y840-Q844 PolarHBondContact O-N 3.49Å; D841-Q844 PolarHBondContact O-N 2.83Å; Q842-Q844 VanDerWaalsContact C-N 3.33Å; Q842-Q844 PolarHBondContact O-N 2.77Å; Q844-Q848 WeakPolarHBondContact O-CG 3.45Å; Q844-Q848 PolarHBondContact O-N 3.28Å
845V94.5Very high92.9Very high0 Ų033.5 Ų33.50%016%0.161CC..Hα-helixtrans-65.5-50.8175.6171.50000110.8I772 I775 I779 F834 L837 D841 Q842 A847 Q848 V849I772-V845 HydrophobicContact CG2-CG2 3.85Å; I775-V845 HydrophobicContact CG2-CG1 4.39Å; I775-V845 HydrophobicContact CG2-CG2 4.49Å; I779-V845 HydrophobicContact CD1-CG1 3.36Å; F834-V845 HydrophobicContact CD2-CB 4.36Å; F834-V845 HydrophobicContact CD2-CG1 4.02Å; F834-V845 HydrophobicContact CE2-CB 4.02Å; F834-V845 HydrophobicContact CE2-CG1 3.93Å; L837-V845 HydrophobicContact CD1-CG2 3.94Å; D841-V845 WeakPolarHBondContact O-CG2 3.46Å; D841-V845 PolarHBondContact O-N 3.13Å; Q842-V845 PolarHBondContact O-N 3.38Å; V845-A847 PolarHBondContact O-N 3.05Å; V845-Q848 PolarHBondContact O-N 2.93Å; V845-V849 HydrophobicContact CG1-CG2 4.39Å; V845-V849 WeakPolarHBondContact O-CB 3.29Å; V845-V849 WeakPolarHBondContact O-CG2 3.4Å; V845-V849 PolarHBondContact O-N 3.17Å
846T94.5Very high93.1Very high0 Ų033.6 Ų33.60%016%0.161CC..Hα-helixtrans-64.6-41.5-177.155.30000112.2F834 Q842 H843 Q848 V849 S850 L880 M881F834-T846 HydrophobicContact CE2-CG2 3.98Å; F834-T846 HydrophobicContact CZ-CG2 3.69Å; Q842-T846 WeakPolarHBondContact O-CG2 3.3Å; Q842-T846 PolarHBondContact O-N 3.06Å; Q842-T846 PolarHBondContact O-OG1 3.1Å; H843-T846 PolarHBondContact O-OG1 3.16Å; T846-Q848 PolarHBondContact O-N 2.98Å; T846-V849 PolarHBondContact O-N 3.01Å; T846-V849 VanDerWaalsContact O-N 3.09Å; T846-S850 PolarHBondContact O-N 2.99Å; T846-S850 PolarHBondContact O-OG 3.46Å; T846-S850 VanDerWaalsContact O-OG 3.14Å; T846-L880 HydrophobicContact CG2-CB 3.98Å; T846-M881 HydrophobicContact CG2-CG 3.88Å
847A93.1Very high93.4Very high23 Ų2327.8 Ų27.819%0.1913%0.134CC..Hα-helixtrans-66.6-20.6177.800000113.9Q743 H843 V845 R851Q743-A847 HydrophobicContact CB-CB 4.14Å; Q743-A847 HydrophobicContact CG-CB 4.06Å; H843-A847 WeakPolarHBondContact O-CB 3.37Å; H843-A847 PolarHBondContact O-N 3.1Å; V845-A847 PolarHBondContact O-N 3.05Å; A847-R851 PolarHBondContact O-NE 3.19Å; A847-R851 PolarHBondContact O-NH2 2.74Å
848Q93.4Very high93.6Very high79 Ų7928.7 Ų28.737%0.36914%0.141SC..Hα-helixtrans-83.2-36170.1-72174.11100111.4T776 Q844 V845 T846 N852T776-Q848 HydrophobicContact CG2-CB 3.97Å; Q844-Q848 WeakPolarHBondContact O-CG 3.45Å; Q844-Q848 PolarHBondContact O-N 3.28Å; V845-Q848 PolarHBondContact O-N 2.93Å; T846-Q848 PolarHBondContact O-N 2.98Å; Q848-N852 PolarHBondContact O-N 3.23Å
849V94.4Very high93.7Very high1 Ų130.6 Ų30.61%0.00615%0.154CC..Hα-helixtrans-73.1-45.5-178.3164.70000112.4T776 I779 L780 L783 V845 T846 N852 V853 V877T776-V849 HydrophobicContact CG2-CG2 4.19Å; I779-V849 HydrophobicContact CB-CG2 4.24Å; I779-V849 HydrophobicContact CD1-CG2 4.47Å; I779-V849 HydrophobicContact CG2-CG1 4.04Å; I779-V849 HydrophobicContact CG2-CG2 3.68Å; L780-V849 HydrophobicContact CD2-CG2 4.28Å; L780-V849 HydrophobicContact CG-CG2 4.46Å; L783-V849 HydrophobicContact CD1-CG1 3.43Å; L783-V849 VanDerWaalsContact CD1-CG1 3.43Å; V845-V849 HydrophobicContact CG1-CG2 4.39Å; V845-V849 WeakPolarHBondContact O-CB 3.29Å; V845-V849 WeakPolarHBondContact O-CG2 3.4Å; V845-V849 PolarHBondContact O-N 3.17Å; T846-V849 PolarHBondContact O-N 3.01Å; T846-V849 VanDerWaalsContact O-N 3.09Å; V849-N852 PolarHBondContact O-N 2.7Å; V849-V853 PolarHBondContact O-N 3.33Å; V849-V853 VanDerWaalsContact O-N 3.14Å; V849-V877 HydrophobicContact CG1-CB 4.35Å; V849-V877 HydrophobicContact CG1-CG1 4Å; V849-V877 HydrophobicContact CG1-CG2 3.42Å; V849-V877 VanDerWaalsContact CG1-CG2 3.42Å
850S94.7Very high93.7Very high12 Ų1230.7 Ų30.78%0.08415%0.154CC..Hα-helixtrans-64.4-44.2178.560.50000111.9T846 N852 V853 L854 F893T846-S850 PolarHBondContact O-N 2.99Å; T846-S850 PolarHBondContact O-OG 3.46Å; T846-S850 VanDerWaalsContact O-OG 3.14Å; S850-N852 VanDerWaalsContact C-N 3.32Å; S850-N852 PolarHBondContact O-N 3.47Å; S850-V853 PolarHBondContact O-N 3.23Å; S850-V853 VanDerWaalsContact O-N 3.12Å; S850-L854 PolarHBondContact O-N 3.07Å; S850-F893 WeakPolarHBondContact O-CE2 3.47Å
851R94Very high93.7Very high121 Ų12131 Ų3146%0.45716%0.158SC..Hα-helixtrans-54.3-45.4172.4-82.9-174.5-78.6-155.3-7.1111.8A847 V853 L854 E855A847-R851 PolarHBondContact O-NE 3.19Å; A847-R851 PolarHBondContact O-NH2 2.74Å; R851-V853 VanDerWaalsContact C-N 3.33Å; R851-V853 PolarHBondContact O-N 2.93Å; R851-L854 PolarHBondContact O-N 2.93Å; R851-E855 WeakPolarHBondContact O-CB 3.47Å; R851-E855 VanDerWaalsContact O-CG 3.26Å; R851-E855 WeakPolarHBondContact O-CG 3.47Å; R851-E855 PolarHBondContact O-N 3.33Å
852N94.1Very high93.7Very high36 Ų3636 Ų3619%0.19318%0.184CC..Hα-helixtrans-69.8-25.6179.2-172.6-118.8000114.5L780 N784 Q848 V849 S850 E855 Q856L780-N852 HydrophobicContact CD2-CB 3.89Å; L780-N852 WeakPolarHBondContact CD2-OD1 3.25Å; N784-N852 PolarHBondContact ND2-OD1 2.93Å; N784-N852 VanDerWaalsContact ND2-OD1 3.09Å; Q848-N852 PolarHBondContact O-N 3.23Å; V849-N852 PolarHBondContact O-N 2.7Å; S850-N852 VanDerWaalsContact C-N 3.32Å; S850-N852 PolarHBondContact O-N 3.47Å; N852-E855 WeakPolarHBondContact CA-OE2 3.25Å; N852-E855 PolarHBondContact ND2-OE2 3.03Å; N852-E855 VanDerWaalsContact ND2-OE2 3.08Å; N852-Q856 WeakPolarHBondContact O-CG 3.37Å; N852-Q856 PolarHBondContact O-N 2.96Å; N852-Q856 PolarHBondContact O-NE2 2.9Å; N852-Q856 PolarHBondContact OD1-NE2 2.97Å
853V94.3Very high93.4Very high1 Ų137.1 Ų37.11%0.00620%0.196CC..Hα-helixtrans-75.3-40.6171.6171.30000110.9L783 V849 S850 R851 Q856 I857 P869 V874 V877 F893L783-V853 HydrophobicContact CD1-CG2 4.3Å; V849-V853 PolarHBondContact O-N 3.33Å; V849-V853 VanDerWaalsContact O-N 3.14Å; S850-V853 PolarHBondContact O-N 3.23Å; S850-V853 VanDerWaalsContact O-N 3.12Å; R851-V853 VanDerWaalsContact C-N 3.33Å; R851-V853 PolarHBondContact O-N 2.93Å; V853-Q856 PolarHBondContact O-N 2.97Å; V853-I857 HydrophobicContact CG1-CD1 4.13Å; V853-I857 PolarHBondContact O-N 3.45Å; V853-P869 HydrophobicContact CG1-CG 4.22Å; V853-V874 HydrophobicContact CG1-CG1 4.41Å; V853-V874 HydrophobicContact CG1-CG2 3.99Å; V853-V877 HydrophobicContact CG2-CG2 4.17Å; V853-F893 HydrophobicContact CB-CZ 4.12Å; V853-F893 HydrophobicContact CG1-CZ 4Å
854L94.8Very high93.2Very high33 Ų3343.8 Ų43.817%0.17323%0.229CC..Hα-helixtrans-62.8-47.4174.5-170.866.6000111.3S850 R851 Q856 I857 T858 F893 Q896 L897 E900S850-L854 PolarHBondContact O-N 3.07Å; R851-L854 PolarHBondContact O-N 2.93Å; L854-Q856 PolarHBondContact O-N 2.85Å; L854-I857 PolarHBondContact O-N 2.63Å; L854-T858 PolarHBondContact O-N 3.35Å; L854-T858 PolarHBondContact O-OG1 3.38Å; L854-F893 HydrophobicContact CB-CE2 4.19Å; L854-Q896 HydrophobicContact CD1-CB 4.05Å; L854-Q896 HydrophobicContact CD2-CB 4.22Å; L854-L897 HydrophobicContact CD1-CD2 4.17Å; L854-E900 HydrophobicContact CD1-CG 4.45Å
855E93.8Very high93Very high110 Ų11042.8 Ų42.851%0.51423%0.227SC..Hα-helixtrans-51.5-41.7174.9-77.5167.3178.500112.4R851 N852 S859R851-E855 WeakPolarHBondContact O-CB 3.47Å; R851-E855 VanDerWaalsContact O-CG 3.26Å; R851-E855 WeakPolarHBondContact O-CG 3.47Å; R851-E855 PolarHBondContact O-N 3.33Å; N852-E855 WeakPolarHBondContact CA-OE2 3.25Å; N852-E855 PolarHBondContact ND2-OE2 3.03Å; N852-E855 VanDerWaalsContact ND2-OE2 3.08Å; E855-S859 WeakPolarHBondContact O-CB 3.3Å; E855-S859 PolarHBondContact O-N 3Å; E855-S859 PolarHBondContact O-OG 2.86Å
856Q92.2Very high92.6Very high38 Ų3851.4 Ų51.418%0.17826%0.261CS..Hα-helixtrans-67.2-42.9177.2-76.2170.877.100112.3N784 N852 V853 L854 F860N784-Q856 PolarHBondContact OD1-NE2 3.06Å; N852-Q856 WeakPolarHBondContact O-CG 3.37Å; N852-Q856 PolarHBondContact O-N 2.96Å; N852-Q856 PolarHBondContact O-NE2 2.9Å; N852-Q856 PolarHBondContact OD1-NE2 2.97Å; V853-Q856 PolarHBondContact O-N 2.97Å; L854-Q856 PolarHBondContact O-N 2.85Å; Q856-F860 PolarHBondContact O-N 3.41Å
857I93.9Very high92.2Very high2 Ų256 Ų561%0.0128%0.282CS..Hα-helixtrans-70-47.8-178.9-71.4170.3000110.7V853 L854 S859 F860 A861 L868 P869 L897 E900 V904 L923V853-I857 HydrophobicContact CG1-CD1 4.13Å; V853-I857 PolarHBondContact O-N 3.45Å; L854-I857 PolarHBondContact O-N 2.63Å; I857-S859 VanDerWaalsContact C-N 3.33Å; I857-S859 PolarHBondContact O-N 2.67Å; I857-F860 WeakPolarHBondContact O-CA 3.38Å; I857-F860 WeakPolarHBondContact O-CB 3.45Å; I857-F860 PolarHBondContact O-N 3.05Å; I857-A861 PolarHBondContact O-N 3.08Å; I857-L868 HydrophobicContact CG1-CD2 4.41Å; I857-P869 HydrophobicContact CD1-CG 3.74Å; I857-P869 HydrophobicContact CG1-CG 3.62Å; I857-L897 HydrophobicContact CD1-CD2 3.44Å; I857-L897 VanDerWaalsContact CD1-CD2 3.44Å; I857-E900 HydrophobicContact CG2-CB 3.99Å; I857-E900 HydrophobicContact CG2-CG 4.49Å; I857-V904 HydrophobicContact CG2-CG2 3.92Å; I857-L923 HydrophobicContact CD1-CD2 4.36Å
858T94.5Very high92Very high41 Ų4156.4 Ų56.425%0.25228%0.281SS..Hα-helixtrans-64.9-36175-59.50000111.7L854 F860 A861 L862 E900L854-T858 PolarHBondContact O-N 3.35Å; L854-T858 PolarHBondContact O-OG1 3.38Å; T858-F860 VanDerWaalsContact C-N 3.27Å; T858-F860 PolarHBondContact O-N 3.36Å; T858-A861 PolarHBondContact O-N 3.49Å; T858-L862 HydrophobicContact CG2-CD1 3.9Å; T858-L862 HydrophobicContact CG2-CG 4.25Å; T858-L862 WeakPolarHBondContact O-CB 3.38Å; T858-L862 VanDerWaalsContact O-CG 3.27Å; T858-L862 WeakPolarHBondContact O-CG 3.42Å; T858-L862 PolarHBondContact O-N 2.82Å; T858-E900 VanDerWaalsContact CA-OE2 3.28Å; T858-E900 WeakPolarHBondContact CA-OE2 3.34Å; T858-E900 VanDerWaalsContact CB-OE2 3.3Å; T858-E900 WeakPolarHBondContact CB-OE2 3.46Å; T858-E900 WeakPolarHBondContact CG2-OE2 3.49Å; T858-E900 VanDerWaalsContact OG1-CD 3.3Å; T858-E900 PolarHBondContact OG1-OE2 3.01Å
859S93.7Very high91.9Very high50 Ų5052.9 Ų52.935%0.3527%0.265SS..Hα-helixtrans-62.4-33.6171.2-64.90000112.5E855 I857 M864 S865E855-S859 WeakPolarHBondContact O-CB 3.3Å; E855-S859 PolarHBondContact O-N 3Å; E855-S859 PolarHBondContact O-OG 2.86Å; I857-S859 VanDerWaalsContact C-N 3.33Å; I857-S859 PolarHBondContact O-N 2.67Å; S859-M864 CarbonylContact O-C 3.49Å; S859-M864 WeakPolarHBondContact O-CA 3.46Å; S859-M864 WeakPolarHBondContact O-CB 3.33Å; S859-M864 PolarHBondContact O-N 2.9Å; S859-S865 PolarHBondContact O-N 3.26Å
860F93.3Very high91.6Very high8 Ų856.4 Ų56.44%0.03528%0.284CS..Hα-helixtrans-72.2-46.4172.5-175.3-84.7000111.5Q856 I857 T858 L862 G863 S865 L868 V904 E907 L908 K911Q856-F860 PolarHBondContact O-N 3.41Å; I857-F860 WeakPolarHBondContact O-CA 3.38Å; I857-F860 WeakPolarHBondContact O-CB 3.45Å; I857-F860 PolarHBondContact O-N 3.05Å; T858-F860 VanDerWaalsContact C-N 3.27Å; T858-F860 PolarHBondContact O-N 3.36Å; F860-L862 PolarHBondContact O-N 3.44Å; F860-G863 WeakPolarHBondContact O-CA 3.3Å; F860-G863 PolarHBondContact O-N 3.15Å; F860-S865 VanDerWaalsContact CD2-O 3.31Å; F860-S865 WeakPolarHBondContact CD2-O 3.43Å; F860-L868 HydrophobicContact CB-CD2 3.74Å; F860-L868 HydrophobicContact CB-CG 4.25Å; F860-L868 HydrophobicContact CD1-CD1 4.11Å; F860-L868 HydrophobicContact CD1-CD2 3.72Å; F860-L868 HydrophobicContact CD1-CG 3.94Å; F860-L868 HydrophobicContact CD2-CD1 4.39Å; F860-L868 HydrophobicContact CD2-CD2 4.21Å; F860-L868 HydrophobicContact CD2-CG 3.79Å; F860-L868 HydrophobicContact CE1-CD1 3.97Å; F860-L868 HydrophobicContact CE1-CD2 4.42Å; F860-L868 HydrophobicContact CE1-CG 4.25Å; F860-L868 HydrophobicContact CE2-CD1 4.24Å; F860-L868 HydrophobicContact CE2-CG 4.09Å; F860-L868 HydrophobicContact CG-CD1 4.33Å; F860-L868 HydrophobicContact CG-CD2 3.6Å; F860-L868 HydrophobicContact CG-CG 3.7Å; F860-L868 HydrophobicContact CZ-CD1 4.04Å; F860-L868 HydrophobicContact CZ-CG 4.32Å; F860-V904 HydrophobicContact CD1-CG1 4.16Å; F860-V904 HydrophobicContact CD1-CG2 4.5Å; F860-V904 HydrophobicContact CE1-CG1 4.22Å; F860-E907 HydrophobicContact CD1-CG 4.39Å; F860-E907 HydrophobicContact CE1-CB 4.11Å; F860-E907 HydrophobicContact CE1-CG 3.94Å; F860-E907 HydrophobicContact CZ-CG 4.41Å; F860-L908 HydrophobicContact CE1-CD2 4.09Å; F860-L908 HydrophobicContact CE1-CG 3.98Å; F860-L908 HydrophobicContact CZ-CD2 3.73Å; F860-L908 HydrophobicContact CZ-CG 4.12Å; F860-K911 HydrophobicContact CE2-CD 4.33Å; F860-K911 HydrophobicContact CZ-CD 4.16Å
861A91.6Very high91.4Very high10 Ų1057.4 Ų57.48%0.08329%0.289CS..Hα-helixtrans-59.9-31.8178.800000113.3I857 T858 G863 V903 V904I857-A861 PolarHBondContact O-N 3.08Å; T858-A861 PolarHBondContact O-N 3.49Å; A861-G863 VanDerWaalsContact C-N 3.28Å; A861-G863 PolarHBondContact O-N 3.34Å; A861-V903 HydrophobicContact CB-CB 4.12Å; A861-V903 HydrophobicContact CB-CG1 3.88Å; A861-V903 WeakPolarHBondContact O-CG1 3.36Å; A861-V904 HydrophobicContact CB-CG2 4.03Å
862L93.4Very high91.1Very high125 Ų12557.7 Ų57.765%0.65430%0.296SS*.THydrogen-bonded Turntrans-82.95.3172.9-65.3174000113.9T858 F860 M864T858-L862 HydrophobicContact CG2-CD1 3.9Å; T858-L862 HydrophobicContact CG2-CG 4.25Å; T858-L862 WeakPolarHBondContact O-CB 3.38Å; T858-L862 VanDerWaalsContact O-CG 3.27Å; T858-L862 WeakPolarHBondContact O-CG 3.42Å; T858-L862 PolarHBondContact O-N 2.82Å; F860-L862 PolarHBondContact O-N 3.44Å; L862-M864 HydrophobicContact CB-CG 4.11Å; L862-M864 PolarHBondContact O-N 3.38Å
863G88Confident90.9Very high27 Ų2757.1 Ų57.128%0.27829%0.292SS..THydrogen-bonded Turntrans71.73.6-178.400000115.3F860 A861F860-G863 WeakPolarHBondContact O-CA 3.3Å; F860-G863 PolarHBondContact O-N 3.15Å; A861-G863 VanDerWaalsContact C-N 3.28Å; A861-G863 PolarHBondContact O-N 3.34Å
864M90Very high90.8Very high157 Ų15757.1 Ų57.177%0.77329%0.292SS*.SBendtrans-81.2-15.6-176.5-60.4-67.8-74.200113.3S859 L862S859-M864 CarbonylContact O-C 3.49Å; S859-M864 WeakPolarHBondContact O-CA 3.46Å; S859-M864 WeakPolarHBondContact O-CB 3.33Å; S859-M864 PolarHBondContact O-N 2.9Å; L862-M864 HydrophobicContact CB-CG 4.11Å; L862-M864 PolarHBondContact O-N 3.38Å
865S87.2Confident90.6Very high24 Ų2457.3 Ų57.317%0.16829%0.292CS..  trans-122.6149.6176.9-178.30000111.7S859 F860 H867S859-S865 PolarHBondContact O-N 3.26Å; F860-S865 VanDerWaalsContact CD2-O 3.31Å; F860-S865 WeakPolarHBondContact CD2-O 3.43Å; S865-H867 PolarHBondContact OG-N 3.2Å; S865-H867 PolarHBondContact OG-O 2.65Å
866Y86Confident90.5Very high181 Ų18153.5 Ų53.571%0.7127%0.273SS*.SBendtrans-106.79.6168.4-69.9-92.4000112.3K911Y866-K911 HydrophobicContact CD1-CD 4.33Å; Y866-K911 HydrophobicContact CE1-CD 4.44Å
867H85Confident90.6Very high97 Ų9751.7 Ų51.745%0.44927%0.265SS..  trans-126.8129.8-179.1-58.2-42.1000110.5K786 S865K786-H867 PolarHBondContact NZ-CD2 3.05Å; K786-H867 VanDerWaalsContact NZ-CD2 3.3Å; K786-H867 PolarHBondContact NZ-NE2 3.26Å; S865-H867 PolarHBondContact OG-N 3.2Å; S865-H867 PolarHBondContact OG-O 2.65Å
868L89.3Confident90.6Very high32 Ų3251.7 Ų51.717%0.16827%0.265CS..PPolyproline II helixtrans-101.1150166-75.4163.5000109.3I857 F860 V904 L908 Y919I857-L868 HydrophobicContact CG1-CD2 4.41Å; F860-L868 HydrophobicContact CB-CD2 3.74Å; F860-L868 HydrophobicContact CB-CG 4.25Å; F860-L868 HydrophobicContact CD1-CD1 4.11Å; F860-L868 HydrophobicContact CD1-CD2 3.72Å; F860-L868 HydrophobicContact CD1-CG 3.94Å; F860-L868 HydrophobicContact CD2-CD1 4.39Å; F860-L868 HydrophobicContact CD2-CD2 4.21Å; F860-L868 HydrophobicContact CD2-CG 3.79Å; F860-L868 HydrophobicContact CE1-CD1 3.97Å; F860-L868 HydrophobicContact CE1-CD2 4.42Å; F860-L868 HydrophobicContact CE1-CG 4.25Å; F860-L868 HydrophobicContact CE2-CD1 4.24Å; F860-L868 HydrophobicContact CE2-CG 4.09Å; F860-L868 HydrophobicContact CG-CD1 4.33Å; F860-L868 HydrophobicContact CG-CD2 3.6Å; F860-L868 HydrophobicContact CG-CG 3.7Å; F860-L868 HydrophobicContact CZ-CD1 4.04Å; F860-L868 HydrophobicContact CZ-CG 4.32Å; L868-V904 HydrophobicContact CD1-CG1 4.07Å; L868-V904 HydrophobicContact CD2-CG1 4.05Å; L868-L908 HydrophobicContact CD1-CD1 4.27Å; L868-L908 HydrophobicContact CD1-CD2 4.03Å; L868-L908 HydrophobicContact CD1-CG 4.38Å; L868-Y919 HydrophobicContact CB-CE1 4.47Å; L868-Y919 HydrophobicContact CB-CE2 4.27Å; L868-Y919 HydrophobicContact CD1-CD1 3.96Å; L868-Y919 HydrophobicContact CD1-CE1 3.81Å; L868-Y919 HydrophobicContact CD1-CG 4.41Å; L868-Y919 HydrophobicContact CD2-CE1 4.11Å; L868-Y919 HydrophobicContact CG-CE1 4.36Å
869P91.3Very high90.5Very high5 Ų551.1 Ų51.13%0.03226%0.26CS..PPolyproline II helixtrans-69.7147.9168.731.1-34.2000110.3V853 I857 V874 Y919V853-P869 HydrophobicContact CG1-CG 4.22Å; I857-P869 HydrophobicContact CD1-CG 3.74Å; I857-P869 HydrophobicContact CG1-CG 3.62Å; P869-V874 HydrophobicContact CB-CG2 4.47Å; P869-V874 HydrophobicContact CG-CG2 4.2Å; P869-Y919 VanDerWaalsContact O-CE2 3.28Å; P869-Y919 WeakPolarHBondContact O-CE2 3.29Å; P869-Y919 PolarHBondContact O-OH 3.08Å
870L89.1Confident90.5Very high75 Ų7548.8 Ų48.839%0.39324%0.244SC..PPolyproline II helixtrans-66.2144.4175.2-62.1174.6000110.7Q872 H873 V874L870-Q872 VanDerWaalsContact C-N 3.26Å; L870-Q872 HydrophobicContact CB-CG 3.82Å; L870-Q872 HydrophobicContact CD1-CG 4.44Å; L870-Q872 PolarHBondContact O-N 3.39Å; L870-H873 HydrophobicContact CB-CB 4.48Å; L870-H873 WeakPolarHBondContact O-CA 3.21Å; L870-H873 VanDerWaalsContact O-CB 3.28Å; L870-H873 WeakPolarHBondContact O-CB 3.32Å; L870-H873 PolarHBondContact O-N 3.01Å; L870-V874 PolarHBondContact O-N 2.98Å
871V89.8Confident90.6Very high32 Ų3248.6 Ų48.619%0.19424%0.243CC..Hα-helixtrans-57.7-40.1-179.1-177.10000111.6H873 V874 Q875 Y919 L923V871-H873 PolarHBondContact O-N 2.87Å; V871-V874 PolarHBondContact O-N 3.47Å; V871-V874 VanDerWaalsContact O-N 3.11Å; V871-Q875 PolarHBondContact O-N 2.91Å; V871-Y919 HydrophobicContact CG2-CD2 3.92Å; V871-Y919 HydrophobicContact CG2-CE2 3.8Å; V871-L923 HydrophobicContact CG2-CB 4.38Å
872Q86.8Confident90.6Very high128 Ų12848.2 Ų48.260%0.59824%0.24SC*.Hα-helixtrans-58-30.3172.359.9172.326.500114.1L870 F876L870-Q872 VanDerWaalsContact C-N 3.26Å; L870-Q872 HydrophobicContact CB-CG 3.82Å; L870-Q872 HydrophobicContact CD1-CG 4.44Å; L870-Q872 PolarHBondContact O-N 3.39Å; Q872-F876 WeakPolarHBondContact O-CB 2.94Å; Q872-F876 PolarHBondContact O-N 3.17Å
873H89.9Confident90.5Very high24 Ų2444.3 Ų44.311%0.11122%0.216CC..Hα-helixtrans-73.3-39.5176.2-69.5-175.3000110.6V782 L783 L870 V871 F876 V877V782-H873 PolarHBondContact O-CE1 3.37Å; L783-H873 HydrophobicContact CD2-CB 3.64Å; L783-H873 PolarHBondContact O-CE1 3.41Å; L783-H873 PolarHBondContact O-ND1 3.28Å; L870-H873 HydrophobicContact CB-CB 4.48Å; L870-H873 WeakPolarHBondContact O-CA 3.21Å; L870-H873 VanDerWaalsContact O-CB 3.28Å; L870-H873 WeakPolarHBondContact O-CB 3.32Å; L870-H873 PolarHBondContact O-N 3.01Å; V871-H873 PolarHBondContact O-N 2.87Å; H873-F876 PolarHBondContact O-N 3.37Å; H873-V877 WeakPolarHBondContact O-CG2 3.37Å; H873-V877 PolarHBondContact O-N 3.35Å
874V93.1Very high90.7Very high0 Ų043 Ų430%020%0.203CC..Hα-helixtrans-67.3-42.5175.1-167.50000110.9V853 P869 L870 V871 F876 V877 F878 L897 L923V853-V874 HydrophobicContact CG1-CG1 4.41Å; V853-V874 HydrophobicContact CG1-CG2 3.99Å; P869-V874 HydrophobicContact CB-CG2 4.47Å; P869-V874 HydrophobicContact CG-CG2 4.2Å; L870-V874 PolarHBondContact O-N 2.98Å; V871-V874 PolarHBondContact O-N 3.47Å; V871-V874 VanDerWaalsContact O-N 3.11Å; V874-F876 VanDerWaalsContact C-N 3.35Å; V874-F876 PolarHBondContact O-N 2.84Å; V874-V877 WeakPolarHBondContact O-CA 3.28Å; V874-V877 WeakPolarHBondContact O-CB 3.35Å; V874-V877 PolarHBondContact O-N 3.25Å; V874-F878 HydrophobicContact CG1-CE1 4.06Å; V874-F878 HydrophobicContact CG1-CE2 4.38Å; V874-F878 HydrophobicContact CG1-CZ 3.92Å; V874-F878 PolarHBondContact O-N 3.31Å; V874-L897 HydrophobicContact CG1-CD1 3.72Å; V874-L923 HydrophobicContact CB-CD1 4.02Å; V874-L923 HydrophobicContact CG1-CD1 3.92Å; V874-L923 HydrophobicContact CG2-CD1 4.16Å
875Q91.4Very high90.8Very high37 Ų3736.4 Ų36.417%0.17317%0.171CC..Hα-helixtrans-59.9-42175.6-170.5-173.2-58.600112.1V871 V877 F878 D879 S1203V871-Q875 PolarHBondContact O-N 2.91Å; Q875-V877 PolarHBondContact O-N 3.43Å; Q875-F878 WeakPolarHBondContact O-CB 3.46Å; Q875-F878 PolarHBondContact O-N 3.45Å; Q875-F878 VanDerWaalsContact O-N 3.08Å; Q875-D879 PolarHBondContact O-N 2.86Å; Q875-S1203 VanDerWaalsContact CD-OG 3.29Å; Q875-S1203 WeakPolarHBondContact CG-OG 3.48Å; Q875-S1203 VanDerWaalsContact NE2-N 3.16Å; Q875-S1203 PolarHBondContact NE2-OG 3.17Å; Q875-S1203 VanDerWaalsContact NE2-OG 3.09Å
876F90.9Very high91Very high30 Ų3036 Ų3613%0.13217%0.168CC..Hα-helixtrans-62-30.2174-176.6-116.3000112.9L783 A827 F831 Q872 H873 V874 L880L783-F876 HydrophobicContact CD2-CD1 4.39Å; A827-F876 HydrophobicContact CB-CE2 4.06Å; A827-F876 HydrophobicContact CB-CZ 4.07Å; F831-F876 HydrophobicContact CB-CE2 4.24Å; F831-F876 HydrophobicContact CB-CZ 4.37Å; F831-F876 AromaticContact CD2-CE2 3.92Å; F831-F876 HydrophobicContact CD2-CE2 3.92Å; F831-F876 HydrophobicContact CD2-CZ 4.37Å; F831-F876 HydrophobicContact CG-CE2 4.49Å; Q872-F876 WeakPolarHBondContact O-CB 2.94Å; Q872-F876 PolarHBondContact O-N 3.17Å; H873-F876 PolarHBondContact O-N 3.37Å; V874-F876 VanDerWaalsContact C-N 3.35Å; V874-F876 PolarHBondContact O-N 2.84Å; F876-L880 HydrophobicContact CD1-CD1 3.93Å; F876-L880 HydrophobicContact CE1-CD1 3.7Å; F876-L880 HydrophobicContact CE1-CG 4.37Å; F876-L880 HydrophobicContact CZ-CD1 4.12Å; F876-L880 HydrophobicContact CZ-CD2 4.44Å; F876-L880 HydrophobicContact CZ-CG 4.34Å; F876-L880 VanDerWaalsContact O-CG 3.26Å; F876-L880 WeakPolarHBondContact O-CG 3.48Å; F876-L880 PolarHBondContact O-N 3.04Å; F876-L880 VanDerWaalsContact O-N 3.09Å
877V94.1Very high91.4Very high0 Ų027.4 Ų27.40%013%0.134CC..Hα-helixtrans-71.6-38172.1178.30000111.7L783 V849 V853 H873 V874 Q875 L880 M881 F893L783-V877 HydrophobicContact CD1-CG2 3.93Å; L783-V877 HydrophobicContact CD2-CG2 4.16Å; V849-V877 HydrophobicContact CG1-CB 4.35Å; V849-V877 HydrophobicContact CG1-CG1 4Å; V849-V877 HydrophobicContact CG1-CG2 3.42Å; V849-V877 VanDerWaalsContact CG1-CG2 3.42Å; V853-V877 HydrophobicContact CG2-CG2 4.17Å; H873-V877 WeakPolarHBondContact O-CG2 3.37Å; H873-V877 PolarHBondContact O-N 3.35Å; V874-V877 WeakPolarHBondContact O-CA 3.28Å; V874-V877 WeakPolarHBondContact O-CB 3.35Å; V874-V877 PolarHBondContact O-N 3.25Å; Q875-V877 PolarHBondContact O-N 3.43Å; V877-L880 PolarHBondContact O-N 3.2Å; V877-M881 HydrophobicContact CG1-CG 4.38Å; V877-M881 HydrophobicContact CG1-SD 3.96Å; V877-M881 WeakPolarHBondContact O-CB 3.4Å; V877-M881 VanDerWaalsContact O-CG 3.28Å; V877-M881 WeakPolarHBondContact O-CG 3.33Å; V877-M881 PolarHBondContact O-N 3.02Å; V877-F893 HydrophobicContact CB-CE1 4.41Å; V877-F893 HydrophobicContact CG1-CD1 4.5Å; V877-F893 HydrophobicContact CG1-CE1 3.74Å; V877-F893 HydrophobicContact CG1-CZ 4.39Å
878F94.9Very high91.8Very high3 Ų323 Ų231%0.01312%0.115CC..Hα-helixtrans-60.2-47.1171.8-62.6-21.2000111.4V874 Q875 L880 M881 E882 L890 F893 L897 C926 I927 V930V874-F878 HydrophobicContact CG1-CE1 4.06Å; V874-F878 HydrophobicContact CG1-CE2 4.38Å; V874-F878 HydrophobicContact CG1-CZ 3.92Å; V874-F878 PolarHBondContact O-N 3.31Å; Q875-F878 WeakPolarHBondContact O-CB 3.46Å; Q875-F878 PolarHBondContact O-N 3.45Å; Q875-F878 VanDerWaalsContact O-N 3.08Å; F878-L880 VanDerWaalsContact C-N 3.33Å; F878-L880 PolarHBondContact O-N 3.47Å; F878-M881 PolarHBondContact O-N 2.9Å; F878-M881 VanDerWaalsContact O-N 3.12Å; F878-E882 PolarHBondContact O-N 3.12Å; F878-L890 HydrophobicContact CB-CD1 3.89Å; F878-L890 HydrophobicContact CD1-CD1 3.45Å; F878-L890 VanDerWaalsContact CD1-CD1 3.45Å; F878-L890 HydrophobicContact CE1-CD1 4.21Å; F878-L890 HydrophobicContact CG-CD1 3.89Å; F878-F893 HydrophobicContact CD1-CD1 4.03Å; F878-F893 HydrophobicContact CD1-CE1 4.02Å; F878-F893 AromaticContact CE1-CD1 3.7Å; F878-F893 HydrophobicContact CE1-CD1 3.7Å; F878-F893 AromaticContact CE1-CE1 3.7Å; F878-F893 HydrophobicContact CE1-CE1 3.7Å; F878-L897 HydrophobicContact CE1-CD1 3.76Å; F878-L897 HydrophobicContact CZ-CD1 3.71Å; F878-C926 HydrophobicContact CE2-CB 4.05Å; F878-I927 HydrophobicContact CE2-CG1 4.35Å; F878-I927 HydrophobicContact CZ-CG1 4.01Å; F878-V930 HydrophobicContact CB-CG2 4.19Å; F878-V930 HydrophobicContact CD2-CG2 3.68Å; F878-V930 HydrophobicContact CE2-CG2 4.24Å; F878-V930 HydrophobicContact CG-CG2 4.08Å
879D91.8Very high92Very high29 Ų2922.6 Ų22.616%0.15512%0.118CC..Hα-helixtrans-61-39178.8-66.43.7000112.1Q875 Y883 S1203Q875-D879 PolarHBondContact O-N 2.86Å; D879-Y883 WeakPolarHBondContact O-CB 3.49Å; D879-Y883 PolarHBondContact O-N 3.34Å; D879-S1203 WeakPolarHBondContact OD1-CB 3.46Å; D879-S1203 PolarHBondContact OD1-OG 3.21Å; D879-S1203 WeakPolarHBondContact OD2-CB 3.45Å; D879-S1203 PolarHBondContact OD2-OG 3.31Å
880L93.8Very high92.1Very high1 Ų122.3 Ų22.31%0.00512%0.116CC..Hα-helixtrans-66.2-39.8173.4-74.6167.5000112.8I779 F831 F834 T846 F876 V877 F878 S884I779-L880 HydrophobicContact CD1-CD1 4.36Å; I779-L880 HydrophobicContact CG2-CD1 4.38Å; F831-L880 HydrophobicContact CD2-CD2 3.56Å; F831-L880 HydrophobicContact CD2-CG 4.24Å; F831-L880 HydrophobicContact CE2-CD2 3.86Å; F831-L880 HydrophobicContact CE2-CG 4.34Å; F834-L880 HydrophobicContact CB-CD2 4.28Å; F834-L880 HydrophobicContact CD1-CD2 3.44Å; F834-L880 VanDerWaalsContact CD1-CD2 3.44Å; F834-L880 HydrophobicContact CD2-CD2 4.03Å; F834-L880 HydrophobicContact CE1-CB 4.34Å; F834-L880 HydrophobicContact CE1-CD2 3.56Å; F834-L880 HydrophobicContact CE2-CD2 4.13Å; F834-L880 HydrophobicContact CG-CD2 3.67Å; F834-L880 HydrophobicContact CZ-CB 4.23Å; F834-L880 HydrophobicContact CZ-CD2 3.89Å; F834-L880 WeakPolarHBondContact CZ-O 3.5Å; T846-L880 HydrophobicContact CG2-CB 3.98Å; F876-L880 HydrophobicContact CD1-CD1 3.93Å; F876-L880 HydrophobicContact CE1-CD1 3.7Å; F876-L880 HydrophobicContact CE1-CG 4.37Å; F876-L880 HydrophobicContact CZ-CD1 4.12Å; F876-L880 HydrophobicContact CZ-CD2 4.44Å; F876-L880 HydrophobicContact CZ-CG 4.34Å; F876-L880 VanDerWaalsContact O-CG 3.26Å; F876-L880 WeakPolarHBondContact O-CG 3.48Å; F876-L880 PolarHBondContact O-N 3.04Å; F876-L880 VanDerWaalsContact O-N 3.09Å; V877-L880 PolarHBondContact O-N 3.2Å; F878-L880 VanDerWaalsContact C-N 3.33Å; F878-L880 PolarHBondContact O-N 3.47Å; L880-S884 WeakPolarHBondContact O-CB 3.36Å; L880-S884 PolarHBondContact O-N 3.2Å; L880-S884 VanDerWaalsContact O-N 3.16Å; L880-S884 PolarHBondContact O-OG 3.26Å
881M94.7Very high92.5Very high4 Ų418.9 Ų18.92%0.0210%0.098CC..Hα-helixtrans-73.3-33.8179.6-73.6179.68200112.9T846 V877 F878 S884 S886 G889 L890 F893T846-M881 HydrophobicContact CG2-CG 3.88Å; V877-M881 HydrophobicContact CG1-CG 4.38Å; V877-M881 HydrophobicContact CG1-SD 3.96Å; V877-M881 WeakPolarHBondContact O-CB 3.4Å; V877-M881 VanDerWaalsContact O-CG 3.28Å; V877-M881 WeakPolarHBondContact O-CG 3.33Å; V877-M881 PolarHBondContact O-N 3.02Å; F878-M881 PolarHBondContact O-N 2.9Å; F878-M881 VanDerWaalsContact O-N 3.12Å; M881-S884 PolarHBondContact O-OG 2.86Å; M881-S884 VanDerWaalsContact O-OG 3.14Å; M881-S886 WeakPolarHBondContact O-CB 3.48Å; M881-S886 PolarHBondContact O-N 2.86Å; M881-G889 WeakPolarHBondContact CE-O 3.47Å; M881-L890 HydrophobicContact CB-CB 4.14Å; M881-L890 HydrophobicContact CB-CD1 4.14Å; M881-L890 HydrophobicContact CE-CB 4.38Å; M881-L890 HydrophobicContact SD-CD1 4.49Å; M881-F893 HydrophobicContact CE-CB 4.29Å; M881-F893 HydrophobicContact SD-CD1 3.72Å; M881-F893 HydrophobicContact SD-CE1 4.34Å; M881-F893 HydrophobicContact SD-CG 4.44Å
882E92Very high92.7Very high2 Ų218.8 Ų18.81%0.00910%0.097CC..Hα-helixtrans-70.6-46.9173.4-179.6170.2-173.200111.5R520 F878 S884 L885 L890 H933 Y934 L1186 H1207R520-E882 IonicContact CZ-OE1 2.94Å; R520-E882 IonicContact NH1-OE1 3.19Å; R520-E882 PolarHBondContact NH1-OE1 3.1Å; R520-E882 IonicContact NH2-OE1 2.83Å; F878-E882 PolarHBondContact O-N 3.12Å; E882-S884 PolarHBondContact O-N 2.83Å; E882-L885 PolarHBondContact O-N 3.04Å; E882-L890 HydrophobicContact CB-CD2 4.07Å; E882-H933 IonicContact OE1-NE2 2.67Å; E882-Y934 HydrophobicContact CG-CE2 4.46Å; E882-Y934 WeakPolarHBondContact CG-OH 3.36Å; E882-Y934 PolarHBondContact OE1-OH 3.2Å; E882-L1186 HydrophobicContact CG-CD1 3.81Å; E882-L1186 HydrophobicContact CG-CD2 4.26Å; E882-L1186 WeakPolarHBondContact OE1-CD2 3.45Å; E882-L1186 WeakPolarHBondContact OE2-CD2 3.48Å; E882-H1207 IonicContact OE2-CD2 2.72Å; E882-H1207 IonicContact OE2-CE1 3.21Å; E882-H1207 IonicContact OE2-NE2 2.63Å; E882-H1207 PolarHBondContact OE2-NE2 3.12Å
883Y90.6Very high93.2Very high42 Ų4213 Ų1317%0.1657%0.069CC..Hα-helixtrans-59.5-35.6177.6-176.2-86.1000112F831 F834 Q835 D879 L885F831-Y883 HydrophobicContact CE1-CD2 4.45Å; F831-Y883 HydrophobicContact CZ-CD2 4.15Å; F831-Y883 HydrophobicContact CZ-CG 4.06Å; F834-Y883 HydrophobicContact CD1-CD1 4.26Å; F834-Y883 AromaticContact CE1-CD1 3.96Å; F834-Y883 HydrophobicContact CE1-CD1 3.96Å; Q835-Y883 HydrophobicContact CB-CE1 4.1Å; Q835-Y883 HydrophobicContact CG-CD1 4.32Å; Q835-Y883 HydrophobicContact CG-CE1 3.73Å; Q835-Y883 HydrophobicContact CG-CE2 4.01Å; D879-Y883 WeakPolarHBondContact O-CB 3.49Å; D879-Y883 PolarHBondContact O-N 3.34Å; Y883-L885 PolarHBondContact O-N 3.16Å
884S92.1Very high93.5Very high0 Ų011.8 Ų11.80%06%0.064CC..THydrogen-bonded Turntrans-74.6-6.117870.10000115.1H839 Q842 H843 L880 M881 E882 S886H839-S884 PolarHBondContact ND1-O 3.19Å; Q842-S884 VanDerWaalsContact OE1-CA 3.26Å; H843-S884 PolarHBondContact CD2-O 3.36Å; H843-S884 PolarHBondContact NE2-O 3.15Å; H843-S884 VanDerWaalsContact NE2-O 3.14Å; L880-S884 WeakPolarHBondContact O-CB 3.36Å; L880-S884 PolarHBondContact O-N 3.2Å; L880-S884 VanDerWaalsContact O-N 3.16Å; L880-S884 PolarHBondContact O-OG 3.26Å; M881-S884 PolarHBondContact O-OG 2.86Å; M881-S884 VanDerWaalsContact O-OG 3.14Å; E882-S884 PolarHBondContact O-N 2.83Å; S884-S886 VanDerWaalsContact C-N 3.28Å; S884-S886 WeakPolarHBondContact OG-CB 3.31Å
885L91.9Very high93.7Very high18 Ų1812.1 Ų12.19%0.0947%0.066CC..THydrogen-bonded Turntrans69.819.7-172.9-48.8172.6000113.8F595 V598 L599 E882 Y883 I887F595-L885 HydrophobicContact CB-CD1 3.96Å; F595-L885 HydrophobicContact CG-CD1 4.44Å; F595-L885 WeakPolarHBondContact O-CD1 3.41Å; V598-L885 HydrophobicContact CB-CD1 4.5Å; V598-L885 HydrophobicContact CG1-CD1 4.35Å; L599-L885 HydrophobicContact CD1-CB 4.37Å; L599-L885 WeakPolarHBondContact CD1-O 3.2Å; E882-L885 PolarHBondContact O-N 3.04Å; Y883-L885 PolarHBondContact O-N 3.16Å; L885-I887 PolarHBondContact O-N 3.1Å
886S92.7Very high93.8Very high15 Ų1514.4 Ų14.411%0.1058%0.076CC..  trans-80.650.7-179.5-150.90000112.3H843 M881 S884 G889 L890H843-S886 PolarHBondContact CE1-OG 2.71Å; H843-S886 WeakPolarHBondContact NE2-CA 3.48Å; H843-S886 WeakPolarHBondContact NE2-CB 3.47Å; H843-S886 PolarHBondContact NE2-N 3.18Å; M881-S886 WeakPolarHBondContact O-CB 3.48Å; M881-S886 PolarHBondContact O-N 2.86Å; S884-S886 VanDerWaalsContact C-N 3.28Å; S884-S886 WeakPolarHBondContact OG-CB 3.31Å; S886-G889 CarbonylContact O-C 3.45Å; S886-G889 PolarHBondContact O-N 2.77Å; S886-L890 WeakPolarHBondContact O-CB 3.41Å; S886-L890 PolarHBondContact O-N 3.09Å
887I93.6Very high94.1Very high1 Ų113 Ų131%0.0057%0.07CC..Hα-helixtrans-65.9-47-166.3-59.9167.3000111.9R520 M524 L599 L885 G889 L890 I891 Y934R520-I887 HydrophobicContact CB-CD1 3.56Å; R520-I887 HydrophobicContact CG-CD1 3.99Å; M524-I887 HydrophobicContact SD-CG2 4.45Å; L599-I887 HydrophobicContact CD1-CD1 3.85Å; L599-I887 HydrophobicContact CD1-CG1 4.39Å; L599-I887 HydrophobicContact CD2-CD1 3.76Å; L599-I887 HydrophobicContact CG-CD1 4.49Å; L885-I887 PolarHBondContact O-N 3.1Å; I887-G889 VanDerWaalsContact C-N 3.31Å; I887-G889 PolarHBondContact O-N 3.19Å; I887-L890 WeakPolarHBondContact O-CB 3.37Å; I887-L890 PolarHBondContact O-N 3.39Å; I887-I891 HydrophobicContact CG2-CD1 4.11Å; I887-I891 WeakPolarHBondContact O-CG1 3.44Å; I887-I891 PolarHBondContact O-N 2.7Å; I887-Y934 HydrophobicContact CB-CE1 4.4Å; I887-Y934 HydrophobicContact CD1-CE1 3.85Å; I887-Y934 HydrophobicContact CG1-CE1 3.99Å; I887-Y934 HydrophobicContact CG2-CD1 3.53Å; I887-Y934 HydrophobicContact CG2-CE1 3.51Å; I887-Y934 HydrophobicContact CG2-CG 4.14Å
888S93.2Very high94.1Very high5 Ų513.2 Ų13.24%0.0357%0.071CC..Hα-helixtrans-59.4-42.4173.5-72.20000111.8M524 E603 L890 I891 D892M524-S888 WeakPolarHBondContact CE-OG 3.43Å; E603-S888 VanDerWaalsContact OE1-CB 3.29Å; E603-S888 WeakPolarHBondContact OE1-CB 3.45Å; E603-S888 PolarHBondContact OE1-OG 2.65Å; E603-S888 PolarHBondContact OE2-OG 3.1Å; S888-L890 VanDerWaalsContact C-N 3.33Å; S888-L890 PolarHBondContact O-N 3.25Å; S888-I891 PolarHBondContact O-N 3.3Å; S888-D892 WeakPolarHBondContact O-CB 3.47Å; S888-D892 PolarHBondContact O-N 2.9Å
889G93.3Very high94Very high23 Ų2315.6 Ų15.624%0.2378%0.084CC..Hα-helixtrans-65.1-34.5175.800000113.5M881 S886 I887 F893M881-G889 WeakPolarHBondContact CE-O 3.47Å; S886-G889 CarbonylContact O-C 3.45Å; S886-G889 PolarHBondContact O-N 2.77Å; I887-G889 VanDerWaalsContact C-N 3.31Å; I887-G889 PolarHBondContact O-N 3.19Å; G889-F893 WeakPolarHBondContact O-CB 3.28Å; G889-F893 PolarHBondContact O-N 3.42Å
890L95.4Very high94Very high0 Ų016.5 Ų16.50%09%0.087CC..Hα-helixtrans-68.5-42.4176.6175.257.1000111.3F878 M881 E882 S886 I887 S888 A894 V930 Y934F878-L890 HydrophobicContact CB-CD1 3.89Å; F878-L890 HydrophobicContact CD1-CD1 3.45Å; F878-L890 VanDerWaalsContact CD1-CD1 3.45Å; F878-L890 HydrophobicContact CE1-CD1 4.21Å; F878-L890 HydrophobicContact CG-CD1 3.89Å; M881-L890 HydrophobicContact CB-CB 4.14Å; M881-L890 HydrophobicContact CB-CD1 4.14Å; M881-L890 HydrophobicContact CE-CB 4.38Å; M881-L890 HydrophobicContact SD-CD1 4.49Å; E882-L890 HydrophobicContact CB-CD2 4.07Å; S886-L890 WeakPolarHBondContact O-CB 3.41Å; S886-L890 PolarHBondContact O-N 3.09Å; I887-L890 WeakPolarHBondContact O-CB 3.37Å; I887-L890 PolarHBondContact O-N 3.39Å; S888-L890 VanDerWaalsContact C-N 3.33Å; S888-L890 PolarHBondContact O-N 3.25Å; L890-A894 VanDerWaalsContact O-CB 3.24Å; L890-A894 WeakPolarHBondContact O-CB 3.35Å; L890-A894 PolarHBondContact O-N 3.32Å; L890-V930 HydrophobicContact CD1-CG1 4Å; L890-V930 HydrophobicContact CD2-CG1 3.82Å; L890-V930 HydrophobicContact CG-CG1 3.69Å; L890-Y934 HydrophobicContact CD2-CE2 4.23Å
891I95.9Very high93.9Very high3 Ų316.5 Ų16.52%0.0159%0.088CC..Hα-helixtrans-64.8-49.3173.5-66.2167.1000110I887 S888 F893 A894 I895 L931 C937 L938I887-I891 HydrophobicContact CG2-CD1 4.11Å; I887-I891 WeakPolarHBondContact O-CG1 3.44Å; I887-I891 PolarHBondContact O-N 2.7Å; S888-I891 PolarHBondContact O-N 3.3Å; I891-F893 VanDerWaalsContact C-N 3.32Å; I891-F893 PolarHBondContact O-N 2.83Å; I891-A894 PolarHBondContact O-N 3.34Å; I891-I895 HydrophobicContact CG2-CD1 3.76Å; I891-I895 HydrophobicContact CG2-CG1 4.44Å; I891-I895 VanDerWaalsContact O-CG1 3.27Å; I891-I895 WeakPolarHBondContact O-CG1 3.26Å; I891-I895 PolarHBondContact O-N 2.99Å; I891-L931 HydrophobicContact CG2-CD2 4.15Å; I891-C937 HydrophobicContact CD1-CB 3.6Å; I891-L938 HydrophobicContact CG2-CD1 4.04Å
892D94.9Very high93.6Very high30 Ų3019.6 Ų19.616%0.1611%0.11CC..Hα-helixtrans-57.3-43.9178.5-68.7-13000111.2R606 S888 I895 Q896 Q944R606-D892 IonicContact CZ-OD2 3.75Å; R606-D892 IonicContact NH1-OD2 3.66Å; R606-D892 PolarHBondContact NH1-OD2 2.89Å; R606-D892 IonicContact NH2-OD1 3.33Å; R606-D892 IonicContact NH2-OD2 2.79Å; R606-D892 PolarHBondContact NH2-OD2 3.16Å; S888-D892 WeakPolarHBondContact O-CB 3.47Å; S888-D892 PolarHBondContact O-N 2.9Å; D892-I895 PolarHBondContact O-N 3.36Å; D892-Q896 WeakPolarHBondContact O-CG 3.48Å; D892-Q896 PolarHBondContact O-N 3.33Å; D892-Q944 PolarHBondContact OD1-NE2 3Å
893F96.4Very high93.5Very high5 Ų522.7 Ų22.72%0.02213%0.129CC..Hα-helixtrans-67.6-43176.4178-132.9000112.8S850 V853 L854 V877 F878 M881 G889 I891 I895 Q896 L897S850-F893 WeakPolarHBondContact O-CE2 3.47Å; V853-F893 HydrophobicContact CB-CZ 4.12Å; V853-F893 HydrophobicContact CG1-CZ 4Å; L854-F893 HydrophobicContact CB-CE2 4.19Å; V877-F893 HydrophobicContact CB-CE1 4.41Å; V877-F893 HydrophobicContact CG1-CD1 4.5Å; V877-F893 HydrophobicContact CG1-CE1 3.74Å; V877-F893 HydrophobicContact CG1-CZ 4.39Å; F878-F893 HydrophobicContact CD1-CD1 4.03Å; F878-F893 HydrophobicContact CD1-CE1 4.02Å; F878-F893 AromaticContact CE1-CD1 3.7Å; F878-F893 HydrophobicContact CE1-CD1 3.7Å; F878-F893 AromaticContact CE1-CE1 3.7Å; F878-F893 HydrophobicContact CE1-CE1 3.7Å; M881-F893 HydrophobicContact CE-CB 4.29Å; M881-F893 HydrophobicContact SD-CD1 3.72Å; M881-F893 HydrophobicContact SD-CE1 4.34Å; M881-F893 HydrophobicContact SD-CG 4.44Å; G889-F893 WeakPolarHBondContact O-CB 3.28Å; G889-F893 PolarHBondContact O-N 3.42Å; I891-F893 VanDerWaalsContact C-N 3.32Å; I891-F893 PolarHBondContact O-N 2.83Å; F893-I895 VanDerWaalsContact C-N 3.3Å; F893-I895 PolarHBondContact O-N 3.09Å; F893-Q896 PolarHBondContact O-N 3.41Å; F893-L897 HydrophobicContact CD1-CD1 4.25Å; F893-L897 HydrophobicContact CD2-CD1 4.22Å; F893-L897 HydrophobicContact CD2-CG 4.1Å; F893-L897 HydrophobicContact CE1-CD1 3.9Å; F893-L897 HydrophobicContact CE2-CD1 3.87Å; F893-L897 HydrophobicContact CE2-CD2 3.93Å; F893-L897 HydrophobicContact CE2-CG 3.83Å; F893-L897 HydrophobicContact CG-CD1 4.4Å; F893-L897 HydrophobicContact CZ-CD1 3.71Å; F893-L897 HydrophobicContact CZ-CD2 4.25Å; F893-L897 HydrophobicContact CZ-CG 4.17Å; F893-L897 WeakPolarHBondContact O-CG 3.3Å; F893-L897 PolarHBondContact O-N 2.99Å
894A97Very high93.6Very high0 Ų020.7 Ų20.70%012%0.121CC..Hα-helixtrans-63.3-36.1176.800000112.3L890 I891 L898 I927 L931L890-A894 VanDerWaalsContact O-CB 3.24Å; L890-A894 WeakPolarHBondContact O-CB 3.35Å; L890-A894 PolarHBondContact O-N 3.32Å; I891-A894 PolarHBondContact O-N 3.34Å; A894-L898 WeakPolarHBondContact O-CB 3.27Å; A894-L898 PolarHBondContact O-N 3.42Å; A894-I927 HydrophobicContact CB-CG2 4.36Å; A894-L931 HydrophobicContact CB-CD2 4.15Å; A894-L931 HydrophobicContact CB-CG 4.29Å
895I96.1Very high93.5Very high6 Ų622 Ų223%0.03113%0.127CC..Hα-helixtrans-67.3-45.7173-67.9170.5000110.9I891 D892 F893 L897 L898 N899 L938 Q944 Q947 V948I891-I895 HydrophobicContact CG2-CD1 3.76Å; I891-I895 HydrophobicContact CG2-CG1 4.44Å; I891-I895 VanDerWaalsContact O-CG1 3.27Å; I891-I895 WeakPolarHBondContact O-CG1 3.26Å; I891-I895 PolarHBondContact O-N 2.99Å; D892-I895 PolarHBondContact O-N 3.36Å; F893-I895 VanDerWaalsContact C-N 3.3Å; F893-I895 PolarHBondContact O-N 3.09Å; I895-L897 PolarHBondContact O-N 3.25Å; I895-L898 WeakPolarHBondContact O-CB 3.41Å; I895-L898 PolarHBondContact O-N 3.22Å; I895-N899 PolarHBondContact O-N 2.91Å; I895-N899 VanDerWaalsContact O-N 3.14Å; I895-N899 PolarHBondContact O-ND2 3.06Å; I895-L938 HydrophobicContact CD1-CD1 4.2Å; I895-Q944 HydrophobicContact CD1-CB 3.76Å; I895-Q944 HydrophobicContact CD1-CG 3.81Å; I895-Q947 HydrophobicContact CG2-CG 4.05Å; I895-V948 HydrophobicContact CD1-CG2 3.99Å; I895-V948 HydrophobicContact CG1-CG2 3.61Å
896Q95.3Very high93.4Very high86 Ų8623.8 Ų23.840%0.40214%0.144SC..Hα-helixtrans-57.6-48177-73.1161.91500111.3L854 D892 F893 L898 N899 E900L854-Q896 HydrophobicContact CD1-CB 4.05Å; L854-Q896 HydrophobicContact CD2-CB 4.22Å; D892-Q896 WeakPolarHBondContact O-CG 3.48Å; D892-Q896 PolarHBondContact O-N 3.33Å; F893-Q896 PolarHBondContact O-N 3.41Å; Q896-L898 VanDerWaalsContact C-N 3.35Å; Q896-L898 PolarHBondContact O-N 2.95Å; Q896-N899 PolarHBondContact O-N 3.44Å; Q896-E900 WeakPolarHBondContact O-CG 3.45Å; Q896-E900 PolarHBondContact O-N 3.42Å
897L95.6Very high93.3Very high1 Ų124.6 Ų24.61%0.00515%0.146CC..Hα-helixtrans-59.2-42.5175.1-68.3171.7000112.7L854 I857 V874 F878 F893 I895 N899 E900 L901 I927L854-L897 HydrophobicContact CD1-CD2 4.17Å; I857-L897 HydrophobicContact CD1-CD2 3.44Å; I857-L897 VanDerWaalsContact CD1-CD2 3.44Å; V874-L897 HydrophobicContact CG1-CD1 3.72Å; F878-L897 HydrophobicContact CE1-CD1 3.76Å; F878-L897 HydrophobicContact CZ-CD1 3.71Å; F893-L897 HydrophobicContact CD1-CD1 4.25Å; F893-L897 HydrophobicContact CD2-CD1 4.22Å; F893-L897 HydrophobicContact CD2-CG 4.1Å; F893-L897 HydrophobicContact CE1-CD1 3.9Å; F893-L897 HydrophobicContact CE2-CD1 3.87Å; F893-L897 HydrophobicContact CE2-CD2 3.93Å; F893-L897 HydrophobicContact CE2-CG 3.83Å; F893-L897 HydrophobicContact CG-CD1 4.4Å; F893-L897 HydrophobicContact CZ-CD1 3.71Å; F893-L897 HydrophobicContact CZ-CD2 4.25Å; F893-L897 HydrophobicContact CZ-CG 4.17Å; F893-L897 WeakPolarHBondContact O-CG 3.3Å; F893-L897 PolarHBondContact O-N 2.99Å; I895-L897 PolarHBondContact O-N 3.25Å; L897-N899 VanDerWaalsContact C-N 3.35Å; L897-N899 PolarHBondContact O-N 3.04Å; L897-E900 PolarHBondContact O-N 3.21Å; L897-L901 WeakPolarHBondContact O-CG 3.44Å; L897-L901 PolarHBondContact O-N 2.91Å; L897-I927 HydrophobicContact CB-CD1 3.73Å
898L95.3Very high93.2Very high3 Ų324.7 Ų24.72%0.01615%0.147CC..Hα-helixtrans-60.6-40.6-179.5177.658.7000112.7A894 I895 Q896 L901 I927 V948 L952 V955A894-L898 WeakPolarHBondContact O-CB 3.27Å; A894-L898 PolarHBondContact O-N 3.42Å; I895-L898 WeakPolarHBondContact O-CB 3.41Å; I895-L898 PolarHBondContact O-N 3.22Å; Q896-L898 VanDerWaalsContact C-N 3.35Å; Q896-L898 PolarHBondContact O-N 2.95Å; L898-L901 HydrophobicContact CD1-CD1 4.17Å; L898-L901 PolarHBondContact O-N 3.2Å; L898-I927 HydrophobicContact CB-CD1 4.48Å; L898-I927 HydrophobicContact CB-CG2 4.27Å; L898-V948 HydrophobicContact CD2-CB 4.41Å; L898-V948 HydrophobicContact CD2-CG1 4.3Å; L898-V948 HydrophobicContact CD2-CG2 4.46Å; L898-L952 HydrophobicContact CD1-CD2 3.77Å; L898-L952 HydrophobicContact CD1-CG 4.34Å; L898-L952 HydrophobicContact CD2-CD2 4.13Å; L898-L952 HydrophobicContact CD2-CG 4.01Å; L898-V955 HydrophobicContact CD1-CG2 4.43Å
899N92.1Very high93Very high54 Ų5429.8 Ų29.829%0.28917%0.173SC..Hα-helixtrans-61-46.3177.6-61.1-50.6000111.1I895 Q896 L897 L901 S902 Q947I895-N899 PolarHBondContact O-N 2.91Å; I895-N899 VanDerWaalsContact O-N 3.14Å; I895-N899 PolarHBondContact O-ND2 3.06Å; Q896-N899 PolarHBondContact O-N 3.44Å; L897-N899 VanDerWaalsContact C-N 3.35Å; L897-N899 PolarHBondContact O-N 3.04Å; N899-L901 VanDerWaalsContact C-N 3.31Å; N899-L901 PolarHBondContact O-N 2.8Å; N899-S902 PolarHBondContact O-OG 3.49Å; N899-Q947 PolarHBondContact ND2-NE2 3.23Å; N899-Q947 PolarHBondContact OD1-NE2 2.88Å; N899-Q947 VanDerWaalsContact OD1-NE2 3.15Å
900E92.4Very high92.9Very high47 Ų4735 Ų3522%0.2220%0.195CC..Hα-helixtrans-65.4-29.2-177.8-60.9-70110.500112.9L854 I857 T858 Q896 L897 S902 V903 V904L854-E900 HydrophobicContact CD1-CG 4.45Å; I857-E900 HydrophobicContact CG2-CB 3.99Å; I857-E900 HydrophobicContact CG2-CG 4.49Å; T858-E900 VanDerWaalsContact CA-OE2 3.28Å; T858-E900 WeakPolarHBondContact CA-OE2 3.34Å; T858-E900 VanDerWaalsContact CB-OE2 3.3Å; T858-E900 WeakPolarHBondContact CB-OE2 3.46Å; T858-E900 WeakPolarHBondContact CG2-OE2 3.49Å; T858-E900 VanDerWaalsContact OG1-CD 3.3Å; T858-E900 PolarHBondContact OG1-OE2 3.01Å; Q896-E900 WeakPolarHBondContact O-CG 3.45Å; Q896-E900 PolarHBondContact O-N 3.42Å; L897-E900 PolarHBondContact O-N 3.21Å; E900-S902 PolarHBondContact O-N 3.48Å; E900-S902 VanDerWaalsContact O-N 3.11Å; E900-V903 PolarHBondContact O-N 3.19Å; E900-V904 WeakPolarHBondContact O-CG2 3.42Å; E900-V904 PolarHBondContact O-N 3.45Å
901L91.8Very high92.6Very high2 Ų238.2 Ų38.21%0.0121%0.209CC..Hα-helixtrans-52.5-38-177.8-67.2-170.1000113.2L897 L898 N899 V903 V904 E905 L923 C924 I927 V955L897-L901 WeakPolarHBondContact O-CG 3.44Å; L897-L901 PolarHBondContact O-N 2.91Å; L898-L901 HydrophobicContact CD1-CD1 4.17Å; L898-L901 PolarHBondContact O-N 3.2Å; N899-L901 VanDerWaalsContact C-N 3.31Å; N899-L901 PolarHBondContact O-N 2.8Å; L901-V903 VanDerWaalsContact C-N 3.28Å; L901-V903 PolarHBondContact O-N 2.79Å; L901-V904 PolarHBondContact O-N 3.27Å; L901-E905 WeakPolarHBondContact O-CB 3.33Å; L901-E905 PolarHBondContact O-N 2.96Å; L901-L923 HydrophobicContact CD2-CB 4.32Å; L901-L923 HydrophobicContact CD2-CD2 3.74Å; L901-L923 HydrophobicContact CD2-CG 4.02Å; L901-C924 HydrophobicContact CD1-CB 3.64Å; L901-I927 HydrophobicContact CD1-CD1 4.18Å; L901-V955 HydrophobicContact CB-CG2 4.43Å; L901-V955 HydrophobicContact CD1-CG2 4.26Å
902S87.5Confident92.2Very high69 Ų6943.1 Ų43.148%0.48324%0.243SC..Hα-helixtrans-64.1-33.1-179.666.20000113N899 E900N899-S902 PolarHBondContact O-OG 3.49Å; E900-S902 PolarHBondContact O-N 3.48Å; E900-S902 VanDerWaalsContact O-N 3.11Å
903V91Very high91.8Very high67 Ų6743.6 Ų43.641%0.40625%0.249SC..Hα-helixtrans-84.4-41.4178.2-171.20000110.4A861 E900 L901 E905 A906 E907A861-V903 HydrophobicContact CB-CB 4.12Å; A861-V903 HydrophobicContact CB-CG1 3.88Å; A861-V903 WeakPolarHBondContact O-CG1 3.36Å; E900-V903 PolarHBondContact O-N 3.19Å; L901-V903 VanDerWaalsContact C-N 3.28Å; L901-V903 PolarHBondContact O-N 2.79Å; V903-E905 VanDerWaalsContact C-N 3.29Å; V903-E905 PolarHBondContact O-N 3.24Å; V903-A906 PolarHBondContact O-N 3.43Å; V903-A906 VanDerWaalsContact O-N 3.12Å; V903-E907 PolarHBondContact O-N 3.02Å
904V91.9Very high91.1Very high0 Ų051.1 Ų51.10%029%0.289CS..Hα-helixtrans-57.5-41.81741740000111.2I857 F860 A861 L868 E900 L901 E907 L908 Y919 T920I857-V904 HydrophobicContact CG2-CG2 3.92Å; F860-V904 HydrophobicContact CD1-CG1 4.16Å; F860-V904 HydrophobicContact CD1-CG2 4.5Å; F860-V904 HydrophobicContact CE1-CG1 4.22Å; A861-V904 HydrophobicContact CB-CG2 4.03Å; L868-V904 HydrophobicContact CD1-CG1 4.07Å; L868-V904 HydrophobicContact CD2-CG1 4.05Å; E900-V904 WeakPolarHBondContact O-CG2 3.42Å; E900-V904 PolarHBondContact O-N 3.45Å; L901-V904 PolarHBondContact O-N 3.27Å; V904-E907 PolarHBondContact O-N 3.27Å; V904-L908 HydrophobicContact CG1-CD1 3.96Å; V904-L908 HydrophobicContact CG1-CG 4.33Å; V904-L908 WeakPolarHBondContact O-CB 3.31Å; V904-L908 VanDerWaalsContact O-CG 3.29Å; V904-L908 WeakPolarHBondContact O-CG 3.31Å; V904-L908 PolarHBondContact O-N 2.9Å; V904-Y919 HydrophobicContact CG1-CD1 4.38Å; V904-Y919 HydrophobicContact CG1-CE1 4.32Å; V904-T920 HydrophobicContact CB-CG2 4.44Å; V904-T920 HydrophobicContact CG1-CG2 4.04Å
905E89.3Confident90.5Very high28 Ų2855 Ų5513%0.13131%0.31CS..Hα-helixtrans-62.5-41.8175.5-175.362.7-169.500112.2L901 V903 L909 G917 T920L901-E905 WeakPolarHBondContact O-CB 3.33Å; L901-E905 PolarHBondContact O-N 2.96Å; V903-E905 VanDerWaalsContact C-N 3.29Å; V903-E905 PolarHBondContact O-N 3.24Å; E905-L909 WeakPolarHBondContact O-CB 3.28Å; E905-L909 PolarHBondContact O-N 3.28Å; E905-G917 PolarHBondContact OE1-N 3.23Å; E905-G917 PolarHBondContact OE2-N 3.41Å; E905-T920 HydrophobicContact CB-CG2 4.05Å; E905-T920 WeakPolarHBondContact OE2-CB 3.28Å; E905-T920 VanDerWaalsContact OE2-CG2 3.27Å; E905-T920 WeakPolarHBondContact OE2-CG2 3.49Å; E905-T920 PolarHBondContact OE2-OG1 3.09Å
906A90Very high89.9Confident55 Ų5557 Ų5746%0.45532%0.322SS..Hα-helixtrans-67-38.8177.900000112V903 L909 L910V903-A906 PolarHBondContact O-N 3.43Å; V903-A906 VanDerWaalsContact O-N 3.12Å; A906-L909 PolarHBondContact O-N 3.16Å; A906-L910 WeakPolarHBondContact O-CB 3.48Å; A906-L910 PolarHBondContact O-N 3.22Å
907E92.2Very high89.1Confident32 Ų3254.4 Ų54.415%0.1532%0.318CS..Hα-helixtrans-74.6-36.5178.6-173.363.1-168.900112.2F860 V903 V904 L909 L910 K911F860-E907 HydrophobicContact CD1-CG 4.39Å; F860-E907 HydrophobicContact CE1-CB 4.11Å; F860-E907 HydrophobicContact CE1-CG 3.94Å; F860-E907 HydrophobicContact CZ-CG 4.41Å; V903-E907 PolarHBondContact O-N 3.02Å; V904-E907 PolarHBondContact O-N 3.27Å; E907-L909 VanDerWaalsContact C-N 3.31Å; E907-L909 PolarHBondContact O-N 2.98Å; E907-L910 PolarHBondContact O-N 3.05Å; E907-L910 WeakPolarHBondContact OE2-CD2 3.27Å; E907-K911 WeakPolarHBondContact O-CB 3.43Å; E907-K911 WeakPolarHBondContact O-CG 3.49Å; E907-K911 PolarHBondContact O-N 3.37Å; E907-K911 WeakPolarHBondContact OE1-CE 3.31Å; E907-K911 IonicContact OE1-NZ 3.23Å; E907-K911 PolarHBondContact OE1-NZ 2.84Å
908L90.4Very high88.4Confident3 Ų357 Ų572%0.01634%0.337CS..Hα-helixtrans-60.5-41.2170-78.3172000111.7F860 L868 V904 K911 S912 S913 L915 V916 Y919 T920F860-L908 HydrophobicContact CE1-CD2 4.09Å; F860-L908 HydrophobicContact CE1-CG 3.98Å; F860-L908 HydrophobicContact CZ-CD2 3.73Å; F860-L908 HydrophobicContact CZ-CG 4.12Å; L868-L908 HydrophobicContact CD1-CD1 4.27Å; L868-L908 HydrophobicContact CD1-CD2 4.03Å; L868-L908 HydrophobicContact CD1-CG 4.38Å; V904-L908 HydrophobicContact CG1-CD1 3.96Å; V904-L908 HydrophobicContact CG1-CG 4.33Å; V904-L908 WeakPolarHBondContact O-CB 3.31Å; V904-L908 VanDerWaalsContact O-CG 3.29Å; V904-L908 WeakPolarHBondContact O-CG 3.31Å; V904-L908 PolarHBondContact O-N 2.9Å; L908-K911 CarbonylContact O-C 3.6Å; L908-K911 PolarHBondContact O-N 3.14Å; L908-S912 PolarHBondContact O-N 2.99Å; L908-S912 VanDerWaalsContact O-N 3.09Å; L908-S913 PolarHBondContact O-N 3.46Å; L908-S913 VanDerWaalsContact O-N 3.1Å; L908-L915 HydrophobicContact CD1-CB 4.36Å; L908-L915 HydrophobicContact CD2-CB 4.03Å; L908-V916 VanDerWaalsContact C-CG2 3.43Å; L908-V916 HydrophobicContact CB-CG2 3.78Å; L908-V916 WeakPolarHBondContact O-CG2 3.34Å; L908-Y919 HydrophobicContact CD1-CD1 4.37Å; L908-T920 HydrophobicContact CD1-CG2 4.17Å
909L88.9Confident88.1Confident111 Ų11157.8 Ų57.858%0.58134%0.34SS*.Hα-helixtrans-66.4-42.8175.7-172.970.3000111.4E905 A906 E907 K911 S912 V916E905-L909 WeakPolarHBondContact O-CB 3.28Å; E905-L909 PolarHBondContact O-N 3.28Å; A906-L909 PolarHBondContact O-N 3.16Å; E907-L909 VanDerWaalsContact C-N 3.31Å; E907-L909 PolarHBondContact O-N 2.98Å; L909-K911 VanDerWaalsContact C-N 3.33Å; L909-K911 PolarHBondContact O-N 3.25Å; L909-S912 PolarHBondContact O-N 3.38Å; L909-S912 VanDerWaalsContact O-N 3.09Å; L909-V916 HydrophobicContact CB-CG2 4.27Å; L909-V916 HydrophobicContact CD1-CG1 4.14Å; L909-V916 HydrophobicContact CD1-CG2 4.42Å
910L91.4Very high88Confident134 Ų13455.4 Ų55.470%0.70233%0.327SS*.Hα-helixtrans-62.4-38.6175.6-174.563.4000112.1A906 E907 S912A906-L910 WeakPolarHBondContact O-CB 3.48Å; A906-L910 PolarHBondContact O-N 3.22Å; E907-L910 PolarHBondContact O-N 3.05Å; E907-L910 WeakPolarHBondContact OE2-CD2 3.27Å; L910-S912 VanDerWaalsContact C-N 3.27Å; L910-S912 PolarHBondContact O-N 3.34Å
911K89.8Confident87.8Confident66 Ų6654.1 Ų54.129%0.28732%0.323SS..THydrogen-bonded Turntrans-78.9-2.4174.5-64.8-170.8-157.8-54.40114.1F860 Y866 E907 L908 L909 S913F860-K911 HydrophobicContact CE2-CD 4.33Å; F860-K911 HydrophobicContact CZ-CD 4.16Å; Y866-K911 HydrophobicContact CD1-CD 4.33Å; Y866-K911 HydrophobicContact CE1-CD 4.44Å; E907-K911 WeakPolarHBondContact O-CB 3.43Å; E907-K911 WeakPolarHBondContact O-CG 3.49Å; E907-K911 PolarHBondContact O-N 3.37Å; E907-K911 WeakPolarHBondContact OE1-CE 3.31Å; E907-K911 IonicContact OE1-NZ 3.23Å; E907-K911 PolarHBondContact OE1-NZ 2.84Å; L908-K911 CarbonylContact O-C 3.6Å; L908-K911 PolarHBondContact O-N 3.14Å; L909-K911 VanDerWaalsContact C-N 3.33Å; L909-K911 PolarHBondContact O-N 3.25Å; K911-S913 PolarHBondContact O-N 2.91Å
912S87Confident87.7Confident106 Ų10656.8 Ų56.874%0.74134%0.341SS*.THydrogen-bonded Turntrans54.145.3-178.4-56.60000113.9L908 L909 L910L908-S912 PolarHBondContact O-N 2.99Å; L908-S912 VanDerWaalsContact O-N 3.09Å; L909-S912 PolarHBondContact O-N 3.38Å; L909-S912 VanDerWaalsContact O-N 3.09Å; L910-S912 VanDerWaalsContact C-N 3.27Å; L910-S912 PolarHBondContact O-N 3.34Å
913S86.1Confident87.9Confident41 Ų4153.5 Ų53.529%0.28732%0.318SS..  trans-87.6142.8-177.6-176.60000113.2L908 K911 L915 V916L908-S913 PolarHBondContact O-N 3.46Å; L908-S913 VanDerWaalsContact O-N 3.1Å; K911-S913 PolarHBondContact O-N 2.91Å; S913-L915 PolarHBondContact O-N 2.94Å; S913-L915 PolarHBondContact OG-N 2.7Å; S913-V916 WeakPolarHBondContact O-CB 3.27Å; S913-V916 WeakPolarHBondContact O-CG2 3.35Å; S913-V916 PolarHBondContact O-N 2.93Å; S913-V916 VanDerWaalsContact O-N 3.12Å
914D82.5Confident88.1Confident162 Ų16250.3 Ų50.387%0.86630%0.299SS*.THydrogen-bonded Turntrans-63.6-8.9170.6-55.6-62.6000113.8V916 S918D914-V916 VanDerWaalsContact C-N 3.32Å; D914-S918 PolarHBondContact O-OG 3.44Å
915L83.6Confident88.1Confident81 Ų8150.7 Ų50.742%0.42430%0.301SS..THydrogen-bonded Turntrans-80.6-6.8174.1-62.1179.4000114L908 S913 G917 S918 Y919L908-L915 HydrophobicContact CD1-CB 4.36Å; L908-L915 HydrophobicContact CD2-CB 4.03Å; S913-L915 PolarHBondContact O-N 2.94Å; S913-L915 PolarHBondContact OG-N 2.7Å; L915-G917 PolarHBondContact O-N 2.67Å; L915-S918 WeakPolarHBondContact CA-OG 3.09Å; L915-S918 PolarHBondContact O-N 2.91Å; L915-S918 PolarHBondContact O-OG 3.41Å; L915-Y919 WeakPolarHBondContact O-CB 3.49Å; L915-Y919 PolarHBondContact O-N 2.97Å
916V82.7Confident88.4Confident48 Ų4849.7 Ų49.729%0.29130%0.297SS..THydrogen-bonded Turntrans-55.6130.6175.4166.70000110.5L908 L909 S913 D914 S918L908-V916 VanDerWaalsContact C-CG2 3.43Å; L908-V916 HydrophobicContact CB-CG2 3.78Å; L908-V916 WeakPolarHBondContact O-CG2 3.34Å; L909-V916 HydrophobicContact CB-CG2 4.27Å; L909-V916 HydrophobicContact CD1-CG1 4.14Å; L909-V916 HydrophobicContact CD1-CG2 4.42Å; S913-V916 WeakPolarHBondContact O-CB 3.27Å; S913-V916 WeakPolarHBondContact O-CG2 3.35Å; S913-V916 PolarHBondContact O-N 2.93Å; S913-V916 VanDerWaalsContact O-N 3.12Å; D914-V916 VanDerWaalsContact C-N 3.32Å; V916-S918 PolarHBondContact O-N 3.21Å
917G79.4Confident88.7Confident32 Ų3247.1 Ų47.133%0.3328%0.275SS..THydrogen-bonded Turntrans67.7-23.4-178.300000116.1E905 L915 T921E905-G917 PolarHBondContact OE1-N 3.23Å; E905-G917 PolarHBondContact OE2-N 3.41Å; L915-G917 PolarHBondContact O-N 2.67Å; G917-T921 WeakPolarHBondContact O-CB 3.29Å; G917-T921 PolarHBondContact O-OG1 3.18Å
918S81.7Confident88.8Confident55 Ų5545.6 Ų45.639%0.38527%0.268SS..Hα-helixtrans-88.6-48.3-178.760.70000112.4D914 L915 V916 S922D914-S918 PolarHBondContact O-OG 3.44Å; L915-S918 WeakPolarHBondContact CA-OG 3.09Å; L915-S918 PolarHBondContact O-N 2.91Å; L915-S918 PolarHBondContact O-OG 3.41Å; V916-S918 PolarHBondContact O-N 3.21Å; S918-S922 VanDerWaalsContact O-CB 3.29Å; S918-S922 WeakPolarHBondContact O-CB 3.36Å; S918-S922 PolarHBondContact O-N 2.94Å; S918-S922 VanDerWaalsContact O-N 3.1Å; S918-S922 PolarHBondContact O-OG 2.78Å
919Y89.2Confident89Confident20 Ų2045.4 Ų45.48%0.07827%0.268CS..Hα-helixtrans-66.4-50.3-179.7175-93.6000112.2L868 P869 V871 V904 L908 L915 S922 L923L868-Y919 HydrophobicContact CB-CE1 4.47Å; L868-Y919 HydrophobicContact CB-CE2 4.27Å; L868-Y919 HydrophobicContact CD1-CD1 3.96Å; L868-Y919 HydrophobicContact CD1-CE1 3.81Å; L868-Y919 HydrophobicContact CD1-CG 4.41Å; L868-Y919 HydrophobicContact CD2-CE1 4.11Å; L868-Y919 HydrophobicContact CG-CE1 4.36Å; P869-Y919 VanDerWaalsContact O-CE2 3.28Å; P869-Y919 WeakPolarHBondContact O-CE2 3.29Å; P869-Y919 PolarHBondContact O-OH 3.08Å; V871-Y919 HydrophobicContact CG2-CD2 3.92Å; V871-Y919 HydrophobicContact CG2-CE2 3.8Å; V904-Y919 HydrophobicContact CG1-CD1 4.38Å; V904-Y919 HydrophobicContact CG1-CE1 4.32Å; L908-Y919 HydrophobicContact CD1-CD1 4.37Å; L915-Y919 WeakPolarHBondContact O-CB 3.49Å; L915-Y919 PolarHBondContact O-N 2.97Å; Y919-S922 PolarHBondContact O-N 2.85Å; Y919-L923 HydrophobicContact CE1-CD2 4.02Å; Y919-L923 WeakPolarHBondContact O-CB 3.47Å; Y919-L923 PolarHBondContact O-N 3.47Å
920T89.6Confident89.2Confident5 Ų540.2 Ų40.23%0.03124%0.24CC..Hα-helixtrans-65.9-42.1-175.648.80000111.7V904 E905 L908 L923 C924V904-T920 HydrophobicContact CB-CG2 4.44Å; V904-T920 HydrophobicContact CG1-CG2 4.04Å; E905-T920 HydrophobicContact CB-CG2 4.05Å; E905-T920 WeakPolarHBondContact OE2-CB 3.28Å; E905-T920 VanDerWaalsContact OE2-CG2 3.27Å; E905-T920 WeakPolarHBondContact OE2-CG2 3.49Å; E905-T920 PolarHBondContact OE2-OG1 3.09Å; L908-T920 HydrophobicContact CD1-CG2 4.17Å; T920-L923 PolarHBondContact O-N 2.91Å; T920-C924 WeakPolarHBondContact O-CB 3.18Å; T920-C924 PolarHBondContact O-N 3.18Å
921T87.9Confident89.4Confident20 Ų2033.8 Ų33.812%0.12321%0.207CC..Hα-helixtrans-66.4-39.4174.9-570000112.1G917 C924 L925 A968 E969 I972G917-T921 WeakPolarHBondContact O-CB 3.29Å; G917-T921 PolarHBondContact O-OG1 3.18Å; T921-C924 PolarHBondContact O-N 3.37Å; T921-L925 PolarHBondContact O-N 2.91Å; T921-A968 HydrophobicContact CG2-CB 3.58Å; T921-E969 HydrophobicContact CG2-CG 4.07Å; T921-I972 HydrophobicContact CG2-CD1 4.3Å
922S88.8Confident89.6Confident57 Ų5731 Ų3140%0.39920%0.195SC..Hα-helixtrans-65.2-42.8175.6-59.80000112.3S918 Y919 L925 C926S918-S922 VanDerWaalsContact O-CB 3.29Å; S918-S922 WeakPolarHBondContact O-CB 3.36Å; S918-S922 PolarHBondContact O-N 2.94Å; S918-S922 VanDerWaalsContact O-N 3.1Å; S918-S922 PolarHBondContact O-OG 2.78Å; Y919-S922 PolarHBondContact O-N 2.85Å; S922-L925 WeakPolarHBondContact O-CB 3.23Å; S922-L925 PolarHBondContact O-N 3.43Å; S922-C926 PolarHBondContact O-N 3.5Å
923L93Very high89.8Confident1 Ų128 Ų281%0.00517%0.169CC..Hα-helixtrans-69.8-37.3175.7-178.753.3000111.9I857 V871 V874 L901 Y919 T920 L925 C926 I927I857-L923 HydrophobicContact CD1-CD2 4.36Å; V871-L923 HydrophobicContact CG2-CB 4.38Å; V874-L923 HydrophobicContact CB-CD1 4.02Å; V874-L923 HydrophobicContact CG1-CD1 3.92Å; V874-L923 HydrophobicContact CG2-CD1 4.16Å; L901-L923 HydrophobicContact CD2-CB 4.32Å; L901-L923 HydrophobicContact CD2-CD2 3.74Å; L901-L923 HydrophobicContact CD2-CG 4.02Å; Y919-L923 HydrophobicContact CE1-CD2 4.02Å; Y919-L923 WeakPolarHBondContact O-CB 3.47Å; Y919-L923 PolarHBondContact O-N 3.47Å; T920-L923 PolarHBondContact O-N 2.91Å; L923-L925 VanDerWaalsContact C-N 3.29Å; L923-L925 PolarHBondContact O-N 2.95Å; L923-C926 PolarHBondContact O-N 3.32Å; L923-I927 HydrophobicContact CD1-CD1 4.47Å; L923-I927 HydrophobicContact CG-CD1 4.2Å; L923-I927 WeakPolarHBondContact O-CG1 3.43Å; L923-I927 PolarHBondContact O-N 3.33Å
924C94Very high90.1Very high0 Ų026.6 Ų26.60%016%0.157CC..Hα-helixtrans-60.6-37.9172.4-166.80000111.6L901 T920 T921 I927 V928 L952 V955 I972L901-C924 HydrophobicContact CD1-CB 3.64Å; T920-C924 WeakPolarHBondContact O-CB 3.18Å; T920-C924 PolarHBondContact O-N 3.18Å; T921-C924 PolarHBondContact O-N 3.37Å; C924-I927 PolarHBondContact O-N 3.47Å; C924-V928 WeakPolarHBondContact O-CB 3.33Å; C924-V928 WeakPolarHBondContact O-CG2 3.42Å; C924-V928 PolarHBondContact O-N 2.92Å; C924-L952 VanDerWaalsContact SG-CD2 3.6Å; C924-V955 HydrophobicContact CB-CG1 4.46Å; C924-I972 HydrophobicContact CB-CD1 3.92Å
925L92.6Very high90.6Very high7 Ų719.1 Ų19.14%0.03712%0.117CC..Hα-helixtrans-61.5-45.9174.3-175.961.6000112.1T921 S922 L923 I927 V928 A929 A968 C971 L1208T921-L925 PolarHBondContact O-N 2.91Å; S922-L925 WeakPolarHBondContact O-CB 3.23Å; S922-L925 PolarHBondContact O-N 3.43Å; L923-L925 VanDerWaalsContact C-N 3.29Å; L923-L925 PolarHBondContact O-N 2.95Å; L925-I927 VanDerWaalsContact C-N 3.31Å; L925-I927 PolarHBondContact O-N 3.43Å; L925-V928 PolarHBondContact O-N 3.31Å; L925-A929 VanDerWaalsContact O-CB 3.31Å; L925-A929 WeakPolarHBondContact O-CB 3.44Å; L925-A929 PolarHBondContact O-N 2.79Å; L925-A968 HydrophobicContact CB-CB 4.06Å; L925-A968 HydrophobicContact CD1-CB 4.42Å; L925-A968 HydrophobicContact CD2-CB 3.92Å; L925-A968 HydrophobicContact CG-CB 4.35Å; L925-C971 HydrophobicContact CD1-CB 3.33Å; L925-L1208 HydrophobicContact CD1-CD1 3.92Å; L925-L1208 HydrophobicContact CG-CD1 4.39Å
926C94.8Very high91Very high8 Ų816.2 Ų16.25%0.05410%0.104CC..Hα-helixtrans-61.3-39.5175.8-63.30000112.2F878 S922 L923 A929 V930F878-C926 HydrophobicContact CE2-CB 4.05Å; S922-C926 PolarHBondContact O-N 3.5Å; L923-C926 PolarHBondContact O-N 3.32Å; C926-A929 PolarHBondContact O-N 2.67Å; C926-V930 PolarHBondContact O-N 3.44Å
927I96.1Very high91.5Very high0 Ų014.1 Ų14.10%09%0.092CC..Hα-helixtrans-64.4-48.3174.8-72.3163.8000111F878 A894 L897 L898 L901 L923 C924 L925 A929 V930 L931F878-I927 HydrophobicContact CE2-CG1 4.35Å; F878-I927 HydrophobicContact CZ-CG1 4.01Å; A894-I927 HydrophobicContact CB-CG2 4.36Å; L897-I927 HydrophobicContact CB-CD1 3.73Å; L898-I927 HydrophobicContact CB-CD1 4.48Å; L898-I927 HydrophobicContact CB-CG2 4.27Å; L901-I927 HydrophobicContact CD1-CD1 4.18Å; L923-I927 HydrophobicContact CD1-CD1 4.47Å; L923-I927 HydrophobicContact CG-CD1 4.2Å; L923-I927 WeakPolarHBondContact O-CG1 3.43Å; L923-I927 PolarHBondContact O-N 3.33Å; C924-I927 PolarHBondContact O-N 3.47Å; L925-I927 VanDerWaalsContact C-N 3.31Å; L925-I927 PolarHBondContact O-N 3.43Å; I927-A929 VanDerWaalsContact C-N 3.3Å; I927-A929 PolarHBondContact O-N 2.85Å; I927-V930 PolarHBondContact O-N 3.3Å; I927-L931 HydrophobicContact CG2-CD1 3.63Å; I927-L931 HydrophobicContact CG2-CG 4.3Å; I927-L931 WeakPolarHBondContact O-CB 3.48Å; I927-L931 VanDerWaalsContact O-CG 3.3Å; I927-L931 WeakPolarHBondContact O-CG 3.5Å; I927-L931 PolarHBondContact O-N 3.43Å
928V95.3Very high92.2Very high0 Ų012.6 Ų12.60%08%0.076CC..Hα-helixtrans-61.4-39.1177.6163.60000111.5C924 L925 R932 L952 I972 Y975C924-V928 WeakPolarHBondContact O-CB 3.33Å; C924-V928 WeakPolarHBondContact O-CG2 3.42Å; C924-V928 PolarHBondContact O-N 2.92Å; L925-V928 PolarHBondContact O-N 3.31Å; V928-R932 WeakPolarHBondContact O-CB 3.42Å; V928-R932 PolarHBondContact O-N 2.95Å; V928-L952 HydrophobicContact CG2-CD1 4.14Å; V928-L952 HydrophobicContact CG2-CD2 3.44Å; V928-L952 VanDerWaalsContact CG2-CD2 3.44Å; V928-L952 HydrophobicContact CG2-CG 4.46Å; V928-I972 HydrophobicContact CG2-CB 4.46Å; V928-I972 HydrophobicContact CG2-CG1 3.94Å; V928-Y975 HydrophobicContact CB-CD1 4.35Å; V928-Y975 HydrophobicContact CG1-CD1 3.85Å; V928-Y975 HydrophobicContact CG1-CG 4.02Å; V928-Y975 HydrophobicContact CG2-CD1 4.11Å
929A94.4Very high92.6Very high0 Ų010.7 Ų10.70%06%0.061CC..Hα-helixtrans-58.4-53.4177.100000111.7L925 C926 I927 R932 H933 C1204 H1207 L1208L925-A929 VanDerWaalsContact O-CB 3.31Å; L925-A929 WeakPolarHBondContact O-CB 3.44Å; L925-A929 PolarHBondContact O-N 2.79Å; C926-A929 PolarHBondContact O-N 2.67Å; I927-A929 VanDerWaalsContact C-N 3.3Å; I927-A929 PolarHBondContact O-N 2.85Å; A929-R932 PolarHBondContact O-N 3.46Å; A929-H933 WeakPolarHBondContact O-CB 3.47Å; A929-H933 PolarHBondContact O-N 3.07Å; A929-C1204 HydrophobicContact CB-CB 4.22Å; A929-C1204 WeakPolarHBondContact CB-O 3.23Å; A929-C1204 VanDerWaalsContact CB-SG 3.57Å; A929-H1207 HydrophobicContact CB-CB 3.94Å; A929-L1208 HydrophobicContact CB-CD1 4.34Å; A929-L1208 HydrophobicContact CB-CD2 4.13Å; A929-L1208 HydrophobicContact CB-CG 3.73Å
930V94Very high92.7Very high1 Ų110.8 Ų10.81%0.0066%0.063CC..Hα-helixtrans-60.6-51.1176.8170.80000111.5F878 L890 C926 I927 R932 H933 Y934F878-V930 HydrophobicContact CB-CG2 4.19Å; F878-V930 HydrophobicContact CD2-CG2 3.68Å; F878-V930 HydrophobicContact CE2-CG2 4.24Å; F878-V930 HydrophobicContact CG-CG2 4.08Å; L890-V930 HydrophobicContact CD1-CG1 4Å; L890-V930 HydrophobicContact CD2-CG1 3.82Å; L890-V930 HydrophobicContact CG-CG1 3.69Å; C926-V930 PolarHBondContact O-N 3.44Å; I927-V930 PolarHBondContact O-N 3.3Å; V930-R932 VanDerWaalsContact C-N 3.32Å; V930-R932 PolarHBondContact O-N 3.06Å; V930-H933 PolarHBondContact O-N 3.12Å; V930-Y934 HydrophobicContact CG1-CD2 4.3Å; V930-Y934 PolarHBondContact O-N 3.39Å
931L95.5Very high92.7Very high0 Ų012.6 Ų12.60%07%0.073CC..Hα-helixtrans-64.7-34.8-177.7-68.2175.8000112.5I891 A894 I927 Y934 H935 V948 Y975I891-L931 HydrophobicContact CG2-CD2 4.15Å; A894-L931 HydrophobicContact CB-CD2 4.15Å; A894-L931 HydrophobicContact CB-CG 4.29Å; I927-L931 HydrophobicContact CG2-CD1 3.63Å; I927-L931 HydrophobicContact CG2-CG 4.3Å; I927-L931 WeakPolarHBondContact O-CB 3.48Å; I927-L931 VanDerWaalsContact O-CG 3.3Å; I927-L931 WeakPolarHBondContact O-CG 3.5Å; I927-L931 PolarHBondContact O-N 3.43Å; L931-Y934 CarbonylContact O-C 3.56Å; L931-Y934 VanDerWaalsContact O-C 3.27Å; L931-Y934 PolarHBondContact O-N 3.16Å; L931-H935 WeakPolarHBondContact O-CA 3.43Å; L931-H935 PolarHBondContact O-N 3.44Å; L931-V948 HydrophobicContact CD1-CG1 3.88Å; L931-V948 HydrophobicContact CD1-CG2 3.88Å; L931-Y975 VanDerWaalsContact C-OH 3.25Å; L931-Y975 HydrophobicContact CB-CE1 3.72Å; L931-Y975 PolarHBondContact O-OH 3.39Å
932R93.1Very high92.7Very high8 Ų814.7 Ų14.73%0.038%0.081CC..Hα-helixtrans-74.7-35.6177-164.4-175-177.7-1282112.1V928 A929 V930 Y934 H935 Y975 D978 Y1006 A1211 S1212V928-R932 WeakPolarHBondContact O-CB 3.42Å; V928-R932 PolarHBondContact O-N 2.95Å; A929-R932 PolarHBondContact O-N 3.46Å; V930-R932 VanDerWaalsContact C-N 3.32Å; V930-R932 PolarHBondContact O-N 3.06Å; R932-Y934 VanDerWaalsContact C-N 3.34Å; R932-H935 WeakPolarHBondContact O-CB 3.29Å; R932-H935 PolarHBondContact O-N 2.72Å; R932-Y975 HydrophobicContact CB-CD1 4.49Å; R932-Y975 HydrophobicContact CB-CD2 3.66Å; R932-Y975 HydrophobicContact CB-CE2 3.72Å; R932-Y975 HydrophobicContact CB-CG 4.06Å; R932-Y975 HydrophobicContact CG-CD2 3.45Å; R932-Y975 VanDerWaalsContact CG-CD2 3.45Å; R932-Y975 HydrophobicContact CG-CE2 3.77Å; R932-Y975 HydrophobicContact CG-CG 4.14Å; R932-D978 IonicContact CZ-OD2 2.71Å; R932-D978 IonicContact NE-OD2 3.63Å; R932-D978 PolarHBondContact NE-OD2 3.37Å; R932-D978 IonicContact NH2-OD2 3.89Å; R932-D978 PolarHBondContact NH2-OD2 3.25Å; R932-Y1006 PolarHBondContact NH2-OH 3.26Å; R932-A1211 HydrophobicContact CB-CB 4.03Å; R932-A1211 HydrophobicContact CG-CB 3.6Å; R932-S1212 PolarHBondContact NH1-OG 3.47Å
933H90.7Very high92.7Very high43 Ų4317.4 Ų17.420%0.1999%0.091CC..Hα-helixtrans-62.4-43.6169.5-176.852.6000111E882 A929 V930 H935 H1207 A1210E882-H933 IonicContact OE1-NE2 2.67Å; A929-H933 WeakPolarHBondContact O-CB 3.47Å; A929-H933 PolarHBondContact O-N 3.07Å; V930-H933 PolarHBondContact O-N 3.12Å; H933-H935 VanDerWaalsContact C-N 3.34Å; H933-H935 PolarHBondContact O-N 2.87Å; H933-H1207 HydrophobicContact CB-CB 4.07Å; H933-H1207 AromaticContact CD2-CD2 3.85Å; H933-A1210 WeakPolarHBondContact ND1-CB 3.37Å
934Y92.5Very high92.7Very high10 Ų1019.1 Ų19.14%0.03910%0.099CC..THydrogen-bonded Turntrans-91.525.1178.7-75-72.2000115R520 E882 I887 L890 V930 L931 R932 A936 C937 L938R520-Y934 HydrophobicContact CB-CE1 4.36Å; R520-Y934 WeakPolarHBondContact CD-OH 3.29Å; R520-Y934 PolarHBondContact NH1-OH 2.82Å; E882-Y934 HydrophobicContact CG-CE2 4.46Å; E882-Y934 WeakPolarHBondContact CG-OH 3.36Å; E882-Y934 PolarHBondContact OE1-OH 3.2Å; I887-Y934 HydrophobicContact CB-CE1 4.4Å; I887-Y934 HydrophobicContact CD1-CE1 3.85Å; I887-Y934 HydrophobicContact CG1-CE1 3.99Å; I887-Y934 HydrophobicContact CG2-CD1 3.53Å; I887-Y934 HydrophobicContact CG2-CE1 3.51Å; I887-Y934 HydrophobicContact CG2-CG 4.14Å; L890-Y934 HydrophobicContact CD2-CE2 4.23Å; V930-Y934 HydrophobicContact CG1-CD2 4.3Å; V930-Y934 PolarHBondContact O-N 3.39Å; L931-Y934 CarbonylContact O-C 3.56Å; L931-Y934 VanDerWaalsContact O-C 3.27Å; L931-Y934 PolarHBondContact O-N 3.16Å; R932-Y934 VanDerWaalsContact C-N 3.34Å; Y934-A936 PolarHBondContact O-N 3.38Å; Y934-C937 HydrophobicContact CD1-CB 4.49Å; Y934-C937 WeakPolarHBondContact O-CA 3.46Å; Y934-C937 WeakPolarHBondContact O-CB 3.36Å; Y934-C937 PolarHBondContact O-N 3.32Å; Y934-L938 PolarHBondContact O-N 3.26Å
935H93Very high92.7Very high6 Ų619.2 Ų19.23%0.02810%0.1CC..Hα-helixtrans-55.5-38.3-178.4175.491.8000112.9E470 L931 R932 H933 C937 L938 I939 Y975 S982 R1215E470-H935 PolarHBondContact O-NE2 2.89Å; L931-H935 WeakPolarHBondContact O-CA 3.43Å; L931-H935 PolarHBondContact O-N 3.44Å; R932-H935 WeakPolarHBondContact O-CB 3.29Å; R932-H935 PolarHBondContact O-N 2.72Å; H933-H935 VanDerWaalsContact C-N 3.34Å; H933-H935 PolarHBondContact O-N 2.87Å; H935-C937 VanDerWaalsContact C-N 3.26Å; H935-C937 PolarHBondContact O-N 3.29Å; H935-L938 PolarHBondContact O-N 3.07Å; H935-I939 PolarHBondContact O-N 3.27Å; H935-I939 VanDerWaalsContact O-N 3.1Å; H935-Y975 AromaticContact ND1-CE2 3.84Å; H935-S982 PolarHBondContact NE2-OG 3.12Å; H935-R1215 PolarHBondContact CD2-NH2 2.65Å; H935-R1215 PolarHBondContact CE1-NH2 3.25Å; H935-R1215 PolarHBondContact ND1-NH2 2.93Å; H935-R1215 PolarHBondContact NE2-NH2 2.92Å
936A91.7Very high92.6Very high19 Ų1918.9 Ų18.916%0.15710%0.098CC..Hα-helixtrans-71-15.9177.500000114.4F469 H521 Y934F469-A936 HydrophobicContact CB-CB 4.48Å; F469-A936 WeakPolarHBondContact O-CA 3.27Å; F469-A936 WeakPolarHBondContact O-CB 3.27Å; H521-A936 HydrophobicContact CB-CB 3.99Å; H521-A936 WeakPolarHBondContact CB-O 3.46Å; Y934-A936 PolarHBondContact O-N 3.38Å
937C93.8Very high92.6Very high4 Ų422.2 Ų22.23%0.02711%0.113CC..Hα-helixtrans-87.7-47.3170.3-64.30000110.8H521 M524 I891 Y934 H935 I939 L940H521-C937 VanDerWaalsContact CA-SG 3.55Å; M524-C937 HydrophobicContact CE-CB 4.06Å; M524-C937 HydrophobicContact SD-CB 3.57Å; M524-C937 VanDerWaalsContact SD-CB 3.57Å; M524-C937 VanDerWaalsContact SD-SG 3.61Å; I891-C937 HydrophobicContact CD1-CB 3.6Å; Y934-C937 HydrophobicContact CD1-CB 4.49Å; Y934-C937 WeakPolarHBondContact O-CA 3.46Å; Y934-C937 WeakPolarHBondContact O-CB 3.36Å; Y934-C937 PolarHBondContact O-N 3.32Å; H935-C937 VanDerWaalsContact C-N 3.26Å; H935-C937 PolarHBondContact O-N 3.29Å; C937-I939 PolarHBondContact O-N 3.11Å; C937-L940 WeakPolarHBondContact O-CB 3.49Å; C937-L940 WeakPolarHBondContact O-CG 3.35Å; C937-L940 PolarHBondContact O-N 3.31Å; C937-L940 VanDerWaalsContact O-N 3.15Å
938L93.7Very high92.5Very high1 Ų122.2 Ų22.21%0.00511%0.113CC..Hα-helixtrans-58.6-35.1-179.9-178.965.3000112.4I891 I895 Y934 H935 L940 N941 Q944 M945 V948 Y975 L979I891-L938 HydrophobicContact CG2-CD1 4.04Å; I895-L938 HydrophobicContact CD1-CD1 4.2Å; Y934-L938 PolarHBondContact O-N 3.26Å; H935-L938 PolarHBondContact O-N 3.07Å; L938-L940 PolarHBondContact O-N 3.45Å; L938-L940 VanDerWaalsContact O-N 3.13Å; L938-N941 PolarHBondContact O-N 3.02Å; L938-Q944 HydrophobicContact CD1-CB 4.02Å; L938-M945 HydrophobicContact CD2-CG 4.35Å; L938-M945 HydrophobicContact CG-CB 4.31Å; L938-M945 HydrophobicContact CG-CG 4.46Å; L938-V948 HydrophobicContact CD1-CG2 4.16Å; L938-V948 HydrophobicContact CD2-CB 4.35Å; L938-V948 HydrophobicContact CD2-CG1 4.3Å; L938-V948 HydrophobicContact CD2-CG2 4.08Å; L938-Y975 WeakPolarHBondContact CD2-OH 3.41Å; L938-L979 HydrophobicContact CD2-CD2 4.2Å
939I91.7Very high92.4Very high14 Ų1422.3 Ų22.37%0.07211%0.113CC..THydrogen-bonded Turntrans-67.2-11.8-179-162.5149.7000114.9F469 R471 H935 C937 N941 M945F469-I939 VanDerWaalsContact O-CG2 3.32Å; F469-I939 WeakPolarHBondContact O-CG2 3.41Å; R471-I939 VanDerWaalsContact C-CD1 3.49Å; H935-I939 PolarHBondContact O-N 3.27Å; H935-I939 VanDerWaalsContact O-N 3.1Å; C937-I939 PolarHBondContact O-N 3.11Å; I939-N941 PolarHBondContact O-N 2.97Å; I939-M945 HydrophobicContact CB-CE 3.63Å; I939-M945 HydrophobicContact CD1-CE 3.76Å; I939-M945 HydrophobicContact CG1-CE 3.45Å; I939-M945 VanDerWaalsContact CG1-CE 3.45Å
940L90.5Very high92.2Very high22 Ų2227.9 Ų27.912%0.11514%0.139CC..THydrogen-bonded Turntrans-80.2-0.5173.1-49.7175.6000113M524 V525 K528 C937 L938M524-L940 HydrophobicContact CB-CD1 3.6Å; V525-L940 HydrophobicContact CG2-CD1 3.76Å; V525-L940 HydrophobicContact CG2-CD2 3.74Å; V525-L940 HydrophobicContact CG2-CG 4.41Å; K528-L940 HydrophobicContact CD-CB 3.95Å; K528-L940 WeakPolarHBondContact CE-O 3.33Å; K528-L940 PolarHBondContact NZ-O 3.07Å; K528-L940 VanDerWaalsContact NZ-O 3.13Å; C937-L940 WeakPolarHBondContact O-CB 3.49Å; C937-L940 WeakPolarHBondContact O-CG 3.35Å; C937-L940 PolarHBondContact O-N 3.31Å; C937-L940 VanDerWaalsContact O-N 3.15Å; L938-L940 PolarHBondContact O-N 3.45Å; L938-L940 VanDerWaalsContact O-N 3.13Å
941N89.5Confident92Very high44 Ų4428.6 Ų28.624%0.23515%0.147CC..  trans-137.999.1175.5-168.6-21.4000110.6L938 I939 D943 Q944 M945L938-N941 PolarHBondContact O-N 3.02Å; I939-N941 PolarHBondContact O-N 2.97Å; N941-D943 VanDerWaalsContact C-N 3.33Å; N941-D943 PolarHBondContact O-N 3.31Å; N941-D943 PolarHBondContact OD1-N 3.34Å; N941-Q944 HydrophobicContact CB-CB 3.98Å; N941-Q944 HydrophobicContact CB-CG 4.33Å; N941-Q944 WeakPolarHBondContact ND2-CG 3.46Å; N941-Q944 PolarHBondContact ND2-OE1 2.92Å; N941-Q944 PolarHBondContact O-N 3.4Å; N941-Q944 PolarHBondContact OD1-N 2.94Å; N941-M945 PolarHBondContact O-N 3.19Å
942Q88.4Confident91.8Very high63 Ų6328.6 Ų28.629%0.29415%0.147SC..Hα-helixtrans-66.1-34.5-173.8-63.4-17838.800112.5M945 A946 H985Q942-M945 PolarHBondContact O-N 2.87Å; Q942-A946 WeakPolarHBondContact O-CB 3.31Å; Q942-A946 PolarHBondContact O-N 2.97Å; Q942-H985 PolarHBondContact OE1-ND1 3.38Å
943D89.4Confident91.5Very high115 Ų11529.4 Ų29.462%0.61515%0.154SC*.Hα-helixtrans-71.7-43.7179.4-64.1-63.7000111.6N941 M945 A946 Q947N941-D943 VanDerWaalsContact C-N 3.33Å; N941-D943 PolarHBondContact O-N 3.31Å; N941-D943 PolarHBondContact OD1-N 3.34Å; D943-M945 VanDerWaalsContact C-N 3.32Å; D943-M945 PolarHBondContact O-N 3.2Å; D943-A946 PolarHBondContact O-N 3.13Å; D943-Q947 WeakPolarHBondContact O-CB 3.39Å; D943-Q947 PolarHBondContact O-N 3.45Å
944Q93Very high91Very high37 Ų3729.2 Ų29.217%0.17316%0.163CC..Hα-helixtrans-60.8-40.4171.1-79.5-177-31.400112D892 I895 L938 N941 A946 Q947 V948D892-Q944 PolarHBondContact OD1-NE2 3Å; I895-Q944 HydrophobicContact CD1-CB 3.76Å; I895-Q944 HydrophobicContact CD1-CG 3.81Å; L938-Q944 HydrophobicContact CD1-CB 4.02Å; N941-Q944 HydrophobicContact CB-CB 3.98Å; N941-Q944 HydrophobicContact CB-CG 4.33Å; N941-Q944 WeakPolarHBondContact ND2-CG 3.46Å; N941-Q944 PolarHBondContact ND2-OE1 2.92Å; N941-Q944 PolarHBondContact O-N 3.4Å; N941-Q944 PolarHBondContact OD1-N 2.94Å; Q944-A946 VanDerWaalsContact C-N 3.35Å; Q944-A946 PolarHBondContact O-N 3.33Å; Q944-Q947 PolarHBondContact O-N 3.39Å; Q944-V948 WeakPolarHBondContact O-CG2 3.49Å; Q944-V948 PolarHBondContact O-N 3.4Å
945M92.1Very high90.5Very high1 Ų130.3 Ų30.31%0.00517%0.171CC..Hα-helixtrans-64-40.2174.4-166.2-164-69.200112L938 I939 N941 Q942 D943 Q947 V948 F949 L979 C983 L986L938-M945 HydrophobicContact CD2-CG 4.35Å; L938-M945 HydrophobicContact CG-CB 4.31Å; L938-M945 HydrophobicContact CG-CG 4.46Å; I939-M945 HydrophobicContact CB-CE 3.63Å; I939-M945 HydrophobicContact CD1-CE 3.76Å; I939-M945 HydrophobicContact CG1-CE 3.45Å; I939-M945 VanDerWaalsContact CG1-CE 3.45Å; N941-M945 PolarHBondContact O-N 3.19Å; Q942-M945 PolarHBondContact O-N 2.87Å; D943-M945 VanDerWaalsContact C-N 3.32Å; D943-M945 PolarHBondContact O-N 3.2Å; M945-Q947 VanDerWaalsContact C-N 3.33Å; M945-V948 PolarHBondContact O-N 3.45Å; M945-F949 WeakPolarHBondContact O-CB 3.36Å; M945-F949 PolarHBondContact O-N 3.05Å; M945-L979 HydrophobicContact CE-CD2 4.48Å; M945-L979 HydrophobicContact CG-CD2 3.77Å; M945-L979 HydrophobicContact SD-CD2 3.99Å; M945-C983 HydrophobicContact CE-CB 3.98Å; M945-C983 HydrophobicContact SD-CB 3.42Å; M945-C983 WeakPolarHBondContact SD-CB 3.3Å; M945-L986 HydrophobicContact CG-CD1 4.02Å; M945-L986 HydrophobicContact SD-CD1 3.48Å; M945-L986 WeakPolarHBondContact SD-CD1 3.02Å; M945-L986 HydrophobicContact SD-CG 3.92Å
946A92Very high89.8Confident1 Ų130.6 Ų30.61%0.00817%0.173CC..Hα-helixtrans-64.3-38.917600000111.9Q942 D943 Q944 F949 E950 L986 K989 F990Q942-A946 WeakPolarHBondContact O-CB 3.31Å; Q942-A946 PolarHBondContact O-N 2.97Å; D943-A946 PolarHBondContact O-N 3.13Å; Q944-A946 VanDerWaalsContact C-N 3.35Å; Q944-A946 PolarHBondContact O-N 3.33Å; A946-F949 PolarHBondContact O-N 3.23Å; A946-E950 WeakPolarHBondContact O-CB 3.49Å; A946-E950 PolarHBondContact O-N 2.75Å; A946-L986 HydrophobicContact CB-CD2 4.1Å; A946-K989 HydrophobicContact CB-CD 4.26Å; A946-F990 HydrophobicContact CB-CE2 4.34Å
947Q93.5Very high88.5Confident78 Ų7835.9 Ų35.936%0.36419%0.193SC..Hα-helixtrans-64.5-44.5174.3-173.817417.700112.2I895 N899 D943 Q944 M945 F949 E950 G951I895-Q947 HydrophobicContact CG2-CG 4.05Å; N899-Q947 PolarHBondContact ND2-NE2 3.23Å; N899-Q947 PolarHBondContact OD1-NE2 2.88Å; N899-Q947 VanDerWaalsContact OD1-NE2 3.15Å; D943-Q947 WeakPolarHBondContact O-CB 3.39Å; D943-Q947 PolarHBondContact O-N 3.45Å; Q944-Q947 PolarHBondContact O-N 3.39Å; M945-Q947 VanDerWaalsContact C-N 3.33Å; Q947-F949 VanDerWaalsContact C-N 3.34Å; Q947-F949 PolarHBondContact O-N 3.34Å; Q947-E950 PolarHBondContact O-N 3.14Å; Q947-G951 PolarHBondContact O-N 2.72Å
948V94.9Very high86.4Confident0 Ų042.6 Ų42.60%022%0.223CC..Hα-helixtrans-58.2-47.3172.51690000110.8I895 L898 L931 L938 Q944 M945 E950 G951 L952 Y975 L979I895-V948 HydrophobicContact CD1-CG2 3.99Å; I895-V948 HydrophobicContact CG1-CG2 3.61Å; L898-V948 HydrophobicContact CD2-CB 4.41Å; L898-V948 HydrophobicContact CD2-CG1 4.3Å; L898-V948 HydrophobicContact CD2-CG2 4.46Å; L931-V948 HydrophobicContact CD1-CG1 3.88Å; L931-V948 HydrophobicContact CD1-CG2 3.88Å; L938-V948 HydrophobicContact CD1-CG2 4.16Å; L938-V948 HydrophobicContact CD2-CB 4.35Å; L938-V948 HydrophobicContact CD2-CG1 4.3Å; L938-V948 HydrophobicContact CD2-CG2 4.08Å; Q944-V948 WeakPolarHBondContact O-CG2 3.49Å; Q944-V948 PolarHBondContact O-N 3.4Å; M945-V948 PolarHBondContact O-N 3.45Å; V948-E950 PolarHBondContact O-N 3.32Å; V948-G951 PolarHBondContact O-N 2.66Å; V948-L952 HydrophobicContact CG1-CD1 3.72Å; V948-L952 HydrophobicContact CG1-CG 4.23Å; V948-L952 WeakPolarHBondContact O-CB 3.47Å; V948-L952 VanDerWaalsContact O-CG 3.25Å; V948-L952 WeakPolarHBondContact O-CG 3.39Å; V948-L952 PolarHBondContact O-N 2.92Å; V948-Y975 HydrophobicContact CG1-CE1 4.24Å; V948-L979 HydrophobicContact CG1-CD1 3.84Å
949F92.9Very high84.3Confident2 Ų246.1 Ų46.11%0.00926%0.26CS..Hα-helixtrans-61.9-42.9-178.6-171.7-97.4000112.3M945 A946 Q947 C953 L976 L979 Y980 L986 F990 F994M945-F949 WeakPolarHBondContact O-CB 3.36Å; M945-F949 PolarHBondContact O-N 3.05Å; A946-F949 PolarHBondContact O-N 3.23Å; Q947-F949 VanDerWaalsContact C-N 3.34Å; Q947-F949 PolarHBondContact O-N 3.34Å; F949-C953 WeakPolarHBondContact O-CB 3.48Å; F949-C953 PolarHBondContact O-N 3.31Å; F949-C953 VanDerWaalsContact O-N 3.09Å; F949-C953 PolarHBondContact O-SG 3.39Å; F949-L976 HydrophobicContact CD2-CD2 3.65Å; F949-L976 HydrophobicContact CE2-CD2 3.68Å; F949-L976 HydrophobicContact CG-CD2 4.33Å; F949-L976 HydrophobicContact CZ-CD2 4.4Å; F949-L979 HydrophobicContact CD2-CB 4.14Å; F949-L979 HydrophobicContact CD2-CD1 4.4Å; F949-Y980 HydrophobicContact CE2-CD2 4.49Å; F949-Y980 HydrophobicContact CZ-CD2 4.1Å; F949-L986 HydrophobicContact CB-CD1 4.1Å; F949-L986 HydrophobicContact CB-CD2 4.05Å; F949-L986 HydrophobicContact CD2-CD1 3.84Å; F949-L986 HydrophobicContact CG-CD1 3.99Å; F949-L986 HydrophobicContact CG-CD2 4.25Å; F949-F990 HydrophobicContact CD1-CB 4.46Å; F949-F990 HydrophobicContact CD1-CD1 4.36Å; F949-F990 AromaticContact CD1-CD2 3.47Å; F949-F990 HydrophobicContact CD1-CD2 3.47Å; F949-F990 VanDerWaalsContact CD1-CD2 3.47Å; F949-F990 HydrophobicContact CD1-CE1 4.48Å; F949-F990 AromaticContact CD1-CE2 3.62Å; F949-F990 HydrophobicContact CD1-CE2 3.62Å; F949-F990 AromaticContact CD1-CG 3.86Å; F949-F990 HydrophobicContact CD1-CG 3.86Å; F949-F990 HydrophobicContact CD1-CZ 4.13Å; F949-F990 HydrophobicContact CE1-CB 3.81Å; F949-F990 HydrophobicContact CE1-CD1 4.29Å; F949-F990 AromaticContact CE1-CD2 3.7Å; F949-F990 HydrophobicContact CE1-CD2 3.7Å; F949-F990 HydrophobicContact CE1-CE2 4.3Å; F949-F990 AromaticContact CE1-CG 3.68Å; F949-F990 HydrophobicContact CE1-CG 3.68Å; F949-F990 HydrophobicContact CG-CD2 4.46Å; F949-F990 HydrophobicContact CG-CE2 4.45Å; F949-F994 HydrophobicContact CE1-CD2 4.27Å; F949-F994 HydrophobicContact CE1-CG 4.39Å; F949-F994 HydrophobicContact CE2-CD1 4.42Å; F949-F994 HydrophobicContact CE2-CE1 4.16Å; F949-F994 HydrophobicContact CE2-CE2 4.33Å; F949-F994 HydrophobicContact CE2-CZ 4.11Å; F949-F994 HydrophobicContact CZ-CB 4.33Å; F949-F994 AromaticContact CZ-CD1 3.79Å; F949-F994 HydrophobicContact CZ-CD1 3.79Å; F949-F994 AromaticContact CZ-CD2 3.65Å; F949-F994 HydrophobicContact CZ-CD2 3.65Å; F949-F994 AromaticContact CZ-CE1 3.92Å; F949-F994 HydrophobicContact CZ-CE1 3.92Å; F949-F994 AromaticContact CZ-CE2 3.77Å; F949-F994 HydrophobicContact CZ-CE2 3.77Å; F949-F994 AromaticContact CZ-CG 3.66Å; F949-F994 HydrophobicContact CZ-CG 3.66Å; F949-F994 AromaticContact CZ-CZ 3.92Å; F949-F994 HydrophobicContact CZ-CZ 3.92Å
950E90.3Very high82.3Confident117 Ų11749.4 Ų49.455%0.54728%0.276SS..Hα-helixtrans-67.6-45.6177.6-169.1165.6170.700111.9A946 Q947 V948 C953 G954 F990A946-E950 WeakPolarHBondContact O-CB 3.49Å; A946-E950 PolarHBondContact O-N 2.75Å; Q947-E950 PolarHBondContact O-N 3.14Å; V948-E950 PolarHBondContact O-N 3.32Å; E950-C953 WeakPolarHBondContact O-CB 3.41Å; E950-C953 PolarHBondContact O-N 2.94Å; E950-G954 PolarHBondContact O-N 3.06Å; E950-F990 HydrophobicContact CB-CZ 4.46Å
951G90.3Very high80.3Confident16 Ų1655.3 Ų55.317%0.16531%0.308CS..Hα-helixtrans-61.2-45.2176.500000113.3Q947 V948 C953 G954 V955Q947-G951 PolarHBondContact O-N 2.72Å; V948-G951 PolarHBondContact O-N 2.66Å; G951-C953 VanDerWaalsContact C-N 3.33Å; G951-C953 PolarHBondContact O-N 3.36Å; G951-G954 PolarHBondContact O-N 2.88Å; G951-G954 VanDerWaalsContact O-N 3.11Å; G951-V955 PolarHBondContact O-N 3.31Å
952L91.2Very high78.5Confident0 Ų060.8 Ų60.80%033%0.325CS..Hα-helixtrans-64.8-35.7175.7-67.4176.7000112.2L898 C924 V928 V948 G954 V955 V956 I972 Y975 L976 L979L898-L952 HydrophobicContact CD1-CD2 3.77Å; L898-L952 HydrophobicContact CD1-CG 4.34Å; L898-L952 HydrophobicContact CD2-CD2 4.13Å; L898-L952 HydrophobicContact CD2-CG 4.01Å; C924-L952 VanDerWaalsContact SG-CD2 3.6Å; V928-L952 HydrophobicContact CG2-CD1 4.14Å; V928-L952 HydrophobicContact CG2-CD2 3.44Å; V928-L952 VanDerWaalsContact CG2-CD2 3.44Å; V928-L952 HydrophobicContact CG2-CG 4.46Å; V948-L952 HydrophobicContact CG1-CD1 3.72Å; V948-L952 HydrophobicContact CG1-CG 4.23Å; V948-L952 WeakPolarHBondContact O-CB 3.47Å; V948-L952 VanDerWaalsContact O-CG 3.25Å; V948-L952 WeakPolarHBondContact O-CG 3.39Å; V948-L952 PolarHBondContact O-N 2.92Å; L952-G954 VanDerWaalsContact C-N 3.31Å; L952-V955 PolarHBondContact O-N 3.4Å; L952-V956 PolarHBondContact O-N 2.99Å; L952-I972 HydrophobicContact CB-CG2 4.42Å; L952-I972 HydrophobicContact CD2-CG2 4.16Å; L952-Y975 HydrophobicContact CD1-CD1 3.71Å; L952-Y975 HydrophobicContact CD1-CE1 4.11Å; L952-L976 HydrophobicContact CB-CD1 4.21Å; L952-L976 HydrophobicContact CB-CD2 3.65Å; L952-L976 HydrophobicContact CB-CG 3.92Å; L952-L976 HydrophobicContact CD1-CD2 4.36Å; L952-L976 HydrophobicContact CD1-CG 4.42Å; L952-L979 HydrophobicContact CD1-CD1 4.09Å
953C85.9Confident76.9Confident25 Ų2561.3 Ų61.317%0.16934%0.336CS..Hα-helixtrans-66-32.6172-72.50000112.7F949 E950 G951F949-C953 WeakPolarHBondContact O-CB 3.48Å; F949-C953 PolarHBondContact O-N 3.31Å; F949-C953 VanDerWaalsContact O-N 3.09Å; F949-C953 PolarHBondContact O-SG 3.39Å; E950-C953 WeakPolarHBondContact O-CB 3.41Å; E950-C953 PolarHBondContact O-N 2.94Å; G951-C953 VanDerWaalsContact C-N 3.33Å; G951-C953 PolarHBondContact O-N 3.36Å
954G81Confident75.5Confident39 Ų3958.6 Ų58.640%0.40232%0.321SS..Hα-helixtrans-67.2-33.4175.900000113.9E950 G951 L952E950-G954 PolarHBondContact O-N 3.06Å; G951-G954 PolarHBondContact O-N 2.88Å; G951-G954 VanDerWaalsContact O-N 3.11Å; L952-G954 VanDerWaalsContact C-N 3.31Å
955V81.4Confident74.7Confident32 Ų3257.6 Ų57.619%0.19432%0.321CS..Hα-helixtrans-69.3-52174177.90000110.6L898 L901 C924 G951 L952 K957L898-V955 HydrophobicContact CD1-CG2 4.43Å; L901-V955 HydrophobicContact CB-CG2 4.43Å; L901-V955 HydrophobicContact CD1-CG2 4.26Å; C924-V955 HydrophobicContact CB-CG1 4.46Å; G951-V955 PolarHBondContact O-N 3.31Å; L952-V955 PolarHBondContact O-N 3.4Å; V955-K957 VanDerWaalsContact C-N 3.28Å; V955-K957 PolarHBondContact O-N 3.06Å
956V78Confident74.3Confident13 Ų1358 Ų588%0.07932%0.324CS..SBendtrans-87.363.7-174.1-162.90000111.8L952 H958 I972 L973L952-V956 PolarHBondContact O-N 2.99Å; V956-H958 PolarHBondContact O-N 3.21Å; V956-I972 HydrophobicContact CG2-CB 4.24Å; V956-I972 HydrophobicContact CG2-CG2 3.5Å; V956-I972 VanDerWaalsContact CG2-CG2 3.5Å; V956-L973 HydrophobicContact CG1-CD2 3.98Å; V956-L973 HydrophobicContact CG1-CG 4.41Å
957K64.5Low74.1Confident130 Ų13058 Ų5857%0.56532%0.323SS*.  trans-43.7130.4-175.3-68.5166.6-176.8160.10112.6V955 G959V955-K957 VanDerWaalsContact C-N 3.28Å; V955-K957 PolarHBondContact O-N 3.06Å; K957-G959 PolarHBondContact O-N 3.18Å
958H49.4Very low73.9Confident145 Ų14554.5 Ų54.567%0.67131%0.308SS*.THydrogen-bonded Turntrans-619.6-164-61.2-19000118.8V956V956-H958 PolarHBondContact O-N 3.21Å
959G49.7Very low73.5Confident75 Ų7556.2 Ų56.277%0.77332%0.316SS*.THydrogen-bonded Turntrans-103.8-2.6-169.300000117.7K957K957-G959 PolarHBondContact O-N 3.18Å
960M50.4Low73.3Confident83 Ų8357.2 Ų57.241%0.40932%0.32SS..  trans-74136.2-169.2-64.3178.578.900114.5R962 E969M960-R962 WeakPolarHBondContact O-CG 3.32Å; M960-E969 VanDerWaalsContact CE-OE1 3.23Å; M960-E969 WeakPolarHBondContact CE-OE1 3.15Å
961N47.4Very low73.3Confident146 Ų14651.7 Ų51.778%0.78129%0.294SS*.  trans-70.2129.3164.5-90.8-30.4000109.6S963N961-S963 VanDerWaalsContact C-N 3.3Å; N961-S963 PolarHBondContact O-N 3.15Å
962R52.3Low73.4Confident158 Ų15851 Ų5160%0.59629%0.286SS*.THydrogen-bonded Turntrans-88.740.9-148-57.8-175.2176.993.36.6115.3M960M960-R962 WeakPolarHBondContact O-CG 3.32Å
963S54.3Low73.3Confident75 Ų7552.6 Ų52.652%0.52430%0.295SS..THydrogen-bonded Turntrans-134.3-25.2-17948.30000114.9N961N961-S963 VanDerWaalsContact C-N 3.3Å; N961-S963 PolarHBondContact O-N 3.15Å
964D61.8Low73.4Confident57 Ų5751.4 Ų51.431%0.30529%0.287SS..  trans-111.251.2-162.5-60.423.9000111.9K1042 Y1085D964-K1042 WeakPolarHBondContact OD2-CE 3.46Å; D964-K1042 IonicContact OD2-NZ 2.63Å; D964-K1042 PolarHBondContact OD2-NZ 2.74Å; D964-Y1085 WeakPolarHBondContact O-CE1 3.35Å
965G74.3Confident74Confident16 Ų1649.6 Ų49.617%0.16527%0.268CS..  trans-112.3150.7-176.600000114.5G1084 Y1085G965-G1084 CarbonylContact O-C 3.49Å; G965-G1084 WeakPolarHBondContact O-CA 3.49Å; G965-G1084 VanDerWaalsContact O-O 3.1Å; G965-Y1085 PolarHBondContact O-N 3.41Å
966S84.6Confident74.4Confident10 Ų1048.1 Ų48.17%0.0726%0.259CS..  trans-64.7167.6178.260.50000114.3A968 E969 R970 E1081S966-A968 VanDerWaalsContact C-N 3.26Å; S966-A968 PolarHBondContact O-N 2.7Å; S966-E969 WeakPolarHBondContact CB-OE2 3.38Å; S966-E969 PolarHBondContact N-OE2 3.22Å; S966-E969 PolarHBondContact O-N 2.75Å; S966-E969 WeakPolarHBondContact OG-CB 3.48Å; S966-E969 VanDerWaalsContact OG-CD 3.31Å; S966-E969 VanDerWaalsContact OG-CG 3.23Å; S966-E969 WeakPolarHBondContact OG-CG 3.01Å; S966-E969 PolarHBondContact OG-N 2.65Å; S966-E969 VanDerWaalsContact OG-N 3.12Å; S966-E969 PolarHBondContact OG-OE2 2.8Å; S966-R970 PolarHBondContact O-N 3Å; S966-E1081 WeakPolarHBondContact CA-OE2 3.22Å; S966-E1081 VanDerWaalsContact CB-OE2 3.25Å; S966-E1081 WeakPolarHBondContact CB-OE2 3.46Å
967S88.3Confident75Confident0 Ų049.3 Ų49.30%026%0.262CS..Hα-helixtrans-63.2-3717387.60000111.6R970 C971 E1081 R1139S967-R970 PolarHBondContact O-N 3.47Å; S967-C971 PolarHBondContact O-N 3.33Å; S967-C971 VanDerWaalsContact O-N 3.16Å; S967-C971 PolarHBondContact O-SG 3.06Å; S967-C971 VanDerWaalsContact O-SG 3.33Å; S967-E1081 VanDerWaalsContact CB-OE1 3.23Å; S967-E1081 WeakPolarHBondContact CB-OE1 3.42Å; S967-E1081 PolarHBondContact N-OE1 3.41Å; S967-E1081 PolarHBondContact N-OE2 3.2Å; S967-E1081 PolarHBondContact OG-OE1 2.83Å; S967-R1139 PolarHBondContact OG-NH1 2.85Å; S967-R1139 VanDerWaalsContact OG-NH1 3.13Å
968A88.9Confident76.3Confident5 Ų543.4 Ų43.44%0.04124%0.237CC..Hα-helixtrans-64.4-47.5178.100000112.1T921 L925 S966 R970 C971 I972T921-A968 HydrophobicContact CG2-CB 3.58Å; L925-A968 HydrophobicContact CB-CB 4.06Å; L925-A968 HydrophobicContact CD1-CB 4.42Å; L925-A968 HydrophobicContact CD2-CB 3.92Å; L925-A968 HydrophobicContact CG-CB 4.35Å; S966-A968 VanDerWaalsContact C-N 3.26Å; S966-A968 PolarHBondContact O-N 2.7Å; A968-R970 VanDerWaalsContact C-N 3.29Å; A968-R970 PolarHBondContact O-N 2.76Å; A968-C971 PolarHBondContact O-N 3.4Å; A968-C971 VanDerWaalsContact O-N 3.12Å; A968-I972 WeakPolarHBondContact O-CG1 3.35Å; A968-I972 PolarHBondContact O-N 3.3Å
969E86.1Confident78.3Confident37 Ų3736.5 Ų36.517%0.17321%0.205CC..Hα-helixtrans-60.2-37.3175.4-74.1164.3121.400112.2T921 M960 S966 C971 I972 L973T921-E969 HydrophobicContact CG2-CG 4.07Å; M960-E969 VanDerWaalsContact CE-OE1 3.23Å; M960-E969 WeakPolarHBondContact CE-OE1 3.15Å; S966-E969 WeakPolarHBondContact CB-OE2 3.38Å; S966-E969 PolarHBondContact N-OE2 3.22Å; S966-E969 PolarHBondContact O-N 2.75Å; S966-E969 WeakPolarHBondContact OG-CB 3.48Å; S966-E969 VanDerWaalsContact OG-CD 3.31Å; S966-E969 VanDerWaalsContact OG-CG 3.23Å; S966-E969 WeakPolarHBondContact OG-CG 3.01Å; S966-E969 PolarHBondContact OG-N 2.65Å; S966-E969 VanDerWaalsContact OG-N 3.12Å; S966-E969 PolarHBondContact OG-OE2 2.8Å; E969-C971 PolarHBondContact O-N 2.88Å; E969-I972 PolarHBondContact O-N 2.74Å; E969-L973 WeakPolarHBondContact O-CB 3.2Å; E969-L973 WeakPolarHBondContact O-CG 3.37Å; E969-L973 PolarHBondContact O-N 2.79Å
970R88.3Confident80.3Confident22 Ų2234 Ų348%0.08317%0.173CC..Hα-helixtrans-61.2-43.4173.2-74-170.7178.8-177.28.4112.6S966 S967 A968 L973 A974 I1005 T1083 G1084S966-R970 PolarHBondContact O-N 3Å; S967-R970 PolarHBondContact O-N 3.47Å; A968-R970 VanDerWaalsContact C-N 3.29Å; A968-R970 PolarHBondContact O-N 2.76Å; R970-L973 PolarHBondContact O-N 2.62Å; R970-A974 VanDerWaalsContact O-CB 3.31Å; R970-A974 WeakPolarHBondContact O-CB 3.3Å; R970-A974 PolarHBondContact O-N 3.01Å; R970-I1005 HydrophobicContact CB-CD1 4.27Å; R970-I1005 VanDerWaalsContact O-CD1 3.27Å; R970-I1005 WeakPolarHBondContact O-CD1 2.87Å; R970-T1083 PolarHBondContact NH1-O 2.84Å; R970-T1083 PolarHBondContact NH2-O 3.21Å; R970-G1084 PolarHBondContact NH2-O 3.38Å
971C92Very high82.2Confident2 Ų232.3 Ų32.31%0.01417%0.167CC..Hα-helixtrans-65.3-40.5178.1-63.90000111.8L925 S967 A968 E969 A974 Y975 L1208L925-C971 HydrophobicContact CD1-CB 3.33Å; S967-C971 PolarHBondContact O-N 3.33Å; S967-C971 VanDerWaalsContact O-N 3.16Å; S967-C971 PolarHBondContact O-SG 3.06Å; S967-C971 VanDerWaalsContact O-SG 3.33Å; A968-C971 PolarHBondContact O-N 3.4Å; A968-C971 VanDerWaalsContact O-N 3.12Å; E969-C971 PolarHBondContact O-N 2.88Å; C971-A974 PolarHBondContact O-N 3.05Å; C971-Y975 PolarHBondContact O-N 3.49Å; C971-L1208 HydrophobicContact CB-CD2 4.38Å
972I91.1Very high84.2Confident0 Ų025.6 Ų25.60%013%0.131CC..Hα-helixtrans-62.5-47174.8-61.4159.3000110.8T921 C924 V928 L952 V956 A968 E969 A974 Y975 L976T921-I972 HydrophobicContact CG2-CD1 4.3Å; C924-I972 HydrophobicContact CB-CD1 3.92Å; V928-I972 HydrophobicContact CG2-CB 4.46Å; V928-I972 HydrophobicContact CG2-CG1 3.94Å; L952-I972 HydrophobicContact CB-CG2 4.42Å; L952-I972 HydrophobicContact CD2-CG2 4.16Å; V956-I972 HydrophobicContact CG2-CB 4.24Å; V956-I972 HydrophobicContact CG2-CG2 3.5Å; V956-I972 VanDerWaalsContact CG2-CG2 3.5Å; A968-I972 WeakPolarHBondContact O-CG1 3.35Å; A968-I972 PolarHBondContact O-N 3.3Å; E969-I972 PolarHBondContact O-N 2.74Å; I972-A974 PolarHBondContact O-N 2.82Å; I972-Y975 PolarHBondContact O-N 3.09Å; I972-L976 HydrophobicContact CG2-CD1 4.28Å; I972-L976 PolarHBondContact O-N 3.03Å
973L88.5Confident86Confident35 Ų3518.1 Ų18.118%0.18310%0.103CC..Hα-helixtrans-62.1-42.4176.9-73.4171.4000112.5V956 E969 R970 L976 Y977 F997 V1001 I1005V956-L973 HydrophobicContact CG1-CD2 3.98Å; V956-L973 HydrophobicContact CG1-CG 4.41Å; E969-L973 WeakPolarHBondContact O-CB 3.2Å; E969-L973 WeakPolarHBondContact O-CG 3.37Å; E969-L973 PolarHBondContact O-N 2.79Å; R970-L973 PolarHBondContact O-N 2.62Å; L973-L976 PolarHBondContact O-N 3.25Å; L973-Y977 PolarHBondContact O-N 3.38Å; L973-F997 HydrophobicContact CD2-CE1 3.64Å; L973-F997 HydrophobicContact CD2-CZ 3.46Å; L973-F997 VanDerWaalsContact CD2-CZ 3.46Å; L973-V1001 HydrophobicContact CB-CG1 4.29Å; L973-V1001 HydrophobicContact CD2-CG2 4.17Å; L973-I1005 HydrophobicContact CB-CD1 3.88Å
974A89.3Confident87.6Confident0 Ų017 Ų170%010%0.096CC..Hα-helixtrans-61.5-43.8175.800000111.1R970 C971 I972 Y977 D978 I1005 Y1006 Q1140R970-A974 VanDerWaalsContact O-CB 3.31Å; R970-A974 WeakPolarHBondContact O-CB 3.3Å; R970-A974 PolarHBondContact O-N 3.01Å; C971-A974 PolarHBondContact O-N 3.05Å; I972-A974 PolarHBondContact O-N 2.82Å; A974-Y977 WeakPolarHBondContact O-CB 3.32Å; A974-Y977 PolarHBondContact O-N 3.48Å; A974-D978 VanDerWaalsContact O-CG 3.3Å; A974-D978 PolarHBondContact O-N 2.83Å; A974-D978 VanDerWaalsContact O-OD1 3.07Å; A974-I1005 HydrophobicContact CB-CD1 4.1Å; A974-I1005 HydrophobicContact CB-CG2 4.36Å; A974-Y1006 HydrophobicContact CB-CE2 4.34Å; A974-Q1140 HydrophobicContact CB-CG 4.06Å
975Y92.9Very high88.8Confident0 Ų016.8 Ų16.80%09%0.092CC..Hα-helixtrans-70.3-36178.4-172.9-135.2000113.3V928 L931 R932 H935 L938 V948 L952 C971 I972 Y977 D978 L979V928-Y975 HydrophobicContact CB-CD1 4.35Å; V928-Y975 HydrophobicContact CG1-CD1 3.85Å; V928-Y975 HydrophobicContact CG1-CG 4.02Å; V928-Y975 HydrophobicContact CG2-CD1 4.11Å; L931-Y975 VanDerWaalsContact C-OH 3.25Å; L931-Y975 HydrophobicContact CB-CE1 3.72Å; L931-Y975 PolarHBondContact O-OH 3.39Å; R932-Y975 HydrophobicContact CB-CD1 4.49Å; R932-Y975 HydrophobicContact CB-CD2 3.66Å; R932-Y975 HydrophobicContact CB-CE2 3.72Å; R932-Y975 HydrophobicContact CB-CG 4.06Å; R932-Y975 HydrophobicContact CG-CD2 3.45Å; R932-Y975 VanDerWaalsContact CG-CD2 3.45Å; R932-Y975 HydrophobicContact CG-CE2 3.77Å; R932-Y975 HydrophobicContact CG-CG 4.14Å; H935-Y975 AromaticContact ND1-CE2 3.84Å; L938-Y975 WeakPolarHBondContact CD2-OH 3.41Å; V948-Y975 HydrophobicContact CG1-CE1 4.24Å; L952-Y975 HydrophobicContact CD1-CD1 3.71Å; L952-Y975 HydrophobicContact CD1-CE1 4.11Å; C971-Y975 PolarHBondContact O-N 3.49Å; I972-Y975 PolarHBondContact O-N 3.09Å; Y975-Y977 VanDerWaalsContact C-N 3.3Å; Y975-Y977 PolarHBondContact O-N 3.04Å; Y975-D978 HydrophobicContact CD2-CB 4.17Å; Y975-D978 PolarHBondContact O-N 3.17Å; Y975-L979 HydrophobicContact CD1-CD1 4.01Å; Y975-L979 HydrophobicContact CD1-CG 4.42Å; Y975-L979 HydrophobicContact CD2-CG 4.07Å; Y975-L979 HydrophobicContact CE1-CD1 3.75Å; Y975-L979 HydrophobicContact CE1-CD2 4.39Å; Y975-L979 HydrophobicContact CE1-CG 4.12Å; Y975-L979 HydrophobicContact CE2-CD1 4.3Å; Y975-L979 HydrophobicContact CE2-CD2 3.85Å; Y975-L979 HydrophobicContact CE2-CG 3.75Å; Y975-L979 HydrophobicContact CG-CD1 4.41Å; Y975-L979 HydrophobicContact CG-CG 4.41Å; Y975-L979 WeakPolarHBondContact O-CB 3.4Å; Y975-L979 WeakPolarHBondContact O-CG 3.35Å; Y975-L979 PolarHBondContact O-N 3.18Å
976L91.2Very high89.6Confident2 Ų216 Ų161%0.019%0.085CC..Hα-helixtrans-58.3-40.9170.2-83.2170.2000112.1F949 L952 I972 L973 Y980 F994F949-L976 HydrophobicContact CD2-CD2 3.65Å; F949-L976 HydrophobicContact CE2-CD2 3.68Å; F949-L976 HydrophobicContact CG-CD2 4.33Å; F949-L976 HydrophobicContact CZ-CD2 4.4Å; L952-L976 HydrophobicContact CB-CD1 4.21Å; L952-L976 HydrophobicContact CB-CD2 3.65Å; L952-L976 HydrophobicContact CB-CG 3.92Å; L952-L976 HydrophobicContact CD1-CD2 4.36Å; L952-L976 HydrophobicContact CD1-CG 4.42Å; I972-L976 HydrophobicContact CG2-CD1 4.28Å; I972-L976 PolarHBondContact O-N 3.03Å; L973-L976 PolarHBondContact O-N 3.25Å; L976-Y980 WeakPolarHBondContact O-CB 3.08Å; L976-Y980 PolarHBondContact O-N 2.92Å; L976-Y980 VanDerWaalsContact O-N 3.08Å; L976-F994 HydrophobicContact CB-CZ 4.02Å
977Y90.5Very high89.8Confident37 Ų3720 Ų2015%0.14510%0.101CC..Hα-helixtrans-65.6-45.5172.6173.3-85.1000112L973 A974 Y975 L979 Y980 T981 C998 V1001 K1002 Y1006L973-Y977 PolarHBondContact O-N 3.38Å; A974-Y977 WeakPolarHBondContact O-CB 3.32Å; A974-Y977 PolarHBondContact O-N 3.48Å; Y975-Y977 VanDerWaalsContact C-N 3.3Å; Y975-Y977 PolarHBondContact O-N 3.04Å; Y977-L979 PolarHBondContact O-N 2.68Å; Y977-Y980 PolarHBondContact O-N 2.83Å; Y977-T981 HydrophobicContact CD1-CG2 4.24Å; Y977-T981 HydrophobicContact CD2-CG2 4.17Å; Y977-T981 HydrophobicContact CE1-CG2 3.91Å; Y977-T981 HydrophobicContact CE2-CG2 3.8Å; Y977-T981 HydrophobicContact CG-CG2 4.37Å; Y977-T981 WeakPolarHBondContact O-CB 3.3Å; Y977-T981 WeakPolarHBondContact O-CG2 3.37Å; Y977-T981 PolarHBondContact O-N 2.63Å; Y977-T981 PolarHBondContact O-OG1 3.39Å; Y977-C998 WeakPolarHBondContact CD2-SG 3.17Å; Y977-C998 VanDerWaalsContact CE2-SG 3.59Å; Y977-V1001 HydrophobicContact CG-CG1 4.47Å; Y977-K1002 HydrophobicContact CD2-CB 4.37Å; Y977-K1002 HydrophobicContact CE2-CB 3.7Å; Y977-K1002 HydrophobicContact CE2-CD 4.37Å; Y977-K1002 HydrophobicContact CE2-CG 4.06Å; Y977-Y1006 AromaticContact CD1-CD2 3.55Å; Y977-Y1006 HydrophobicContact CD1-CD2 3.55Å; Y977-Y1006 AromaticContact CD1-CE2 3.31Å; Y977-Y1006 HydrophobicContact CD1-CE2 3.31Å; Y977-Y1006 AromaticContact CE1-CD2 3.64Å; Y977-Y1006 HydrophobicContact CE1-CD2 3.64Å; Y977-Y1006 AromaticContact CE1-CE2 3.77Å; Y977-Y1006 HydrophobicContact CE1-CE2 3.77Å; Y977-Y1006 HydrophobicContact CG-CD2 4.11Å; Y977-Y1006 HydrophobicContact CG-CE2 4.01Å
978D90.3Very high89.8Confident6 Ų624.7 Ų24.73%0.03213%0.134CC..Hα-helixtrans-58.5-47.8178-7312000111.3R932 A974 Y975 T981 S982 Y1006 R1215R932-D978 IonicContact CZ-OD2 2.71Å; R932-D978 IonicContact NE-OD2 3.63Å; R932-D978 PolarHBondContact NE-OD2 3.37Å; R932-D978 IonicContact NH2-OD2 3.89Å; R932-D978 PolarHBondContact NH2-OD2 3.25Å; A974-D978 VanDerWaalsContact O-CG 3.3Å; A974-D978 PolarHBondContact O-N 2.83Å; A974-D978 VanDerWaalsContact O-OD1 3.07Å; Y975-D978 HydrophobicContact CD2-CB 4.17Å; Y975-D978 PolarHBondContact O-N 3.17Å; D978-T981 PolarHBondContact O-N 2.86Å; D978-T981 PolarHBondContact O-OG1 3.04Å; D978-S982 VanDerWaalsContact O-CB 3.28Å; D978-S982 WeakPolarHBondContact O-CB 3.47Å; D978-S982 PolarHBondContact O-N 3.04Å; D978-Y1006 PolarHBondContact OD1-OH 3.49Å; D978-R1215 IonicContact OD2-NE 3.71Å; D978-R1215 PolarHBondContact OD2-NE 2.9Å; D978-R1215 IonicContact OD2-NH2 3.67Å
979L92.4Very high89.8Confident0 Ų029.5 Ų29.50%015%0.154CC..Hα-helixtrans-58.4-55.3176-74.8173.5000111.7L938 M945 V948 F949 L952 Y975 Y977 T981 S982 C983 L986L938-L979 HydrophobicContact CD2-CD2 4.2Å; M945-L979 HydrophobicContact CE-CD2 4.48Å; M945-L979 HydrophobicContact CG-CD2 3.77Å; M945-L979 HydrophobicContact SD-CD2 3.99Å; V948-L979 HydrophobicContact CG1-CD1 3.84Å; F949-L979 HydrophobicContact CD2-CB 4.14Å; F949-L979 HydrophobicContact CD2-CD1 4.4Å; L952-L979 HydrophobicContact CD1-CD1 4.09Å; Y975-L979 HydrophobicContact CD1-CD1 4.01Å; Y975-L979 HydrophobicContact CD1-CG 4.42Å; Y975-L979 HydrophobicContact CD2-CG 4.07Å; Y975-L979 HydrophobicContact CE1-CD1 3.75Å; Y975-L979 HydrophobicContact CE1-CD2 4.39Å; Y975-L979 HydrophobicContact CE1-CG 4.12Å; Y975-L979 HydrophobicContact CE2-CD1 4.3Å; Y975-L979 HydrophobicContact CE2-CD2 3.85Å; Y975-L979 HydrophobicContact CE2-CG 3.75Å; Y975-L979 HydrophobicContact CG-CD1 4.41Å; Y975-L979 HydrophobicContact CG-CG 4.41Å; Y975-L979 WeakPolarHBondContact O-CB 3.4Å; Y975-L979 WeakPolarHBondContact O-CG 3.35Å; Y975-L979 PolarHBondContact O-N 3.18Å; Y977-L979 PolarHBondContact O-N 2.68Å; L979-T981 VanDerWaalsContact C-N 3.28Å; L979-T981 PolarHBondContact O-N 3.16Å; L979-S982 PolarHBondContact O-N 2.72Å; L979-C983 PolarHBondContact O-N 3.41Å; L979-L986 HydrophobicContact CB-CD1 3.98Å
980Y91.3Very high89.9Confident24 Ų2429.2 Ų29.29%0.09415%0.152CC..Hα-helixtrans-61.6-36.1-178.3-179.3-94.5000112.2F949 L976 Y977 K987 F994 C998F949-Y980 HydrophobicContact CE2-CD2 4.49Å; F949-Y980 HydrophobicContact CZ-CD2 4.1Å; L976-Y980 WeakPolarHBondContact O-CB 3.08Å; L976-Y980 PolarHBondContact O-N 2.92Å; L976-Y980 VanDerWaalsContact O-N 3.08Å; Y977-Y980 PolarHBondContact O-N 2.83Å; Y980-K987 HydrophobicContact CE1-CG 4.21Å; Y980-K987 HydrophobicContact CE2-CG 4.2Å; Y980-K987 WeakPolarHBondContact O-CE 3.39Å; Y980-K987 VanDerWaalsContact O-CG 3.3Å; Y980-K987 WeakPolarHBondContact O-CG 3.48Å; Y980-F994 AromaticContact CD1-CD1 3.97Å; Y980-F994 HydrophobicContact CD1-CD1 3.97Å; Y980-F994 HydrophobicContact CD1-CE1 4.36Å; Y980-F994 HydrophobicContact CD2-CB 4.23Å; Y980-F994 AromaticContact CD2-CD1 3.55Å; Y980-F994 HydrophobicContact CD2-CD1 3.55Å; Y980-F994 HydrophobicContact CD2-CE1 4.3Å; Y980-F994 HydrophobicContact CD2-CG 4.21Å; Y980-F994 HydrophobicContact CE1-CD1 4.37Å; Y980-F994 HydrophobicContact CE2-CB 4.01Å; Y980-F994 AromaticContact CE2-CD1 3.98Å; Y980-F994 HydrophobicContact CE2-CD1 3.98Å; Y980-F994 HydrophobicContact CE2-CG 4.44Å; Y980-F994 AromaticContact CG-CD1 3.54Å; Y980-F994 HydrophobicContact CG-CD1 3.54Å; Y980-F994 AromaticContact CG-CE1 3.91Å; Y980-F994 HydrophobicContact CG-CE1 3.91Å; Y980-C998 HydrophobicContact CD1-CB 3.98Å; Y980-C998 HydrophobicContact CE1-CB 4.04Å
981T90Very high89.6Confident46 Ų4629 Ų2928%0.28216%0.157SC..Hα-helixtrans-78.2-31.2178.554.70000113.2Y977 D978 L979 K987Y977-T981 HydrophobicContact CD1-CG2 4.24Å; Y977-T981 HydrophobicContact CD2-CG2 4.17Å; Y977-T981 HydrophobicContact CE1-CG2 3.91Å; Y977-T981 HydrophobicContact CE2-CG2 3.8Å; Y977-T981 HydrophobicContact CG-CG2 4.37Å; Y977-T981 WeakPolarHBondContact O-CB 3.3Å; Y977-T981 WeakPolarHBondContact O-CG2 3.37Å; Y977-T981 PolarHBondContact O-N 2.63Å; Y977-T981 PolarHBondContact O-OG1 3.39Å; D978-T981 PolarHBondContact O-N 2.86Å; D978-T981 PolarHBondContact O-OG1 3.04Å; L979-T981 VanDerWaalsContact C-N 3.28Å; L979-T981 PolarHBondContact O-N 3.16Å; T981-K987 VanDerWaalsContact O-CE 3.26Å; T981-K987 WeakPolarHBondContact O-CE 3.39Å; T981-K987 PolarHBondContact O-NZ 3.23Å
982S89.2Confident89.1Confident5 Ų538.5 Ų38.54%0.03520%0.201CC..Hα-helixtrans-76.5-28178.4-90.70000115.5E470 R471 S472 H935 D978 L979E470-S982 VanDerWaalsContact O-CB 3.29Å; E470-S982 WeakPolarHBondContact O-CB 3.38Å; E470-S982 PolarHBondContact O-OG 2.92Å; R471-S982 CarbonylContact C-O 3.57Å; R471-S982 VanDerWaalsContact CA-O 3.3Å; R471-S982 WeakPolarHBondContact CA-O 3.32Å; S472-S982 PolarHBondContact N-O 2.85Å; H935-S982 PolarHBondContact NE2-OG 3.12Å; D978-S982 VanDerWaalsContact O-CB 3.28Å; D978-S982 WeakPolarHBondContact O-CB 3.47Å; D978-S982 PolarHBondContact O-N 3.04Å; L979-S982 PolarHBondContact O-N 2.72Å
983C90.1Very high88.3Confident1 Ų145.4 Ų45.41%0.00724%0.237CC..BIsolated β-bridgetrans-118.2121.1-169.3-173.50000113.6M945 L979 H985 L986 K987M945-C983 HydrophobicContact CE-CB 3.98Å; M945-C983 HydrophobicContact SD-CB 3.42Å; M945-C983 WeakPolarHBondContact SD-CB 3.3Å; L979-C983 PolarHBondContact O-N 3.41Å; C983-H985 VanDerWaalsContact C-N 3.32Å; C983-H985 PolarHBondContact O-N 3.15Å; C983-L986 HydrophobicContact CB-CB 4.35Å; C983-L986 HydrophobicContact CB-CD1 4.22Å; C983-L986 HydrophobicContact CB-CG 4.02Å; C983-L986 PolarHBondContact O-N 3.46Å; C983-K987 PolarHBondContact O-N 3.47Å
984S87.6Confident88.1Confident53 Ų5344.3 Ų44.337%0.37123%0.231SC..Hα-helixtrans-66.1-32.9177.365.60000113S472 L986 K987 S988S472-S984 PolarHBondContact O-N 3.39Å; S472-S984 PolarHBondContact O-OG 3.49Å; S984-L986 PolarHBondContact O-N 3.37Å; S984-K987 WeakPolarHBondContact O-CB 3.38Å; S984-K987 PolarHBondContact O-N 3.45Å; S984-S988 PolarHBondContact O-N 2.95Å; S984-S988 PolarHBondContact O-OG 3.22Å
985H88.2Confident87.8Confident51 Ų5147.1 Ų47.124%0.23625%0.25CS..Hα-helixtrans-59.5-45.9176.7-173.7119000111.2Q942 C983 K987 S988 K989Q942-H985 PolarHBondContact OE1-ND1 3.38Å; C983-H985 VanDerWaalsContact C-N 3.32Å; C983-H985 PolarHBondContact O-N 3.15Å; H985-K987 VanDerWaalsContact C-N 3.32Å; H985-K987 PolarHBondContact O-N 2.97Å; H985-S988 WeakPolarHBondContact CA-OG 3.23Å; H985-S988 PolarHBondContact O-N 2.97Å; H985-S988 PolarHBondContact O-OG 3.49Å; H985-K989 WeakPolarHBondContact O-CB 3.37Å; H985-K989 PolarHBondContact O-N 3.17Å
986L90.6Very high87.3Confident1 Ų152.3 Ų52.31%0.00528%0.278CS..Hα-helixtrans-63.3-39177-64.1-173.2000111.8M945 A946 F949 L979 C983 S984 S988 K989 F990M945-L986 HydrophobicContact CG-CD1 4.02Å; M945-L986 HydrophobicContact SD-CD1 3.48Å; M945-L986 WeakPolarHBondContact SD-CD1 3.02Å; M945-L986 HydrophobicContact SD-CG 3.92Å; A946-L986 HydrophobicContact CB-CD2 4.1Å; F949-L986 HydrophobicContact CB-CD1 4.1Å; F949-L986 HydrophobicContact CB-CD2 4.05Å; F949-L986 HydrophobicContact CD2-CD1 3.84Å; F949-L986 HydrophobicContact CG-CD1 3.99Å; F949-L986 HydrophobicContact CG-CD2 4.25Å; L979-L986 HydrophobicContact CB-CD1 3.98Å; C983-L986 HydrophobicContact CB-CB 4.35Å; C983-L986 HydrophobicContact CB-CD1 4.22Å; C983-L986 HydrophobicContact CB-CG 4.02Å; C983-L986 PolarHBondContact O-N 3.46Å; S984-L986 PolarHBondContact O-N 3.37Å; L986-S988 VanDerWaalsContact C-N 3.32Å; L986-S988 PolarHBondContact O-N 3.25Å; L986-K989 PolarHBondContact O-N 3.47Å; L986-F990 HydrophobicContact CB-CD2 4.48Å; L986-F990 HydrophobicContact CD2-CD2 3.98Å; L986-F990 HydrophobicContact CD2-CE2 3.8Å; L986-F990 PolarHBondContact O-N 2.85Å
987K89.6Confident86.9Confident93 Ų9354.6 Ų54.640%0.40429%0.288SS..Hα-helixtrans-61.9-38.2175.4-63.6173.3-166.1170.20112.1Y980 T981 C983 S984 H985 G991Y980-K987 HydrophobicContact CE1-CG 4.21Å; Y980-K987 HydrophobicContact CE2-CG 4.2Å; Y980-K987 WeakPolarHBondContact O-CE 3.39Å; Y980-K987 VanDerWaalsContact O-CG 3.3Å; Y980-K987 WeakPolarHBondContact O-CG 3.48Å; T981-K987 VanDerWaalsContact O-CE 3.26Å; T981-K987 WeakPolarHBondContact O-CE 3.39Å; T981-K987 PolarHBondContact O-NZ 3.23Å; C983-K987 PolarHBondContact O-N 3.47Å; S984-K987 WeakPolarHBondContact O-CB 3.38Å; S984-K987 PolarHBondContact O-N 3.45Å; H985-K987 VanDerWaalsContact C-N 3.32Å; H985-K987 PolarHBondContact O-N 2.97Å; K987-G991 WeakPolarHBondContact O-CA 3.48Å; K987-G991 PolarHBondContact O-N 3.26Å; K987-G991 VanDerWaalsContact O-N 3.15Å
988S87.7Confident86.6Confident99 Ų9953.4 Ų53.469%0.69229%0.285SS*.Hα-helixtrans-74.4-38.417445.50000113.6S984 H985 L986S984-S988 PolarHBondContact O-N 2.95Å; S984-S988 PolarHBondContact O-OG 3.22Å; H985-S988 WeakPolarHBondContact CA-OG 3.23Å; H985-S988 PolarHBondContact O-N 2.97Å; H985-S988 PolarHBondContact O-OG 3.49Å; L986-S988 VanDerWaalsContact C-N 3.32Å; L986-S988 PolarHBondContact O-N 3.25Å
989K88.8Confident86.3Confident105 Ų10556.2 Ų56.246%0.45731%0.305SS..Hα-helixtrans-78.6-33.6-174.8-173.1173.1175.6-1790113.4A946 H985 L986A946-K989 HydrophobicContact CB-CD 4.26Å; H985-K989 WeakPolarHBondContact O-CB 3.37Å; H985-K989 PolarHBondContact O-N 3.17Å; L986-K989 PolarHBondContact O-N 3.47Å
990F87.6Confident85.9Confident31 Ų3159.6 Ų59.614%0.13632%0.32CS..Hα-helixtrans-123.78.7-173.4-57.8-75000114A946 F949 E950 L986 E992 L993 F994A946-F990 HydrophobicContact CB-CE2 4.34Å; F949-F990 HydrophobicContact CD1-CB 4.46Å; F949-F990 HydrophobicContact CD1-CD1 4.36Å; F949-F990 AromaticContact CD1-CD2 3.47Å; F949-F990 HydrophobicContact CD1-CD2 3.47Å; F949-F990 VanDerWaalsContact CD1-CD2 3.47Å; F949-F990 HydrophobicContact CD1-CE1 4.48Å; F949-F990 AromaticContact CD1-CE2 3.62Å; F949-F990 HydrophobicContact CD1-CE2 3.62Å; F949-F990 AromaticContact CD1-CG 3.86Å; F949-F990 HydrophobicContact CD1-CG 3.86Å; F949-F990 HydrophobicContact CD1-CZ 4.13Å; F949-F990 HydrophobicContact CE1-CB 3.81Å; F949-F990 HydrophobicContact CE1-CD1 4.29Å; F949-F990 AromaticContact CE1-CD2 3.7Å; F949-F990 HydrophobicContact CE1-CD2 3.7Å; F949-F990 HydrophobicContact CE1-CE2 4.3Å; F949-F990 AromaticContact CE1-CG 3.68Å; F949-F990 HydrophobicContact CE1-CG 3.68Å; F949-F990 HydrophobicContact CG-CD2 4.46Å; F949-F990 HydrophobicContact CG-CE2 4.45Å; E950-F990 HydrophobicContact CB-CZ 4.46Å; L986-F990 HydrophobicContact CB-CD2 4.48Å; L986-F990 HydrophobicContact CD2-CD2 3.98Å; L986-F990 HydrophobicContact CD2-CE2 3.8Å; L986-F990 PolarHBondContact O-N 2.85Å; F990-E992 PolarHBondContact O-N 3.21Å; F990-L993 PolarHBondContact O-N 2.85Å; F990-F994 WeakPolarHBondContact O-CB 3.35Å; F990-F994 PolarHBondContact O-N 3.05Å
991G83.6Confident85.6Confident18 Ų1858.9 Ų58.919%0.18632%0.318CS..Hα-helixtrans-56.2-46.9-169.900000115.2K987 L993 F994 S995K987-G991 WeakPolarHBondContact O-CA 3.48Å; K987-G991 PolarHBondContact O-N 3.26Å; K987-G991 VanDerWaalsContact O-N 3.15Å; G991-L993 VanDerWaalsContact C-N 3.29Å; G991-L993 PolarHBondContact O-N 2.95Å; G991-F994 PolarHBondContact O-N 3.41Å; G991-S995 WeakPolarHBondContact O-CB 3.49Å; G991-S995 PolarHBondContact O-N 2.91Å
992E80.7Confident85.5Confident202 Ų20261.4 Ų61.494%0.94433%0.325SS*.Hα-helixtrans-64-32.1-177.9-59.9-170.715800113.1F990F990-E992 PolarHBondContact O-N 3.21Å
993L75.1Confident85.2Confident144 Ų14466.7 Ų66.775%0.75435%0.353SS*.Hα-helixtrans-87.4-37.3-179.2-71.4161.9000112.3F990 G991F990-L993 PolarHBondContact O-N 2.85Å; G991-L993 VanDerWaalsContact C-N 3.29Å; G991-L993 PolarHBondContact O-N 2.95Å
994F83.6Confident84.8Confident12 Ų1269 Ų695%0.05337%0.367CS..Hα-helixtrans-104.7-19.3-165.6-158.1-96.5000115.4F949 L976 Y980 F990 G991 D996 F997 C998F949-F994 HydrophobicContact CE1-CD2 4.27Å; F949-F994 HydrophobicContact CE1-CG 4.39Å; F949-F994 HydrophobicContact CE2-CD1 4.42Å; F949-F994 HydrophobicContact CE2-CE1 4.16Å; F949-F994 HydrophobicContact CE2-CE2 4.33Å; F949-F994 HydrophobicContact CE2-CZ 4.11Å; F949-F994 HydrophobicContact CZ-CB 4.33Å; F949-F994 AromaticContact CZ-CD1 3.79Å; F949-F994 HydrophobicContact CZ-CD1 3.79Å; F949-F994 AromaticContact CZ-CD2 3.65Å; F949-F994 HydrophobicContact CZ-CD2 3.65Å; F949-F994 AromaticContact CZ-CE1 3.92Å; F949-F994 HydrophobicContact CZ-CE1 3.92Å; F949-F994 AromaticContact CZ-CE2 3.77Å; F949-F994 HydrophobicContact CZ-CE2 3.77Å; F949-F994 AromaticContact CZ-CG 3.66Å; F949-F994 HydrophobicContact CZ-CG 3.66Å; F949-F994 AromaticContact CZ-CZ 3.92Å; F949-F994 HydrophobicContact CZ-CZ 3.92Å; L976-F994 HydrophobicContact CB-CZ 4.02Å; Y980-F994 AromaticContact CD1-CD1 3.97Å; Y980-F994 HydrophobicContact CD1-CD1 3.97Å; Y980-F994 HydrophobicContact CD1-CE1 4.36Å; Y980-F994 HydrophobicContact CD2-CB 4.23Å; Y980-F994 AromaticContact CD2-CD1 3.55Å; Y980-F994 HydrophobicContact CD2-CD1 3.55Å; Y980-F994 HydrophobicContact CD2-CE1 4.3Å; Y980-F994 HydrophobicContact CD2-CG 4.21Å; Y980-F994 HydrophobicContact CE1-CD1 4.37Å; Y980-F994 HydrophobicContact CE2-CB 4.01Å; Y980-F994 AromaticContact CE2-CD1 3.98Å; Y980-F994 HydrophobicContact CE2-CD1 3.98Å; Y980-F994 HydrophobicContact CE2-CG 4.44Å; Y980-F994 AromaticContact CG-CD1 3.54Å; Y980-F994 HydrophobicContact CG-CD1 3.54Å; Y980-F994 AromaticContact CG-CE1 3.91Å; Y980-F994 HydrophobicContact CG-CE1 3.91Å; F990-F994 WeakPolarHBondContact O-CB 3.35Å; F990-F994 PolarHBondContact O-N 3.05Å; G991-F994 PolarHBondContact O-N 3.41Å; F994-D996 VanDerWaalsContact C-N 3.3Å; F994-D996 PolarHBondContact O-N 3.14Å; F994-F997 HydrophobicContact CD2-CB 4.33Å; F994-F997 HydrophobicContact CD2-CD1 4.04Å; F994-F997 HydrophobicContact CD2-CG 4.49Å; F994-F997 HydrophobicContact CE1-CD1 4.27Å; F994-F997 HydrophobicContact CE2-CB 4.49Å; F994-F997 AromaticContact CE2-CD1 3.38Å; F994-F997 HydrophobicContact CE2-CD1 3.38Å; F994-F997 AromaticContact CE2-CE1 3.84Å; F994-F997 HydrophobicContact CE2-CE1 3.84Å; F994-F997 HydrophobicContact CE2-CG 4.22Å; F994-F997 AromaticContact CZ-CD1 3.51Å; F994-F997 HydrophobicContact CZ-CD1 3.51Å; F994-F997 AromaticContact CZ-CE1 3.97Å; F994-F997 HydrophobicContact CZ-CE1 3.97Å; F994-F997 WeakPolarHBondContact O-CB 3.43Å; F994-F997 PolarHBondContact O-N 3.06Å; F994-C998 HydrophobicContact CD1-CB 3.85Å; F994-C998 HydrophobicContact CE1-CB 3.89Å; F994-C998 WeakPolarHBondContact O-CB 3.31Å; F994-C998 PolarHBondContact O-N 3.46Å
995S83.9Confident84.7Confident59 Ų5967.3 Ų67.341%0.41335%0.354SS..Hα-helixtrans-50.7-48.7179.6171.90000112.9G991 F997 S999G991-S995 WeakPolarHBondContact O-CB 3.49Å; G991-S995 PolarHBondContact O-N 2.91Å; S995-F997 VanDerWaalsContact C-N 3.26Å; S995-F997 PolarHBondContact O-N 2.8Å; S995-S999 PolarHBondContact O-N 3.42Å; S995-S999 PolarHBondContact O-OG 3.45Å; S995-S999 VanDerWaalsContact O-OG 3.1Å
996D81Confident84.6Confident110 Ų11067.1 Ų67.159%0.58835%0.351SS*.Hα-helixtrans-68.5-25.3-178.7-119.860.1000112.8F994 K1000F994-D996 VanDerWaalsContact C-N 3.3Å; F994-D996 PolarHBondContact O-N 3.14Å; D996-K1000 WeakPolarHBondContact O-CD 3.33Å; D996-K1000 WeakPolarHBondContact O-CE 3.49Å; D996-K1000 VanDerWaalsContact O-CG 3.28Å; D996-K1000 WeakPolarHBondContact O-CG 3.35Å; D996-K1000 PolarHBondContact O-NZ 2.94Å; D996-K1000 IonicContact OD2-NZ 3.86Å; D996-K1000 PolarHBondContact OD2-NZ 3.35Å
997F82.3Confident84.3Confident49 Ų4968.8 Ų68.822%0.21536%0.362CS..Hα-helixtrans-85.7-46.2178.8-173.2-92.2000111.2L973 F994 S995 S999 K1000 V1001L973-F997 HydrophobicContact CD2-CE1 3.64Å; L973-F997 HydrophobicContact CD2-CZ 3.46Å; L973-F997 VanDerWaalsContact CD2-CZ 3.46Å; F994-F997 HydrophobicContact CD2-CB 4.33Å; F994-F997 HydrophobicContact CD2-CD1 4.04Å; F994-F997 HydrophobicContact CD2-CG 4.49Å; F994-F997 HydrophobicContact CE1-CD1 4.27Å; F994-F997 HydrophobicContact CE2-CB 4.49Å; F994-F997 AromaticContact CE2-CD1 3.38Å; F994-F997 HydrophobicContact CE2-CD1 3.38Å; F994-F997 AromaticContact CE2-CE1 3.84Å; F994-F997 HydrophobicContact CE2-CE1 3.84Å; F994-F997 HydrophobicContact CE2-CG 4.22Å; F994-F997 AromaticContact CZ-CD1 3.51Å; F994-F997 HydrophobicContact CZ-CD1 3.51Å; F994-F997 AromaticContact CZ-CE1 3.97Å; F994-F997 HydrophobicContact CZ-CE1 3.97Å; F994-F997 WeakPolarHBondContact O-CB 3.43Å; F994-F997 PolarHBondContact O-N 3.06Å; S995-F997 VanDerWaalsContact C-N 3.26Å; S995-F997 PolarHBondContact O-N 2.8Å; F997-S999 VanDerWaalsContact C-N 3.26Å; F997-S999 PolarHBondContact O-N 3Å; F997-K1000 CarbonylContact O-C 3.17Å; F997-K1000 WeakPolarHBondContact O-CA 3.34Å; F997-K1000 WeakPolarHBondContact O-CB 3.43Å; F997-K1000 PolarHBondContact O-N 3.06Å; F997-V1001 HydrophobicContact CD1-CG2 3.72Å; F997-V1001 HydrophobicContact CE1-CG2 3.49Å; F997-V1001 VanDerWaalsContact CE1-CG2 3.49Å; F997-V1001 HydrophobicContact CZ-CG2 4.17Å; F997-V1001 PolarHBondContact O-N 2.89Å
998C85Confident84Confident13 Ų1370 Ų709%0.08837%0.373CS..Hα-helixtrans-48.6-47173177.10000112Y977 Y980 F994 K1000 V1001 K1002Y977-C998 WeakPolarHBondContact CD2-SG 3.17Å; Y977-C998 VanDerWaalsContact CE2-SG 3.59Å; Y980-C998 HydrophobicContact CD1-CB 3.98Å; Y980-C998 HydrophobicContact CE1-CB 4.04Å; F994-C998 HydrophobicContact CD1-CB 3.85Å; F994-C998 HydrophobicContact CE1-CB 3.89Å; F994-C998 WeakPolarHBondContact O-CB 3.31Å; F994-C998 PolarHBondContact O-N 3.46Å; C998-K1000 VanDerWaalsContact C-N 3.3Å; C998-K1000 PolarHBondContact O-N 3.47Å; C998-V1001 PolarHBondContact O-N 2.76Å; C998-K1002 PolarHBondContact O-N 2.74Å
999S84.4Confident83.9Confident65 Ų6566.5 Ų66.546%0.45535%0.348SS..Hα-helixtrans-61.6-34.8176.6-58.50000113.3S995 F997 N1003S995-S999 PolarHBondContact O-N 3.42Å; S995-S999 PolarHBondContact O-OG 3.45Å; S995-S999 VanDerWaalsContact O-OG 3.1Å; F997-S999 VanDerWaalsContact C-N 3.26Å; F997-S999 PolarHBondContact O-N 3Å; S999-N1003 VanDerWaalsContact O-CG 3.31Å; S999-N1003 PolarHBondContact O-N 3.14Å; S999-N1003 PolarHBondContact O-ND2 3.11Å
1000K83.4Confident83.9Confident71 Ų7167.2 Ų67.231%0.30935%0.353SS..Hα-helixtrans-76.8-39.1178.1-64.7171.4-173.3960111.3D996 F997 C998 N1003 T1004D996-K1000 WeakPolarHBondContact O-CD 3.33Å; D996-K1000 WeakPolarHBondContact O-CE 3.49Å; D996-K1000 VanDerWaalsContact O-CG 3.28Å; D996-K1000 WeakPolarHBondContact O-CG 3.35Å; D996-K1000 PolarHBondContact O-NZ 2.94Å; D996-K1000 IonicContact OD2-NZ 3.86Å; D996-K1000 PolarHBondContact OD2-NZ 3.35Å; F997-K1000 CarbonylContact O-C 3.17Å; F997-K1000 WeakPolarHBondContact O-CA 3.34Å; F997-K1000 WeakPolarHBondContact O-CB 3.43Å; F997-K1000 PolarHBondContact O-N 3.06Å; C998-K1000 VanDerWaalsContact C-N 3.3Å; C998-K1000 PolarHBondContact O-N 3.47Å; K1000-N1003 PolarHBondContact O-N 3.2Å; K1000-T1004 WeakPolarHBondContact O-CB 3.32Å; K1000-T1004 PolarHBondContact O-N 2.96Å; K1000-T1004 VanDerWaalsContact O-N 3.08Å; K1000-T1004 PolarHBondContact O-OG1 3.41Å
1001V84.9Confident84.1Confident8 Ų866.9 Ų66.95%0.04835%0.354CS..Hα-helixtrans-61.6-44.6173.21760000110.6L973 Y977 F997 C998 N1003 T1004 I1005L973-V1001 HydrophobicContact CB-CG1 4.29Å; L973-V1001 HydrophobicContact CD2-CG2 4.17Å; Y977-V1001 HydrophobicContact CG-CG1 4.47Å; F997-V1001 HydrophobicContact CD1-CG2 3.72Å; F997-V1001 HydrophobicContact CE1-CG2 3.49Å; F997-V1001 VanDerWaalsContact CE1-CG2 3.49Å; F997-V1001 HydrophobicContact CZ-CG2 4.17Å; F997-V1001 PolarHBondContact O-N 2.89Å; C998-V1001 PolarHBondContact O-N 2.76Å; V1001-N1003 PolarHBondContact O-N 3.27Å; V1001-T1004 PolarHBondContact O-N 3.3Å; V1001-I1005 HydrophobicContact CG1-CD1 4.12Å; V1001-I1005 PolarHBondContact O-N 3.12Å
1002K87.4Confident84.4Confident100 Ų10067 Ų6744%0.43535%0.351SS..Hα-helixtrans-54.8-50.4175-166-176.3179.71800111.9Y977 C998 T1004 Y1006 C1007Y977-K1002 HydrophobicContact CD2-CB 4.37Å; Y977-K1002 HydrophobicContact CE2-CB 3.7Å; Y977-K1002 HydrophobicContact CE2-CD 4.37Å; Y977-K1002 HydrophobicContact CE2-CG 4.06Å; C998-K1002 PolarHBondContact O-N 2.74Å; K1002-T1004 PolarHBondContact O-N 3.42Å; K1002-Y1006 CarbonylContact O-C 3.55Å; K1002-Y1006 WeakPolarHBondContact O-CA 3.26Å; K1002-Y1006 PolarHBondContact O-N 3.23Å; K1002-C1007 PolarHBondContact O-N 3.24Å
1003N84.7Confident84.7Confident115 Ų11563 Ų6362%0.61533%0.333SS*.Hα-helixtrans-69.7-11179.2-64.6-9000113.6S999 K1000 V1001 C1007 K1087S999-N1003 VanDerWaalsContact O-CG 3.31Å; S999-N1003 PolarHBondContact O-N 3.14Å; S999-N1003 PolarHBondContact O-ND2 3.11Å; K1000-N1003 PolarHBondContact O-N 3.2Å; V1001-N1003 PolarHBondContact O-N 3.27Å; N1003-C1007 PolarHBondContact O-SG 3.44Å; N1003-K1087 PolarHBondContact O-NZ 3.32Å
1004T81.5Confident85.2Confident50 Ų5057 Ų5731%0.30730%0.303SS..Hα-helixtrans-99.4-41.5-179.2-56.10000112.5K1000 V1001 K1002 K1087K1000-T1004 WeakPolarHBondContact O-CB 3.32Å; K1000-T1004 PolarHBondContact O-N 2.96Å; K1000-T1004 VanDerWaalsContact O-N 3.08Å; K1000-T1004 PolarHBondContact O-OG1 3.41Å; V1001-T1004 PolarHBondContact O-N 3.3Å; K1002-T1004 PolarHBondContact O-N 3.42Å; T1004-K1087 WeakPolarHBondContact O-CE 3.31Å; T1004-K1087 PolarHBondContact O-NZ 3.41Å
1005I85.1Confident85.5Confident17 Ų1759.5 Ų59.59%0.08732%0.317CS..THydrogen-bonded Turntrans-109.3-50.4-175.7-56.3-179.1000111.1R970 L973 A974 V1001 C1007 Q1140R970-I1005 HydrophobicContact CB-CD1 4.27Å; R970-I1005 VanDerWaalsContact O-CD1 3.27Å; R970-I1005 WeakPolarHBondContact O-CD1 2.87Å; L973-I1005 HydrophobicContact CB-CD1 3.88Å; A974-I1005 HydrophobicContact CB-CD1 4.1Å; A974-I1005 HydrophobicContact CB-CG2 4.36Å; V1001-I1005 HydrophobicContact CG1-CD1 4.12Å; V1001-I1005 PolarHBondContact O-N 3.12Å; I1005-C1007 VanDerWaalsContact C-N 3.31Å; I1005-C1007 PolarHBondContact O-N 2.98Å; I1005-Q1140 HydrophobicContact CG2-CB 4.24Å
1006Y85.2Confident85.7Confident48 Ų4860.6 Ų60.619%0.18832%0.316CS..SBendtrans-95.144.7-176-62.6-61.7000112.7R932 A974 Y977 D978 K1002 Q1140 L1143R932-Y1006 PolarHBondContact NH2-OH 3.26Å; A974-Y1006 HydrophobicContact CB-CE2 4.34Å; Y977-Y1006 AromaticContact CD1-CD2 3.55Å; Y977-Y1006 HydrophobicContact CD1-CD2 3.55Å; Y977-Y1006 AromaticContact CD1-CE2 3.31Å; Y977-Y1006 HydrophobicContact CD1-CE2 3.31Å; Y977-Y1006 AromaticContact CE1-CD2 3.64Å; Y977-Y1006 HydrophobicContact CE1-CD2 3.64Å; Y977-Y1006 AromaticContact CE1-CE2 3.77Å; Y977-Y1006 HydrophobicContact CE1-CE2 3.77Å; Y977-Y1006 HydrophobicContact CG-CD2 4.11Å; Y977-Y1006 HydrophobicContact CG-CE2 4.01Å; D978-Y1006 PolarHBondContact OD1-OH 3.49Å; K1002-Y1006 CarbonylContact O-C 3.55Å; K1002-Y1006 WeakPolarHBondContact O-CA 3.26Å; K1002-Y1006 PolarHBondContact O-N 3.23Å; Y1006-Q1140 PolarHBondContact OH-NE2 3.08Å; Y1006-L1143 HydrophobicContact CD1-CD2 3.83Å; Y1006-L1143 HydrophobicContact CE1-CD2 4.09Å
1007C84.9Confident86Confident35 Ų3566.1 Ų66.124%0.23633%0.329CS..SBendtrans-109.4129.7169.961.30000109.2K1002 N1003 I1005 V1009 K1087K1002-C1007 PolarHBondContact O-N 3.24Å; N1003-C1007 PolarHBondContact O-SG 3.44Å; I1005-C1007 VanDerWaalsContact C-N 3.31Å; I1005-C1007 PolarHBondContact O-N 2.98Å; C1007-V1009 PolarHBondContact O-N 3.04Å; C1007-K1087 PolarHBondContact SG-NZ 3.31Å
1008N82.7Confident86.5Confident118 Ų11866.3 Ų66.363%0.63133%0.328SS*.PPolyproline II helixtrans-52.1125.7177.2-60.251.5000110.5
1009V86.8Confident86.9Confident27 Ų2767.7 Ų67.716%0.16434%0.341CS..PPolyproline II helixtrans-94.2134.2173.9-177.70000108.8C1007 A1091 L1094 D1146 R1149C1007-V1009 PolarHBondContact O-N 3.04Å; V1009-A1091 HydrophobicContact CG1-CB 3.82Å; V1009-L1094 HydrophobicContact CB-CD2 4.14Å; V1009-L1094 HydrophobicContact CG1-CD2 4.13Å; V1009-L1094 WeakPolarHBondContact O-CD2 3.46Å; V1009-D1146 PolarHBondContact N-OD2 2.85Å; V1009-R1149 PolarHBondContact O-NH2 3.42Å
1010E88.7Confident87Confident120 Ų12067.4 Ų67.456%0.56134%0.337SS*.PPolyproline II helixtrans-93.3139.4169.4-70-58.8117.100110R1149E1010-R1149 IonicContact OE1-CZ 3.13Å; E1010-R1149 IonicContact OE1-NH1 2.73Å; E1010-R1149 PolarHBondContact OE1-NH1 3.35Å; E1010-R1149 IonicContact OE1-NH2 2.77Å; E1010-R1149 PolarHBondContact OE1-NH2 3.48Å
1011P90.8Very high87.4Confident23 Ų2371.3 Ų71.315%0.14936%0.357CS..PPolyproline II helixtrans-67.6135.8-175.726.6-33.9000111.8L1094 K1098 C1150P1011-L1094 HydrophobicContact CB-CD2 4.46Å; P1011-L1094 HydrophobicContact CB-CG 4.17Å; P1011-K1098 HydrophobicContact CB-CB 4.47Å; P1011-K1098 HydrophobicContact CB-CD 3.72Å; P1011-K1098 HydrophobicContact CG-CD 3.7Å; P1011-C1150 HydrophobicContact CG-CB 4.18Å
1012S90.8Very high87.7Confident20 Ų2073 Ų7314%0.1436%0.364CS..PPolyproline II helixtrans-68.8141.2173.4-175.70000112S1014 A1091 E1092 G1095S1012-S1014 WeakPolarHBondContact OG-CB 3.45Å; S1012-S1014 PolarHBondContact OG-N 2.92Å; S1012-S1014 PolarHBondContact OG-OG 3.43Å; S1012-A1091 WeakPolarHBondContact CB-O 3.31Å; S1012-A1091 PolarHBondContact N-O 3.01Å; S1012-E1092 VanDerWaalsContact CB-OE2 3.31Å; S1012-E1092 WeakPolarHBondContact CB-OE2 3.47Å; S1012-E1092 PolarHBondContact OG-OE2 3.07Å; S1012-G1095 WeakPolarHBondContact O-CA 3.48Å
1013E86.2Confident87.8Confident119 Ų11969.4 Ų69.456%0.55635%0.348SS*.  trans-110.127.7171.9-60-174.4160.300110.9N1015 K1098E1013-N1015 PolarHBondContact O-N 3.44Å; E1013-K1098 IonicContact OE1-NZ 3.22Å; E1013-K1098 PolarHBondContact OE1-NZ 2.9Å
1014S86.8Confident87.9Confident17 Ų1766 Ų6612%0.11933%0.33CS..  trans-50.4130178.1-81.70000112.5S1012 Y1052 E1092 F1111S1012-S1014 WeakPolarHBondContact OG-CB 3.45Å; S1012-S1014 PolarHBondContact OG-N 2.92Å; S1012-S1014 PolarHBondContact OG-OG 3.43Å; S1014-Y1052 VanDerWaalsContact O-CE2 3.24Å; S1014-Y1052 WeakPolarHBondContact O-CE2 3.28Å; S1014-E1092 WeakPolarHBondContact CB-OE2 3.5Å; S1014-E1092 PolarHBondContact OG-OE2 2.88Å; S1014-F1111 PolarHBondContact O-N 2.8Å
1015N88.3Confident88.1Confident66 Ų6669.7 Ų69.735%0.35335%0.348SS..  trans-138.365.5167.3-80.4-64.6000107.5E1013 G1110 F1111 N1112E1013-N1015 PolarHBondContact O-N 3.44Å; N1015-G1110 WeakPolarHBondContact ND2-CA 3.25Å; N1015-F1111 PolarHBondContact OD1-N 2.83Å; N1015-N1112 PolarHBondContact ND2-ND2 3.45Å; N1015-N1112 WeakPolarHBondContact OD1-CB 3.43Å; N1015-N1112 PolarHBondContact OD1-N 3.32Å; N1015-N1112 PolarHBondContact OD1-ND2 2.94Å
1016M89.6Confident88.2Confident81 Ų8169.4 Ų69.440%0.39935%0.347SS..  trans-84.4176.4179.3-60.2-65.599.300110.1W1018 A1049 Y1052M1016-W1018 PolarHBondContact O-N 3.05Å; M1016-A1049 HydrophobicContact CB-CB 4.22Å; M1016-Y1052 HydrophobicContact CB-CD1 3.72Å; M1016-Y1052 HydrophobicContact CB-CE1 4.39Å; M1016-Y1052 HydrophobicContact CB-CG 3.78Å; M1016-Y1052 HydrophobicContact CG-CG 4.32Å; M1016-Y1052 WeakPolarHBondContact O-CE1 3.46Å
1017R86.7Confident88.3Confident226 Ų22667.1 Ų67.185%0.85334%0.338SS*.  trans-72.2114.1172.3-177.2-179.9179-171.5-0.8109.7
1018W91.6Very high88.4Confident53 Ų5371.1 Ų71.120%0.20135%0.353CS..  trans-63.9138.3173.3-17632000112.1M1016 P1020 Y1052 C1056 N1057 M1060 D1113M1016-W1018 PolarHBondContact O-N 3.05Å; W1018-P1020 HydrophobicContact CD2-CG 4.08Å; W1018-P1020 HydrophobicContact CE3-CG 4.3Å; W1018-P1020 HydrophobicContact CH2-CG 4.24Å; W1018-P1020 HydrophobicContact CZ2-CB 4.21Å; W1018-P1020 HydrophobicContact CZ2-CG 4Å; W1018-P1020 HydrophobicContact CZ3-CG 4.38Å; W1018-Y1052 HydrophobicContact CB-CE1 4.1Å; W1018-C1056 HydrophobicContact CG-CB 4.44Å; W1018-N1057 PolarHBondContact NE1-OD1 3.28Å; W1018-M1060 HydrophobicContact CH2-CG 4.48Å; W1018-M1060 HydrophobicContact CZ2-CG 4.18Å; W1018-D1113 HydrophobicContact CB-CB 4.05Å; W1018-D1113 HydrophobicContact CD2-CB 4.25Å; W1018-D1113 HydrophobicContact CE3-CB 3.94Å; W1018-D1113 HydrophobicContact CG-CB 4.33Å
1019A93.4Very high88.4Confident42 Ų4269.2 Ų69.235%0.34734%0.343SS..  trans-124.498.3171.500000110.4E1021 F1022 S1053 N1057A1019-E1021 VanDerWaalsContact C-N 3.32Å; A1019-E1021 PolarHBondContact O-N 3.17Å; A1019-F1022 HydrophobicContact CB-CB 4.12Å; A1019-F1022 VanDerWaalsContact O-CB 3.29Å; A1019-F1022 WeakPolarHBondContact O-CB 3.32Å; A1019-F1022 PolarHBondContact O-N 2.86Å; A1019-F1022 VanDerWaalsContact O-N 3.08Å; A1019-S1053 PolarHBondContact N-OG 2.82Å; A1019-N1057 PolarHBondContact O-ND2 2.86Å
1020P87.7Confident88.1Confident60 Ų6068.5 Ų68.539%0.3934%0.339SS..THydrogen-bonded Turntrans-57.5-37.7-175.2-28.736000114.8W1018 F1022 N1057W1018-P1020 HydrophobicContact CD2-CG 4.08Å; W1018-P1020 HydrophobicContact CE3-CG 4.3Å; W1018-P1020 HydrophobicContact CH2-CG 4.24Å; W1018-P1020 HydrophobicContact CZ2-CB 4.21Å; W1018-P1020 HydrophobicContact CZ2-CG 4Å; W1018-P1020 HydrophobicContact CZ3-CG 4.38Å; P1020-F1022 PolarHBondContact O-N 2.92Å; P1020-N1057 PolarHBondContact O-ND2 3.05Å; P1020-N1057 PolarHBondContact O-OD1 3.45Å
1021E91Very high87.4Confident153 Ų15364.5 Ų64.572%0.71533%0.326SS*.THydrogen-bonded Turntrans-71.9-8.2179.8-49.8-60.2154.400113.9A1019 M1023 I1024A1019-E1021 VanDerWaalsContact C-N 3.32Å; A1019-E1021 PolarHBondContact O-N 3.17Å; E1021-M1023 PolarHBondContact O-N 2.69Å; E1021-M1023 VanDerWaalsContact O-N 3.16Å; E1021-I1024 PolarHBondContact O-N 2.81Å
1022F91.7Very high86.3Confident44 Ų4463.9 Ų63.919%0.19332%0.323CS..THydrogen-bonded Turntrans-71114.2-170.6-175.4-99.7000112.3A1019 P1020 I1024 L1044 N1050 F1054 N1057A1019-F1022 HydrophobicContact CB-CB 4.12Å; A1019-F1022 VanDerWaalsContact O-CB 3.29Å; A1019-F1022 WeakPolarHBondContact O-CB 3.32Å; A1019-F1022 PolarHBondContact O-N 2.86Å; A1019-F1022 VanDerWaalsContact O-N 3.08Å; P1020-F1022 PolarHBondContact O-N 2.92Å; F1022-I1024 PolarHBondContact O-N 3.25Å; F1022-L1044 HydrophobicContact CE1-CD2 4.02Å; F1022-N1050 HydrophobicContact CE1-CB 3.83Å; F1022-N1050 WeakPolarHBondContact CE1-O 3.35Å; F1022-N1050 HydrophobicContact CE2-CB 4.18Å; F1022-N1050 HydrophobicContact CZ-CB 3.53Å; F1022-N1050 VanDerWaalsContact CZ-CG 3.5Å; F1022-F1054 HydrophobicContact CD1-CB 4.15Å; F1022-F1054 HydrophobicContact CE1-CB 4.09Å; F1022-N1057 PolarHBondContact O-ND2 3.1Å
1023M89.1Confident85Confident23 Ų2370.7 Ų70.711%0.11335%0.352CS..THydrogen-bonded Turntrans58.624.7-175.9-63.2-18054.700114.3E1021 D1025 T1026 L1027 L1040 L1044 F1054 L1082E1021-M1023 PolarHBondContact O-N 2.69Å; E1021-M1023 VanDerWaalsContact O-N 3.16Å; M1023-D1025 PolarHBondContact O-N 2.89Å; M1023-T1026 HydrophobicContact CE-CG2 4.24Å; M1023-T1026 VanDerWaalsContact O-CB 3.32Å; M1023-T1026 WeakPolarHBondContact O-CB 3.28Å; M1023-T1026 PolarHBondContact O-N 2.94Å; M1023-T1026 VanDerWaalsContact O-N 3.1Å; M1023-L1027 PolarHBondContact O-N 3.26Å; M1023-L1040 HydrophobicContact CE-CB 4.28Å; M1023-L1040 HydrophobicContact CE-CD1 3.92Å; M1023-L1040 HydrophobicContact CE-CD2 3.99Å; M1023-L1040 HydrophobicContact CE-CG 4.29Å; M1023-L1040 HydrophobicContact SD-CD2 4.27Å; M1023-L1044 HydrophobicContact SD-CD1 4.33Å; M1023-L1044 HydrophobicContact SD-CD2 4.42Å; M1023-F1054 HydrophobicContact CB-CD2 4.45Å; M1023-F1054 HydrophobicContact CE-CD2 4.11Å; M1023-F1054 HydrophobicContact CE-CE2 4.1Å; M1023-F1054 HydrophobicContact SD-CD2 4.15Å; M1023-L1082 HydrophobicContact CE-CD1 3.82Å
1024I87.2Confident83.7Confident44 Ų4470.9 Ų70.923%0.22636%0.362CS..Hα-helixtrans-63.8-40.6-177.3-161.1161.4000112E1021 F1022 T1026 L1027 E1028E1021-I1024 PolarHBondContact O-N 2.81Å; F1022-I1024 PolarHBondContact O-N 3.25Å; I1024-T1026 PolarHBondContact O-N 3.46Å; I1024-T1026 VanDerWaalsContact O-N 3.09Å; I1024-L1027 CarbonylContact O-C 3.21Å; I1024-L1027 WeakPolarHBondContact O-CA 3.18Å; I1024-L1027 PolarHBondContact O-N 3.13Å; I1024-E1028 HydrophobicContact CG1-CG 4.28Å; I1024-E1028 WeakPolarHBondContact O-CG 3.48Å; I1024-E1028 PolarHBondContact O-N 3.32Å
1025D85.8Confident82.8Confident128 Ų12872.3 Ų72.368%0.68437%0.366SS*.Hα-helixtrans-50.1-37.8172-53.5-22.1000112.9M1023 N1029M1023-D1025 PolarHBondContact O-N 2.89Å; D1025-N1029 PolarHBondContact O-N 3.13Å
1026T86.4Confident82.2Confident10 Ų1074.2 Ų74.26%0.06138%0.38CS..Hα-helixtrans-74.6-28.3180-40.30000112M1023 I1024 P1030 F1035 L1040 L1078M1023-T1026 HydrophobicContact CE-CG2 4.24Å; M1023-T1026 VanDerWaalsContact O-CB 3.32Å; M1023-T1026 WeakPolarHBondContact O-CB 3.28Å; M1023-T1026 PolarHBondContact O-N 2.94Å; M1023-T1026 VanDerWaalsContact O-N 3.1Å; I1024-T1026 PolarHBondContact O-N 3.46Å; I1024-T1026 VanDerWaalsContact O-N 3.09Å; T1026-P1030 VanDerWaalsContact O-CA 3.26Å; T1026-P1030 WeakPolarHBondContact O-CA 3.13Å; T1026-F1035 HydrophobicContact CG2-CD2 4Å; T1026-F1035 HydrophobicContact CG2-CE1 4.25Å; T1026-F1035 HydrophobicContact CG2-CE2 3.6Å; T1026-F1035 HydrophobicContact CG2-CG 4.49Å; T1026-F1035 HydrophobicContact CG2-CZ 3.73Å; T1026-L1040 HydrophobicContact CG2-CD1 4.38Å; T1026-L1078 HydrophobicContact CG2-CD1 4.06Å; T1026-L1078 HydrophobicContact CG2-CD2 3.93Å; T1026-L1078 VanDerWaalsContact O-CD2 3.3Å; T1026-L1078 WeakPolarHBondContact O-CD2 3.5Å
1027L88.1Confident81.7Confident0 Ų073.3 Ų73.30%037%0.372CS..Hα-helixtrans-91.9-15.9177.4-64.9167.4000112.8M1023 I1024 F1054 N1057 A1058 R1071 I1075 L1078M1023-L1027 PolarHBondContact O-N 3.26Å; I1024-L1027 CarbonylContact O-C 3.21Å; I1024-L1027 WeakPolarHBondContact O-CA 3.18Å; I1024-L1027 PolarHBondContact O-N 3.13Å; L1027-F1054 HydrophobicContact CD2-CE2 4.17Å; L1027-N1057 HydrophobicContact CD1-CB 3.62Å; L1027-A1058 HydrophobicContact CD1-CB 4.38Å; L1027-A1058 HydrophobicContact CD2-CB 4.01Å; L1027-R1071 PolarHBondContact O-NH2 3Å; L1027-I1075 HydrophobicContact CD2-CG2 4.23Å; L1027-L1078 HydrophobicContact CD2-CD2 4.02Å
1028E86.2Confident81.2Confident119 Ų11965.3 Ų65.356%0.55635%0.349SS*.Hα-helixtrans-78.4-38.9168.5-66-138125.100112.6I1024I1024-E1028 HydrophobicContact CG1-CG 4.28Å; I1024-E1028 WeakPolarHBondContact O-CG 3.48Å; I1024-E1028 PolarHBondContact O-N 3.32Å
1029N84.1Confident80.8Confident78 Ų7865 Ų6542%0.41736%0.362SS..SBendtrans-129.267.2177-163.9-7.5000112.3D1025 A1031 A1032D1025-N1029 PolarHBondContact O-N 3.13Å; N1029-A1031 PolarHBondContact O-N 2.97Å; N1029-A1032 HydrophobicContact CB-CB 4.29Å; N1029-A1032 PolarHBondContact O-N 3.44Å; N1029-A1032 VanDerWaalsContact O-N 3.13Å; N1029-A1032 PolarHBondContact OD1-N 2.77Å
1030P80.9Confident80.4Confident12 Ų1264.7 Ų64.78%0.07836%0.355CS..THydrogen-bonded Turntrans-63.8-21.8-175.827.8-37.6000113.9T1026 D1074 I1075 L1078T1026-P1030 VanDerWaalsContact O-CA 3.26Å; T1026-P1030 WeakPolarHBondContact O-CA 3.13Å; P1030-D1074 HydrophobicContact CB-CB 4.15Å; P1030-D1074 HydrophobicContact CG-CB 3.71Å; P1030-I1075 HydrophobicContact CB-CG1 4.36Å; P1030-I1075 HydrophobicContact CG-CG1 4.05Å; P1030-L1078 HydrophobicContact CB-CB 4.29Å; P1030-L1078 HydrophobicContact CB-CD2 3.8Å
1031A72.9Confident80.3Confident37 Ų3761.9 Ų61.931%0.30634%0.336SS..THydrogen-bonded Turntrans-79.7-18.3177.700000113.6N1029 H1033N1029-A1031 PolarHBondContact O-N 2.97Å; A1031-H1033 PolarHBondContact O-CE1 2.83Å; A1031-H1033 VanDerWaalsContact O-CE1 3.27Å; A1031-H1033 PolarHBondContact O-N 2.88Å; A1031-H1033 PolarHBondContact O-ND1 3.29Å
1032A68.1Low80Confident9 Ų958.9 Ų58.97%0.07432%0.321CS..  trans-71.1114.7-176.900000111.9N1029 T1034 F1035N1029-A1032 HydrophobicContact CB-CB 4.29Å; N1029-A1032 PolarHBondContact O-N 3.44Å; N1029-A1032 VanDerWaalsContact O-N 3.13Å; N1029-A1032 PolarHBondContact OD1-N 2.77Å; A1032-T1034 PolarHBondContact O-N 2.7Å; A1032-F1035 HydrophobicContact CB-CZ 4.29Å; A1032-F1035 WeakPolarHBondContact O-CE2 3.07Å; A1032-F1035 WeakPolarHBondContact O-CZ 3.44Å
1033H62.7Low79.8Confident164 Ų16459.1 Ų59.176%0.75933%0.328SS*.THydrogen-bonded Turntrans-76.829.7-178.9-58.3-6.6000113.9A1031A1031-H1033 PolarHBondContact O-CE1 2.83Å; A1031-H1033 VanDerWaalsContact O-CE1 3.27Å; A1031-H1033 PolarHBondContact O-N 2.88Å; A1031-H1033 PolarHBondContact O-ND1 3.29Å
1034T60.3Low79.9Confident122 Ų12258 Ų5875%0.74832%0.322SS*.THydrogen-bonded Turntrans-86.6-4.2-173.338.40000114.7A1032A1032-T1034 PolarHBondContact O-N 2.7Å
1035F67.6Low79.9Confident48 Ų4858.3 Ų58.321%0.21133%0.328CS..SBendtrans-127.3139.3-176.420.7-102.6000113.1T1026 A1032 Y1037 L1040T1026-F1035 HydrophobicContact CG2-CD2 4Å; T1026-F1035 HydrophobicContact CG2-CE1 4.25Å; T1026-F1035 HydrophobicContact CG2-CE2 3.6Å; T1026-F1035 HydrophobicContact CG2-CG 4.49Å; T1026-F1035 HydrophobicContact CG2-CZ 3.73Å; A1032-F1035 HydrophobicContact CB-CZ 4.29Å; A1032-F1035 WeakPolarHBondContact O-CE2 3.07Å; A1032-F1035 WeakPolarHBondContact O-CZ 3.44Å; F1035-Y1037 PolarHBondContact O-N 3.17Å; F1035-L1040 HydrophobicContact CB-CD1 4.1Å; F1035-L1040 HydrophobicContact CD2-CD1 4.34Å; F1035-L1040 HydrophobicContact CG-CD1 4.41Å
1036T75.5Confident80Confident106 Ų10659.7 Ų59.765%0.6533%0.331SS*.  trans-83.8108.5-176.6-35.20000111.4T1038 G1039 L1040T1036-T1038 WeakPolarHBondContact CG2-OG1 3.4Å; T1036-T1038 PolarHBondContact O-N 3.49Å; T1036-T1038 VanDerWaalsContact O-N 3.11Å; T1036-G1039 PolarHBondContact O-N 3.1Å; T1036-L1040 PolarHBondContact O-N 3.26Å
1037Y77.8Confident80.2Confident61 Ų6162.2 Ų62.224%0.23934%0.344CS..Hα-helixtrans-52.1-35.9-177.3-63.2-73000114.5F1035 G1039 L1040 G1041 L1078 E1081 L1082 Y1085F1035-Y1037 PolarHBondContact O-N 3.17Å; Y1037-G1039 VanDerWaalsContact C-N 3.3Å; Y1037-G1039 PolarHBondContact O-N 2.99Å; Y1037-L1040 PolarHBondContact O-N 3.3Å; Y1037-G1041 PolarHBondContact O-N 3.23Å; Y1037-L1078 HydrophobicContact CD1-CD1 4.48Å; Y1037-L1078 HydrophobicContact CE1-CD1 3.84Å; Y1037-E1081 HydrophobicContact CD1-CB 4.13Å; Y1037-E1081 HydrophobicContact CE1-CB 4.21Å; Y1037-L1082 HydrophobicContact CD1-CD2 4.28Å; Y1037-Y1085 VanDerWaalsContact CB-CE2 3.43Å; Y1037-Y1085 HydrophobicContact CG-CE2 4.35Å
1038T78.1Confident80.4Confident59 Ų5965 Ų6536%0.36236%0.362SS..Hα-helixtrans-64.1-30.6177.951.20000113.6T1036 K1042 Y1085T1036-T1038 WeakPolarHBondContact CG2-OG1 3.4Å; T1036-T1038 PolarHBondContact O-N 3.49Å; T1036-T1038 VanDerWaalsContact O-N 3.11Å; T1038-K1042 WeakPolarHBondContact O-CG 3.47Å; T1038-K1042 PolarHBondContact O-N 2.76Å; T1038-Y1085 HydrophobicContact CG2-CD1 3.86Å; T1038-Y1085 HydrophobicContact CG2-CE1 3.48Å; T1038-Y1085 VanDerWaalsContact CG2-CE1 3.48Å
1039G81.9Confident80.7Confident46 Ų4660.8 Ų60.847%0.47435%0.348SS..Hα-helixtrans-75.8-45.2175.600000112T1036 Y1037 K1042 S1043T1036-G1039 PolarHBondContact O-N 3.1Å; Y1037-G1039 VanDerWaalsContact C-N 3.3Å; Y1037-G1039 PolarHBondContact O-N 2.99Å; G1039-K1042 PolarHBondContact O-N 3.04Å; G1039-S1043 PolarHBondContact O-N 3.03Å; G1039-S1043 VanDerWaalsContact O-N 3.13Å
1040L85.9Confident81.2Confident36 Ų3658.6 Ų58.619%0.18834%0.336CS..Hα-helixtrans-63.2-44.7175.8-65176000111.5M1023 T1026 F1035 T1036 Y1037 K1042 S1043 L1044 L1082M1023-L1040 HydrophobicContact CE-CB 4.28Å; M1023-L1040 HydrophobicContact CE-CD1 3.92Å; M1023-L1040 HydrophobicContact CE-CD2 3.99Å; M1023-L1040 HydrophobicContact CE-CG 4.29Å; M1023-L1040 HydrophobicContact SD-CD2 4.27Å; T1026-L1040 HydrophobicContact CG2-CD1 4.38Å; F1035-L1040 HydrophobicContact CB-CD1 4.1Å; F1035-L1040 HydrophobicContact CD2-CD1 4.34Å; F1035-L1040 HydrophobicContact CG-CD1 4.41Å; T1036-L1040 PolarHBondContact O-N 3.26Å; Y1037-L1040 PolarHBondContact O-N 3.3Å; L1040-K1042 VanDerWaalsContact C-N 3.27Å; L1040-K1042 PolarHBondContact O-N 3.04Å; L1040-S1043 WeakPolarHBondContact O-CB 3.37Å; L1040-S1043 PolarHBondContact O-N 3.01Å; L1040-L1044 WeakPolarHBondContact O-CG 3.33Å; L1040-L1044 PolarHBondContact O-N 2.68Å; L1040-L1082 HydrophobicContact CB-CD2 3.59Å; L1040-L1082 HydrophobicContact CD1-CD2 4.35Å
1041G84.9Confident81.8Confident0 Ų059.2 Ų59.20%034%0.337CS..Hα-helixtrans-57.7-35.5176.500000113.6Y1037 L1044 S1045Y1037-G1041 PolarHBondContact O-N 3.23Å; G1041-L1044 PolarHBondContact O-N 3.14Å; G1041-S1045 WeakPolarHBondContact O-CB 3.49Å; G1041-S1045 PolarHBondContact O-N 3.01Å; G1041-S1045 PolarHBondContact O-OG 3.28Å
1042K84.4Confident82.8Confident90 Ų9057.5 Ų57.539%0.39132%0.322SS..Hα-helixtrans-73.4-42.4175.1-74.6177.7179.3177.40113D964 T1038 G1039 L1040 L1044 S1045 E1046D964-K1042 WeakPolarHBondContact OD2-CE 3.46Å; D964-K1042 IonicContact OD2-NZ 2.63Å; D964-K1042 PolarHBondContact OD2-NZ 2.74Å; T1038-K1042 WeakPolarHBondContact O-CG 3.47Å; T1038-K1042 PolarHBondContact O-N 2.76Å; G1039-K1042 PolarHBondContact O-N 3.04Å; L1040-K1042 VanDerWaalsContact C-N 3.27Å; L1040-K1042 PolarHBondContact O-N 3.04Å; K1042-L1044 PolarHBondContact O-N 3.05Å; K1042-S1045 PolarHBondContact O-N 3.32Å; K1042-S1045 VanDerWaalsContact O-N 3.15Å; K1042-S1045 PolarHBondContact O-OG 2.93Å; K1042-E1046 WeakPolarHBondContact O-CB 3.15Å; K1042-E1046 WeakPolarHBondContact O-CG 3.42Å; K1042-E1046 PolarHBondContact O-N 3.45Å
1043S88.2Confident84.1Confident49 Ų4957.2 Ų57.234%0.34332%0.319SS..Hα-helixtrans-56.9-30.9171.3-174.90000112.9G1039 L1040 N1050G1039-S1043 PolarHBondContact O-N 3.03Å; G1039-S1043 VanDerWaalsContact O-N 3.13Å; L1040-S1043 WeakPolarHBondContact O-CB 3.37Å; L1040-S1043 PolarHBondContact O-N 3.01Å; S1043-N1050 PolarHBondContact O-ND2 2.8Å; S1043-N1050 PolarHBondContact OG-ND2 3.26Å
1044L91.4Very high85.7Confident0 Ų049.4 Ų49.40%028%0.283CS..Hα-helixtrans-82.8-38.7174.9-68.3164.4000112.8F1022 M1023 L1040 G1041 K1042 N1050 R1051 F1054 L1082 C1086 L1089F1022-L1044 HydrophobicContact CE1-CD2 4.02Å; M1023-L1044 HydrophobicContact SD-CD1 4.33Å; M1023-L1044 HydrophobicContact SD-CD2 4.42Å; L1040-L1044 WeakPolarHBondContact O-CG 3.33Å; L1040-L1044 PolarHBondContact O-N 2.68Å; G1041-L1044 PolarHBondContact O-N 3.14Å; K1042-L1044 PolarHBondContact O-N 3.05Å; L1044-N1050 HydrophobicContact CD2-CB 4.3Å; L1044-R1051 HydrophobicContact CB-CG 4.2Å; L1044-R1051 HydrophobicContact CD2-CG 4.33Å; L1044-R1051 VanDerWaalsContact O-CD 3.25Å; L1044-R1051 WeakPolarHBondContact O-CD 3.44Å; L1044-R1051 WeakPolarHBondContact O-CG 3.48Å; L1044-R1051 PolarHBondContact O-NH1 3.21Å; L1044-F1054 HydrophobicContact CD1-CD1 4.35Å; L1044-F1054 HydrophobicContact CD2-CB 3.76Å; L1044-F1054 HydrophobicContact CD2-CD1 4.22Å; L1044-F1054 HydrophobicContact CD2-CG 4.05Å; L1044-L1082 HydrophobicContact CD1-CB 4.26Å; L1044-L1082 HydrophobicContact CD1-CD1 4.28Å; L1044-L1082 HydrophobicContact CD1-CD2 4.2Å; L1044-L1082 HydrophobicContact CD1-CG 4.49Å; L1044-C1086 HydrophobicContact CB-CB 4.23Å; L1044-L1089 HydrophobicContact CD1-CD1 4.33Å
1045S86.6Confident87.4Confident50 Ų5043.6 Ų43.635%0.3525%0.248SC..Hα-helixtrans-70.3-38-179.5690000112.3G1041 K1042 R1051 C1086G1041-S1045 WeakPolarHBondContact O-CB 3.49Å; G1041-S1045 PolarHBondContact O-N 3.01Å; G1041-S1045 PolarHBondContact O-OG 3.28Å; K1042-S1045 PolarHBondContact O-N 3.32Å; K1042-S1045 VanDerWaalsContact O-N 3.15Å; K1042-S1045 PolarHBondContact O-OG 2.93Å; S1045-R1051 PolarHBondContact O-NH1 3.02Å; S1045-C1086 WeakPolarHBondContact CA-SG 3.49Å; S1045-C1086 PolarHBondContact N-SG 3.07Å; S1045-C1086 VanDerWaalsContact N-SG 3.43Å
1046E88.1Confident88.6Confident158 Ų15841.3 Ų41.374%0.73824%0.238SC*.Hα-helixtrans-73.8-28.8-177.9-68.4175.3-168.900114K1042K1042-E1046 WeakPolarHBondContact O-CB 3.15Å; K1042-E1046 WeakPolarHBondContact O-CG 3.42Å; K1042-E1046 PolarHBondContact O-N 3.45Å
1047N90.9Very high89.5Confident63 Ų6336.6 Ų36.634%0.33721%0.209SC..  trans-126.3112.3-173.5-175.8-3.4000113.8A1049 N1050 R1051N1047-A1049 VanDerWaalsContact C-N 3.34Å; N1047-A1049 PolarHBondContact O-N 3.38Å; N1047-A1049 PolarHBondContact OD1-N 3.2Å; N1047-N1050 HydrophobicContact CB-CB 4.02Å; N1047-N1050 VanDerWaalsContact ND2-CG 3.27Å; N1047-N1050 PolarHBondContact ND2-ND2 3.32Å; N1047-N1050 PolarHBondContact ND2-OD1 3.34Å; N1047-N1050 WeakPolarHBondContact O-CB 3.23Å; N1047-N1050 PolarHBondContact O-N 2.84Å; N1047-R1051 PolarHBondContact O-N 3.06Å
1048P91.2Very high90.3Very high58 Ų5833.7 Ų33.738%0.37720%0.197SC..Hα-helixtrans-58.9-35175.6-24.934.7000115.4N1050 R1051 Y1052P1048-N1050 VanDerWaalsContact C-N 3.32Å; P1048-N1050 PolarHBondContact O-N 2.72Å; P1048-R1051 PolarHBondContact O-N 3.47Å; P1048-Y1052 PolarHBondContact O-N 3.24Å
1049A93.2Very high91Very high31 Ų3130.9 Ų30.926%0.25618%0.18SC..Hα-helixtrans-70.9-29.5179.700000112.4M1016 N1047 S1053M1016-A1049 HydrophobicContact CB-CB 4.22Å; N1047-A1049 VanDerWaalsContact C-N 3.34Å; N1047-A1049 PolarHBondContact O-N 3.38Å; N1047-A1049 PolarHBondContact OD1-N 3.2Å; A1049-S1053 WeakPolarHBondContact O-CB 3.35Å; A1049-S1053 PolarHBondContact O-N 3.36Å; A1049-S1053 PolarHBondContact O-OG 3.41Å
1050N94.1Very high91.5Very high31 Ų3130.6 Ų30.617%0.16617%0.167CC..Hα-helixtrans-66.4-44.9171.6-72.71.7000110.5F1022 S1043 L1044 N1047 P1048 S1053 F1054F1022-N1050 HydrophobicContact CE1-CB 3.83Å; F1022-N1050 WeakPolarHBondContact CE1-O 3.35Å; F1022-N1050 HydrophobicContact CE2-CB 4.18Å; F1022-N1050 HydrophobicContact CZ-CB 3.53Å; F1022-N1050 VanDerWaalsContact CZ-CG 3.5Å; S1043-N1050 PolarHBondContact O-ND2 2.8Å; S1043-N1050 PolarHBondContact OG-ND2 3.26Å; L1044-N1050 HydrophobicContact CD2-CB 4.3Å; N1047-N1050 HydrophobicContact CB-CB 4.02Å; N1047-N1050 VanDerWaalsContact ND2-CG 3.27Å; N1047-N1050 PolarHBondContact ND2-ND2 3.32Å; N1047-N1050 PolarHBondContact ND2-OD1 3.34Å; N1047-N1050 WeakPolarHBondContact O-CB 3.23Å; N1047-N1050 PolarHBondContact O-N 2.84Å; P1048-N1050 VanDerWaalsContact C-N 3.32Å; P1048-N1050 PolarHBondContact O-N 2.72Å; N1050-S1053 PolarHBondContact O-N 3.15Å; N1050-F1054 VanDerWaalsContact O-CB 3.32Å; N1050-F1054 WeakPolarHBondContact O-CB 3.33Å; N1050-F1054 PolarHBondContact O-N 2.92Å
1051R94.1Very high91.7Very high26 Ų2630.5 Ų30.510%0.09817%0.165CC..Hα-helixtrans-61.2-49.2176.2-62.8-164.6-58.6-85.90.1112.3L1044 S1045 N1047 P1048 S1053 F1054 V1055 L1089 E1092L1044-R1051 HydrophobicContact CB-CG 4.2Å; L1044-R1051 HydrophobicContact CD2-CG 4.33Å; L1044-R1051 VanDerWaalsContact O-CD 3.25Å; L1044-R1051 WeakPolarHBondContact O-CD 3.44Å; L1044-R1051 WeakPolarHBondContact O-CG 3.48Å; L1044-R1051 PolarHBondContact O-NH1 3.21Å; S1045-R1051 PolarHBondContact O-NH1 3.02Å; N1047-R1051 PolarHBondContact O-N 3.06Å; P1048-R1051 PolarHBondContact O-N 3.47Å; R1051-S1053 VanDerWaalsContact C-N 3.3Å; R1051-S1053 PolarHBondContact O-N 3.43Å; R1051-F1054 PolarHBondContact O-N 3.42Å; R1051-V1055 WeakPolarHBondContact O-CB 3.42Å; R1051-V1055 VanDerWaalsContact O-CG2 3.31Å; R1051-V1055 WeakPolarHBondContact O-CG2 3.36Å; R1051-V1055 PolarHBondContact O-N 3.2Å; R1051-L1089 HydrophobicContact CB-CD2 3.86Å; R1051-L1089 HydrophobicContact CG-CD2 3.89Å; R1051-E1092 HydrophobicContact CB-CG 4.16Å; R1051-E1092 IonicContact CZ-OE1 3.71Å; R1051-E1092 VanDerWaalsContact CZ-OE1 3.28Å; R1051-E1092 IonicContact NE-OE1 2.81Å; R1051-E1092 PolarHBondContact NE-OE1 2.84Å; R1051-E1092 IonicContact NH2-OE1 4Å; R1051-E1092 PolarHBondContact NH2-OE1 3.17Å
1052Y94.8Very high92Very high0 Ų030.5 Ų30.50%017%0.166CC..Hα-helixtrans-55.7-46.9177.9-179.6-102.7000111.5S1014 M1016 W1018 P1048 V1055 C1056 F1111 D1113S1014-Y1052 VanDerWaalsContact O-CE2 3.24Å; S1014-Y1052 WeakPolarHBondContact O-CE2 3.28Å; M1016-Y1052 HydrophobicContact CB-CD1 3.72Å; M1016-Y1052 HydrophobicContact CB-CE1 4.39Å; M1016-Y1052 HydrophobicContact CB-CG 3.78Å; M1016-Y1052 HydrophobicContact CG-CG 4.32Å; M1016-Y1052 WeakPolarHBondContact O-CE1 3.46Å; W1018-Y1052 HydrophobicContact CB-CE1 4.1Å; P1048-Y1052 PolarHBondContact O-N 3.24Å; Y1052-V1055 PolarHBondContact O-N 3.36Å; Y1052-C1056 PolarHBondContact O-N 3.49Å; Y1052-C1056 PolarHBondContact O-SG 3.21Å; Y1052-F1111 AromaticContact CD2-CD1 3.69Å; Y1052-F1111 HydrophobicContact CD2-CD1 3.69Å; Y1052-F1111 AromaticContact CD2-CE1 3.52Å; Y1052-F1111 HydrophobicContact CD2-CE1 3.52Å; Y1052-F1111 HydrophobicContact CD2-CZ 4.24Å; Y1052-F1111 HydrophobicContact CE2-CB 4.4Å; Y1052-F1111 AromaticContact CE2-CD1 3.44Å; Y1052-F1111 HydrophobicContact CE2-CD1 3.44Å; Y1052-F1111 VanDerWaalsContact CE2-CD1 3.44Å; Y1052-F1111 AromaticContact CE2-CE1 3.78Å; Y1052-F1111 HydrophobicContact CE2-CE1 3.78Å; Y1052-F1111 AromaticContact CE2-CG 3.99Å; Y1052-F1111 HydrophobicContact CE2-CG 3.99Å; Y1052-D1113 VanDerWaalsContact CE1-OD2 3.32Å; Y1052-D1113 WeakPolarHBondContact CE1-OD2 3.35Å; Y1052-D1113 PolarHBondContact OH-OD2 3.07Å
1053S95.4Very high92.2Very high3 Ų326.5 Ų26.52%0.02115%0.149CC..Hα-helixtrans-66.2-44.6179.1-57.60000112.4A1019 A1049 N1050 R1051 V1055 C1056 N1057A1019-S1053 PolarHBondContact N-OG 2.82Å; A1049-S1053 WeakPolarHBondContact O-CB 3.35Å; A1049-S1053 PolarHBondContact O-N 3.36Å; A1049-S1053 PolarHBondContact O-OG 3.41Å; N1050-S1053 PolarHBondContact O-N 3.15Å; R1051-S1053 VanDerWaalsContact C-N 3.3Å; R1051-S1053 PolarHBondContact O-N 3.43Å; S1053-V1055 PolarHBondContact O-N 3.22Å; S1053-C1056 PolarHBondContact O-N 2.81Å; S1053-N1057 WeakPolarHBondContact O-CB 3.44Å; S1053-N1057 PolarHBondContact O-N 3.08Å; S1053-N1057 PolarHBondContact O-ND2 2.61Å; S1053-N1057 PolarHBondContact O-OD1 3.29Å
1054F95.6Very high91.8Very high0 Ų028.3 Ų28.30%016%0.158CC..Hα-helixtrans-59.2-45.5175.9172.9-109.3000112.5F1022 M1023 L1027 L1044 N1050 R1051 N1057 A1058 L1082 L1089 W1093F1022-F1054 HydrophobicContact CD1-CB 4.15Å; F1022-F1054 HydrophobicContact CE1-CB 4.09Å; M1023-F1054 HydrophobicContact CB-CD2 4.45Å; M1023-F1054 HydrophobicContact CE-CD2 4.11Å; M1023-F1054 HydrophobicContact CE-CE2 4.1Å; M1023-F1054 HydrophobicContact SD-CD2 4.15Å; L1027-F1054 HydrophobicContact CD2-CE2 4.17Å; L1044-F1054 HydrophobicContact CD1-CD1 4.35Å; L1044-F1054 HydrophobicContact CD2-CB 3.76Å; L1044-F1054 HydrophobicContact CD2-CD1 4.22Å; L1044-F1054 HydrophobicContact CD2-CG 4.05Å; N1050-F1054 VanDerWaalsContact O-CB 3.32Å; N1050-F1054 WeakPolarHBondContact O-CB 3.33Å; N1050-F1054 PolarHBondContact O-N 2.92Å; R1051-F1054 PolarHBondContact O-N 3.42Å; F1054-N1057 PolarHBondContact O-N 3.43Å; F1054-A1058 VanDerWaalsContact O-CB 3.31Å; F1054-A1058 WeakPolarHBondContact O-CB 3.37Å; F1054-A1058 PolarHBondContact O-N 3.41Å; F1054-L1082 HydrophobicContact CE1-CD1 4.15Å; F1054-L1082 HydrophobicContact CE2-CD1 3.76Å; F1054-L1082 HydrophobicContact CZ-CB 4.49Å; F1054-L1082 HydrophobicContact CZ-CD1 3.44Å; F1054-L1082 VanDerWaalsContact CZ-CD1 3.44Å; F1054-L1089 HydrophobicContact CD1-CD1 4.41Å; F1054-L1089 HydrophobicContact CD1-CD2 4.14Å; F1054-L1089 HydrophobicContact CE1-CD1 4.23Å; F1054-W1093 HydrophobicContact CD1-CZ2 4.47Å; F1054-W1093 HydrophobicContact CE1-CH2 4.11Å; F1054-W1093 AromaticContact CE1-CZ2 3.83Å; F1054-W1093 HydrophobicContact CE1-CZ2 3.83Å
1055V95.3Very high90.7Very high0 Ų029.4 Ų29.40%017%0.169CC..Hα-helixtrans-63.1-42.3177.9167.60000111.5R1051 Y1052 S1053 L1059 L1089 E1092 W1093 V1096 F1111R1051-V1055 WeakPolarHBondContact O-CB 3.42Å; R1051-V1055 VanDerWaalsContact O-CG2 3.31Å; R1051-V1055 WeakPolarHBondContact O-CG2 3.36Å; R1051-V1055 PolarHBondContact O-N 3.2Å; Y1052-V1055 PolarHBondContact O-N 3.36Å; S1053-V1055 PolarHBondContact O-N 3.22Å; V1055-L1059 HydrophobicContact CG1-CD1 4.38Å; V1055-L1059 PolarHBondContact O-N 3.15Å; V1055-L1059 VanDerWaalsContact O-N 3.15Å; V1055-L1089 HydrophobicContact CG2-CD2 3.93Å; V1055-E1092 HydrophobicContact CG2-CB 3.97Å; V1055-W1093 HydrophobicContact CB-CE3 4.4Å; V1055-W1093 HydrophobicContact CB-CH2 4.47Å; V1055-W1093 HydrophobicContact CB-CZ3 4.06Å; V1055-W1093 HydrophobicContact CG1-CE3 3.85Å; V1055-W1093 HydrophobicContact CG1-CZ3 3.81Å; V1055-W1093 HydrophobicContact CG2-CD2 4.23Å; V1055-W1093 HydrophobicContact CG2-CE3 3.97Å; V1055-W1093 HydrophobicContact CG2-CH2 3.99Å; V1055-W1093 HydrophobicContact CG2-CZ2 4.26Å; V1055-W1093 HydrophobicContact CG2-CZ3 3.84Å; V1055-V1096 HydrophobicContact CG1-CB 4.07Å; V1055-V1096 HydrophobicContact CG1-CG1 3.64Å; V1055-V1096 HydrophobicContact CG1-CG2 4.42Å; V1055-F1111 HydrophobicContact CB-CE1 4.4Å; V1055-F1111 HydrophobicContact CG1-CD1 4.4Å; V1055-F1111 HydrophobicContact CG1-CE1 3.82Å
1056C94.2Very high89.6Confident1 Ų135.4 Ų35.41%0.00719%0.191CC..Hα-helixtrans-64.8-46.2174.8-64.30000111.7W1018 Y1052 S1053 L1059 M1060W1018-C1056 HydrophobicContact CG-CB 4.44Å; Y1052-C1056 PolarHBondContact O-N 3.49Å; Y1052-C1056 PolarHBondContact O-SG 3.21Å; S1053-C1056 PolarHBondContact O-N 2.81Å; C1056-L1059 PolarHBondContact O-N 3.49Å; C1056-M1060 WeakPolarHBondContact O-CG 3.44Å; C1056-M1060 PolarHBondContact O-N 3.3Å
1057N93.8Very high88.7Confident6 Ų631.9 Ų31.93%0.03217%0.174CC..Hα-helixtrans-64.2-44.6-178.8-64.9-11.4000111.6W1018 A1019 P1020 F1022 L1027 S1053 F1054 L1059 M1060 H1061W1018-N1057 PolarHBondContact NE1-OD1 3.28Å; A1019-N1057 PolarHBondContact O-ND2 2.86Å; P1020-N1057 PolarHBondContact O-ND2 3.05Å; P1020-N1057 PolarHBondContact O-OD1 3.45Å; F1022-N1057 PolarHBondContact O-ND2 3.1Å; L1027-N1057 HydrophobicContact CD1-CB 3.62Å; S1053-N1057 WeakPolarHBondContact O-CB 3.44Å; S1053-N1057 PolarHBondContact O-N 3.08Å; S1053-N1057 PolarHBondContact O-ND2 2.61Å; S1053-N1057 PolarHBondContact O-OD1 3.29Å; F1054-N1057 PolarHBondContact O-N 3.43Å; N1057-L1059 PolarHBondContact O-N 2.76Å; N1057-M1060 PolarHBondContact O-N 3.27Å; N1057-H1061 PolarHBondContact O-CD2 3.36Å; N1057-H1061 VanDerWaalsContact O-CD2 3.25Å; N1057-H1061 PolarHBondContact O-N 3.48Å; N1057-H1061 VanDerWaalsContact O-N 3.12Å
1058A94.3Very high88.2Confident0 Ų032.5 Ų32.50%018%0.177CC..Hα-helixtrans-60.1-45.1176.900000111.7L1027 F1054 H1061 V1062 W1093L1027-A1058 HydrophobicContact CD1-CB 4.38Å; L1027-A1058 HydrophobicContact CD2-CB 4.01Å; F1054-A1058 VanDerWaalsContact O-CB 3.31Å; F1054-A1058 WeakPolarHBondContact O-CB 3.37Å; F1054-A1058 PolarHBondContact O-N 3.41Å; A1058-H1061 PolarHBondContact O-N 3.06Å; A1058-V1062 WeakPolarHBondContact O-CG2 3.4Å; A1058-V1062 PolarHBondContact O-N 3.39Å; A1058-V1062 VanDerWaalsContact O-N 3.14Å; A1058-W1093 HydrophobicContact CB-CH2 3.94Å; A1058-W1093 HydrophobicContact CB-CZ3 4.42Å
1059L93.4Very high87.6Confident1 Ų131.3 Ų31.31%0.00517%0.17CC..Hα-helixtrans-72.1-30.8178.1-74.8172.9000113.4V1055 C1056 N1057 H1061 V1062 C1063 W1093 V1096 L1100 L1114 L1129 F1132V1055-L1059 HydrophobicContact CG1-CD1 4.38Å; V1055-L1059 PolarHBondContact O-N 3.15Å; V1055-L1059 VanDerWaalsContact O-N 3.15Å; C1056-L1059 PolarHBondContact O-N 3.49Å; N1057-L1059 PolarHBondContact O-N 2.76Å; L1059-H1061 VanDerWaalsContact C-N 3.32Å; L1059-H1061 PolarHBondContact O-N 3.49Å; L1059-V1062 PolarHBondContact O-N 2.84Å; L1059-C1063 VanDerWaalsContact O-CB 3.32Å; L1059-C1063 WeakPolarHBondContact O-CB 3.39Å; L1059-C1063 PolarHBondContact O-N 3.03Å; L1059-C1063 PolarHBondContact O-SG 3.32Å; L1059-W1093 HydrophobicContact CG-CZ3 4.4Å; L1059-V1096 HydrophobicContact CD1-CB 4.13Å; L1059-V1096 HydrophobicContact CD1-CG1 3.43Å; L1059-V1096 VanDerWaalsContact CD1-CG1 3.43Å; L1059-V1096 HydrophobicContact CD1-CG2 3.54Å; L1059-L1100 HydrophobicContact CD1-CD1 4.32Å; L1059-L1114 HydrophobicContact CB-CD1 4.2Å; L1059-L1114 HydrophobicContact CB-CD2 3.93Å; L1059-L1114 HydrophobicContact CD1-CD2 3.82Å; L1059-L1129 HydrophobicContact CD2-CD1 3.62Å; L1059-F1132 HydrophobicContact CD2-CD1 4.21Å; L1059-F1132 HydrophobicContact CD2-CE1 3.94Å
1060M91.5Very high87.1Confident39 Ų3932.3 Ų32.319%0.19217%0.171CC..Hα-helixtrans-60.6-41.2169.8-76.1-61.9-64.800111.6W1018 C1056 N1057 V1062 V1064 G1065 L1114 N1117 V1118W1018-M1060 HydrophobicContact CH2-CG 4.48Å; W1018-M1060 HydrophobicContact CZ2-CG 4.18Å; C1056-M1060 WeakPolarHBondContact O-CG 3.44Å; C1056-M1060 PolarHBondContact O-N 3.3Å; N1057-M1060 PolarHBondContact O-N 3.27Å; M1060-V1062 PolarHBondContact O-N 3.02Å; M1060-V1064 HydrophobicContact CE-CB 4.16Å; M1060-V1064 HydrophobicContact CE-CG1 4.49Å; M1060-V1064 HydrophobicContact CE-CG2 3.73Å; M1060-V1064 WeakPolarHBondContact O-CA 3.48Å; M1060-V1064 WeakPolarHBondContact O-CB 3.43Å; M1060-V1064 PolarHBondContact O-N 2.78Å; M1060-V1064 HydrophobicContact SD-CG2 4.12Å; M1060-G1065 PolarHBondContact O-N 2.99Å; M1060-L1114 HydrophobicContact CG-CD1 3.82Å; M1060-L1114 HydrophobicContact SD-CD1 3.76Å; M1060-N1117 HydrophobicContact CE-CB 4.01Å; M1060-N1117 HydrophobicContact SD-CB 3.84Å; M1060-V1118 HydrophobicContact SD-CG2 3.75Å
1061H90.2Very high86.7Confident34 Ų3434.4 Ų34.416%0.15718%0.176CC..Hα-helixtrans-68.4-30.3174.3-75.6-71.8000113.7N1057 A1058 L1059 G1065 R1071 I1075N1057-H1061 PolarHBondContact O-CD2 3.36Å; N1057-H1061 VanDerWaalsContact O-CD2 3.25Å; N1057-H1061 PolarHBondContact O-N 3.48Å; N1057-H1061 VanDerWaalsContact O-N 3.12Å; A1058-H1061 PolarHBondContact O-N 3.06Å; L1059-H1061 VanDerWaalsContact C-N 3.32Å; L1059-H1061 PolarHBondContact O-N 3.49Å; H1061-G1065 WeakPolarHBondContact O-CA 3.47Å; H1061-G1065 PolarHBondContact O-N 3.07Å; H1061-R1071 PolarHBondContact ND1-NH2 3.44Å; H1061-I1075 HydrophobicContact CB-CD1 3.81Å
1062V90.6Very high86.6Confident1 Ų133.3 Ų33.31%0.00617%0.173CC..Hα-helixtrans-78.2-34.9176.2173.40000112.6A1058 L1059 M1060 I1075 L1129 F1132A1058-V1062 WeakPolarHBondContact O-CG2 3.4Å; A1058-V1062 PolarHBondContact O-N 3.39Å; A1058-V1062 VanDerWaalsContact O-N 3.14Å; L1059-V1062 PolarHBondContact O-N 2.84Å; M1060-V1062 PolarHBondContact O-N 3.02Å; V1062-I1075 HydrophobicContact CG2-CG2 4.1Å; V1062-L1129 HydrophobicContact CG1-CB 4.34Å; V1062-L1129 HydrophobicContact CG1-CD1 4.44Å; V1062-F1132 HydrophobicContact CG1-CB 4.17Å; V1062-F1132 HydrophobicContact CG1-CG 4.5Å; V1062-F1132 HydrophobicContact CG2-CD2 3.87Å; V1062-F1132 HydrophobicContact CG2-CE2 4.33Å; V1062-F1132 HydrophobicContact CG2-CG 4.25Å
1063C89Confident86.4Confident5 Ų533.7 Ų33.73%0.03418%0.175CC..Hα-helixtrans-94.1-35.9-174.2-55.20000113.8L1059 V1118 F1125L1059-C1063 VanDerWaalsContact O-CB 3.32Å; L1059-C1063 WeakPolarHBondContact O-CB 3.39Å; L1059-C1063 PolarHBondContact O-N 3.03Å; L1059-C1063 PolarHBondContact O-SG 3.32Å; C1063-V1118 HydrophobicContact CB-CG1 3.88Å; C1063-V1118 HydrophobicContact CB-CG2 4.03Å; C1063-F1125 HydrophobicContact CB-CB 4.42Å; C1063-F1125 HydrophobicContact CB-CD1 4.46Å; C1063-F1125 HydrophobicContact CB-CD2 3.89Å; C1063-F1125 HydrophobicContact CB-CE2 4.27Å; C1063-F1125 HydrophobicContact CB-CG 4Å; C1063-F1125 WeakPolarHBondContact O-CB 3.32Å
1064V80Confident86.2Confident88 Ų8836.7 Ų36.753%0.53319%0.191SC..THydrogen-bonded Turntrans-116.6-10.9-172.1-169.30000112.3M1060 V1118M1060-V1064 HydrophobicContact CE-CB 4.16Å; M1060-V1064 HydrophobicContact CE-CG1 4.49Å; M1060-V1064 HydrophobicContact CE-CG2 3.73Å; M1060-V1064 WeakPolarHBondContact O-CA 3.48Å; M1060-V1064 WeakPolarHBondContact O-CB 3.43Å; M1060-V1064 PolarHBondContact O-N 2.78Å; M1060-V1064 HydrophobicContact SD-CG2 4.12Å; V1064-V1118 HydrophobicContact CG2-CG2 4.21Å
1065G68.1Low86Confident23 Ų2336.7 Ų36.724%0.23719%0.191CC..SBendtrans-69.8168.8172.600000113.2M1060 H1061 H1067M1060-G1065 PolarHBondContact O-N 2.99Å; H1061-G1065 WeakPolarHBondContact O-CA 3.47Å; H1061-G1065 PolarHBondContact O-N 3.07Å; G1065-H1067 PolarHBondContact O-N 3.03Å
1066H63.6Low85.9Confident176 Ų17636.7 Ų36.782%0.81519%0.191SC*.  trans-54.5125.2165.9-71.8-94.9000109.2D1068H1066-D1068 PolarHBondContact O-N 3.44Å
1067H69.5Low85.8Confident84 Ų8439 Ų3939%0.38920%0.202SC..  trans-72.944.8-178.3-40-68.9000113.4G1065 P1069 S1124G1065-H1067 PolarHBondContact O-N 3.03Å; H1067-P1069 WeakPolarHBondContact O-CD 3.34Å; H1067-S1124 PolarHBondContact CE1-OG 2.99Å
1068D79.7Confident85.7Confident75 Ų7538.8 Ų38.840%0.40120%0.201SC..  trans-68117.4170.6174.512.6000109.3H1066 D1070 R1071 V1072H1066-D1068 PolarHBondContact O-N 3.44Å; D1068-D1070 PolarHBondContact O-N 3.06Å; D1068-D1070 PolarHBondContact OD1-N 3.43Å; D1068-R1071 HydrophobicContact CB-CB 4.31Å; D1068-R1071 PolarHBondContact O-N 3.42Å; D1068-V1072 WeakPolarHBondContact O-CG2 3.15Å; D1068-V1072 PolarHBondContact O-N 3.26Å
1069P79.1Confident85.8Confident34 Ų3438.8 Ų38.822%0.22120%0.201CC..Hα-helixtrans-61.1-30-179.125.7-35.3000113H1067 V1072 N1073 V1198H1067-P1069 WeakPolarHBondContact O-CD 3.34Å; P1069-V1072 PolarHBondContact O-N 2.93Å; P1069-N1073 PolarHBondContact O-N 2.87Å; P1069-N1073 VanDerWaalsContact O-N 3.1Å; P1069-N1073 PolarHBondContact O-ND2 3.06Å; P1069-V1198 HydrophobicContact CB-CB 4.32Å; P1069-V1198 HydrophobicContact CB-CG1 3.97Å; P1069-V1198 HydrophobicContact CB-CG2 4.18Å
1070D82.1Confident85.8Confident52 Ų5238.8 Ų38.828%0.27820%0.201SC..Hα-helixtrans-68-53.2-177.9-74.5-5.8000110D1068 V1072 N1073 D1074 R1201D1068-D1070 PolarHBondContact O-N 3.06Å; D1068-D1070 PolarHBondContact OD1-N 3.43Å; D1070-V1072 VanDerWaalsContact C-N 3.26Å; D1070-V1072 PolarHBondContact O-N 3.22Å; D1070-N1073 WeakPolarHBondContact O-CB 3.38Å; D1070-N1073 PolarHBondContact O-N 3.06Å; D1070-D1074 PolarHBondContact O-N 3.22Å; D1070-R1201 WeakPolarHBondContact OD1-CD 3.32Å; D1070-R1201 IonicContact OD1-CZ 3.49Å; D1070-R1201 IonicContact OD1-NE 3.59Å; D1070-R1201 PolarHBondContact OD1-NE 2.79Å; D1070-R1201 IonicContact OD1-NH1 2.73Å; D1070-R1201 PolarHBondContact OD1-NH1 3.04Å; D1070-R1201 IonicContact OD1-NH2 2.79Å; D1070-R1201 IonicContact OD2-CZ 2.61Å; D1070-R1201 VanDerWaalsContact OD2-CZ 3.25Å; D1070-R1201 IonicContact OD2-NH1 3.43Å; D1070-R1201 PolarHBondContact OD2-NH1 3.32Å; D1070-R1201 IonicContact OD2-NH2 2.76Å; D1070-R1201 PolarHBondContact OD2-NH2 3.26Å
1071R87.4Confident85.7Confident74 Ų7438 Ų3828%0.27920%0.197SC..Hα-helixtrans-58.6-34.5176.4-173.6170.6177.9172-4.7113.2L1027 H1061 D1068 D1074 I1075L1027-R1071 PolarHBondContact O-NH2 3Å; H1061-R1071 PolarHBondContact ND1-NH2 3.44Å; D1068-R1071 HydrophobicContact CB-CB 4.31Å; D1068-R1071 PolarHBondContact O-N 3.42Å; R1071-D1074 PolarHBondContact O-N 2.98Å; R1071-I1075 HydrophobicContact CG-CD1 3.88Å; R1071-I1075 HydrophobicContact CG-CG1 4.37Å; R1071-I1075 WeakPolarHBondContact O-CB 3.18Å; R1071-I1075 VanDerWaalsContact O-CG1 3.26Å; R1071-I1075 WeakPolarHBondContact O-CG1 3.36Å; R1071-I1075 PolarHBondContact O-N 2.73Å
1072V90.2Very high85.8Confident4 Ų436.4 Ų36.42%0.02419%0.19CC..Hα-helixtrans-67.3-40.2175.4172.80000111.8D1068 P1069 D1070 A1076 S1128 F1132 V1198D1068-V1072 WeakPolarHBondContact O-CG2 3.15Å; D1068-V1072 PolarHBondContact O-N 3.26Å; P1069-V1072 PolarHBondContact O-N 2.93Å; D1070-V1072 VanDerWaalsContact C-N 3.26Å; D1070-V1072 PolarHBondContact O-N 3.22Å; V1072-A1076 WeakPolarHBondContact O-CB 3.34Å; V1072-A1076 PolarHBondContact O-N 3.41Å; V1072-A1076 VanDerWaalsContact O-N 3.11Å; V1072-S1128 WeakPolarHBondContact CG1-O 2.98Å; V1072-F1132 HydrophobicContact CG1-CB 4.45Å; V1072-V1198 HydrophobicContact CG1-CG1 4.43Å
1073N91.4Very high85.8Confident7 Ų736.4 Ų36.44%0.03719%0.19CC..Hα-helixtrans-64-45.4174.7-82.5-109.8000110.7P1069 D1070 A1076 I1077 I1135 G1199 R1201P1069-N1073 PolarHBondContact O-N 2.87Å; P1069-N1073 VanDerWaalsContact O-N 3.1Å; P1069-N1073 PolarHBondContact O-ND2 3.06Å; D1070-N1073 WeakPolarHBondContact O-CB 3.38Å; D1070-N1073 PolarHBondContact O-N 3.06Å; N1073-A1076 WeakPolarHBondContact O-CB 3.34Å; N1073-A1076 PolarHBondContact O-N 3.01Å; N1073-I1077 WeakPolarHBondContact O-CG1 3.2Å; N1073-I1077 PolarHBondContact O-N 2.87Å; N1073-I1135 HydrophobicContact CB-CD1 4.24Å; N1073-G1199 PolarHBondContact ND2-O 3.05Å; N1073-R1201 PolarHBondContact OD1-N 2.87Å
1074D90.4Very high85.8Confident66 Ų6636.2 Ų36.235%0.35319%0.188SC..Hα-helixtrans-65.6-42.9-179-68-18.2000112.7P1030 D1070 R1071 A1076 I1077 L1078P1030-D1074 HydrophobicContact CB-CB 4.15Å; P1030-D1074 HydrophobicContact CG-CB 3.71Å; D1070-D1074 PolarHBondContact O-N 3.22Å; R1071-D1074 PolarHBondContact O-N 2.98Å; D1074-A1076 VanDerWaalsContact C-N 3.29Å; D1074-A1076 PolarHBondContact O-N 2.89Å; D1074-I1077 PolarHBondContact O-N 3.43Å; D1074-L1078 WeakPolarHBondContact O-CB 3.37Å; D1074-L1078 PolarHBondContact O-N 3.35Å
1075I92.2Very high86.1Confident1 Ų134 Ų341%0.00517%0.171CC..Hα-helixtrans-61.5-39174-69.4171.2000110.7L1027 P1030 H1061 V1062 R1071 C1079 F1132L1027-I1075 HydrophobicContact CD2-CG2 4.23Å; P1030-I1075 HydrophobicContact CB-CG1 4.36Å; P1030-I1075 HydrophobicContact CG-CG1 4.05Å; H1061-I1075 HydrophobicContact CB-CD1 3.81Å; V1062-I1075 HydrophobicContact CG2-CG2 4.1Å; R1071-I1075 HydrophobicContact CG-CD1 3.88Å; R1071-I1075 HydrophobicContact CG-CG1 4.37Å; R1071-I1075 WeakPolarHBondContact O-CB 3.18Å; R1071-I1075 VanDerWaalsContact O-CG1 3.26Å; R1071-I1075 WeakPolarHBondContact O-CG1 3.36Å; R1071-I1075 PolarHBondContact O-N 2.73Å; I1075-C1079 WeakPolarHBondContact O-CB 3.32Å; I1075-C1079 PolarHBondContact O-N 3.09Å; I1075-C1079 PolarHBondContact O-SG 3.05Å; I1075-F1132 HydrophobicContact CG2-CE2 4.14Å
1076A93.7Very high87.1Confident0 Ų033 Ų330%016%0.16CC..Hα-helixtrans-65.9-39.5176.900000112.5V1072 N1073 D1074 C1079 A1080 F1132 I1135V1072-A1076 WeakPolarHBondContact O-CB 3.34Å; V1072-A1076 PolarHBondContact O-N 3.41Å; V1072-A1076 VanDerWaalsContact O-N 3.11Å; N1073-A1076 WeakPolarHBondContact O-CB 3.34Å; N1073-A1076 PolarHBondContact O-N 3.01Å; D1074-A1076 VanDerWaalsContact C-N 3.29Å; D1074-A1076 PolarHBondContact O-N 2.89Å; A1076-C1079 PolarHBondContact O-N 3.38Å; A1076-A1080 WeakPolarHBondContact O-CB 3.2Å; A1076-A1080 PolarHBondContact O-N 3.28Å; A1076-F1132 HydrophobicContact CB-CD2 3.64Å; A1076-F1132 HydrophobicContact CB-CE2 4.21Å; A1076-F1132 HydrophobicContact CB-CG 4.39Å; A1076-I1135 HydrophobicContact CB-CB 3.77Å; A1076-I1135 HydrophobicContact CB-CD1 3.77Å; A1076-I1135 HydrophobicContact CB-CG1 4.37Å; A1076-I1135 HydrophobicContact CB-CG2 3.69Å
1077I92.3Very high88.2Confident48 Ų4828.4 Ų28.425%0.24614%0.138CC..Hα-helixtrans-67.8-44.4176.4-67.8162.6000110.9N1073 D1074 C1079 A1080 E1081 I1135N1073-I1077 WeakPolarHBondContact O-CG1 3.2Å; N1073-I1077 PolarHBondContact O-N 2.87Å; D1074-I1077 PolarHBondContact O-N 3.43Å; I1077-C1079 VanDerWaalsContact C-N 3.32Å; I1077-C1079 PolarHBondContact O-N 3.41Å; I1077-A1080 WeakPolarHBondContact O-CB 3.09Å; I1077-A1080 PolarHBondContact O-N 3.18Å; I1077-A1080 VanDerWaalsContact O-N 3.13Å; I1077-E1081 PolarHBondContact O-N 3.43Å; I1077-I1135 HydrophobicContact CG1-CG2 4.38Å
1078L91.9Very high89.1Confident3 Ų327.1 Ų27.12%0.01614%0.138CC..Hα-helixtrans-56.5-45.4172.3169.162.8000111.6T1026 L1027 P1030 Y1037 D1074 A1080 E1081 L1082T1026-L1078 HydrophobicContact CG2-CD1 4.06Å; T1026-L1078 HydrophobicContact CG2-CD2 3.93Å; T1026-L1078 VanDerWaalsContact O-CD2 3.3Å; T1026-L1078 WeakPolarHBondContact O-CD2 3.5Å; L1027-L1078 HydrophobicContact CD2-CD2 4.02Å; P1030-L1078 HydrophobicContact CB-CB 4.29Å; P1030-L1078 HydrophobicContact CB-CD2 3.8Å; Y1037-L1078 HydrophobicContact CD1-CD1 4.48Å; Y1037-L1078 HydrophobicContact CE1-CD1 3.84Å; D1074-L1078 WeakPolarHBondContact O-CB 3.37Å; D1074-L1078 PolarHBondContact O-N 3.35Å; L1078-A1080 VanDerWaalsContact C-N 3.32Å; L1078-A1080 PolarHBondContact O-N 3.34Å; L1078-E1081 PolarHBondContact O-N 2.95Å; L1078-L1082 HydrophobicContact CD1-CD1 3.71Å; L1078-L1082 HydrophobicContact CD1-CG 4.16Å; L1078-L1082 HydrophobicContact CG-CD1 4.14Å; L1078-L1082 WeakPolarHBondContact O-CG 3.42Å; L1078-L1082 PolarHBondContact O-N 2.98Å
1079C94.6Very high89.8Confident0 Ų023.6 Ų23.60%012%0.119CC..Hα-helixtrans-64.5-36.1176.6-70.40000112.1I1075 A1076 I1077 T1083 W1093 F1132 L1136I1075-C1079 WeakPolarHBondContact O-CB 3.32Å; I1075-C1079 PolarHBondContact O-N 3.09Å; I1075-C1079 PolarHBondContact O-SG 3.05Å; A1076-C1079 PolarHBondContact O-N 3.38Å; I1077-C1079 VanDerWaalsContact C-N 3.32Å; I1077-C1079 PolarHBondContact O-N 3.41Å; C1079-T1083 VanDerWaalsContact O-CB 3.24Å; C1079-T1083 WeakPolarHBondContact O-CB 3.23Å; C1079-T1083 PolarHBondContact O-N 2.95Å; C1079-T1083 PolarHBondContact O-OG1 3.47Å; C1079-W1093 HydrophobicContact CB-CH2 4.12Å; C1079-W1093 HydrophobicContact CB-CZ2 3.66Å; C1079-F1132 HydrophobicContact CB-CE2 4.01Å; C1079-F1132 HydrophobicContact CB-CZ 4.12Å; C1079-L1136 HydrophobicContact CB-CD2 4.12Å
1080A93.5Very high90.4Very high0 Ų022.4 Ų22.40%011%0.112CC..Hα-helixtrans-66.3-45.6175.300000112.3A1076 I1077 L1078 T1083 G1084 L1136 R1139A1076-A1080 WeakPolarHBondContact O-CB 3.2Å; A1076-A1080 PolarHBondContact O-N 3.28Å; I1077-A1080 WeakPolarHBondContact O-CB 3.09Å; I1077-A1080 PolarHBondContact O-N 3.18Å; I1077-A1080 VanDerWaalsContact O-N 3.13Å; L1078-A1080 VanDerWaalsContact C-N 3.32Å; L1078-A1080 PolarHBondContact O-N 3.34Å; A1080-T1083 PolarHBondContact O-N 3.14Å; A1080-G1084 PolarHBondContact O-N 3.38Å; A1080-L1136 HydrophobicContact CB-CD2 4.28Å; A1080-R1139 HydrophobicContact CB-CB 3.69Å; A1080-R1139 HydrophobicContact CB-CG 3.84Å
1081E90.5Very high91Very high24 Ų2421.2 Ų21.211%0.11211%0.11CC..Hα-helixtrans-62.8-46.5176.9-71.4-54.2147.800112.2S966 S967 Y1037 I1077 L1078 T1083 G1084 Y1085S966-E1081 WeakPolarHBondContact CA-OE2 3.22Å; S966-E1081 VanDerWaalsContact CB-OE2 3.25Å; S966-E1081 WeakPolarHBondContact CB-OE2 3.46Å; S967-E1081 VanDerWaalsContact CB-OE1 3.23Å; S967-E1081 WeakPolarHBondContact CB-OE1 3.42Å; S967-E1081 PolarHBondContact N-OE1 3.41Å; S967-E1081 PolarHBondContact N-OE2 3.2Å; S967-E1081 PolarHBondContact OG-OE1 2.83Å; Y1037-E1081 HydrophobicContact CD1-CB 4.13Å; Y1037-E1081 HydrophobicContact CE1-CB 4.21Å; I1077-E1081 PolarHBondContact O-N 3.43Å; L1078-E1081 PolarHBondContact O-N 2.95Å; E1081-T1083 VanDerWaalsContact C-N 3.28Å; E1081-T1083 PolarHBondContact O-N 3.45Å; E1081-G1084 WeakPolarHBondContact O-CA 3.24Å; E1081-G1084 PolarHBondContact O-N 3.31Å; E1081-Y1085 VanDerWaalsContact O-CD2 3.22Å; E1081-Y1085 WeakPolarHBondContact O-CD2 3.25Å; E1081-Y1085 PolarHBondContact O-N 3.18Å
1082L91.6Very high91.3Very high0 Ų018 Ų180%010%0.098CC..Hα-helixtrans-64.7-32.7176.1-68.3172.3000112.3M1023 Y1037 L1040 L1044 F1054 L1078 G1084 Y1085 C1086 L1089M1023-L1082 HydrophobicContact CE-CD1 3.82Å; Y1037-L1082 HydrophobicContact CD1-CD2 4.28Å; L1040-L1082 HydrophobicContact CB-CD2 3.59Å; L1040-L1082 HydrophobicContact CD1-CD2 4.35Å; L1044-L1082 HydrophobicContact CD1-CB 4.26Å; L1044-L1082 HydrophobicContact CD1-CD1 4.28Å; L1044-L1082 HydrophobicContact CD1-CD2 4.2Å; L1044-L1082 HydrophobicContact CD1-CG 4.49Å; F1054-L1082 HydrophobicContact CE1-CD1 4.15Å; F1054-L1082 HydrophobicContact CE2-CD1 3.76Å; F1054-L1082 HydrophobicContact CZ-CB 4.49Å; F1054-L1082 HydrophobicContact CZ-CD1 3.44Å; F1054-L1082 VanDerWaalsContact CZ-CD1 3.44Å; L1078-L1082 HydrophobicContact CD1-CD1 3.71Å; L1078-L1082 HydrophobicContact CD1-CG 4.16Å; L1078-L1082 HydrophobicContact CG-CD1 4.14Å; L1078-L1082 WeakPolarHBondContact O-CG 3.42Å; L1078-L1082 PolarHBondContact O-N 2.98Å; L1082-G1084 VanDerWaalsContact C-N 3.31Å; L1082-Y1085 PolarHBondContact O-N 3.4Å; L1082-C1086 WeakPolarHBondContact O-CB 3.25Å; L1082-C1086 PolarHBondContact O-N 2.85Å; L1082-L1089 HydrophobicContact CB-CD1 4.33Å
1083T91.7Very high91.6Very high0 Ų018 Ų180%010%0.097CC..Hα-helixtrans-70-29.3172.1-56.40000112R970 C1079 A1080 E1081 C1086 K1087 L1089 S1090 W1093 C1141R970-T1083 PolarHBondContact NH1-O 2.84Å; R970-T1083 PolarHBondContact NH2-O 3.21Å; C1079-T1083 VanDerWaalsContact O-CB 3.24Å; C1079-T1083 WeakPolarHBondContact O-CB 3.23Å; C1079-T1083 PolarHBondContact O-N 2.95Å; C1079-T1083 PolarHBondContact O-OG1 3.47Å; A1080-T1083 PolarHBondContact O-N 3.14Å; E1081-T1083 VanDerWaalsContact C-N 3.28Å; E1081-T1083 PolarHBondContact O-N 3.45Å; T1083-C1086 CarbonylContact O-C 3.56Å; T1083-C1086 PolarHBondContact O-N 3.31Å; T1083-K1087 PolarHBondContact O-N 2.97Å; T1083-L1089 HydrophobicContact CG2-CB 4.12Å; T1083-S1090 WeakPolarHBondContact CG2-OG 3.46Å; T1083-W1093 PolarHBondContact OG1-NE1 2.78Å; T1083-C1141 HydrophobicContact CG2-CB 3.75Å
1084G87.5Confident91.7Very high1 Ų117.6 Ų17.61%0.0110%0.095CC..Hα-helixtrans-52.5-62.4166.600000112G965 R970 A1080 E1081 L1082 C1086G965-G1084 CarbonylContact O-C 3.49Å; G965-G1084 WeakPolarHBondContact O-CA 3.49Å; G965-G1084 VanDerWaalsContact O-O 3.1Å; R970-G1084 PolarHBondContact NH2-O 3.38Å; A1080-G1084 PolarHBondContact O-N 3.38Å; E1081-G1084 WeakPolarHBondContact O-CA 3.24Å; E1081-G1084 PolarHBondContact O-N 3.31Å; L1082-G1084 VanDerWaalsContact C-N 3.31Å; G1084-C1086 VanDerWaalsContact C-N 3.29Å; G1084-C1086 PolarHBondContact O-N 2.79Å
1085Y86.4Confident91.9Very high43 Ų4314.5 Ų14.517%0.1698%0.078CC..Hα-helixtrans-72.4-17.9-179.8-61.7-71.1000114.1D964 G965 Y1037 T1038 E1081 L1082D964-Y1085 WeakPolarHBondContact O-CE1 3.35Å; G965-Y1085 PolarHBondContact O-N 3.41Å; Y1037-Y1085 VanDerWaalsContact CB-CE2 3.43Å; Y1037-Y1085 HydrophobicContact CG-CE2 4.35Å; T1038-Y1085 HydrophobicContact CG2-CD1 3.86Å; T1038-Y1085 HydrophobicContact CG2-CE1 3.48Å; T1038-Y1085 VanDerWaalsContact CG2-CE1 3.48Å; E1081-Y1085 VanDerWaalsContact O-CD2 3.22Å; E1081-Y1085 WeakPolarHBondContact O-CD2 3.25Å; E1081-Y1085 PolarHBondContact O-N 3.18Å; L1082-Y1085 PolarHBondContact O-N 3.4Å
1086C90.1Very high91.9Very high2 Ų214.5 Ų14.51%0.0148%0.079CC..  trans-131.480.9177.8-1730000111.4L1044 S1045 L1082 T1083 G1084 S1088 L1089L1044-C1086 HydrophobicContact CB-CB 4.23Å; S1045-C1086 WeakPolarHBondContact CA-SG 3.49Å; S1045-C1086 PolarHBondContact N-SG 3.07Å; S1045-C1086 VanDerWaalsContact N-SG 3.43Å; L1082-C1086 WeakPolarHBondContact O-CB 3.25Å; L1082-C1086 PolarHBondContact O-N 2.85Å; T1083-C1086 CarbonylContact O-C 3.56Å; T1083-C1086 PolarHBondContact O-N 3.31Å; G1084-C1086 VanDerWaalsContact C-N 3.29Å; G1084-C1086 PolarHBondContact O-N 2.79Å; C1086-S1088 PolarHBondContact O-N 2.94Å; C1086-L1089 HydrophobicContact CB-CD1 4.01Å; C1086-L1089 HydrophobicContact CB-CG 4.21Å; C1086-L1089 WeakPolarHBondContact O-CB 3.39Å; C1086-L1089 PolarHBondContact O-N 2.89Å
1087K86.2Confident92Very high79 Ų7914.6 Ų14.634%0.3438%0.079SC..THydrogen-bonded Turntrans-50.6-31.9177.6179.2172.3169.3172.90113.6N1003 T1004 C1007 T1083 L1089 S1090N1003-K1087 PolarHBondContact O-NZ 3.32Å; T1004-K1087 WeakPolarHBondContact O-CE 3.31Å; T1004-K1087 PolarHBondContact O-NZ 3.41Å; C1007-K1087 PolarHBondContact SG-NZ 3.31Å; T1083-K1087 PolarHBondContact O-N 2.97Å; K1087-L1089 PolarHBondContact O-N 3.45Å; K1087-L1089 VanDerWaalsContact O-N 3.12Å; K1087-S1090 WeakPolarHBondContact O-CB 3.32Å; K1087-S1090 PolarHBondContact O-N 3.01Å; K1087-S1090 VanDerWaalsContact O-N 3.08Å; K1087-S1090 PolarHBondContact O-OG 3.06Å
1088S88.9Confident92Very high57 Ų5714.2 Ų14.240%0.3998%0.076SC..THydrogen-bonded Turntrans-55.8-27.3177.6-49.50000113.5C1086 S1090 A1091C1086-S1088 PolarHBondContact O-N 2.94Å; S1088-S1090 VanDerWaalsContact C-N 3.26Å; S1088-S1090 PolarHBondContact O-N 3.4Å; S1088-A1091 PolarHBondContact O-N 3.35Å
1089L93.4Very high92Very high0 Ų014.1 Ų14.10%08%0.075CC..Hα-helixtrans-61.5-29.4176.7-73.3171.2000113.2L1044 R1051 F1054 V1055 L1082 T1083 C1086 K1087 A1091 E1092 W1093L1044-L1089 HydrophobicContact CD1-CD1 4.33Å; R1051-L1089 HydrophobicContact CB-CD2 3.86Å; R1051-L1089 HydrophobicContact CG-CD2 3.89Å; F1054-L1089 HydrophobicContact CD1-CD1 4.41Å; F1054-L1089 HydrophobicContact CD1-CD2 4.14Å; F1054-L1089 HydrophobicContact CE1-CD1 4.23Å; V1055-L1089 HydrophobicContact CG2-CD2 3.93Å; L1082-L1089 HydrophobicContact CB-CD1 4.33Å; T1083-L1089 HydrophobicContact CG2-CB 4.12Å; C1086-L1089 HydrophobicContact CB-CD1 4.01Å; C1086-L1089 HydrophobicContact CB-CG 4.21Å; C1086-L1089 WeakPolarHBondContact O-CB 3.39Å; C1086-L1089 PolarHBondContact O-N 2.89Å; K1087-L1089 PolarHBondContact O-N 3.45Å; K1087-L1089 VanDerWaalsContact O-N 3.12Å; L1089-A1091 PolarHBondContact O-N 3.12Å; L1089-E1092 PolarHBondContact O-N 2.91Å; L1089-W1093 PolarHBondContact O-N 3.06Å
1090S92.7Very high91.8Very high9 Ų914.2 Ų14.26%0.0638%0.076CC..Hα-helixtrans-56.6-35.5176.8-640000112.7T1083 K1087 S1088 L1094 C1141 L1142T1083-S1090 WeakPolarHBondContact CG2-OG 3.46Å; K1087-S1090 WeakPolarHBondContact O-CB 3.32Å; K1087-S1090 PolarHBondContact O-N 3.01Å; K1087-S1090 VanDerWaalsContact O-N 3.08Å; K1087-S1090 PolarHBondContact O-OG 3.06Å; S1088-S1090 VanDerWaalsContact C-N 3.26Å; S1088-S1090 PolarHBondContact O-N 3.4Å; S1090-L1094 WeakPolarHBondContact O-CB 3.45Å; S1090-L1094 PolarHBondContact O-N 3.21Å; S1090-L1094 VanDerWaalsContact O-N 3.12Å; S1090-C1141 VanDerWaalsContact CB-O 3.32Å; S1090-C1141 WeakPolarHBondContact CB-O 3.3Å; S1090-C1141 PolarHBondContact OG-O 3.42Å; S1090-L1142 WeakPolarHBondContact O-CD2 3.29Å
1091A93.4Very high91.8Very high28 Ų2814.5 Ų14.523%0.2318%0.078CC..Hα-helixtrans-74.3-37.3175.700000112.2V1009 S1012 S1088 L1089 G1095V1009-A1091 HydrophobicContact CG1-CB 3.82Å; S1012-A1091 WeakPolarHBondContact CB-O 3.31Å; S1012-A1091 PolarHBondContact N-O 3.01Å; S1088-A1091 PolarHBondContact O-N 3.35Å; L1089-A1091 PolarHBondContact O-N 3.12Å; A1091-G1095 PolarHBondContact O-N 2.96Å
1092E95Very high91.7Very high7 Ų713.7 Ų13.73%0.0338%0.075CC..Hα-helixtrans-67.5-43.7177.3-44.3-75.5-171.500110.6S1012 S1014 R1051 V1055 L1089 G1095 V1096 F1111S1012-E1092 VanDerWaalsContact CB-OE2 3.31Å; S1012-E1092 WeakPolarHBondContact CB-OE2 3.47Å; S1012-E1092 PolarHBondContact OG-OE2 3.07Å; S1014-E1092 WeakPolarHBondContact CB-OE2 3.5Å; S1014-E1092 PolarHBondContact OG-OE2 2.88Å; R1051-E1092 HydrophobicContact CB-CG 4.16Å; R1051-E1092 IonicContact CZ-OE1 3.71Å; R1051-E1092 VanDerWaalsContact CZ-OE1 3.28Å; R1051-E1092 IonicContact NE-OE1 2.81Å; R1051-E1092 PolarHBondContact NE-OE1 2.84Å; R1051-E1092 IonicContact NH2-OE1 4Å; R1051-E1092 PolarHBondContact NH2-OE1 3.17Å; V1055-E1092 HydrophobicContact CG2-CB 3.97Å; L1089-E1092 PolarHBondContact O-N 2.91Å; E1092-G1095 PolarHBondContact O-N 2.67Å; E1092-V1096 WeakPolarHBondContact O-CG1 3.18Å; E1092-V1096 PolarHBondContact O-N 3.26Å; E1092-F1111 HydrophobicContact CB-CZ 4.22Å; E1092-F1111 WeakPolarHBondContact O-CZ 3.46Å
1093W96Very high91.2Very high2 Ų215.6 Ų15.61%0.0089%0.088CC..Hα-helixtrans-60.8-45.9173.3-65.1131.6000112.2F1054 V1055 A1058 L1059 C1079 T1083 L1089 G1095 V1096 L1097 F1132 L1136 L1142F1054-W1093 HydrophobicContact CD1-CZ2 4.47Å; F1054-W1093 HydrophobicContact CE1-CH2 4.11Å; F1054-W1093 AromaticContact CE1-CZ2 3.83Å; F1054-W1093 HydrophobicContact CE1-CZ2 3.83Å; V1055-W1093 HydrophobicContact CB-CE3 4.4Å; V1055-W1093 HydrophobicContact CB-CH2 4.47Å; V1055-W1093 HydrophobicContact CB-CZ3 4.06Å; V1055-W1093 HydrophobicContact CG1-CE3 3.85Å; V1055-W1093 HydrophobicContact CG1-CZ3 3.81Å; V1055-W1093 HydrophobicContact CG2-CD2 4.23Å; V1055-W1093 HydrophobicContact CG2-CE3 3.97Å; V1055-W1093 HydrophobicContact CG2-CH2 3.99Å; V1055-W1093 HydrophobicContact CG2-CZ2 4.26Å; V1055-W1093 HydrophobicContact CG2-CZ3 3.84Å; A1058-W1093 HydrophobicContact CB-CH2 3.94Å; A1058-W1093 HydrophobicContact CB-CZ3 4.42Å; L1059-W1093 HydrophobicContact CG-CZ3 4.4Å; C1079-W1093 HydrophobicContact CB-CH2 4.12Å; C1079-W1093 HydrophobicContact CB-CZ2 3.66Å; T1083-W1093 PolarHBondContact OG1-NE1 2.78Å; L1089-W1093 PolarHBondContact O-N 3.06Å; W1093-G1095 VanDerWaalsContact C-N 3.3Å; W1093-G1095 PolarHBondContact O-N 3.24Å; W1093-V1096 HydrophobicContact CE3-CG1 4.42Å; W1093-V1096 WeakPolarHBondContact O-CG1 3.39Å; W1093-L1097 WeakPolarHBondContact O-CB 3.35Å; W1093-L1097 VanDerWaalsContact O-CG 3.23Å; W1093-L1097 WeakPolarHBondContact O-CG 3.37Å; W1093-L1097 PolarHBondContact O-N 3.17Å; W1093-F1132 HydrophobicContact CE3-CE1 4.29Å; W1093-F1132 HydrophobicContact CE3-CZ 4.29Å; W1093-F1132 AromaticContact CH2-CZ 3.93Å; W1093-F1132 HydrophobicContact CH2-CZ 3.93Å; W1093-F1132 HydrophobicContact CZ2-CZ 4.47Å; W1093-F1132 HydrophobicContact CZ3-CE1 4.16Å; W1093-F1132 AromaticContact CZ3-CZ 3.81Å; W1093-F1132 HydrophobicContact CZ3-CZ 3.81Å; W1093-L1136 HydrophobicContact CD2-CD1 4.14Å; W1093-L1136 HydrophobicContact CG-CD1 4.16Å; W1093-L1142 HydrophobicContact CB-CD1 4.18Å; W1093-L1142 HydrophobicContact CB-CD2 4.12Å; W1093-L1142 HydrophobicContact CB-CG 4.39Å
1094L94.3Very high90.3Very high0 Ų017.1 Ų17.10%010%0.099CC..Hα-helixtrans-66.2-35.1177.8-169.863.3000111.8V1009 P1011 S1090 K1098 L1142 D1146 L1147 C1150V1009-L1094 HydrophobicContact CB-CD2 4.14Å; V1009-L1094 HydrophobicContact CG1-CD2 4.13Å; V1009-L1094 WeakPolarHBondContact O-CD2 3.46Å; P1011-L1094 HydrophobicContact CB-CD2 4.46Å; P1011-L1094 HydrophobicContact CB-CG 4.17Å; S1090-L1094 WeakPolarHBondContact O-CB 3.45Å; S1090-L1094 PolarHBondContact O-N 3.21Å; S1090-L1094 VanDerWaalsContact O-N 3.12Å; L1094-K1098 WeakPolarHBondContact O-CB 3.42Å; L1094-K1098 PolarHBondContact O-N 3.5Å; L1094-L1142 HydrophobicContact CB-CD2 3.99Å; L1094-L1142 HydrophobicContact CD1-CD2 4.49Å; L1094-D1146 HydrophobicContact CD2-CB 4.09Å; L1094-L1147 HydrophobicContact CD1-CB 4.48Å; L1094-L1147 HydrophobicContact CD1-CD1 4.33Å; L1094-C1150 HydrophobicContact CD1-CB 4.18Å; L1094-C1150 HydrophobicContact CD2-CB 4.02Å; L1094-C1150 HydrophobicContact CG-CB 4.13Å
1095G93.1Very high89.1Confident0 Ų020.2 Ų20.20%012%0.115CC..Hα-helixtrans-63.5-51.5174.200000113.4S1012 A1091 E1092 W1093 L1097 K1098 A1099S1012-G1095 WeakPolarHBondContact O-CA 3.48Å; A1091-G1095 PolarHBondContact O-N 2.96Å; E1092-G1095 PolarHBondContact O-N 2.67Å; W1093-G1095 VanDerWaalsContact C-N 3.3Å; W1093-G1095 PolarHBondContact O-N 3.24Å; G1095-L1097 VanDerWaalsContact C-N 3.34Å; G1095-L1097 PolarHBondContact O-N 2.87Å; G1095-K1098 WeakPolarHBondContact O-CB 3.47Å; G1095-K1098 PolarHBondContact O-N 2.88Å; G1095-A1099 PolarHBondContact O-N 3.43Å
1096V93.7Very high87.5Confident1 Ų125.8 Ų25.81%0.00615%0.148CC..Hα-helixtrans-69.4-31.6-179.771.80000112.6V1055 L1059 E1092 W1093 A1099 L1100 F1111 L1114V1055-V1096 HydrophobicContact CG1-CB 4.07Å; V1055-V1096 HydrophobicContact CG1-CG1 3.64Å; V1055-V1096 HydrophobicContact CG1-CG2 4.42Å; L1059-V1096 HydrophobicContact CD1-CB 4.13Å; L1059-V1096 HydrophobicContact CD1-CG1 3.43Å; L1059-V1096 VanDerWaalsContact CD1-CG1 3.43Å; L1059-V1096 HydrophobicContact CD1-CG2 3.54Å; E1092-V1096 WeakPolarHBondContact O-CG1 3.18Å; E1092-V1096 PolarHBondContact O-N 3.26Å; W1093-V1096 HydrophobicContact CE3-CG1 4.42Å; W1093-V1096 WeakPolarHBondContact O-CG1 3.39Å; V1096-A1099 WeakPolarHBondContact O-CB 3.36Å; V1096-A1099 PolarHBondContact O-N 2.87Å; V1096-L1100 WeakPolarHBondContact O-CG 3.38Å; V1096-L1100 PolarHBondContact O-N 3.27Å; V1096-F1111 HydrophobicContact CB-CB 4.4Å; V1096-F1111 HydrophobicContact CB-CD1 3.81Å; V1096-F1111 HydrophobicContact CB-CD2 3.82Å; V1096-F1111 HydrophobicContact CB-CE1 3.99Å; V1096-F1111 HydrophobicContact CB-CE2 4.03Å; V1096-F1111 HydrophobicContact CB-CG 3.73Å; V1096-F1111 HydrophobicContact CB-CZ 4.11Å; V1096-F1111 HydrophobicContact CG2-CB 3.91Å; V1096-F1111 HydrophobicContact CG2-CD1 3.8Å; V1096-F1111 HydrophobicContact CG2-CD2 4.28Å; V1096-F1111 HydrophobicContact CG2-CE1 4.43Å; V1096-F1111 HydrophobicContact CG2-CG 3.72Å; V1096-L1114 HydrophobicContact CG2-CD2 3.41Å; V1096-L1114 VanDerWaalsContact CG2-CD2 3.41Å
1097L94.3Very high86Confident3 Ų328.1 Ų28.12%0.01617%0.172CC..Hα-helixtrans-69.2-40.8172.1-69.1171.3000111.7W1093 G1095 A1099 L1100 C1101 L1129 V1133 L1142 L1147W1093-L1097 WeakPolarHBondContact O-CB 3.35Å; W1093-L1097 VanDerWaalsContact O-CG 3.23Å; W1093-L1097 WeakPolarHBondContact O-CG 3.37Å; W1093-L1097 PolarHBondContact O-N 3.17Å; G1095-L1097 VanDerWaalsContact C-N 3.34Å; G1095-L1097 PolarHBondContact O-N 2.87Å; L1097-A1099 VanDerWaalsContact C-N 3.26Å; L1097-A1099 PolarHBondContact O-N 3.31Å; L1097-L1100 PolarHBondContact O-N 2.89Å; L1097-C1101 VanDerWaalsContact O-CB 3.27Å; L1097-C1101 WeakPolarHBondContact O-CB 3.28Å; L1097-C1101 PolarHBondContact O-N 3.07Å; L1097-C1101 PolarHBondContact O-SG 2.95Å; L1097-L1129 HydrophobicContact CD2-CD1 4.24Å; L1097-V1133 HydrophobicContact CD1-CG1 4.38Å; L1097-V1133 HydrophobicContact CD1-CG2 3.81Å; L1097-V1133 HydrophobicContact CD2-CG2 3.51Å; L1097-V1133 HydrophobicContact CG-CG2 4.33Å; L1097-L1142 HydrophobicContact CD1-CD1 3.62Å; L1097-L1147 HydrophobicContact CB-CD1 4.08Å; L1097-L1147 HydrophobicContact CD1-CD1 3.9Å
1098K92.7Very high84.9Confident40 Ų4028.8 Ų28.817%0.17418%0.183CC..Hα-helixtrans-56.3-42.2167.9171.3-171.5168.8-160.10110.7P1011 E1013 L1094 G1095 C1102 A1151P1011-K1098 HydrophobicContact CB-CB 4.47Å; P1011-K1098 HydrophobicContact CB-CD 3.72Å; P1011-K1098 HydrophobicContact CG-CD 3.7Å; E1013-K1098 IonicContact OE1-NZ 3.22Å; E1013-K1098 PolarHBondContact OE1-NZ 2.9Å; L1094-K1098 WeakPolarHBondContact O-CB 3.42Å; L1094-K1098 PolarHBondContact O-N 3.5Å; G1095-K1098 WeakPolarHBondContact O-CB 3.47Å; G1095-K1098 PolarHBondContact O-N 2.88Å; K1098-C1102 WeakPolarHBondContact O-CB 3.42Å; K1098-C1102 PolarHBondContact O-N 2.96Å; K1098-C1102 PolarHBondContact O-SG 3.09Å; K1098-A1151 HydrophobicContact CB-CB 4.15Å
1099A91.4Very high83.9Confident1 Ų126.3 Ų26.31%0.00817%0.165CC..Hα-helixtrans-66-46.6179.500000113.6G1095 V1096 L1097 C1102 S1103 C1109 F1111 L1115G1095-A1099 PolarHBondContact O-N 3.43Å; V1096-A1099 WeakPolarHBondContact O-CB 3.36Å; V1096-A1099 PolarHBondContact O-N 2.87Å; L1097-A1099 VanDerWaalsContact C-N 3.26Å; L1097-A1099 PolarHBondContact O-N 3.31Å; A1099-C1102 CarbonylContact O-C 3.27Å; A1099-C1102 PolarHBondContact O-N 3.48Å; A1099-S1103 WeakPolarHBondContact O-CA 3.45Å; A1099-S1103 PolarHBondContact O-N 3.33Å; A1099-S1103 VanDerWaalsContact O-N 3.12Å; A1099-C1109 HydrophobicContact CB-CB 3.82Å; A1099-F1111 HydrophobicContact CB-CB 4.37Å; A1099-L1115 HydrophobicContact CB-CD1 4.29Å
1100L92.3Very high83.4Confident1 Ų126.3 Ų26.31%0.00517%0.166CC..Hα-helixtrans-65.8-39.9176.3-70.6167.2000112.2L1059 V1096 L1097 L1114 L1115 V1118 V1120 L1129 L1172L1059-L1100 HydrophobicContact CD1-CD1 4.32Å; V1096-L1100 WeakPolarHBondContact O-CG 3.38Å; V1096-L1100 PolarHBondContact O-N 3.27Å; L1097-L1100 PolarHBondContact O-N 2.89Å; L1100-L1114 HydrophobicContact CD1-CD2 4.24Å; L1100-L1114 HydrophobicContact CD2-CD2 4.36Å; L1100-L1114 HydrophobicContact CG-CD2 4.46Å; L1100-L1115 HydrophobicContact CD2-CD2 4.11Å; L1100-V1118 HydrophobicContact CD2-CG1 4.49Å; L1100-V1120 HydrophobicContact CD2-CG2 4.1Å; L1100-L1129 HydrophobicContact CD1-CD2 3.96Å; L1100-L1172 HydrophobicContact CB-CD2 4.13Å
1101C92.1Very high83.3Confident6 Ų625.9 Ų25.94%0.04116%0.163CC..Hα-helixtrans-73.3-28.2178.5-63.40000112.9L1097 A1151 S1155 G1169 T1173L1097-C1101 VanDerWaalsContact O-CB 3.27Å; L1097-C1101 WeakPolarHBondContact O-CB 3.28Å; L1097-C1101 PolarHBondContact O-N 3.07Å; L1097-C1101 PolarHBondContact O-SG 2.95Å; C1101-A1151 HydrophobicContact CB-CB 4.46Å; C1101-S1155 VanDerWaalsContact O-CB 3.24Å; C1101-S1155 WeakPolarHBondContact O-CB 3.48Å; C1101-S1155 PolarHBondContact O-OG 3.34Å; C1101-G1169 CarbonylContact O-C 3.16Å; C1101-G1169 VanDerWaalsContact O-CA 3.32Å; C1101-G1169 WeakPolarHBondContact O-CA 3.31Å; C1101-T1173 VanDerWaalsContact CB-OG1 3.28Å; C1101-T1173 WeakPolarHBondContact CB-OG1 3.3Å; C1101-T1173 PolarHBondContact SG-OG1 3.07Å; C1101-T1173 VanDerWaalsContact SG-OG1 3.4Å
1102C89Confident83Confident8 Ų827.4 Ų27.45%0.05417%0.167CC..THydrogen-bonded Turntrans-115.837.3-177.6-54.30000112.4K1098 A1099 S1104 N1105 C1109K1098-C1102 WeakPolarHBondContact O-CB 3.42Å; K1098-C1102 PolarHBondContact O-N 2.96Å; K1098-C1102 PolarHBondContact O-SG 3.09Å; A1099-C1102 CarbonylContact O-C 3.27Å; A1099-C1102 PolarHBondContact O-N 3.48Å; C1102-S1104 PolarHBondContact O-N 3.33Å; C1102-S1104 VanDerWaalsContact O-N 3.07Å; C1102-N1105 PolarHBondContact O-N 2.95Å; C1102-N1105 VanDerWaalsContact O-N 3.13Å; C1102-C1109 PolarHBondContact O-SG 3.24Å; C1102-C1109 VanDerWaalsContact O-SG 3.33Å
1103S81.2Confident82.7Confident39 Ų3929.7 Ų29.727%0.27318%0.18SC..THydrogen-bonded Turntrans-57-26-171.6540000114.9A1099 N1105A1099-S1103 WeakPolarHBondContact O-CA 3.45Å; A1099-S1103 PolarHBondContact O-N 3.33Å; A1099-S1103 VanDerWaalsContact O-N 3.12Å; S1103-N1105 VanDerWaalsContact C-N 3.27Å; S1103-N1105 PolarHBondContact O-N 2.9Å
1104S71.8Confident82.3Confident32 Ų3229.7 Ų29.722%0.22418%0.18CC..THydrogen-bonded Turntrans-68.8-12.8177.755.60000115.6C1102 N1106C1102-S1104 PolarHBondContact O-N 3.33Å; C1102-S1104 VanDerWaalsContact O-N 3.07Å; S1104-N1106 PolarHBondContact O-N 3.01Å
1105N62.7Low81.9Confident67 Ų6731.7 Ų31.736%0.35819%0.19SC..SBendtrans-8454.4-170.5-9334.6000114C1102 S1103 G1107 T1108 C1109 N1158C1102-N1105 PolarHBondContact O-N 2.95Å; C1102-N1105 VanDerWaalsContact O-N 3.13Å; S1103-N1105 VanDerWaalsContact C-N 3.27Å; S1103-N1105 PolarHBondContact O-N 2.9Å; N1105-G1107 PolarHBondContact O-N 3.16Å; N1105-T1108 PolarHBondContact O-N 3.3Å; N1105-T1108 PolarHBondContact O-OG1 2.73Å; N1105-C1109 VanDerWaalsContact CB-SG 3.59Å; N1105-N1158 PolarHBondContact OD1-ND2 2.71Å
1106N53.5Low81.7Confident160 Ų16036.9 Ų36.986%0.85623%0.225SC*.THydrogen-bonded Turntrans17.472.2167.8-77.6-16.1000116.1S1104 T1108S1104-N1106 PolarHBondContact O-N 3.01Å; N1106-T1108 VanDerWaalsContact C-N 3.31Å; N1106-T1108 PolarHBondContact O-N 2.84Å
1107G57.5Low81.4Confident51 Ų5140.8 Ų40.853%0.52625%0.246SC..THydrogen-bonded Turntrans75.90.917000000117N1105N1105-G1107 PolarHBondContact O-N 3.16Å
1108T64Low81Confident92 Ų9241 Ų4156%0.56425%0.248SC*.  trans-85.4-7.9-17858.90000114.7N1105 N1106N1105-T1108 PolarHBondContact O-N 3.3Å; N1105-T1108 PolarHBondContact O-OG1 2.73Å; N1106-T1108 VanDerWaalsContact C-N 3.31Å; N1106-T1108 PolarHBondContact O-N 2.84Å
1109C67.7Low80.8Confident5 Ų544.1 Ų44.13%0.03427%0.266CS..SBendtrans-89.6-13.6-160.7-550000116.5A1099 C1102 N1105A1099-C1109 HydrophobicContact CB-CB 3.82Å; C1102-C1109 PolarHBondContact O-SG 3.24Å; C1102-C1109 VanDerWaalsContact O-SG 3.33Å; N1105-C1109 VanDerWaalsContact CB-SG 3.59Å
1110G82.5Confident80.7Confident1 Ų144.5 Ų44.51%0.0127%0.268CS..SBendtrans82.2174-160.600000112.5N1015 N1112N1015-G1110 WeakPolarHBondContact ND2-CA 3.25Å; G1110-N1112 VanDerWaalsContact C-N 3.29Å; G1110-N1112 PolarHBondContact O-N 3.15Å
1111F90.5Very high80.5Confident0 Ų047.5 Ų47.50%029%0.289CS..  trans54.437168.3-57.7-91.5000115.4S1014 N1015 Y1052 V1055 E1092 V1096 A1099 D1113 L1114 L1115S1014-F1111 PolarHBondContact O-N 2.8Å; N1015-F1111 PolarHBondContact OD1-N 2.83Å; Y1052-F1111 AromaticContact CD2-CD1 3.69Å; Y1052-F1111 HydrophobicContact CD2-CD1 3.69Å; Y1052-F1111 AromaticContact CD2-CE1 3.52Å; Y1052-F1111 HydrophobicContact CD2-CE1 3.52Å; Y1052-F1111 HydrophobicContact CD2-CZ 4.24Å; Y1052-F1111 HydrophobicContact CE2-CB 4.4Å; Y1052-F1111 AromaticContact CE2-CD1 3.44Å; Y1052-F1111 HydrophobicContact CE2-CD1 3.44Å; Y1052-F1111 VanDerWaalsContact CE2-CD1 3.44Å; Y1052-F1111 AromaticContact CE2-CE1 3.78Å; Y1052-F1111 HydrophobicContact CE2-CE1 3.78Å; Y1052-F1111 AromaticContact CE2-CG 3.99Å; Y1052-F1111 HydrophobicContact CE2-CG 3.99Å; V1055-F1111 HydrophobicContact CB-CE1 4.4Å; V1055-F1111 HydrophobicContact CG1-CD1 4.4Å; V1055-F1111 HydrophobicContact CG1-CE1 3.82Å; E1092-F1111 HydrophobicContact CB-CZ 4.22Å; E1092-F1111 WeakPolarHBondContact O-CZ 3.46Å; V1096-F1111 HydrophobicContact CB-CB 4.4Å; V1096-F1111 HydrophobicContact CB-CD1 3.81Å; V1096-F1111 HydrophobicContact CB-CD2 3.82Å; V1096-F1111 HydrophobicContact CB-CE1 3.99Å; V1096-F1111 HydrophobicContact CB-CE2 4.03Å; V1096-F1111 HydrophobicContact CB-CG 3.73Å; V1096-F1111 HydrophobicContact CB-CZ 4.11Å; V1096-F1111 HydrophobicContact CG2-CB 3.91Å; V1096-F1111 HydrophobicContact CG2-CD1 3.8Å; V1096-F1111 HydrophobicContact CG2-CD2 4.28Å; V1096-F1111 HydrophobicContact CG2-CE1 4.43Å; V1096-F1111 HydrophobicContact CG2-CG 3.72Å; A1099-F1111 HydrophobicContact CB-CB 4.37Å; F1111-D1113 PolarHBondContact O-N 3.29Å; F1111-L1114 PolarHBondContact O-N 2.93Å; F1111-L1114 VanDerWaalsContact O-N 3.11Å; F1111-L1115 PolarHBondContact O-N 3.32Å
1112N87.7Confident80.3Confident59 Ų5951 Ų5132%0.31631%0.308SS..Hα-helixtrans-57.6-33.7-178.6-73.3-56.1000113N1015 G1110 L1114 L1115 C1116N1015-N1112 PolarHBondContact ND2-ND2 3.45Å; N1015-N1112 WeakPolarHBondContact OD1-CB 3.43Å; N1015-N1112 PolarHBondContact OD1-N 3.32Å; N1015-N1112 PolarHBondContact OD1-ND2 2.94Å; G1110-N1112 VanDerWaalsContact C-N 3.29Å; G1110-N1112 PolarHBondContact O-N 3.15Å; N1112-L1114 PolarHBondContact O-N 2.76Å; N1112-L1115 PolarHBondContact O-N 3.26Å; N1112-C1116 PolarHBondContact O-N 3.49Å; N1112-C1116 PolarHBondContact O-SG 2.84Å
1113D87.9Confident80.2Confident56 Ų5653.7 Ų53.730%0.29932%0.321SS..Hα-helixtrans-60.9-42.6177.2-63.3-76.2000112W1018 Y1052 F1111 C1116 N1117W1018-D1113 HydrophobicContact CB-CB 4.05Å; W1018-D1113 HydrophobicContact CD2-CB 4.25Å; W1018-D1113 HydrophobicContact CE3-CB 3.94Å; W1018-D1113 HydrophobicContact CG-CB 4.33Å; Y1052-D1113 VanDerWaalsContact CE1-OD2 3.32Å; Y1052-D1113 WeakPolarHBondContact CE1-OD2 3.35Å; Y1052-D1113 PolarHBondContact OH-OD2 3.07Å; F1111-D1113 PolarHBondContact O-N 3.29Å; D1113-C1116 PolarHBondContact O-N 2.78Å; D1113-N1117 PolarHBondContact O-ND2 3.34Å
1114L88.1Confident80.4Confident2 Ų254.1 Ų54.11%0.0132%0.324CS..Hα-helixtrans-69.3-43.6177.9-172.472000111L1059 M1060 V1096 L1100 F1111 N1112 C1116 N1117 V1118L1059-L1114 HydrophobicContact CB-CD1 4.2Å; L1059-L1114 HydrophobicContact CB-CD2 3.93Å; L1059-L1114 HydrophobicContact CD1-CD2 3.82Å; M1060-L1114 HydrophobicContact CG-CD1 3.82Å; M1060-L1114 HydrophobicContact SD-CD1 3.76Å; V1096-L1114 HydrophobicContact CG2-CD2 3.41Å; V1096-L1114 VanDerWaalsContact CG2-CD2 3.41Å; L1100-L1114 HydrophobicContact CD1-CD2 4.24Å; L1100-L1114 HydrophobicContact CD2-CD2 4.36Å; L1100-L1114 HydrophobicContact CG-CD2 4.46Å; F1111-L1114 PolarHBondContact O-N 2.93Å; F1111-L1114 VanDerWaalsContact O-N 3.11Å; N1112-L1114 PolarHBondContact O-N 2.76Å; L1114-C1116 PolarHBondContact O-N 3.3Å; L1114-N1117 PolarHBondContact O-N 2.94Å; L1114-V1118 HydrophobicContact CD1-CG2 3.76Å; L1114-V1118 HydrophobicContact CG-CG2 4.08Å; L1114-V1118 PolarHBondContact O-N 2.81Å
1115L86.8Confident81.3Confident42 Ų4252.7 Ų52.722%0.2231%0.314CS..Hα-helixtrans-62.7-23.4177.2-66.8177.6000113.3A1099 L1100 F1111 N1112A1099-L1115 HydrophobicContact CB-CD1 4.29Å; L1100-L1115 HydrophobicContact CD2-CD2 4.11Å; F1111-L1115 PolarHBondContact O-N 3.32Å; N1112-L1115 PolarHBondContact O-N 3.26Å
1116C87.8Confident82.6Confident108 Ų10849.9 Ų49.973%0.7330%0.298SS*.THydrogen-bonded Turntrans-81.8-10.5173.2-66.50000114N1112 D1113 L1114N1112-C1116 PolarHBondContact O-N 3.49Å; N1112-C1116 PolarHBondContact O-SG 2.84Å; D1113-C1116 PolarHBondContact O-N 2.78Å; L1114-C1116 PolarHBondContact O-N 3.3Å
1117N87.4Confident84.3Confident84 Ų8444.1 Ų44.145%0.44927%0.267SS..THydrogen-bonded Turntrans-119.8-16.2-175.9-72.5-88.1000114M1060 D1113 L1114M1060-N1117 HydrophobicContact CE-CB 4.01Å; M1060-N1117 HydrophobicContact SD-CB 3.84Å; D1113-N1117 PolarHBondContact O-ND2 3.34Å; L1114-N1117 PolarHBondContact O-N 2.94Å
1118V87.6Confident85.9Confident8 Ų841.7 Ų41.75%0.04824%0.243CC..  trans-115.2112.6178-179.20000110.2M1060 C1063 V1064 L1100 L1114 V1120 F1125M1060-V1118 HydrophobicContact SD-CG2 3.75Å; C1063-V1118 HydrophobicContact CB-CG1 3.88Å; C1063-V1118 HydrophobicContact CB-CG2 4.03Å; V1064-V1118 HydrophobicContact CG2-CG2 4.21Å; L1100-V1118 HydrophobicContact CD2-CG1 4.49Å; L1114-V1118 HydrophobicContact CD1-CG2 3.76Å; L1114-V1118 HydrophobicContact CG-CG2 4.08Å; L1114-V1118 PolarHBondContact O-N 2.81Å; V1118-V1120 PolarHBondContact O-N 3.44Å; V1118-F1125 HydrophobicContact CG1-CE1 4.07Å; V1118-F1125 HydrophobicContact CG1-CE2 4.33Å; V1118-F1125 HydrophobicContact CG1-CZ 3.76Å
1119D88.1Confident87.3Confident105 Ų10537.3 Ų37.356%0.56122%0.216SC*.  trans-76.9106.1170.8-174.2-14.3000110S1121 D1122 F1125D1119-S1121 VanDerWaalsContact CG-OG 3.25Å; D1119-S1121 PolarHBondContact O-N 3.28Å; D1119-S1121 VanDerWaalsContact O-N 3.11Å; D1119-S1121 VanDerWaalsContact OD1-CB 3.27Å; D1119-S1121 WeakPolarHBondContact OD1-CB 3.45Å; D1119-S1121 PolarHBondContact OD1-N 3.3Å; D1119-S1121 PolarHBondContact OD1-OG 2.84Å; D1119-S1121 PolarHBondContact OD2-OG 3.16Å; D1119-D1122 PolarHBondContact O-N 3.31Å; D1119-D1122 VanDerWaalsContact O-N 3.15Å; D1119-F1125 WeakPolarHBondContact O-CE1 3.49Å
1120V88.9Confident88.5Confident9 Ų937.1 Ų37.16%0.05521%0.214CC..THydrogen-bonded Turntrans-62.6-17.9-179.1-174.70000112.6L1100 V1118 H1126 P1168 L1172L1100-V1120 HydrophobicContact CD2-CG2 4.1Å; V1118-V1120 PolarHBondContact O-N 3.44Å; V1120-H1126 PolarHBondContact O-NE2 3.07Å; V1120-H1126 VanDerWaalsContact O-NE2 3.12Å; V1120-P1168 HydrophobicContact CB-CB 4.18Å; V1120-P1168 HydrophobicContact CG1-CB 4.04Å; V1120-L1172 HydrophobicContact CG1-CB 4.34Å; V1120-L1172 HydrophobicContact CG1-CD2 4.04Å
1121S87.4Confident89Confident64 Ų6437 Ų3745%0.44821%0.214SC..THydrogen-bonded Turntrans-78.5-16.2177.777.30000114.3D1119 L1123D1119-S1121 VanDerWaalsContact CG-OG 3.25Å; D1119-S1121 PolarHBondContact O-N 3.28Å; D1119-S1121 VanDerWaalsContact O-N 3.11Å; D1119-S1121 VanDerWaalsContact OD1-CB 3.27Å; D1119-S1121 WeakPolarHBondContact OD1-CB 3.45Å; D1119-S1121 PolarHBondContact OD1-N 3.3Å; D1119-S1121 PolarHBondContact OD1-OG 2.84Å; D1119-S1121 PolarHBondContact OD2-OG 3.16Å; S1121-L1123 PolarHBondContact O-N 2.76Å
1122D88.3Confident89.2Confident80 Ų8037.1 Ų37.143%0.42821%0.214SC..  trans-72.4121.1171.7-17510.9000110.6D1119 S1124 F1125 H1126D1119-D1122 PolarHBondContact O-N 3.31Å; D1119-D1122 VanDerWaalsContact O-N 3.15Å; D1122-S1124 VanDerWaalsContact C-N 3.27Å; D1122-S1124 PolarHBondContact O-N 3.39Å; D1122-S1124 VanDerWaalsContact OD1-CB 3.3Å; D1122-S1124 WeakPolarHBondContact OD1-CB 3.41Å; D1122-S1124 PolarHBondContact OD1-N 3.18Å; D1122-S1124 PolarHBondContact OD1-OG 2.96Å; D1122-S1124 VanDerWaalsContact OD2-CB 3.32Å; D1122-S1124 WeakPolarHBondContact OD2-CB 3.37Å; D1122-S1124 PolarHBondContact OD2-OG 3.24Å; D1122-F1125 HydrophobicContact CB-CD1 4.49Å; D1122-F1125 HydrophobicContact CB-CE1 4.29Å; D1122-F1125 WeakPolarHBondContact O-CD1 3.21Å; D1122-F1125 WeakPolarHBondContact O-CE1 3.38Å; D1122-H1126 PolarHBondContact O-CD2 3.23Å; D1122-H1126 PolarHBondContact O-NE2 3.22Å
1123L87.3Confident89.5Confident64 Ų6434.3 Ų34.334%0.33520%0.199SC..  trans-76.5-14.7179.6-54.2179.5000112.7S1121 F1125 H1126 R1171 T1273S1121-L1123 PolarHBondContact O-N 2.76Å; L1123-F1125 VanDerWaalsContact C-N 3.29Å; L1123-F1125 PolarHBondContact O-N 3.08Å; L1123-H1126 PolarHBondContact O-N 3.29Å; L1123-R1171 HydrophobicContact CD2-CG 4.4Å; L1123-T1273 HydrophobicContact CD1-CG2 4Å
1124S85.5Confident89.8Confident47 Ų4731.6 Ų31.633%0.32919%0.185SC..THydrogen-bonded Turntrans-54-40.8-17170.10000113.9H1067 D1122H1067-S1124 PolarHBondContact CE1-OG 2.99Å; D1122-S1124 VanDerWaalsContact C-N 3.27Å; D1122-S1124 PolarHBondContact O-N 3.39Å; D1122-S1124 VanDerWaalsContact OD1-CB 3.3Å; D1122-S1124 WeakPolarHBondContact OD1-CB 3.41Å; D1122-S1124 PolarHBondContact OD1-N 3.18Å; D1122-S1124 PolarHBondContact OD1-OG 2.96Å; D1122-S1124 VanDerWaalsContact OD2-CB 3.32Å; D1122-S1124 WeakPolarHBondContact OD2-CB 3.37Å; D1122-S1124 PolarHBondContact OD2-OG 3.24Å
1125F89.8Confident90.1Very high3 Ų331.6 Ų31.61%0.01318%0.184CC..THydrogen-bonded Turntrans-99.1-3.3-174.471.9-90000114.4C1063 V1118 D1119 D1122 L1123 D1127 S1128 L1129C1063-F1125 HydrophobicContact CB-CB 4.42Å; C1063-F1125 HydrophobicContact CB-CD1 4.46Å; C1063-F1125 HydrophobicContact CB-CD2 3.89Å; C1063-F1125 HydrophobicContact CB-CE2 4.27Å; C1063-F1125 HydrophobicContact CB-CG 4Å; C1063-F1125 WeakPolarHBondContact O-CB 3.32Å; V1118-F1125 HydrophobicContact CG1-CE1 4.07Å; V1118-F1125 HydrophobicContact CG1-CE2 4.33Å; V1118-F1125 HydrophobicContact CG1-CZ 3.76Å; D1119-F1125 WeakPolarHBondContact O-CE1 3.49Å; D1122-F1125 HydrophobicContact CB-CD1 4.49Å; D1122-F1125 HydrophobicContact CB-CE1 4.29Å; D1122-F1125 WeakPolarHBondContact O-CD1 3.21Å; D1122-F1125 WeakPolarHBondContact O-CE1 3.38Å; L1123-F1125 VanDerWaalsContact C-N 3.29Å; L1123-F1125 PolarHBondContact O-N 3.08Å; F1125-D1127 VanDerWaalsContact C-N 3.25Å; F1125-D1127 PolarHBondContact O-N 3.4Å; F1125-S1128 WeakPolarHBondContact O-CB 3.35Å; F1125-S1128 PolarHBondContact O-N 3.36Å; F1125-L1129 HydrophobicContact CD2-CB 4.11Å; F1125-L1129 HydrophobicContact CD2-CD2 4.29Å; F1125-L1129 HydrophobicContact CE2-CD2 3.93Å; F1125-L1129 PolarHBondContact O-N 3.15Å
1126H91.2Very high90.5Very high8 Ų829.6 Ų29.64%0.03717%0.174CC..Hα-helixtrans-59.7-35.7-173.3-78.1-149.3000112V1120 D1122 L1123 A1130 L1172 R1175V1120-H1126 PolarHBondContact O-NE2 3.07Å; V1120-H1126 VanDerWaalsContact O-NE2 3.12Å; D1122-H1126 PolarHBondContact O-CD2 3.23Å; D1122-H1126 PolarHBondContact O-NE2 3.22Å; L1123-H1126 PolarHBondContact O-N 3.29Å; H1126-A1130 WeakPolarHBondContact O-CB 3.12Å; H1126-A1130 PolarHBondContact O-N 3.42Å; H1126-L1172 HydrophobicContact CB-CD1 4.21Å; H1126-R1175 HydrophobicContact CB-CB 4.47Å; H1126-R1175 HydrophobicContact CB-CG 4.07Å
1127D88.6Confident90.9Very high38 Ų3824.5 Ų24.520%0.20314%0.139CC..Hα-helixtrans-73.4-36.3174.1-80.2-36.7000113.6F1125 T1131 R1175 V1198F1125-D1127 VanDerWaalsContact C-N 3.25Å; F1125-D1127 PolarHBondContact O-N 3.4Å; D1127-T1131 VanDerWaalsContact O-CB 3.32Å; D1127-T1131 WeakPolarHBondContact O-CB 3.43Å; D1127-T1131 PolarHBondContact O-N 2.97Å; D1127-T1131 PolarHBondContact O-OG1 2.88Å; D1127-R1175 VanDerWaalsContact CG-NH2 3.25Å; D1127-R1175 IonicContact OD1-CZ 3.78Å; D1127-R1175 VanDerWaalsContact OD1-CZ 3.22Å; D1127-R1175 IonicContact OD1-NE 2.68Å; D1127-R1175 PolarHBondContact OD1-NE 3.45Å; D1127-R1175 IonicContact OD1-NH2 2.7Å; D1127-R1175 PolarHBondContact OD1-NH2 3.03Å; D1127-R1175 IonicContact OD2-CZ 2.67Å; D1127-R1175 IonicContact OD2-NE 2.65Å; D1127-R1175 IonicContact OD2-NH2 2.75Å; D1127-R1175 PolarHBondContact OD2-NH2 3.23Å; D1127-V1198 HydrophobicContact CB-CB 4.17Å
1128S91.2Very high91.2Very high1 Ų120.5 Ų20.51%0.00712%0.118CC..Hα-helixtrans-64.3-45.8174.9-64.70000111.3V1072 F1125 T1131 F1132V1072-S1128 WeakPolarHBondContact CG1-O 2.98Å; F1125-S1128 WeakPolarHBondContact O-CB 3.35Å; F1125-S1128 PolarHBondContact O-N 3.36Å; S1128-T1131 PolarHBondContact O-N 3.42Å; S1128-F1132 WeakPolarHBondContact O-CB 3.15Å; S1128-F1132 PolarHBondContact O-N 2.73Å
1129L93.7Very high91.4Very high0 Ų021.1 Ų21.10%012%0.119CC..Hα-helixtrans-68.6-40.4177.2-177.655.2000111.9L1059 V1062 L1097 L1100 F1125 T1131 F1132 V1133 L1172L1059-L1129 HydrophobicContact CD2-CD1 3.62Å; V1062-L1129 HydrophobicContact CG1-CB 4.34Å; V1062-L1129 HydrophobicContact CG1-CD1 4.44Å; L1097-L1129 HydrophobicContact CD2-CD1 4.24Å; L1100-L1129 HydrophobicContact CD1-CD2 3.96Å; F1125-L1129 HydrophobicContact CD2-CB 4.11Å; F1125-L1129 HydrophobicContact CD2-CD2 4.29Å; F1125-L1129 HydrophobicContact CE2-CD2 3.93Å; F1125-L1129 PolarHBondContact O-N 3.15Å; L1129-T1131 VanDerWaalsContact C-N 3.32Å; L1129-T1131 PolarHBondContact O-N 2.85Å; L1129-F1132 HydrophobicContact CD1-CD1 4.21Å; L1129-F1132 PolarHBondContact O-N 3.04Å; L1129-V1133 HydrophobicContact CD1-CG2 4.16Å; L1129-V1133 WeakPolarHBondContact O-CB 3.49Å; L1129-V1133 VanDerWaalsContact O-CG2 3.28Å; L1129-V1133 WeakPolarHBondContact O-CG2 3.36Å; L1129-V1133 PolarHBondContact O-N 2.98Å; L1129-L1172 HydrophobicContact CD2-CD1 4.09Å; L1129-L1172 HydrophobicContact CD2-CD2 3.96Å
1130A93Very high91.6Very high0 Ų016.8 Ų16.80%010%0.096CC..Hα-helixtrans-61-40.7174.100000112.3H1126 A1134 I1176 H1179H1126-A1130 WeakPolarHBondContact O-CB 3.12Å; H1126-A1130 PolarHBondContact O-N 3.42Å; A1130-A1134 VanDerWaalsContact O-CB 3.26Å; A1130-A1134 WeakPolarHBondContact O-CB 3.2Å; A1130-A1134 PolarHBondContact O-N 3.46Å; A1130-I1176 HydrophobicContact CB-CG1 4.19Å; A1130-H1179 HydrophobicContact CB-CB 3.78Å
1131T91.5Very high91.8Very high0 Ų016.4 Ų16.40%09%0.094CC..Hα-helixtrans-65.2-45.5175.4-580000111.7D1127 S1128 L1129 V1133 A1134 I1135 H1179 V1198 G1199 I1200D1127-T1131 VanDerWaalsContact O-CB 3.32Å; D1127-T1131 WeakPolarHBondContact O-CB 3.43Å; D1127-T1131 PolarHBondContact O-N 2.97Å; D1127-T1131 PolarHBondContact O-OG1 2.88Å; S1128-T1131 PolarHBondContact O-N 3.42Å; L1129-T1131 VanDerWaalsContact C-N 3.32Å; L1129-T1131 PolarHBondContact O-N 2.85Å; T1131-V1133 PolarHBondContact O-N 3.37Å; T1131-A1134 PolarHBondContact O-N 2.73Å; T1131-I1135 HydrophobicContact CG2-CD1 4.09Å; T1131-I1135 WeakPolarHBondContact O-CG1 3.45Å; T1131-I1135 PolarHBondContact O-N 3.14Å; T1131-H1179 PolarHBondContact OG1-CE1 3.41Å; T1131-H1179 VanDerWaalsContact OG1-CE1 3.29Å; T1131-V1198 HydrophobicContact CG2-CG1 4.35Å; T1131-V1198 PolarHBondContact OG1-O 2.67Å; T1131-G1199 VanDerWaalsContact CG2-C 3.5Å; T1131-G1199 WeakPolarHBondContact OG1-CA 3.25Å; T1131-G1199 PolarHBondContact OG1-N 2.83Å; T1131-I1200 HydrophobicContact CG2-CG1 4.24Å
1132F94.6Very high92Very high1 Ų113.7 Ų13.70%0.0047%0.074CC..Hα-helixtrans-57.8-48.2176.1174.9-93.9000111.8L1059 V1062 V1072 I1075 A1076 C1079 W1093 S1128 L1129 A1134 I1135 L1136L1059-F1132 HydrophobicContact CD2-CD1 4.21Å; L1059-F1132 HydrophobicContact CD2-CE1 3.94Å; V1062-F1132 HydrophobicContact CG1-CB 4.17Å; V1062-F1132 HydrophobicContact CG1-CG 4.5Å; V1062-F1132 HydrophobicContact CG2-CD2 3.87Å; V1062-F1132 HydrophobicContact CG2-CE2 4.33Å; V1062-F1132 HydrophobicContact CG2-CG 4.25Å; V1072-F1132 HydrophobicContact CG1-CB 4.45Å; I1075-F1132 HydrophobicContact CG2-CE2 4.14Å; A1076-F1132 HydrophobicContact CB-CD2 3.64Å; A1076-F1132 HydrophobicContact CB-CE2 4.21Å; A1076-F1132 HydrophobicContact CB-CG 4.39Å; C1079-F1132 HydrophobicContact CB-CE2 4.01Å; C1079-F1132 HydrophobicContact CB-CZ 4.12Å; W1093-F1132 HydrophobicContact CE3-CE1 4.29Å; W1093-F1132 HydrophobicContact CE3-CZ 4.29Å; W1093-F1132 AromaticContact CH2-CZ 3.93Å; W1093-F1132 HydrophobicContact CH2-CZ 3.93Å; W1093-F1132 HydrophobicContact CZ2-CZ 4.47Å; W1093-F1132 HydrophobicContact CZ3-CE1 4.16Å; W1093-F1132 AromaticContact CZ3-CZ 3.81Å; W1093-F1132 HydrophobicContact CZ3-CZ 3.81Å; S1128-F1132 WeakPolarHBondContact O-CB 3.15Å; S1128-F1132 PolarHBondContact O-N 2.73Å; L1129-F1132 HydrophobicContact CD1-CD1 4.21Å; L1129-F1132 PolarHBondContact O-N 3.04Å; F1132-A1134 VanDerWaalsContact C-N 3.34Å; F1132-A1134 PolarHBondContact O-N 2.89Å; F1132-I1135 PolarHBondContact O-N 2.87Å; F1132-L1136 HydrophobicContact CD1-CD1 4.12Å; F1132-L1136 HydrophobicContact CE1-CD1 3.5Å; F1132-L1136 HydrophobicContact CE1-CG 4.33Å; F1132-L1136 HydrophobicContact CZ-CD1 3.81Å; F1132-L1136 HydrophobicContact CZ-CG 4.44Å; F1132-L1136 PolarHBondContact O-N 3.23Å; F1132-L1136 VanDerWaalsContact O-N 3.08Å
1133V95.6Very high92.2Very high0 Ų011.1 Ų11.10%06%0.06CC..Hα-helixtrans-62.3-40.9176.5172.50000111.7L1097 L1129 T1131 I1135 L1136 I1137 L1147 I1176 L1180L1097-V1133 HydrophobicContact CD1-CG1 4.38Å; L1097-V1133 HydrophobicContact CD1-CG2 3.81Å; L1097-V1133 HydrophobicContact CD2-CG2 3.51Å; L1097-V1133 HydrophobicContact CG-CG2 4.33Å; L1129-V1133 HydrophobicContact CD1-CG2 4.16Å; L1129-V1133 WeakPolarHBondContact O-CB 3.49Å; L1129-V1133 VanDerWaalsContact O-CG2 3.28Å; L1129-V1133 WeakPolarHBondContact O-CG2 3.36Å; L1129-V1133 PolarHBondContact O-N 2.98Å; T1131-V1133 PolarHBondContact O-N 3.37Å; V1133-I1135 PolarHBondContact O-N 3.31Å; V1133-L1136 PolarHBondContact O-N 3.35Å; V1133-I1137 HydrophobicContact CG1-CD1 4.05Å; V1133-I1137 PolarHBondContact O-N 3.22Å; V1133-L1147 HydrophobicContact CG1-CD2 3.59Å; V1133-I1176 HydrophobicContact CG1-CG2 4.12Å; V1133-L1180 HydrophobicContact CG1-CD1 4.24Å
1134A94.3Very high92.5Very high0 Ų08.6 Ų8.60%05%0.047CC..Hα-helixtrans-64.8-37.5179.100000112.8A1130 T1131 F1132 I1137 A1138 L1180 I1200 L1209A1130-A1134 VanDerWaalsContact O-CB 3.26Å; A1130-A1134 WeakPolarHBondContact O-CB 3.2Å; A1130-A1134 PolarHBondContact O-N 3.46Å; T1131-A1134 PolarHBondContact O-N 2.73Å; F1132-A1134 VanDerWaalsContact C-N 3.34Å; F1132-A1134 PolarHBondContact O-N 2.89Å; A1134-I1137 PolarHBondContact O-N 3.49Å; A1134-A1138 WeakPolarHBondContact O-CB 3.24Å; A1134-A1138 PolarHBondContact O-N 3.26Å; A1134-L1180 HydrophobicContact CB-CD2 3.7Å; A1134-I1200 HydrophobicContact CB-CD1 3.9Å; A1134-L1209 HydrophobicContact CB-CD2 4.09Å
1135I94.1Very high92.7Very high1 Ų19.6 Ų9.61%0.0055%0.047CC..Hα-helixtrans-69-41173.8-65.2167.3000111.1N1073 A1076 I1077 T1131 F1132 V1133 I1137 A1138 R1139 I1200N1073-I1135 HydrophobicContact CB-CD1 4.24Å; A1076-I1135 HydrophobicContact CB-CB 3.77Å; A1076-I1135 HydrophobicContact CB-CD1 3.77Å; A1076-I1135 HydrophobicContact CB-CG1 4.37Å; A1076-I1135 HydrophobicContact CB-CG2 3.69Å; I1077-I1135 HydrophobicContact CG1-CG2 4.38Å; T1131-I1135 HydrophobicContact CG2-CD1 4.09Å; T1131-I1135 WeakPolarHBondContact O-CG1 3.45Å; T1131-I1135 PolarHBondContact O-N 3.14Å; F1132-I1135 PolarHBondContact O-N 2.87Å; V1133-I1135 PolarHBondContact O-N 3.31Å; I1135-I1137 VanDerWaalsContact C-N 3.27Å; I1135-I1137 PolarHBondContact O-N 2.88Å; I1135-A1138 PolarHBondContact O-N 2.93Å; I1135-R1139 HydrophobicContact CG2-CG 4.27Å; I1135-R1139 WeakPolarHBondContact O-CB 3.35Å; I1135-R1139 WeakPolarHBondContact O-CG 3.4Å; I1135-R1139 PolarHBondContact O-N 2.9Å; I1135-I1200 HydrophobicContact CD1-CG1 4.48Å; I1135-I1200 HydrophobicContact CG1-CD1 4.44Å; I1135-I1200 HydrophobicContact CG1-CG1 3.96Å; I1135-I1200 HydrophobicContact CG1-CG2 4.34Å
1136L95.3Very high92.8Very high0 Ų09.7 Ų9.70%05%0.047CC..Hα-helixtrans-62.3-32.7174.6-69.8-176.5000112.8C1079 A1080 W1093 F1132 V1133 Q1140 C1141 L1142C1079-L1136 HydrophobicContact CB-CD2 4.12Å; A1080-L1136 HydrophobicContact CB-CD2 4.28Å; W1093-L1136 HydrophobicContact CD2-CD1 4.14Å; W1093-L1136 HydrophobicContact CG-CD1 4.16Å; F1132-L1136 HydrophobicContact CD1-CD1 4.12Å; F1132-L1136 HydrophobicContact CE1-CD1 3.5Å; F1132-L1136 HydrophobicContact CE1-CG 4.33Å; F1132-L1136 HydrophobicContact CZ-CD1 3.81Å; F1132-L1136 HydrophobicContact CZ-CG 4.44Å; F1132-L1136 PolarHBondContact O-N 3.23Å; F1132-L1136 VanDerWaalsContact O-N 3.08Å; V1133-L1136 PolarHBondContact O-N 3.35Å; L1136-Q1140 PolarHBondContact O-N 2.95Å; L1136-C1141 HydrophobicContact CB-CB 4.29Å; L1136-C1141 HydrophobicContact CD2-CB 4.07Å; L1136-C1141 WeakPolarHBondContact O-CA 3.27Å; L1136-C1141 VanDerWaalsContact O-CB 3.32Å; L1136-C1141 WeakPolarHBondContact O-CB 3.28Å; L1136-C1141 PolarHBondContact O-N 2.76Å; L1136-L1142 HydrophobicContact CB-CD1 4.46Å; L1136-L1142 HydrophobicContact CD1-CD1 4.46Å; L1136-L1142 PolarHBondContact O-N 2.84Å
1137I94.7Very high93Very high1 Ų19.6 Ų9.61%0.0055%0.047CC..Hα-helixtrans-75.2-41.1173.9-73.6171.5000111.7V1133 A1134 I1135 R1139 Q1140 L1142 L1144 L1147 L1180 L1209V1133-I1137 HydrophobicContact CG1-CD1 4.05Å; V1133-I1137 PolarHBondContact O-N 3.22Å; A1134-I1137 PolarHBondContact O-N 3.49Å; I1135-I1137 VanDerWaalsContact C-N 3.27Å; I1135-I1137 PolarHBondContact O-N 2.88Å; I1137-R1139 VanDerWaalsContact C-N 3.31Å; I1137-R1139 PolarHBondContact O-N 3.43Å; I1137-Q1140 PolarHBondContact O-N 3.33Å; I1137-L1142 HydrophobicContact CG1-CB 3.97Å; I1137-L1144 HydrophobicContact CD1-CB 4.42Å; I1137-L1144 HydrophobicContact CD1-CD1 4.04Å; I1137-L1144 HydrophobicContact CG2-CB 4.08Å; I1137-L1147 HydrophobicContact CD1-CD2 3.76Å; I1137-L1180 HydrophobicContact CD1-CD1 3.89Å; I1137-L1180 HydrophobicContact CD1-CD2 3.8Å; I1137-L1209 HydrophobicContact CG2-CD1 4.19Å
1138A93.6Very high93.3Very high0 Ų07.9 Ų7.90%04%0.038CC..Hα-helixtrans-58.3-44173.700000111.5A1134 I1135 Q1140 L1208 L1209A1134-A1138 WeakPolarHBondContact O-CB 3.24Å; A1134-A1138 PolarHBondContact O-N 3.26Å; I1135-A1138 PolarHBondContact O-N 2.93Å; A1138-Q1140 PolarHBondContact O-N 3.45Å; A1138-L1208 HydrophobicContact CB-CB 3.82Å; A1138-L1209 HydrophobicContact CB-CB 4.21Å
1139R93.2Very high93.3Very high21 Ų2110.7 Ų10.78%0.0795%0.048CC..THydrogen-bonded Turntrans-80.814.3179.1-65.1-70178119.32.6115S967 A1080 I1135 I1137 C1141 D1205S967-R1139 PolarHBondContact OG-NH1 2.85Å; S967-R1139 VanDerWaalsContact OG-NH1 3.13Å; A1080-R1139 HydrophobicContact CB-CB 3.69Å; A1080-R1139 HydrophobicContact CB-CG 3.84Å; I1135-R1139 HydrophobicContact CG2-CG 4.27Å; I1135-R1139 WeakPolarHBondContact O-CB 3.35Å; I1135-R1139 WeakPolarHBondContact O-CG 3.4Å; I1135-R1139 PolarHBondContact O-N 2.9Å; I1137-R1139 VanDerWaalsContact C-N 3.31Å; I1137-R1139 PolarHBondContact O-N 3.43Å; R1139-C1141 PolarHBondContact O-N 3.18Å; R1139-C1141 VanDerWaalsContact O-N 3.09Å; R1139-C1141 PolarHBondContact O-SG 2.89Å; R1139-C1141 VanDerWaalsContact O-SG 3.35Å; R1139-D1205 IonicContact CZ-OD1 2.69Å; R1139-D1205 IonicContact CZ-OD2 3.17Å; R1139-D1205 IonicContact NE-OD1 3.81Å; R1139-D1205 PolarHBondContact NE-OD1 3.33Å; R1139-D1205 IonicContact NE-OD2 3.25Å; R1139-D1205 IonicContact NH2-OD1 3.37Å; R1139-D1205 PolarHBondContact NH2-OD1 2.58Å; R1139-D1205 IonicContact NH2-OD2 3.24Å; R1139-D1205 PolarHBondContact NH2-OD2 2.77Å
1140Q91.6Very high93.3Very high14 Ų1411.3 Ų11.37%0.0655%0.052CC..THydrogen-bonded Turntrans52.534.7177.8-61.6-79.731.500113.4A974 I1005 Y1006 L1136 I1137 A1138A974-Q1140 HydrophobicContact CB-CG 4.06Å; I1005-Q1140 HydrophobicContact CG2-CB 4.24Å; Y1006-Q1140 PolarHBondContact OH-NE2 3.08Å; L1136-Q1140 PolarHBondContact O-N 2.95Å; I1137-Q1140 PolarHBondContact O-N 3.33Å; A1138-Q1140 PolarHBondContact O-N 3.45Å
1141C92.5Very high93.2Very high2 Ų211.3 Ų11.31%0.0145%0.052CC..SBendtrans-93.4-24.3175-66.70000111.8T1083 S1090 L1136 R1139T1083-C1141 HydrophobicContact CG2-CB 3.75Å; S1090-C1141 VanDerWaalsContact CB-O 3.32Å; S1090-C1141 WeakPolarHBondContact CB-O 3.3Å; S1090-C1141 PolarHBondContact OG-O 3.42Å; L1136-C1141 HydrophobicContact CB-CB 4.29Å; L1136-C1141 HydrophobicContact CD2-CB 4.07Å; L1136-C1141 WeakPolarHBondContact O-CA 3.27Å; L1136-C1141 VanDerWaalsContact O-CB 3.32Å; L1136-C1141 WeakPolarHBondContact O-CB 3.28Å; L1136-C1141 PolarHBondContact O-N 2.76Å; R1139-C1141 PolarHBondContact O-N 3.18Å; R1139-C1141 VanDerWaalsContact O-N 3.09Å; R1139-C1141 PolarHBondContact O-SG 2.89Å; R1139-C1141 VanDerWaalsContact O-SG 3.35Å
1142L92.8Very high93.3Very high6 Ų611.5 Ų11.53%0.0315%0.054CC..SBendtrans-133.6146.3166.3-70.2174.2000109S1090 W1093 L1094 L1097 L1136 I1137S1090-L1142 WeakPolarHBondContact O-CD2 3.29Å; W1093-L1142 HydrophobicContact CB-CD1 4.18Å; W1093-L1142 HydrophobicContact CB-CD2 4.12Å; W1093-L1142 HydrophobicContact CB-CG 4.39Å; L1094-L1142 HydrophobicContact CB-CD2 3.99Å; L1094-L1142 HydrophobicContact CD1-CD2 4.49Å; L1097-L1142 HydrophobicContact CD1-CD1 3.62Å; L1136-L1142 HydrophobicContact CB-CD1 4.46Å; L1136-L1142 HydrophobicContact CD1-CD1 4.46Å; L1136-L1142 PolarHBondContact O-N 2.84Å; I1137-L1142 HydrophobicContact CG1-CB 3.97Å
1143L91.9Very high93.1Very high27 Ų2713 Ų1314%0.1416%0.062CC..  trans-86.4136.9167.6-60.5175.8000109.2Y1006 E1145 D1146 L1147Y1006-L1143 HydrophobicContact CD1-CD2 3.83Å; Y1006-L1143 HydrophobicContact CE1-CD2 4.09Å; L1143-E1145 PolarHBondContact O-N 3.38Å; L1143-D1146 HydrophobicContact CB-CB 4.16Å; L1143-D1146 PolarHBondContact O-N 2.97Å; L1143-D1146 VanDerWaalsContact O-N 3.15Å; L1143-L1147 PolarHBondContact O-N 3.23Å; L1143-L1147 VanDerWaalsContact O-N 3.11Å
1144L92.9Very high92.9Very high11 Ų1115.1 Ų15.16%0.0588%0.076CC..Hα-helixtrans-58.2-37.7176.8178.656.3000111.7I1137 L1147 I1148 L1180 I1216I1137-L1144 HydrophobicContact CD1-CB 4.42Å; I1137-L1144 HydrophobicContact CD1-CD1 4.04Å; I1137-L1144 HydrophobicContact CG2-CB 4.08Å; L1144-L1147 PolarHBondContact O-N 2.81Å; L1144-I1148 HydrophobicContact CD1-CD1 4.01Å; L1144-I1148 HydrophobicContact CD1-CG1 4.44Å; L1144-I1148 HydrophobicContact CG-CD1 3.95Å; L1144-I1148 WeakPolarHBondContact O-CB 3.3Å; L1144-I1148 WeakPolarHBondContact O-CD1 3.42Å; L1144-I1148 VanDerWaalsContact O-CG1 3.26Å; L1144-I1148 WeakPolarHBondContact O-CG1 3.3Å; L1144-I1148 PolarHBondContact O-N 3.26Å; L1144-L1180 HydrophobicContact CD1-CB 4.26Å; L1144-L1180 HydrophobicContact CD1-CD1 3.87Å; L1144-I1216 HydrophobicContact CD2-CB 4.36Å; L1144-I1216 HydrophobicContact CD2-CD1 3.87Å; L1144-I1216 HydrophobicContact CD2-CG1 4.36Å; L1144-I1216 HydrophobicContact CG-CD1 4.03Å
1145E91.2Very high92.7Very high68 Ų6815.3 Ų15.332%0.3188%0.077SC..Hα-helixtrans-64.4-42.3175.6-69.2166.7-155.800112.5L1143 I1148 R1149 I1216 V1217 A1220L1143-E1145 PolarHBondContact O-N 3.38Å; E1145-I1148 PolarHBondContact O-N 3.22Å; E1145-R1149 WeakPolarHBondContact O-CB 3.42Å; E1145-R1149 PolarHBondContact O-N 2.99Å; E1145-I1216 HydrophobicContact CG-CG1 3.96Å; E1145-I1216 WeakPolarHBondContact OE1-CA 3.32Å; E1145-V1217 WeakPolarHBondContact OE1-CG2 3.22Å; E1145-V1217 PolarHBondContact OE1-N 3.29Å; E1145-A1220 HydrophobicContact CG-CB 4.26Å
1146D92.3Very high92.6Very high5 Ų515.3 Ų15.33%0.0278%0.077CC..Hα-helixtrans-66.2-39.3177.4-78.9-16.6000111.5V1009 L1094 L1143 R1149 C1150V1009-D1146 PolarHBondContact N-OD2 2.85Å; L1094-D1146 HydrophobicContact CD2-CB 4.09Å; L1143-D1146 HydrophobicContact CB-CB 4.16Å; L1143-D1146 PolarHBondContact O-N 2.97Å; L1143-D1146 VanDerWaalsContact O-N 3.15Å; D1146-R1149 IonicContact OD1-CZ 2.71Å; D1146-R1149 IonicContact OD1-NE 3.55Å; D1146-R1149 PolarHBondContact OD1-NE 3.44Å; D1146-R1149 IonicContact OD1-NH2 2.7Å; D1146-R1149 PolarHBondContact OD1-NH2 3.45Å; D1146-C1150 WeakPolarHBondContact O-CB 3.45Å; D1146-C1150 PolarHBondContact O-N 2.87Å; D1146-C1150 PolarHBondContact O-SG 2.73Å
1147L94.6Very high92.2Very high5 Ų517.9 Ų17.93%0.0269%0.091CC..Hα-helixtrans-62.9-43.8173.8-177.268000111.7L1094 L1097 V1133 I1137 L1143 L1144 A1151 A1152 I1176 L1180L1094-L1147 HydrophobicContact CD1-CB 4.48Å; L1094-L1147 HydrophobicContact CD1-CD1 4.33Å; L1097-L1147 HydrophobicContact CB-CD1 4.08Å; L1097-L1147 HydrophobicContact CD1-CD1 3.9Å; V1133-L1147 HydrophobicContact CG1-CD2 3.59Å; I1137-L1147 HydrophobicContact CD1-CD2 3.76Å; L1143-L1147 PolarHBondContact O-N 3.23Å; L1143-L1147 VanDerWaalsContact O-N 3.11Å; L1144-L1147 PolarHBondContact O-N 2.81Å; L1147-A1151 HydrophobicContact CD1-CB 4.06Å; L1147-A1151 PolarHBondContact O-N 2.97Å; L1147-A1151 VanDerWaalsContact O-N 3.07Å; L1147-A1152 PolarHBondContact O-N 3.24Å; L1147-I1176 HydrophobicContact CD2-CG2 4.17Å; L1147-L1180 HydrophobicContact CD2-CD1 3.61Å
1148I94.5Very high91.8Very high3 Ų320.6 Ų20.62%0.01511%0.105CC..Iπ-helixtrans-62.2-49178.3-74.4165.7000110.8L1144 E1145 A1152 I1153 L1177 F1181 I1216 A1220 V1224L1144-I1148 HydrophobicContact CD1-CD1 4.01Å; L1144-I1148 HydrophobicContact CD1-CG1 4.44Å; L1144-I1148 HydrophobicContact CG-CD1 3.95Å; L1144-I1148 WeakPolarHBondContact O-CB 3.3Å; L1144-I1148 WeakPolarHBondContact O-CD1 3.42Å; L1144-I1148 VanDerWaalsContact O-CG1 3.26Å; L1144-I1148 WeakPolarHBondContact O-CG1 3.3Å; L1144-I1148 PolarHBondContact O-N 3.26Å; E1145-I1148 PolarHBondContact O-N 3.22Å; I1148-A1152 PolarHBondContact O-N 2.83Å; I1148-I1153 HydrophobicContact CG2-CD1 3.55Å; I1148-I1153 HydrophobicContact CG2-CG1 4.04Å; I1148-I1153 WeakPolarHBondContact O-CG1 3.24Å; I1148-I1153 PolarHBondContact O-N 2.89Å; I1148-L1177 HydrophobicContact CG1-CD2 4.26Å; I1148-F1181 HydrophobicContact CD1-CE2 4.1Å; I1148-F1181 HydrophobicContact CD1-CZ 4.06Å; I1148-I1216 HydrophobicContact CD1-CD1 3.61Å; I1148-A1220 HydrophobicContact CD1-CB 4.48Å; I1148-A1220 HydrophobicContact CG2-CB 4.4Å; I1148-V1224 HydrophobicContact CB-CG2 4.34Å; I1148-V1224 HydrophobicContact CD1-CG2 3.75Å; I1148-V1224 HydrophobicContact CG1-CG2 3.75Å; I1148-V1224 HydrophobicContact CG2-CG2 3.66Å
1149R92.2Very high91.5Very high59 Ų5920.7 Ų20.722%0.22311%0.106CC..Iπ-helixtrans-66.1-46.8-178.4-178.9177.262.886.50.3113V1009 E1010 E1145 D1146V1009-R1149 PolarHBondContact O-NH2 3.42Å; E1010-R1149 IonicContact OE1-CZ 3.13Å; E1010-R1149 IonicContact OE1-NH1 2.73Å; E1010-R1149 PolarHBondContact OE1-NH1 3.35Å; E1010-R1149 IonicContact OE1-NH2 2.77Å; E1010-R1149 PolarHBondContact OE1-NH2 3.48Å; E1145-R1149 WeakPolarHBondContact O-CB 3.42Å; E1145-R1149 PolarHBondContact O-N 2.99Å; D1146-R1149 IonicContact OD1-CZ 2.71Å; D1146-R1149 IonicContact OD1-NE 3.55Å; D1146-R1149 PolarHBondContact OD1-NE 3.44Å; D1146-R1149 IonicContact OD1-NH2 2.7Å; D1146-R1149 PolarHBondContact OD1-NH2 3.45Å
1150C91.9Very high91Very high13 Ų1320.9 Ų20.99%0.08811%0.112CC..Iπ-helixtrans-95.2-21.1-168.3-63.50000115P1011 L1094 D1146P1011-C1150 HydrophobicContact CG-CB 4.18Å; L1094-C1150 HydrophobicContact CD1-CB 4.18Å; L1094-C1150 HydrophobicContact CD2-CB 4.02Å; L1094-C1150 HydrophobicContact CG-CB 4.13Å; D1146-C1150 WeakPolarHBondContact O-CB 3.45Å; D1146-C1150 PolarHBondContact O-N 2.87Å; D1146-C1150 PolarHBondContact O-SG 2.73Å
1151A91.6Very high90.3Very high0 Ų025.7 Ų25.70%015%0.146CC..Iπ-helixtrans-126.9-50.1-177.300000113.2K1098 C1101 L1147 S1155K1098-A1151 HydrophobicContact CB-CB 4.15Å; C1101-A1151 HydrophobicContact CB-CB 4.46Å; L1147-A1151 HydrophobicContact CD1-CB 4.06Å; L1147-A1151 PolarHBondContact O-N 2.97Å; L1147-A1151 VanDerWaalsContact O-N 3.07Å; A1151-S1155 WeakPolarHBondContact O-CB 3.41Å; A1151-S1155 PolarHBondContact O-N 2.87Å
1152A93.2Very high89.3Confident5 Ų528.1 Ų28.14%0.04116%0.163CC..Iπ-helixtrans-72.6-51.4-168.300000113.4L1147 I1148 S1155 L1156 T1173 L1177L1147-A1152 PolarHBondContact O-N 3.24Å; I1148-A1152 PolarHBondContact O-N 2.83Å; A1152-S1155 PolarHBondContact O-N 3.02Å; A1152-L1156 VanDerWaalsContact O-CG 3.3Å; A1152-L1156 WeakPolarHBondContact O-CG 3.48Å; A1152-L1156 PolarHBondContact O-N 3.5Å; A1152-L1156 VanDerWaalsContact O-N 3.09Å; A1152-T1173 HydrophobicContact CB-CG2 3.71Å; A1152-L1177 HydrophobicContact CB-CD1 4.22Å; A1152-L1177 HydrophobicContact CB-CD2 4.22Å; A1152-L1177 HydrophobicContact CB-CG 4.41Å
1153I92.2Very high87.5Confident31 Ų3136.4 Ų36.416%0.15920%0.201CC..Hα-helixtrans-62.4-46.3179.4-66.2161.3000111.6I1148 S1155 L1156 L1157 A1223I1148-I1153 HydrophobicContact CG2-CD1 3.55Å; I1148-I1153 HydrophobicContact CG2-CG1 4.04Å; I1148-I1153 WeakPolarHBondContact O-CG1 3.24Å; I1148-I1153 PolarHBondContact O-N 2.89Å; I1153-S1155 VanDerWaalsContact C-N 3.34Å; I1153-S1155 PolarHBondContact O-N 3.48Å; I1153-L1156 PolarHBondContact O-N 3.32Å; I1153-L1157 HydrophobicContact CG2-CD1 3.6Å; I1153-L1157 HydrophobicContact CG2-CG 4.13Å; I1153-L1157 WeakPolarHBondContact O-CB 3.34Å; I1153-L1157 WeakPolarHBondContact O-CG 3.47Å; I1153-L1157 PolarHBondContact O-N 3.38Å; I1153-A1223 HydrophobicContact CD1-CB 3.54Å; I1153-A1223 HydrophobicContact CG1-CB 4.44Å
1154P90.3Very high86.3Confident46 Ų4641.5 Ų41.530%0.29922%0.224SC..Hα-helixtrans-56.8-42.1174.8-27.836.3000114N1158P1154-N1158 WeakPolarHBondContact O-CB 3.48Å; P1154-N1158 PolarHBondContact O-N 3.14Å
1155S91.1Very high85.3Confident3 Ų347.2 Ų47.22%0.02126%0.255CS..Hα-helixtrans-61.8-52.9178178.60000112.2C1101 A1151 A1152 I1153 L1157 N1158 A1159 G1169 A1170 T1173C1101-S1155 VanDerWaalsContact O-CB 3.24Å; C1101-S1155 WeakPolarHBondContact O-CB 3.48Å; C1101-S1155 PolarHBondContact O-OG 3.34Å; A1151-S1155 WeakPolarHBondContact O-CB 3.41Å; A1151-S1155 PolarHBondContact O-N 2.87Å; A1152-S1155 PolarHBondContact O-N 3.02Å; I1153-S1155 VanDerWaalsContact C-N 3.34Å; I1153-S1155 PolarHBondContact O-N 3.48Å; S1155-L1157 PolarHBondContact O-N 3.09Å; S1155-N1158 PolarHBondContact O-N 3.06Å; S1155-A1159 PolarHBondContact O-N 2.82Å; S1155-G1169 PolarHBondContact OG-O 3.07Å; S1155-A1170 WeakPolarHBondContact OG-CA 3.35Å; S1155-A1170 PolarHBondContact OG-N 2.64Å; S1155-T1173 WeakPolarHBondContact CB-OG1 3.34Å; S1155-T1173 PolarHBondContact OG-OG1 3.2Å
1156L91.7Very high84.9Confident1 Ų144.3 Ų44.31%0.00524%0.242CC..Hα-helixtrans-63.4-41-177.5-64.4171000112.2A1152 I1153 A1159 A1160 T1173 L1177 A1227 V1228 L1231A1152-L1156 VanDerWaalsContact O-CG 3.3Å; A1152-L1156 WeakPolarHBondContact O-CG 3.48Å; A1152-L1156 PolarHBondContact O-N 3.5Å; A1152-L1156 VanDerWaalsContact O-N 3.09Å; I1153-L1156 PolarHBondContact O-N 3.32Å; L1156-A1159 PolarHBondContact O-N 2.88Å; L1156-A1160 PolarHBondContact O-N 2.92Å; L1156-A1160 VanDerWaalsContact O-N 3.07Å; L1156-T1173 HydrophobicContact CD1-CG2 4.3Å; L1156-T1173 HydrophobicContact CD2-CG2 4.08Å; L1156-T1173 HydrophobicContact CG-CG2 3.9Å; L1156-L1177 HydrophobicContact CD1-CD1 3.8Å; L1156-A1227 HydrophobicContact CB-CB 3.97Å; L1156-A1227 HydrophobicContact CD1-CB 3.69Å; L1156-V1228 HydrophobicContact CD1-CG2 3.65Å; L1156-V1228 HydrophobicContact CD2-CG2 4.47Å; L1156-L1231 HydrophobicContact CD2-CD2 3.52Å
1157L86.4Confident84.7Confident55 Ų5547.2 Ų47.229%0.28826%0.256SS..Hα-helixtrans-71.8-37.8179.4-67.2-179.6000112.5I1153 S1155 A1159 A1160 C1161I1153-L1157 HydrophobicContact CG2-CD1 3.6Å; I1153-L1157 HydrophobicContact CG2-CG 4.13Å; I1153-L1157 WeakPolarHBondContact O-CB 3.34Å; I1153-L1157 WeakPolarHBondContact O-CG 3.47Å; I1153-L1157 PolarHBondContact O-N 3.38Å; S1155-L1157 PolarHBondContact O-N 3.09Å; L1157-A1159 VanDerWaalsContact C-N 3.34Å; L1157-A1160 PolarHBondContact O-N 3.11Å; L1157-C1161 PolarHBondContact O-N 2.64Å; L1157-C1161 PolarHBondContact O-SG 3.31Å
1158N85.8Confident84.5Confident58 Ų5848.7 Ų48.731%0.3127%0.265SS..Hα-helixtrans-62.6-42.4173.6-75.4-6.8000111.2N1105 P1154 S1155 A1160 C1161 S1162N1105-N1158 PolarHBondContact OD1-ND2 2.71Å; P1154-N1158 WeakPolarHBondContact O-CB 3.48Å; P1154-N1158 PolarHBondContact O-N 3.14Å; S1155-N1158 PolarHBondContact O-N 3.06Å; N1158-A1160 VanDerWaalsContact C-N 3.32Å; N1158-A1160 PolarHBondContact O-N 2.89Å; N1158-C1161 CarbonylContact O-C 3.59Å; N1158-C1161 PolarHBondContact O-N 3.15Å; N1158-S1162 WeakPolarHBondContact O-CB 3.46Å; N1158-S1162 PolarHBondContact O-N 3.13Å
1159A87Confident84.3Confident2 Ų248.5 Ų48.52%0.01726%0.264CS..Hα-helixtrans-69-26.4177.600000114S1155 L1156 L1157 C1161 S1166 A1170 L1231 L1276S1155-A1159 PolarHBondContact O-N 2.82Å; L1156-A1159 PolarHBondContact O-N 2.88Å; L1157-A1159 VanDerWaalsContact C-N 3.34Å; A1159-C1161 PolarHBondContact O-N 2.93Å; A1159-S1166 WeakPolarHBondContact CA-OG 3.43Å; A1159-A1170 HydrophobicContact CB-CB 3.38Å; A1159-L1231 HydrophobicContact CB-CD1 3.81Å; A1159-L1276 HydrophobicContact CB-CD2 4.23Å
1160A82.8Confident84.3Confident24 Ų2445.7 Ų45.720%0.19825%0.254CS..THydrogen-bonded Turntrans-74.4-10.6170.400000113.6L1156 L1157 N1158 V1230 L1231L1156-A1160 PolarHBondContact O-N 2.92Å; L1156-A1160 VanDerWaalsContact O-N 3.07Å; L1157-A1160 PolarHBondContact O-N 3.11Å; N1158-A1160 VanDerWaalsContact C-N 3.32Å; N1158-A1160 PolarHBondContact O-N 2.89Å; A1160-V1230 HydrophobicContact CB-CG1 3.91Å; A1160-L1231 HydrophobicContact CB-CD1 4.23Å
1161C78.3Confident84.3Confident116 Ų11646.2 Ų46.278%0.78425%0.254SS*.SBendtrans-1182.1-174.7-610000114.6L1157 N1158 A1159L1157-C1161 PolarHBondContact O-N 2.64Å; L1157-C1161 PolarHBondContact O-SG 3.31Å; N1158-C1161 CarbonylContact O-C 3.59Å; N1158-C1161 PolarHBondContact O-N 3.15Å; A1159-C1161 PolarHBondContact O-N 2.93Å
1162S69.9Low84.4Confident52 Ų5246.2 Ų46.236%0.36425%0.254SS..SBendtrans-133.1146.2-172.1-176.50000111.5N1158 S1166N1158-S1162 WeakPolarHBondContact O-CB 3.46Å; N1158-S1162 PolarHBondContact O-N 3.13Å; S1162-S1166 WeakPolarHBondContact CB-OG 3.49Å
1163E56.5Low84.5Confident181 Ų18146.1 Ų46.185%0.84625%0.253SS*.SBendtrans-85.8-13.4-163.9-65.4-167.8147.200115.8
1164Q65.2Low84.7Confident133 Ų13344.6 Ų44.662%0.62125%0.245SC*.SBendtrans-160.6-57.9174.9-121.613110000116.2S1166 E1167Q1164-S1166 PolarHBondContact O-N 3.32Å; Q1164-E1167 PolarHBondContact O-N 3.07Å; Q1164-E1167 VanDerWaalsContact O-N 3.11Å
1165D72.5Confident84.8Confident132 Ų13243.8 Ų43.871%0.70624%0.236SC*.THydrogen-bonded Turntrans-61.2-19.3-160.1-58.6-32.8000115.8
1166S83.4Confident85Confident6 Ų644 Ų444%0.04224%0.237CC..THydrogen-bonded Turntrans-86.8-8.9-178.244.10000115.3A1159 S1162 Q1164 A1170A1159-S1166 WeakPolarHBondContact CA-OG 3.43Å; S1162-S1166 WeakPolarHBondContact CB-OG 3.49Å; Q1164-S1166 PolarHBondContact O-N 3.32Å; S1166-A1170 PolarHBondContact O-N 2.97Å
1167E87.8Confident85.1Confident67 Ų6744.1 Ų44.131%0.31324%0.237SC..Hα-helixtrans-57.1-45.2-176.6165.7161.3-167.300114.4Q1164 G1169 A1170 R1171 L1276Q1164-E1167 PolarHBondContact O-N 3.07Å; Q1164-E1167 VanDerWaalsContact O-N 3.11Å; E1167-G1169 PolarHBondContact O-N 3.12Å; E1167-A1170 PolarHBondContact O-N 3.34Å; E1167-R1171 WeakPolarHBondContact O-CB 3.16Å; E1167-R1171 PolarHBondContact O-N 3.44Å; E1167-R1171 IonicContact OE1-CZ 3.3Å; E1167-R1171 IonicContact OE1-NE 3.85Å; E1167-R1171 IonicContact OE1-NH2 3.77Å; E1167-R1171 PolarHBondContact OE1-NH2 3.03Å; E1167-L1276 HydrophobicContact CB-CD2 4.14Å; E1167-L1276 HydrophobicContact CG-CB 4.11Å; E1167-L1276 HydrophobicContact CG-CD2 4.06Å; E1167-L1276 PolarHBondContact OE1-N 2.85Å
1168P89.1Confident85.4Confident35 Ų3542.3 Ų42.323%0.22723%0.228CC..Hα-helixtrans-59.5-46.8-177.4-27.336.7000113.8V1120 A1170 R1171 L1172V1120-P1168 HydrophobicContact CB-CB 4.18Å; V1120-P1168 HydrophobicContact CG1-CB 4.04Å; P1168-A1170 PolarHBondContact O-N 3.04Å; P1168-R1171 PolarHBondContact O-N 3.4Å; P1168-L1172 PolarHBondContact O-N 3.33Å
1169G91.2Very high85.6Confident0 Ų041.2 Ų41.20%022%0.221CC..Hα-helixtrans-65.8-36.8-179.900000112.9C1101 S1155 E1167 T1173C1101-G1169 CarbonylContact O-C 3.16Å; C1101-G1169 VanDerWaalsContact O-CA 3.32Å; C1101-G1169 WeakPolarHBondContact O-CA 3.31Å; S1155-G1169 PolarHBondContact OG-O 3.07Å; E1167-G1169 PolarHBondContact O-N 3.12Å; G1169-T1173 WeakPolarHBondContact O-CB 3.16Å; G1169-T1173 PolarHBondContact O-N 3.43Å; G1169-T1173 PolarHBondContact O-OG1 2.9Å
1170A92.4Very high85.9Confident0 Ų041.2 Ų41.20%022%0.22CC..Hα-helixtrans-71.5-35.5174.300000112.7S1155 A1159 S1166 E1167 P1168 T1173 C1174 L1231 L1276S1155-A1170 WeakPolarHBondContact OG-CA 3.35Å; S1155-A1170 PolarHBondContact OG-N 2.64Å; A1159-A1170 HydrophobicContact CB-CB 3.38Å; S1166-A1170 PolarHBondContact O-N 2.97Å; E1167-A1170 PolarHBondContact O-N 3.34Å; P1168-A1170 PolarHBondContact O-N 3.04Å; A1170-T1173 WeakPolarHBondContact O-CB 3.26Å; A1170-T1173 PolarHBondContact O-N 2.93Å; A1170-C1174 WeakPolarHBondContact O-CB 3.34Å; A1170-C1174 PolarHBondContact O-N 3.39Å; A1170-L1231 HydrophobicContact CB-CD2 4.19Å; A1170-L1276 HydrophobicContact CB-CD1 4.46Å; A1170-L1276 HydrophobicContact CB-CD2 3.93Å
1171R92.8Very high86.3Confident24 Ų2440 Ų409%0.09121%0.211CC..Hα-helixtrans-63.5-45.8173.5-173175.5-66.1-94.7-5.5111.7L1123 E1167 P1168 C1174 R1175 E1272 A1274 L1276 Y1279L1123-R1171 HydrophobicContact CD2-CG 4.4Å; E1167-R1171 WeakPolarHBondContact O-CB 3.16Å; E1167-R1171 PolarHBondContact O-N 3.44Å; E1167-R1171 IonicContact OE1-CZ 3.3Å; E1167-R1171 IonicContact OE1-NE 3.85Å; E1167-R1171 IonicContact OE1-NH2 3.77Å; E1167-R1171 PolarHBondContact OE1-NH2 3.03Å; P1168-R1171 PolarHBondContact O-N 3.4Å; R1171-C1174 WeakPolarHBondContact O-CB 3.48Å; R1171-C1174 PolarHBondContact O-N 3.18Å; R1171-R1175 PolarHBondContact O-N 3.25Å; R1171-E1272 PolarHBondContact NH1-O 3.43Å; R1171-A1274 VanDerWaalsContact CZ-O 3.26Å; R1171-A1274 PolarHBondContact NH1-O 3.09Å; R1171-A1274 PolarHBondContact NH2-O 3.39Å; R1171-L1276 HydrophobicContact CB-CD1 4.1Å; R1171-Y1279 HydrophobicContact CG-CD1 4.21Å; R1171-Y1279 HydrophobicContact CG-CE1 4.21Å
1172L93.6Very high86.8Confident0 Ų040.1 Ų40.10%020%0.198CC..Hα-helixtrans-58.9-46.7172.8175.160.3000111.1L1100 V1120 H1126 L1129 P1168 C1174 R1175 I1176L1100-L1172 HydrophobicContact CB-CD2 4.13Å; V1120-L1172 HydrophobicContact CG1-CB 4.34Å; V1120-L1172 HydrophobicContact CG1-CD2 4.04Å; H1126-L1172 HydrophobicContact CB-CD1 4.21Å; L1129-L1172 HydrophobicContact CD2-CD1 4.09Å; L1129-L1172 HydrophobicContact CD2-CD2 3.96Å; P1168-L1172 PolarHBondContact O-N 3.33Å; L1172-C1174 VanDerWaalsContact C-N 3.34Å; L1172-C1174 PolarHBondContact O-N 2.9Å; L1172-R1175 PolarHBondContact O-N 3.27Å; L1172-R1175 VanDerWaalsContact O-N 3.09Å; L1172-I1176 HydrophobicContact CD1-CD1 3.91Å; L1172-I1176 HydrophobicContact CD1-CG1 4.13Å; L1172-I1176 HydrophobicContact CG-CD1 3.88Å; L1172-I1176 HydrophobicContact CG-CG1 4.48Å; L1172-I1176 WeakPolarHBondContact O-CG1 3.45Å; L1172-I1176 PolarHBondContact O-N 2.83Å
1173T95.1Very high87.3Confident2 Ų241 Ų411%0.01220%0.201CC..Hα-helixtrans-56.8-46.1175.9-61.80000111.9C1101 A1152 S1155 L1156 G1169 A1170 R1175 I1176 L1177C1101-T1173 VanDerWaalsContact CB-OG1 3.28Å; C1101-T1173 WeakPolarHBondContact CB-OG1 3.3Å; C1101-T1173 PolarHBondContact SG-OG1 3.07Å; C1101-T1173 VanDerWaalsContact SG-OG1 3.4Å; A1152-T1173 HydrophobicContact CB-CG2 3.71Å; S1155-T1173 WeakPolarHBondContact CB-OG1 3.34Å; S1155-T1173 PolarHBondContact OG-OG1 3.2Å; L1156-T1173 HydrophobicContact CD1-CG2 4.3Å; L1156-T1173 HydrophobicContact CD2-CG2 4.08Å; L1156-T1173 HydrophobicContact CG-CG2 3.9Å; G1169-T1173 WeakPolarHBondContact O-CB 3.16Å; G1169-T1173 PolarHBondContact O-N 3.43Å; G1169-T1173 PolarHBondContact O-OG1 2.9Å; A1170-T1173 WeakPolarHBondContact O-CB 3.26Å; A1170-T1173 PolarHBondContact O-N 2.93Å; T1173-R1175 VanDerWaalsContact C-N 3.33Å; T1173-R1175 PolarHBondContact O-N 2.99Å; T1173-I1176 PolarHBondContact O-N 3.23Å; T1173-L1177 HydrophobicContact CG2-CD1 3.97Å; T1173-L1177 HydrophobicContact CG2-CG 4.46Å; T1173-L1177 WeakPolarHBondContact O-CB 3.08Å; T1173-L1177 VanDerWaalsContact O-CG 3.31Å; T1173-L1177 WeakPolarHBondContact O-CG 3.48Å; T1173-L1177 PolarHBondContact O-N 2.86Å
1174C94.9Very high88Confident0 Ų033.6 Ų33.60%017%0.169CC..Hα-helixtrans-59.8-38.7174.8-85.10000112.7A1170 R1171 L1172 L1178 Y1279 V1283A1170-C1174 WeakPolarHBondContact O-CB 3.34Å; A1170-C1174 PolarHBondContact O-N 3.39Å; R1171-C1174 WeakPolarHBondContact O-CB 3.48Å; R1171-C1174 PolarHBondContact O-N 3.18Å; L1172-C1174 VanDerWaalsContact C-N 3.34Å; L1172-C1174 PolarHBondContact O-N 2.9Å; C1174-L1178 VanDerWaalsContact O-CB 3.31Å; C1174-L1178 WeakPolarHBondContact O-CB 3.5Å; C1174-L1178 PolarHBondContact O-N 3.41Å; C1174-Y1279 HydrophobicContact CB-CD1 3.96Å; C1174-Y1279 HydrophobicContact CB-CE1 3.8Å; C1174-V1283 HydrophobicContact CB-CG1 4.47Å; C1174-V1283 HydrophobicContact CB-CG2 4.2Å
1175R92.8Very high88.1Confident29 Ų2933.6 Ų33.611%0.10917%0.169CC..Hα-helixtrans-72.5-40.8177.3-173.948.2159.2-121.5-13112.6H1126 D1127 R1171 L1172 T1173 L1178 H1179 E1272 Y1279H1126-R1175 HydrophobicContact CB-CB 4.47Å; H1126-R1175 HydrophobicContact CB-CG 4.07Å; D1127-R1175 VanDerWaalsContact CG-NH2 3.25Å; D1127-R1175 IonicContact OD1-CZ 3.78Å; D1127-R1175 VanDerWaalsContact OD1-CZ 3.22Å; D1127-R1175 IonicContact OD1-NE 2.68Å; D1127-R1175 PolarHBondContact OD1-NE 3.45Å; D1127-R1175 IonicContact OD1-NH2 2.7Å; D1127-R1175 PolarHBondContact OD1-NH2 3.03Å; D1127-R1175 IonicContact OD2-CZ 2.67Å; D1127-R1175 IonicContact OD2-NE 2.65Å; D1127-R1175 IonicContact OD2-NH2 2.75Å; D1127-R1175 PolarHBondContact OD2-NH2 3.23Å; R1171-R1175 PolarHBondContact O-N 3.25Å; L1172-R1175 PolarHBondContact O-N 3.27Å; L1172-R1175 VanDerWaalsContact O-N 3.09Å; T1173-R1175 VanDerWaalsContact C-N 3.33Å; T1173-R1175 PolarHBondContact O-N 2.99Å; R1175-L1178 PolarHBondContact O-N 2.99Å; R1175-H1179 PolarHBondContact O-N 2.9Å; R1175-E1272 IonicContact CZ-OE1 2.74Å; R1175-E1272 IonicContact NH1-OE1 3.67Å; R1175-E1272 PolarHBondContact NH1-OE1 3.48Å; R1175-E1272 IonicContact NH2-OE1 3.02Å; R1175-E1272 PolarHBondContact NH2-OE1 3.38Å; R1175-Y1279 PolarHBondContact NH1-OH 3.33Å
1176I94.9Very high87.4Confident7 Ų729.4 Ų29.44%0.03615%0.146CC..Hα-helixtrans-59-49.4172.9-68.7170.5000110A1130 V1133 L1147 L1172 T1173 L1178 H1179 L1180A1130-I1176 HydrophobicContact CB-CG1 4.19Å; V1133-I1176 HydrophobicContact CG1-CG2 4.12Å; L1147-I1176 HydrophobicContact CD2-CG2 4.17Å; L1172-I1176 HydrophobicContact CD1-CD1 3.91Å; L1172-I1176 HydrophobicContact CD1-CG1 4.13Å; L1172-I1176 HydrophobicContact CG-CD1 3.88Å; L1172-I1176 HydrophobicContact CG-CG1 4.48Å; L1172-I1176 WeakPolarHBondContact O-CG1 3.45Å; L1172-I1176 PolarHBondContact O-N 2.83Å; T1173-I1176 PolarHBondContact O-N 3.23Å; I1176-L1178 PolarHBondContact O-N 3.25Å; I1176-H1179 PolarHBondContact O-N 2.94Å; I1176-L1180 HydrophobicContact CG2-CD1 3.57Å; I1176-L1180 HydrophobicContact CG2-CG 4.26Å; I1176-L1180 WeakPolarHBondContact O-CB 3.37Å; I1176-L1180 VanDerWaalsContact O-CG 3.26Å; I1176-L1180 WeakPolarHBondContact O-CG 3.23Å; I1176-L1180 PolarHBondContact O-N 2.83Å
1177L95.1Very high86Confident3 Ų330.7 Ų30.72%0.01615%0.152CC..Hα-helixtrans-61.1-43.4176.6-72.5169.9000112.4I1148 A1152 L1156 T1173 H1179 L1180 F1181 V1224 V1228 I1287I1148-L1177 HydrophobicContact CG1-CD2 4.26Å; A1152-L1177 HydrophobicContact CB-CD1 4.22Å; A1152-L1177 HydrophobicContact CB-CD2 4.22Å; A1152-L1177 HydrophobicContact CB-CG 4.41Å; L1156-L1177 HydrophobicContact CD1-CD1 3.8Å; T1173-L1177 HydrophobicContact CG2-CD1 3.97Å; T1173-L1177 HydrophobicContact CG2-CG 4.46Å; T1173-L1177 WeakPolarHBondContact O-CB 3.08Å; T1173-L1177 VanDerWaalsContact O-CG 3.31Å; T1173-L1177 WeakPolarHBondContact O-CG 3.48Å; T1173-L1177 PolarHBondContact O-N 2.86Å; L1177-H1179 VanDerWaalsContact C-N 3.31Å; L1177-H1179 PolarHBondContact O-N 3.14Å; L1177-L1180 PolarHBondContact O-N 3.27Å; L1177-F1181 HydrophobicContact CD2-CD2 4.35Å; L1177-F1181 HydrophobicContact CD2-CE2 3.92Å; L1177-F1181 WeakPolarHBondContact O-CB 3.24Å; L1177-F1181 WeakPolarHBondContact O-CD2 3.35Å; L1177-F1181 PolarHBondContact O-N 2.78Å; L1177-V1224 HydrophobicContact CD1-CG1 4.1Å; L1177-V1224 HydrophobicContact CD2-CG1 4.11Å; L1177-V1224 HydrophobicContact CD2-CG2 3.93Å; L1177-V1228 HydrophobicContact CD1-CG2 4.18Å; L1177-I1287 HydrophobicContact CB-CD1 4.46Å
1178L91.8Very high84Confident17 Ų1732.1 Ų32.19%0.08917%0.168CC..Hα-helixtrans-58.7-42.9176.5-178.265.5000111.7C1174 R1175 I1176 K1182 Y1282 V1283C1174-L1178 VanDerWaalsContact O-CB 3.31Å; C1174-L1178 WeakPolarHBondContact O-CB 3.5Å; C1174-L1178 PolarHBondContact O-N 3.41Å; R1175-L1178 PolarHBondContact O-N 2.99Å; I1176-L1178 PolarHBondContact O-N 3.25Å; L1178-K1182 WeakPolarHBondContact O-CB 3.07Å; L1178-K1182 PolarHBondContact O-N 2.63Å; L1178-Y1282 HydrophobicContact CD2-CE1 4.06Å; L1178-V1283 HydrophobicContact CB-CG1 4.22Å; L1178-V1283 HydrophobicContact CB-CG2 4.35Å; L1178-V1283 HydrophobicContact CD2-CG2 4.28Å
1179H90.4Very high81.6Confident36 Ų3635.2 Ų35.217%0.16719%0.189CC..Hα-helixtrans-69.6-40.4178.1-159.1118.6000111.8A1130 T1131 R1175 I1176 L1177A1130-H1179 HydrophobicContact CB-CB 3.78Å; T1131-H1179 PolarHBondContact OG1-CE1 3.41Å; T1131-H1179 VanDerWaalsContact OG1-CE1 3.29Å; R1175-H1179 PolarHBondContact O-N 2.9Å; I1176-H1179 PolarHBondContact O-N 2.94Å; L1177-H1179 VanDerWaalsContact C-N 3.31Å; L1177-H1179 PolarHBondContact O-N 3.14Å
1180L92.6Very high79.2Confident1 Ų141.8 Ų41.81%0.00522%0.22CC..Hα-helixtrans-73-27.9-178.6-71.4173000114.3V1133 A1134 I1137 L1144 L1147 I1176 L1177 L1209 Q1213V1133-L1180 HydrophobicContact CG1-CD1 4.24Å; A1134-L1180 HydrophobicContact CB-CD2 3.7Å; I1137-L1180 HydrophobicContact CD1-CD1 3.89Å; I1137-L1180 HydrophobicContact CD1-CD2 3.8Å; L1144-L1180 HydrophobicContact CD1-CB 4.26Å; L1144-L1180 HydrophobicContact CD1-CD1 3.87Å; L1147-L1180 HydrophobicContact CD2-CD1 3.61Å; I1176-L1180 HydrophobicContact CG2-CD1 3.57Å; I1176-L1180 HydrophobicContact CG2-CG 4.26Å; I1176-L1180 WeakPolarHBondContact O-CB 3.37Å; I1176-L1180 VanDerWaalsContact O-CG 3.26Å; I1176-L1180 WeakPolarHBondContact O-CG 3.23Å; I1176-L1180 PolarHBondContact O-N 2.83Å; L1177-L1180 PolarHBondContact O-N 3.27Å; L1180-L1209 HydrophobicContact CD2-CD1 4.11Å; L1180-Q1213 PolarHBondContact O-NE2 2.9Å
1181F92.4Very high76.5Confident0 Ų045.1 Ų45.10%024%0.243CC..Hα-helixtrans-93.9-24.2179.6-83-106.5000113.6I1148 L1177 T1183 I1216 V1221 V1224 I1287 W1292 V1293I1148-F1181 HydrophobicContact CD1-CE2 4.1Å; I1148-F1181 HydrophobicContact CD1-CZ 4.06Å; L1177-F1181 HydrophobicContact CD2-CD2 4.35Å; L1177-F1181 HydrophobicContact CD2-CE2 3.92Å; L1177-F1181 WeakPolarHBondContact O-CB 3.24Å; L1177-F1181 WeakPolarHBondContact O-CD2 3.35Å; L1177-F1181 PolarHBondContact O-N 2.78Å; F1181-T1183 PolarHBondContact O-N 3.45Å; F1181-I1216 HydrophobicContact CZ-CD1 4.04Å; F1181-V1221 HydrophobicContact CE1-CG1 4.25Å; F1181-V1221 HydrophobicContact CE1-CG2 4.24Å; F1181-V1224 HydrophobicContact CE2-CG1 4.27Å; F1181-V1224 HydrophobicContact CE2-CG2 4.24Å; F1181-V1224 HydrophobicContact CZ-CB 4.22Å; F1181-V1224 HydrophobicContact CZ-CG1 4.18Å; F1181-V1224 HydrophobicContact CZ-CG2 4.03Å; F1181-I1287 HydrophobicContact CB-CD1 4.32Å; F1181-I1287 HydrophobicContact CB-CG1 3.98Å; F1181-I1287 HydrophobicContact CB-CG2 4.15Å; F1181-I1287 HydrophobicContact CD1-CG2 3.83Å; F1181-I1287 HydrophobicContact CG-CD1 4.44Å; F1181-I1287 HydrophobicContact CG-CG2 4.17Å; F1181-W1292 HydrophobicContact CB-CZ2 4.35Å; F1181-W1292 AromaticContact CD1-CH2 3.68Å; F1181-W1292 HydrophobicContact CD1-CH2 3.68Å; F1181-W1292 AromaticContact CD1-CZ2 3.69Å; F1181-W1292 HydrophobicContact CD1-CZ2 3.69Å; F1181-W1292 AromaticContact CE1-CH2 3.84Å; F1181-W1292 HydrophobicContact CE1-CH2 3.84Å; F1181-W1292 HydrophobicContact CE1-CZ2 4.33Å; F1181-W1292 HydrophobicContact CG-CZ2 4.25Å; F1181-W1292 PolarHBondContact O-NE1 3.3Å; F1181-V1293 HydrophobicContact CD1-CG2 3.99Å
1182K89.2Confident73.5Confident118 Ų11853.2 Ų53.251%0.51329%0.288SS..SBendtrans-63134.2177.5-175.6176.2-178.9-177.20110.8L1178 P1184 Q1213L1178-K1182 WeakPolarHBondContact O-CB 3.07Å; L1178-K1182 PolarHBondContact O-N 2.63Å; K1182-P1184 WeakPolarHBondContact O-CD 3.31Å; K1182-Q1213 PolarHBondContact O-NE2 2.77Å
1183T78.6Confident70.6Confident69 Ų6955 Ų5542%0.42331%0.307SS..PPolyproline II helixtrans-59.6125.1175.2-54.80000109.9F1181 Q1185 Q1290F1181-T1183 PolarHBondContact O-N 3.45Å; T1183-Q1185 PolarHBondContact O-N 3.12Å; T1183-Q1290 PolarHBondContact OG1-OE1 3.34Å
1184P73.1Confident67.5Low27 Ų2763.4 Ų63.418%0.17535%0.352CS..PPolyproline II helixtrans-62.1119.8179.2-26.637.6000111.8K1182 R1206 L1209 A1210K1182-P1184 WeakPolarHBondContact O-CD 3.31Å; P1184-R1206 HydrophobicContact CB-CB 3.77Å; P1184-R1206 HydrophobicContact CB-CG 4.11Å; P1184-L1209 HydrophobicContact CG-CB 4.42Å; P1184-L1209 HydrophobicContact CG-CD2 4.11Å; P1184-L1209 HydrophobicContact CG-CG 4.38Å; P1184-A1210 HydrophobicContact CG-CB 4.16Å
1185Q67Low65Low132 Ų13271.5 Ų71.562%0.61739%0.387SS*.PPolyproline II helixtrans-69.2134.3178.6-78.2-71.3300111T1183 N1187 R1206T1183-Q1185 PolarHBondContact O-N 3.12Å; Q1185-N1187 VanDerWaalsContact C-N 3.27Å; Q1185-N1187 PolarHBondContact O-N 3.03Å; Q1185-R1206 WeakPolarHBondContact O-CD 3.39Å; Q1185-R1206 PolarHBondContact O-NE 3.18Å; Q1185-R1206 VanDerWaalsContact O-NE 3.13Å
1186L57.9Low62.9Low45 Ų4575.9 Ų75.924%0.23642%0.419CS..SBendtrans-67.8-29-179.6-67176.8000113E882 R1206E882-L1186 HydrophobicContact CG-CD1 3.81Å; E882-L1186 HydrophobicContact CG-CD2 4.26Å; E882-L1186 WeakPolarHBondContact OE1-CD2 3.45Å; E882-L1186 WeakPolarHBondContact OE2-CD2 3.48Å; L1186-R1206 PolarHBondContact O-NH2 3.03Å
1187N53.6Low61Low32 Ų3280.5 Ų80.517%0.17145%0.448CS..  trans-120.7105.1-169.9-166.319.6000110.5Q835 Q1185 C1189 Q1190Q835-N1187 PolarHBondContact NE2-ND2 3.11Å; Q835-N1187 VanDerWaalsContact NE2-ND2 3.1Å; Q1185-N1187 VanDerWaalsContact C-N 3.27Å; Q1185-N1187 PolarHBondContact O-N 3.03Å; N1187-C1189 PolarHBondContact O-N 3.45Å; N1187-C1189 VanDerWaalsContact O-N 3.12Å; N1187-Q1190 PolarHBondContact ND2-NE2 3.14Å
1188P44.7Very low59.4Low98 Ų9881.2 Ų81.264%0.63645%0.452SS*.THydrogen-bonded Turntrans-63-17.8-177.7-24.935000115.1
1189C38.9Very low58.8Low100 Ų10081.4 Ų81.468%0.67646%0.459SS*.THydrogen-bonded Turntrans-10316.4-163.8-1400000115N1187N1187-C1189 PolarHBondContact O-N 3.45Å; N1187-C1189 VanDerWaalsContact O-N 3.12Å
1190Q41.2Very low58.6Low137 Ų13780.5 Ų80.564%0.6446%0.455SS*.  trans-108.884.4171.9-75.9-176.211.600111.3N1187N1187-Q1190 PolarHBondContact ND2-NE2 3.14Å
1191S35Very low58.1Low70 Ų7087.5 Ų87.549%0.4948%0.481SS..  trans-133.7115.7165.5170.70000108.2G1193S1191-G1193 PolarHBondContact O-N 3.29Å; S1191-G1193 PolarHBondContact OG-N 3.48Å; S1191-G1193 PolarHBondContact OG-O 3.02Å; S1191-G1193 VanDerWaalsContact OG-O 3.13Å
1192D31.5Very low57.7Low194 Ų19488.6 Ų88.6100%1.03749%0.489SS*.SBendtrans-71.523.7170.4-82.5-39.7000112.7
1193G32.6Very low57.6Low39 Ų3983.1 Ų83.140%0.40247%0.465SS..SBendtrans-132.2127.7-176.900000111.1S1191 K1195S1191-G1193 PolarHBondContact O-N 3.29Å; S1191-G1193 PolarHBondContact OG-N 3.48Å; S1191-G1193 PolarHBondContact OG-O 3.02Å; S1191-G1193 VanDerWaalsContact OG-O 3.13Å; G1193-K1195 PolarHBondContact O-N 3.41Å
1194N30.3Very low58.1Low177 Ų17780 Ų8095%0.94745%0.446SS*.SBendtrans-77.647.3-165.8-154.232.8000114.6
1195K41.6Very low59.1Low171 Ų17178.7 Ų78.774%0.74344%0.438SS*.SBendtrans-141.4129.3170.8-75.3-168.4174.9-170.90109.6G1193 T1197G1193-K1195 PolarHBondContact O-N 3.41Å; K1195-T1197 PolarHBondContact O-N 3.05Å
1196P47.7Very low60.2Low120 Ų12073.3 Ų73.378%0.77941%0.412SS*.  trans-68.7115.7165.829.1-31.7000108.9
1197T55.4Low61.8Low104 Ų10471.5 Ų71.564%0.63840%0.402SS*.  trans-75.7131.3172.149.50000109.7K1195 G1199K1195-T1197 PolarHBondContact O-N 3.05Å; T1197-G1199 PolarHBondContact O-N 2.94Å
1198V62.5Low63.7Low18 Ų1870 Ų7011%0.10939%0.394CS..  trans-63.8133.7176.2-175.30000109.6P1069 V1072 D1127 T1131P1069-V1198 HydrophobicContact CB-CB 4.32Å; P1069-V1198 HydrophobicContact CB-CG1 3.97Å; P1069-V1198 HydrophobicContact CB-CG2 4.18Å; V1072-V1198 HydrophobicContact CG1-CG1 4.43Å; D1127-V1198 HydrophobicContact CB-CB 4.17Å; T1131-V1198 HydrophobicContact CG2-CG1 4.35Å; T1131-V1198 PolarHBondContact OG1-O 2.67Å
1199G77.9Confident66Low22 Ų2265.5 Ų65.523%0.22737%0.365CS..  trans-173.3176.4-173.400000112.6N1073 T1131 T1197 R1201N1073-G1199 PolarHBondContact ND2-O 3.05Å; T1131-G1199 VanDerWaalsContact CG2-C 3.5Å; T1131-G1199 WeakPolarHBondContact OG1-CA 3.25Å; T1131-G1199 PolarHBondContact OG1-N 2.83Å; T1197-G1199 PolarHBondContact O-N 2.94Å; G1199-R1201 PolarHBondContact O-N 2.87Å
1200I86Confident68.5Low16 Ų1661 Ų618%0.08234%0.335CS..  trans-75.2108.6-172.1-57.1170.4000110.8T1131 A1134 I1135 S1202 D1205 R1206 L1209T1131-I1200 HydrophobicContact CG2-CG1 4.24Å; A1134-I1200 HydrophobicContact CB-CD1 3.9Å; I1135-I1200 HydrophobicContact CD1-CG1 4.48Å; I1135-I1200 HydrophobicContact CG1-CD1 4.44Å; I1135-I1200 HydrophobicContact CG1-CG1 3.96Å; I1135-I1200 HydrophobicContact CG1-CG2 4.34Å; I1200-S1202 WeakPolarHBondContact CG2-O 3.45Å; I1200-D1205 HydrophobicContact CG2-CB 3.44Å; I1200-D1205 VanDerWaalsContact CG2-CB 3.44Å; I1200-R1206 HydrophobicContact CB-CG 3.94Å; I1200-R1206 HydrophobicContact CG2-CG 3.84Å; I1200-R1206 PolarHBondContact O-NH1 2.69Å; I1200-L1209 HydrophobicContact CD1-CB 4.44Å; I1200-L1209 HydrophobicContact CD1-CD2 3.63Å
1201R82Confident70.7Confident148 Ų14854.5 Ų54.556%0.55831%0.305SS*.  trans-76.5-39.3-176-167.8-176.5-169.1178.919.2113D1070 N1073 G1199 R1206D1070-R1201 WeakPolarHBondContact OD1-CD 3.32Å; D1070-R1201 IonicContact OD1-CZ 3.49Å; D1070-R1201 IonicContact OD1-NE 3.59Å; D1070-R1201 PolarHBondContact OD1-NE 2.79Å; D1070-R1201 IonicContact OD1-NH1 2.73Å; D1070-R1201 PolarHBondContact OD1-NH1 3.04Å; D1070-R1201 IonicContact OD1-NH2 2.79Å; D1070-R1201 IonicContact OD2-CZ 2.61Å; D1070-R1201 VanDerWaalsContact OD2-CZ 3.25Å; D1070-R1201 IonicContact OD2-NH1 3.43Å; D1070-R1201 PolarHBondContact OD2-NH1 3.32Å; D1070-R1201 IonicContact OD2-NH2 2.76Å; D1070-R1201 PolarHBondContact OD2-NH2 3.26Å; N1073-R1201 PolarHBondContact OD1-N 2.87Å; G1199-R1201 PolarHBondContact O-N 2.87Å; R1201-R1206 VanDerWaalsContact C-NH1 3.29Å; R1201-R1206 PolarHBondContact O-NH1 3.34Å
1202S85.2Confident73.4Confident24 Ų2451.7 Ų51.717%0.16829%0.285CS..  trans-68.4125.8175.4164.30000111.2I1200 D1205 R1206I1200-S1202 WeakPolarHBondContact CG2-O 3.45Å; S1202-D1205 WeakPolarHBondContact CB-OD2 3.37Å; S1202-D1205 PolarHBondContact O-N 3.19Å; S1202-D1205 PolarHBondContact OG-N 3.31Å; S1202-D1205 VanDerWaalsContact OG-N 3.16Å; S1202-D1205 PolarHBondContact OG-OD2 3.49Å; S1202-R1206 PolarHBondContact O-N 2.79Å; S1202-R1206 VanDerWaalsContact O-N 3.16Å; S1202-R1206 PolarHBondContact O-NH1 3.21Å
1203S86Confident76.1Confident2 Ų242.6 Ų42.61%0.01424%0.236CC..Hα-helixtrans-72.2-34.8176.466.90000111.9Q875 D879 D1205 R1206 H1207Q875-S1203 VanDerWaalsContact CD-OG 3.29Å; Q875-S1203 WeakPolarHBondContact CG-OG 3.48Å; Q875-S1203 VanDerWaalsContact NE2-N 3.16Å; Q875-S1203 PolarHBondContact NE2-OG 3.17Å; Q875-S1203 VanDerWaalsContact NE2-OG 3.09Å; D879-S1203 WeakPolarHBondContact OD1-CB 3.46Å; D879-S1203 PolarHBondContact OD1-OG 3.21Å; D879-S1203 WeakPolarHBondContact OD2-CB 3.45Å; D879-S1203 PolarHBondContact OD2-OG 3.31Å; S1203-D1205 PolarHBondContact O-N 2.75Å; S1203-R1206 CarbonylContact O-C 3.59Å; S1203-R1206 WeakPolarHBondContact O-CA 3.27Å; S1203-R1206 WeakPolarHBondContact O-CB 3.48Å; S1203-R1206 PolarHBondContact O-N 2.68Å; S1203-H1207 VanDerWaalsContact O-CG 3.32Å; S1203-H1207 PolarHBondContact O-N 3.49Å; S1203-H1207 PolarHBondContact O-ND1 3.08Å; S1203-H1207 VanDerWaalsContact O-ND1 3.17Å
1204C91.1Very high78.4Confident3 Ų343 Ų432%0.0223%0.229CC..Hα-helixtrans-49.8-45.2168.5173.30000111.6A929 H1207 L1208A929-C1204 HydrophobicContact CB-CB 4.22Å; A929-C1204 WeakPolarHBondContact CB-O 3.23Å; A929-C1204 VanDerWaalsContact CB-SG 3.57Å; C1204-H1207 PolarHBondContact O-N 2.68Å; C1204-L1208 WeakPolarHBondContact O-CB 3.36Å; C1204-L1208 VanDerWaalsContact O-CG 3.28Å; C1204-L1208 WeakPolarHBondContact O-CG 3.47Å; C1204-L1208 PolarHBondContact O-N 3.28Å
1205D92.3Very high80.9Confident1 Ų137.2 Ų37.21%0.00519%0.194CC..Hα-helixtrans-73.6-31.2177.8-70-80.5000113R1139 I1200 S1202 S1203 L1209R1139-D1205 IonicContact CZ-OD1 2.69Å; R1139-D1205 IonicContact CZ-OD2 3.17Å; R1139-D1205 IonicContact NE-OD1 3.81Å; R1139-D1205 PolarHBondContact NE-OD1 3.33Å; R1139-D1205 IonicContact NE-OD2 3.25Å; R1139-D1205 IonicContact NH2-OD1 3.37Å; R1139-D1205 PolarHBondContact NH2-OD1 2.58Å; R1139-D1205 IonicContact NH2-OD2 3.24Å; R1139-D1205 PolarHBondContact NH2-OD2 2.77Å; I1200-D1205 HydrophobicContact CG2-CB 3.44Å; I1200-D1205 VanDerWaalsContact CG2-CB 3.44Å; S1202-D1205 WeakPolarHBondContact CB-OD2 3.37Å; S1202-D1205 PolarHBondContact O-N 3.19Å; S1202-D1205 PolarHBondContact OG-N 3.31Å; S1202-D1205 VanDerWaalsContact OG-N 3.16Å; S1202-D1205 PolarHBondContact OG-OD2 3.49Å; S1203-D1205 PolarHBondContact O-N 2.75Å; D1205-L1209 WeakPolarHBondContact O-CB 3.27Å; D1205-L1209 PolarHBondContact O-N 3.25Å
1206R91.8Very high83.1Confident19 Ų1929.1 Ų29.17%0.07216%0.159CC..Hα-helixtrans-63.6-45.3169.8-68-165.7-64.2-81.66.5111.6P1184 Q1185 L1186 I1200 R1201 S1202 S1203 L1209 A1210P1184-R1206 HydrophobicContact CB-CB 3.77Å; P1184-R1206 HydrophobicContact CB-CG 4.11Å; Q1185-R1206 WeakPolarHBondContact O-CD 3.39Å; Q1185-R1206 PolarHBondContact O-NE 3.18Å; Q1185-R1206 VanDerWaalsContact O-NE 3.13Å; L1186-R1206 PolarHBondContact O-NH2 3.03Å; I1200-R1206 HydrophobicContact CB-CG 3.94Å; I1200-R1206 HydrophobicContact CG2-CG 3.84Å; I1200-R1206 PolarHBondContact O-NH1 2.69Å; R1201-R1206 VanDerWaalsContact C-NH1 3.29Å; R1201-R1206 PolarHBondContact O-NH1 3.34Å; S1202-R1206 PolarHBondContact O-N 2.79Å; S1202-R1206 VanDerWaalsContact O-N 3.16Å; S1202-R1206 PolarHBondContact O-NH1 3.21Å; S1203-R1206 CarbonylContact O-C 3.59Å; S1203-R1206 WeakPolarHBondContact O-CA 3.27Å; S1203-R1206 WeakPolarHBondContact O-CB 3.48Å; S1203-R1206 PolarHBondContact O-N 2.68Å; R1206-L1209 PolarHBondContact O-N 3.01Å; R1206-A1210 WeakPolarHBondContact O-CB 3.33Å; R1206-A1210 PolarHBondContact O-N 3.47Å
1207H91.7Very high85Confident6 Ų627.6 Ų27.63%0.02815%0.147CC..Hα-helixtrans-64.2-42.8176.1-64.1138.6000111.9E882 A929 H933 S1203 C1204 A1210 A1211E882-H1207 IonicContact OE2-CD2 2.72Å; E882-H1207 IonicContact OE2-CE1 3.21Å; E882-H1207 IonicContact OE2-NE2 2.63Å; E882-H1207 PolarHBondContact OE2-NE2 3.12Å; A929-H1207 HydrophobicContact CB-CB 3.94Å; H933-H1207 HydrophobicContact CB-CB 4.07Å; H933-H1207 AromaticContact CD2-CD2 3.85Å; S1203-H1207 VanDerWaalsContact O-CG 3.32Å; S1203-H1207 PolarHBondContact O-N 3.49Å; S1203-H1207 PolarHBondContact O-ND1 3.08Å; S1203-H1207 VanDerWaalsContact O-ND1 3.17Å; C1204-H1207 PolarHBondContact O-N 2.68Å; H1207-A1210 PolarHBondContact O-N 3.21Å; H1207-A1211 VanDerWaalsContact O-CB 3.26Å; H1207-A1211 WeakPolarHBondContact O-CB 3.32Å; H1207-A1211 PolarHBondContact O-N 2.88Å
1208L93.2Very high86.4Confident1 Ų124.8 Ų24.81%0.00513%0.128CC..Hα-helixtrans-64.9-38176.5-75.9170.4000112.4L925 A929 C971 A1138 C1204 S1212L925-L1208 HydrophobicContact CD1-CD1 3.92Å; L925-L1208 HydrophobicContact CG-CD1 4.39Å; A929-L1208 HydrophobicContact CB-CD1 4.34Å; A929-L1208 HydrophobicContact CB-CD2 4.13Å; A929-L1208 HydrophobicContact CB-CG 3.73Å; C971-L1208 HydrophobicContact CB-CD2 4.38Å; A1138-L1208 HydrophobicContact CB-CB 3.82Å; C1204-L1208 WeakPolarHBondContact O-CB 3.36Å; C1204-L1208 VanDerWaalsContact O-CG 3.28Å; C1204-L1208 WeakPolarHBondContact O-CG 3.47Å; C1204-L1208 PolarHBondContact O-N 3.28Å; L1208-S1212 PolarHBondContact O-N 3.43Å; L1208-S1212 PolarHBondContact O-OG 2.89Å
1209L93Very high87.5Confident3 Ų325.6 Ų25.62%0.01614%0.141CC..Hα-helixtrans-64.8-48.6172.6-178.463.3000111.4A1134 I1137 A1138 L1180 P1184 I1200 D1205 R1206 A1211 S1212 Q1213A1134-L1209 HydrophobicContact CB-CD2 4.09Å; I1137-L1209 HydrophobicContact CG2-CD1 4.19Å; A1138-L1209 HydrophobicContact CB-CB 4.21Å; L1180-L1209 HydrophobicContact CD2-CD1 4.11Å; P1184-L1209 HydrophobicContact CG-CB 4.42Å; P1184-L1209 HydrophobicContact CG-CD2 4.11Å; P1184-L1209 HydrophobicContact CG-CG 4.38Å; I1200-L1209 HydrophobicContact CD1-CB 4.44Å; I1200-L1209 HydrophobicContact CD1-CD2 3.63Å; D1205-L1209 WeakPolarHBondContact O-CB 3.27Å; D1205-L1209 PolarHBondContact O-N 3.25Å; R1206-L1209 PolarHBondContact O-N 3.01Å; L1209-A1211 VanDerWaalsContact C-N 3.29Å; L1209-A1211 PolarHBondContact O-N 2.88Å; L1209-S1212 CarbonylContact O-C 3.53Å; L1209-S1212 WeakPolarHBondContact O-CA 3.31Å; L1209-S1212 PolarHBondContact O-N 3.31Å; L1209-Q1213 WeakPolarHBondContact O-CG 3.48Å; L1209-Q1213 PolarHBondContact O-N 2.67Å
1210A90.1Very high88.1Confident6 Ų625.1 Ų25.15%0.0513%0.134CC..Hα-helixtrans-61.7-36.8177.600000112.3H933 P1184 R1206 H1207 S1212 Q1213 N1214H933-A1210 WeakPolarHBondContact ND1-CB 3.37Å; P1184-A1210 HydrophobicContact CG-CB 4.16Å; R1206-A1210 WeakPolarHBondContact O-CB 3.33Å; R1206-A1210 PolarHBondContact O-N 3.47Å; H1207-A1210 PolarHBondContact O-N 3.21Å; A1210-S1212 VanDerWaalsContact C-N 3.33Å; A1210-S1212 PolarHBondContact O-N 3.48Å; A1210-Q1213 WeakPolarHBondContact O-CB 3.4Å; A1210-Q1213 PolarHBondContact O-N 3.05Å; A1210-N1214 PolarHBondContact O-N 3.47Å
1211A88.8Confident88.3Confident1 Ų124.4 Ų24.41%0.00813%0.131CC..Hα-helixtrans-62-38.2170.500000112.9R932 H1207 L1209 N1214 R1215R932-A1211 HydrophobicContact CB-CB 4.03Å; R932-A1211 HydrophobicContact CG-CB 3.6Å; H1207-A1211 VanDerWaalsContact O-CB 3.26Å; H1207-A1211 WeakPolarHBondContact O-CB 3.32Å; H1207-A1211 PolarHBondContact O-N 2.88Å; L1209-A1211 VanDerWaalsContact C-N 3.29Å; L1209-A1211 PolarHBondContact O-N 2.88Å; A1211-N1214 PolarHBondContact O-N 3.46Å; A1211-R1215 WeakPolarHBondContact O-CG 3.24Å; A1211-R1215 PolarHBondContact O-N 3.29Å
1212S89.7Confident88.7Confident11 Ų1117.4 Ų17.48%0.07710%0.104CC..Hα-helixtrans-74.9-31.3175.8-68.70000112.7R932 L1208 L1209 A1210 N1214 R1215 I1216R932-S1212 PolarHBondContact NH1-OG 3.47Å; L1208-S1212 PolarHBondContact O-N 3.43Å; L1208-S1212 PolarHBondContact O-OG 2.89Å; L1209-S1212 CarbonylContact O-C 3.53Å; L1209-S1212 WeakPolarHBondContact O-CA 3.31Å; L1209-S1212 PolarHBondContact O-N 3.31Å; A1210-S1212 VanDerWaalsContact C-N 3.33Å; A1210-S1212 PolarHBondContact O-N 3.48Å; S1212-N1214 VanDerWaalsContact C-N 3.33Å; S1212-R1215 PolarHBondContact O-N 3.38Å; S1212-I1216 PolarHBondContact O-N 2.99Å
1213Q89.1Confident89Confident3 Ų316.7 Ų16.71%0.01410%0.1CC..Hα-helixtrans-59.4-42.3167.4-70.1169.9-14.100111.2L1180 K1182 L1209 A1210 R1215 I1216 W1292L1180-Q1213 PolarHBondContact O-NE2 2.9Å; K1182-Q1213 PolarHBondContact O-NE2 2.77Å; L1209-Q1213 WeakPolarHBondContact O-CG 3.48Å; L1209-Q1213 PolarHBondContact O-N 2.67Å; A1210-Q1213 WeakPolarHBondContact O-CB 3.4Å; A1210-Q1213 PolarHBondContact O-N 3.05Å; Q1213-R1215 VanDerWaalsContact C-N 3.26Å; Q1213-R1215 PolarHBondContact O-N 3.1Å; Q1213-I1216 VanDerWaalsContact O-CG2 3.23Å; Q1213-I1216 WeakPolarHBondContact O-CG2 3.36Å; Q1213-W1292 HydrophobicContact CB-CH2 4.15Å; Q1213-W1292 HydrophobicContact CB-CZ2 3.88Å; Q1213-W1292 HydrophobicContact CG-CH2 4.5Å; Q1213-W1292 HydrophobicContact CG-CZ2 3.95Å
1214N81Confident89.3Confident48 Ų4816.7 Ų16.726%0.25710%0.1SC..Hα-helixtrans-67-23.7176.3-68.6-14.5000113.4A1210 A1211 S1212 R1296A1210-N1214 PolarHBondContact O-N 3.47Å; A1211-N1214 PolarHBondContact O-N 3.46Å; S1212-N1214 VanDerWaalsContact C-N 3.33Å; N1214-R1296 PolarHBondContact O-NH1 3.31Å
1215R83Confident89.3Confident54 Ų5416.6 Ų16.620%0.20410%0.099CC..Hα-helixtrans-94-10.7-177.6-69.4-57.2-164.6-142.4-3.4116.2E470 H935 D978 A1211 S1212 Q1213E470-R1215 IonicContact OE2-CZ 2.71Å; E470-R1215 IonicContact OE2-NH1 3.46Å; E470-R1215 PolarHBondContact OE2-NH1 3.42Å; H935-R1215 PolarHBondContact CD2-NH2 2.65Å; H935-R1215 PolarHBondContact CE1-NH2 3.25Å; H935-R1215 PolarHBondContact ND1-NH2 2.93Å; H935-R1215 PolarHBondContact NE2-NH2 2.92Å; D978-R1215 IonicContact OD2-NE 3.71Å; D978-R1215 PolarHBondContact OD2-NE 2.9Å; D978-R1215 IonicContact OD2-NH2 3.67Å; A1211-R1215 WeakPolarHBondContact O-CG 3.24Å; A1211-R1215 PolarHBondContact O-N 3.29Å; S1212-R1215 PolarHBondContact O-N 3.38Å; Q1213-R1215 VanDerWaalsContact C-N 3.26Å; Q1213-R1215 PolarHBondContact O-N 3.1Å
1216I88.5Confident89.2Confident2 Ų217.4 Ų17.41%0.0110%0.103CC..SBendtrans-57.2135.8179.3-164.6-180000111.9L1144 E1145 I1148 F1181 S1212 Q1213 D1218 A1220 V1221 W1292 R1296L1144-I1216 HydrophobicContact CD2-CB 4.36Å; L1144-I1216 HydrophobicContact CD2-CD1 3.87Å; L1144-I1216 HydrophobicContact CD2-CG1 4.36Å; L1144-I1216 HydrophobicContact CG-CD1 4.03Å; E1145-I1216 HydrophobicContact CG-CG1 3.96Å; E1145-I1216 WeakPolarHBondContact OE1-CA 3.32Å; I1148-I1216 HydrophobicContact CD1-CD1 3.61Å; F1181-I1216 HydrophobicContact CZ-CD1 4.04Å; S1212-I1216 PolarHBondContact O-N 2.99Å; Q1213-I1216 VanDerWaalsContact O-CG2 3.23Å; Q1213-I1216 WeakPolarHBondContact O-CG2 3.36Å; I1216-D1218 PolarHBondContact O-N 3.23Å; I1216-A1220 HydrophobicContact CD1-CB 4.05Å; I1216-A1220 HydrophobicContact CG1-CB 4.06Å; I1216-V1221 HydrophobicContact CD1-CG2 3.95Å; I1216-V1221 HydrophobicContact CG1-CG2 4.45Å; I1216-V1221 HydrophobicContact CG2-CG2 3.64Å; I1216-W1292 HydrophobicContact CG2-CH2 4.25Å; I1216-W1292 HydrophobicContact CG2-CZ3 3.97Å; I1216-R1296 PolarHBondContact O-NE 3.47Å; I1216-R1296 PolarHBondContact O-NH1 3.28Å; I1216-R1296 PolarHBondContact O-NH2 3.04Å
1217V87Confident89.2Confident87 Ų8716.7 Ų16.753%0.52710%0.1SC..  trans-65.8132.1172.1173.40000110.9E1145 G1219 A1220E1145-V1217 WeakPolarHBondContact OE1-CG2 3.22Å; E1145-V1217 PolarHBondContact OE1-N 3.29Å; V1217-G1219 PolarHBondContact O-N 3.32Å; V1217-G1219 VanDerWaalsContact O-N 3.12Å; V1217-A1220 WeakPolarHBondContact O-CB 3.35Å; V1217-A1220 PolarHBondContact O-N 3.46Å
1218D85.4Confident89.2Confident45 Ų4516.4 Ų16.424%0.24110%0.099CC..Hα-helixtrans-51.6-40.2-174.3-54.68.1000112.8I1216 A1220 V1221 F1222 R1296 S1300I1216-D1218 PolarHBondContact O-N 3.23Å; D1218-A1220 VanDerWaalsContact C-N 3.27Å; D1218-A1220 PolarHBondContact O-N 2.93Å; D1218-V1221 WeakPolarHBondContact O-CB 3.35Å; D1218-V1221 PolarHBondContact O-N 2.78Å; D1218-F1222 VanDerWaalsContact O-CD2 3.3Å; D1218-F1222 WeakPolarHBondContact O-CD2 3.35Å; D1218-F1222 PolarHBondContact O-N 2.96Å; D1218-R1296 IonicContact OD1-CZ 3.43Å; D1218-R1296 VanDerWaalsContact OD1-CZ 3.23Å; D1218-R1296 IonicContact OD1-NE 2.73Å; D1218-R1296 PolarHBondContact OD1-NE 2.9Å; D1218-R1296 IonicContact OD1-NH2 3.55Å; D1218-R1296 PolarHBondContact OD1-NH2 2.58Å; D1218-S1300 WeakPolarHBondContact OD2-CB 3.41Å
1219G85.7Confident89Confident36 Ų3616.9 Ų16.937%0.37110%0.101SC..Hα-helixtrans-59.1-31.7176.500000114.4V1217 F1222 A1223V1217-G1219 PolarHBondContact O-N 3.32Å; V1217-G1219 VanDerWaalsContact O-N 3.12Å; G1219-F1222 PolarHBondContact O-N 3.5Å; G1219-A1223 WeakPolarHBondContact O-CB 3.34Å; G1219-A1223 PolarHBondContact O-N 3.06Å
1220A89.5Confident88.8Confident11 Ų1118.1 Ų18.19%0.09111%0.109CC..Hα-helixtrans-72.6-34.2175.400000111.9E1145 I1148 I1216 V1217 D1218 A1223 V1224E1145-A1220 HydrophobicContact CG-CB 4.26Å; I1148-A1220 HydrophobicContact CD1-CB 4.48Å; I1148-A1220 HydrophobicContact CG2-CB 4.4Å; I1216-A1220 HydrophobicContact CD1-CB 4.05Å; I1216-A1220 HydrophobicContact CG1-CB 4.06Å; V1217-A1220 WeakPolarHBondContact O-CB 3.35Å; V1217-A1220 PolarHBondContact O-N 3.46Å; D1218-A1220 VanDerWaalsContact C-N 3.27Å; D1218-A1220 PolarHBondContact O-N 2.93Å; A1220-A1223 PolarHBondContact O-N 3.43Å; A1220-V1224 WeakPolarHBondContact O-CG2 3.42Å; A1220-V1224 PolarHBondContact O-N 3.41Å
1221V91.3Very high88.7Confident1 Ų117.9 Ų17.91%0.00611%0.107CC..Hα-helixtrans-61.8-48.3170.2-178.80000109.8F1181 I1216 D1218 A1223 V1224 L1225 W1292 V1293F1181-V1221 HydrophobicContact CE1-CG1 4.25Å; F1181-V1221 HydrophobicContact CE1-CG2 4.24Å; I1216-V1221 HydrophobicContact CD1-CG2 3.95Å; I1216-V1221 HydrophobicContact CG1-CG2 4.45Å; I1216-V1221 HydrophobicContact CG2-CG2 3.64Å; D1218-V1221 WeakPolarHBondContact O-CB 3.35Å; D1218-V1221 PolarHBondContact O-N 2.78Å; V1221-A1223 VanDerWaalsContact C-N 3.32Å; V1221-A1223 PolarHBondContact O-N 3.2Å; V1221-V1224 PolarHBondContact O-N 2.92Å; V1221-L1225 HydrophobicContact CG1-CD1 4Å; V1221-L1225 HydrophobicContact CG1-CG 4.39Å; V1221-L1225 WeakPolarHBondContact O-CB 3.37Å; V1221-L1225 VanDerWaalsContact O-CG 3.32Å; V1221-L1225 WeakPolarHBondContact O-CG 3.32Å; V1221-L1225 PolarHBondContact O-N 3.13Å; V1221-W1292 HydrophobicContact CG2-CZ3 4.37Å; V1221-V1293 HydrophobicContact CG1-CG1 3.97Å
1222F90Very high88.6Confident1 Ų118 Ų180%0.00411%0.108CC..Hα-helixtrans-62.1-37.5175.8-78.6-70.8000113.2D1218 G1219 L1225 K1226 C1297 S1300 L1301 D1307 L1308 I1325D1218-F1222 VanDerWaalsContact O-CD2 3.3Å; D1218-F1222 WeakPolarHBondContact O-CD2 3.35Å; D1218-F1222 PolarHBondContact O-N 2.96Å; G1219-F1222 PolarHBondContact O-N 3.5Å; F1222-L1225 PolarHBondContact O-N 3.15Å; F1222-K1226 WeakPolarHBondContact O-CB 3.25Å; F1222-K1226 WeakPolarHBondContact O-CD 3.48Å; F1222-K1226 WeakPolarHBondContact O-CG 3.39Å; F1222-K1226 PolarHBondContact O-N 3.44Å; F1222-C1297 HydrophobicContact CE1-CB 4.15Å; F1222-C1297 HydrophobicContact CE2-CB 4.31Å; F1222-C1297 HydrophobicContact CZ-CB 3.55Å; F1222-S1300 WeakPolarHBondContact CE2-OG 3.45Å; F1222-L1301 HydrophobicContact CE1-CD1 3.78Å; F1222-L1301 HydrophobicContact CE1-CD2 4.14Å; F1222-L1301 HydrophobicContact CE1-CG 4.07Å; F1222-L1301 HydrophobicContact CE2-CG 4.39Å; F1222-L1301 HydrophobicContact CZ-CD1 3.62Å; F1222-L1301 HydrophobicContact CZ-CD2 3.95Å; F1222-L1301 HydrophobicContact CZ-CG 3.56Å; F1222-D1307 HydrophobicContact CD1-CB 4.41Å; F1222-D1307 HydrophobicContact CD2-CB 3.92Å; F1222-D1307 HydrophobicContact CE2-CB 4.26Å; F1222-D1307 HydrophobicContact CG-CB 4.03Å; F1222-L1308 HydrophobicContact CD1-CD2 4.25Å; F1222-L1308 HydrophobicContact CD1-CG 4.36Å; F1222-L1308 HydrophobicContact CE1-CD2 4.35Å; F1222-L1308 HydrophobicContact CE1-CG 4.15Å; F1222-I1325 HydrophobicContact CE1-CD1 4.13Å
1223A90.2Very high88.2Confident10 Ų1019.9 Ų19.98%0.08312%0.117CC..Hα-helixtrans-66-40.9177.500000112.4I1153 G1219 A1220 V1221 A1227I1153-A1223 HydrophobicContact CD1-CB 3.54Å; I1153-A1223 HydrophobicContact CG1-CB 4.44Å; G1219-A1223 WeakPolarHBondContact O-CB 3.34Å; G1219-A1223 PolarHBondContact O-N 3.06Å; A1220-A1223 PolarHBondContact O-N 3.43Å; V1221-A1223 VanDerWaalsContact C-N 3.32Å; V1221-A1223 PolarHBondContact O-N 3.2Å; A1223-A1227 WeakPolarHBondContact O-CB 3.34Å; A1223-A1227 PolarHBondContact O-N 3.25Å
1224V92.8Very high87.2Confident1 Ų120.9 Ų20.91%0.00613%0.127CC..Hα-helixtrans-61.5-50.7170.8168.30000111.1I1148 L1177 F1181 A1220 V1221 K1226 A1227 V1228I1148-V1224 HydrophobicContact CB-CG2 4.34Å; I1148-V1224 HydrophobicContact CD1-CG2 3.75Å; I1148-V1224 HydrophobicContact CG1-CG2 3.75Å; I1148-V1224 HydrophobicContact CG2-CG2 3.66Å; L1177-V1224 HydrophobicContact CD1-CG1 4.1Å; L1177-V1224 HydrophobicContact CD2-CG1 4.11Å; L1177-V1224 HydrophobicContact CD2-CG2 3.93Å; F1181-V1224 HydrophobicContact CE2-CG1 4.27Å; F1181-V1224 HydrophobicContact CE2-CG2 4.24Å; F1181-V1224 HydrophobicContact CZ-CB 4.22Å; F1181-V1224 HydrophobicContact CZ-CG1 4.18Å; F1181-V1224 HydrophobicContact CZ-CG2 4.03Å; A1220-V1224 WeakPolarHBondContact O-CG2 3.42Å; A1220-V1224 PolarHBondContact O-N 3.41Å; V1221-V1224 PolarHBondContact O-N 2.92Å; V1224-K1226 VanDerWaalsContact C-N 3.34Å; V1224-K1226 PolarHBondContact O-N 2.84Å; V1224-A1227 PolarHBondContact O-N 3.07Å; V1224-V1228 HydrophobicContact CG1-CG2 4.32Å; V1224-V1228 WeakPolarHBondContact O-CG2 3.43Å; V1224-V1228 PolarHBondContact O-N 3.31Å
1225L91.9Very high85.9Confident1 Ų125.6 Ų25.61%0.00515%0.147CC..Hα-helixtrans-60.5-41.6-179.1-71177.6000112.1V1221 F1222 F1229 L1284 I1287 V1293 L1321 I1325V1221-L1225 HydrophobicContact CG1-CD1 4Å; V1221-L1225 HydrophobicContact CG1-CG 4.39Å; V1221-L1225 WeakPolarHBondContact O-CB 3.37Å; V1221-L1225 VanDerWaalsContact O-CG 3.32Å; V1221-L1225 WeakPolarHBondContact O-CG 3.32Å; V1221-L1225 PolarHBondContact O-N 3.13Å; F1222-L1225 PolarHBondContact O-N 3.15Å; L1225-F1229 WeakPolarHBondContact O-CB 3.44Å; L1225-F1229 PolarHBondContact O-N 3.48Å; L1225-L1284 HydrophobicContact CB-CD1 4.45Å; L1225-L1284 HydrophobicContact CD2-CD1 3.69Å; L1225-I1287 HydrophobicContact CD2-CG2 3.87Å; L1225-V1293 HydrophobicContact CD1-CG1 4.28Å; L1225-L1321 HydrophobicContact CB-CD1 4.22Å; L1225-L1321 HydrophobicContact CB-CD2 4.34Å; L1225-I1325 HydrophobicContact CD1-CD1 4.03Å; L1225-I1325 HydrophobicContact CD1-CG1 4.3Å
1226K90.3Very high84.3Confident19 Ų1926 Ų268%0.08315%0.153CC..Hα-helixtrans-59.6-52.1171.9-74.5163.9-176.81740111.6F1222 V1224 F1229 V1230 D1307 D1310 L1313F1222-K1226 WeakPolarHBondContact O-CB 3.25Å; F1222-K1226 WeakPolarHBondContact O-CD 3.48Å; F1222-K1226 WeakPolarHBondContact O-CG 3.39Å; F1222-K1226 PolarHBondContact O-N 3.44Å; V1224-K1226 VanDerWaalsContact C-N 3.34Å; V1224-K1226 PolarHBondContact O-N 2.84Å; K1226-F1229 PolarHBondContact O-N 2.81Å; K1226-V1230 WeakPolarHBondContact O-CG2 3.28Å; K1226-V1230 PolarHBondContact O-N 2.99Å; K1226-D1307 WeakPolarHBondContact CE-O 3.32Å; K1226-D1307 PolarHBondContact NZ-O 3.38Å; K1226-D1310 VanDerWaalsContact NZ-CB 3.31Å; K1226-D1310 IonicContact NZ-OD2 3.53Å; K1226-D1310 PolarHBondContact NZ-OD2 2.96Å; K1226-L1313 HydrophobicContact CG-CD1 3.94Å; K1226-L1313 HydrophobicContact CG-CG 4.26Å
1227A90.8Very high81.7Confident3 Ų334.4 Ų34.43%0.02519%0.189CC..Hα-helixtrans-65.4-43.8-173.700000112.4L1156 A1223 V1224 V1230 L1231L1156-A1227 HydrophobicContact CB-CB 3.97Å; L1156-A1227 HydrophobicContact CD1-CB 3.69Å; A1223-A1227 WeakPolarHBondContact O-CB 3.34Å; A1223-A1227 PolarHBondContact O-N 3.25Å; V1224-A1227 PolarHBondContact O-N 3.07Å; A1227-V1230 PolarHBondContact O-N 3.49Å; A1227-L1231 WeakPolarHBondContact O-CB 3.5Å; A1227-L1231 PolarHBondContact O-N 3.13Å
1228V91.9Very high79.4Confident1 Ų132.5 Ų32.51%0.00619%0.188CC..Hα-helixtrans-69.2-34.2175.4-174.80000111.1L1156 L1177 V1224 G1232 A1280 V1283 L1284L1156-V1228 HydrophobicContact CD1-CG2 3.65Å; L1156-V1228 HydrophobicContact CD2-CG2 4.47Å; L1177-V1228 HydrophobicContact CD1-CG2 4.18Å; V1224-V1228 HydrophobicContact CG1-CG2 4.32Å; V1224-V1228 WeakPolarHBondContact O-CG2 3.43Å; V1224-V1228 PolarHBondContact O-N 3.31Å; V1228-G1232 PolarHBondContact O-N 3.38Å; V1228-A1280 HydrophobicContact CG1-CB 4.09Å; V1228-A1280 WeakPolarHBondContact CG1-O 3.39Å; V1228-V1283 HydrophobicContact CG1-CB 4.46Å; V1228-V1283 HydrophobicContact CG1-CG1 4.27Å; V1228-L1284 HydrophobicContact CB-CD1 4.46Å; V1228-L1284 HydrophobicContact CG1-CB 3.96Å
1229F89.8Confident76.9Confident11 Ų1134.4 Ų34.45%0.04820%0.204CC..Hα-helixtrans-62.5-49.8172.3-172.5-70.1000111.6L1225 K1226 L1231 G1232 D1233 L1284 L1313 Q1317 R1320 L1321 L1324L1225-F1229 WeakPolarHBondContact O-CB 3.44Å; L1225-F1229 PolarHBondContact O-N 3.48Å; K1226-F1229 PolarHBondContact O-N 2.81Å; F1229-L1231 VanDerWaalsContact C-N 3.33Å; F1229-L1231 PolarHBondContact O-N 2.91Å; F1229-G1232 CarbonylContact O-C 2.84Å; F1229-G1232 WeakPolarHBondContact O-CA 3.48Å; F1229-G1232 PolarHBondContact O-N 3.3Å; F1229-D1233 HydrophobicContact CD1-CB 4.06Å; F1229-D1233 HydrophobicContact CE1-CB 3.59Å; F1229-D1233 HydrophobicContact CZ-CB 4.37Å; F1229-D1233 WeakPolarHBondContact O-CB 3.33Å; F1229-D1233 PolarHBondContact O-N 3.48Å; F1229-L1284 HydrophobicContact CB-CD2 4.03Å; F1229-L1284 HydrophobicContact CD2-CD2 3.62Å; F1229-L1284 HydrophobicContact CE2-CD2 4.49Å; F1229-L1284 HydrophobicContact CG-CD2 4.24Å; F1229-L1313 HydrophobicContact CD1-CD2 4.14Å; F1229-Q1317 HydrophobicContact CD1-CB 4.2Å; F1229-Q1317 HydrophobicContact CE1-CB 3.49Å; F1229-Q1317 VanDerWaalsContact CE1-CB 3.49Å; F1229-Q1317 HydrophobicContact CE1-CG 3.69Å; F1229-Q1317 HydrophobicContact CZ-CB 4Å; F1229-Q1317 HydrophobicContact CZ-CG 4.33Å; F1229-R1320 HydrophobicContact CE2-CB 3.77Å; F1229-R1320 HydrophobicContact CZ-CB 3.78Å; F1229-L1321 HydrophobicContact CD2-CB 3.71Å; F1229-L1321 HydrophobicContact CD2-CD1 4.05Å; F1229-L1321 HydrophobicContact CD2-CG 4.33Å; F1229-L1321 HydrophobicContact CE2-CB 4.01Å; F1229-L1321 HydrophobicContact CG-CB 4.43Å; F1229-L1324 HydrophobicContact CE2-CD1 4.46Å
1230V88.3Confident74.3Confident29 Ų2936.1 Ų36.118%0.17622%0.222CC..Hα-helixtrans-60.6-42.7-179.2169.40000111A1160 K1226 A1227 G1232 D1233 A1234 V1312 L1313A1160-V1230 HydrophobicContact CB-CG1 3.91Å; K1226-V1230 WeakPolarHBondContact O-CG2 3.28Å; K1226-V1230 PolarHBondContact O-N 2.99Å; A1227-V1230 PolarHBondContact O-N 3.49Å; V1230-G1232 VanDerWaalsContact C-N 3.31Å; V1230-G1232 PolarHBondContact O-N 3.18Å; V1230-D1233 PolarHBondContact O-N 2.93Å; V1230-A1234 WeakPolarHBondContact O-CB 3.26Å; V1230-A1234 PolarHBondContact O-N 3.44Å; V1230-A1234 VanDerWaalsContact O-N 3.1Å; V1230-V1312 HydrophobicContact CG2-CG1 4.14Å; V1230-L1313 HydrophobicContact CG2-CD2 3.64Å
1231L88.5Confident71.5Confident0 Ų044.6 Ų44.60%026%0.257CS..Hα-helixtrans-63.7-35.6173.9-174.863.4000112.8L1156 A1159 A1160 A1170 A1227 F1229 L1276 A1280L1156-L1231 HydrophobicContact CD2-CD2 3.52Å; A1159-L1231 HydrophobicContact CB-CD1 3.81Å; A1160-L1231 HydrophobicContact CB-CD1 4.23Å; A1170-L1231 HydrophobicContact CB-CD2 4.19Å; A1227-L1231 WeakPolarHBondContact O-CB 3.5Å; A1227-L1231 PolarHBondContact O-N 3.13Å; F1229-L1231 VanDerWaalsContact C-N 3.33Å; F1229-L1231 PolarHBondContact O-N 2.91Å; L1231-L1276 HydrophobicContact CD1-CD2 3.84Å; L1231-L1276 HydrophobicContact CD1-CG 4.29Å; L1231-L1276 HydrophobicContact CD2-CD1 4.2Å; L1231-L1276 HydrophobicContact CD2-CD2 4.06Å; L1231-L1276 HydrophobicContact CD2-CG 4.03Å; L1231-L1276 HydrophobicContact CG-CD2 4.27Å; L1231-L1276 HydrophobicContact CG-CG 4.23Å; L1231-A1280 HydrophobicContact CB-CB 4.37Å; L1231-A1280 HydrophobicContact CD2-CB 4.26Å; L1231-A1280 HydrophobicContact CG-CB 4.17Å
1232G85.5Confident68.3Low4 Ų450.8 Ų50.84%0.04130%0.295CS..Hα-helixtrans-75.7-30177.300000114.6V1228 F1229 V1230 K1281V1228-G1232 PolarHBondContact O-N 3.38Å; F1229-G1232 CarbonylContact O-C 2.84Å; F1229-G1232 WeakPolarHBondContact O-CA 3.48Å; F1229-G1232 PolarHBondContact O-N 3.3Å; V1230-G1232 VanDerWaalsContact C-N 3.31Å; V1230-G1232 PolarHBondContact O-N 3.18Å; G1232-K1281 VanDerWaalsContact O-CE 3.25Å; G1232-K1281 WeakPolarHBondContact O-CE 3.42Å; G1232-K1281 PolarHBondContact O-NZ 3.2Å
1233D82Confident65.4Low50 Ų5056.7 Ų56.727%0.26733%0.331SS..Hα-helixtrans-93.9-9-177.9-15365.9000112.6F1229 V1230 E1235 Q1317 R1320F1229-D1233 HydrophobicContact CD1-CB 4.06Å; F1229-D1233 HydrophobicContact CE1-CB 3.59Å; F1229-D1233 HydrophobicContact CZ-CB 4.37Å; F1229-D1233 WeakPolarHBondContact O-CB 3.33Å; F1229-D1233 PolarHBondContact O-N 3.48Å; V1230-D1233 PolarHBondContact O-N 2.93Å; D1233-E1235 PolarHBondContact O-N 3.37Å; D1233-Q1317 WeakPolarHBondContact OD2-CG 3.19Å; D1233-Q1317 PolarHBondContact OD2-NE2 3.4Å; D1233-R1320 IonicContact OD1-NH1 3.74Å; D1233-R1320 PolarHBondContact OD1-NH1 3.26Å; D1233-R1320 IonicContact OD2-NH1 2.74Å; D1233-R1320 PolarHBondContact OD2-NH1 3.03Å
1234A67.5Low62.5Low25 Ų2562 Ų6221%0.20737%0.365CS..SBendtrans-65.9121.7171.500000111.6V1230 L1236V1230-A1234 WeakPolarHBondContact O-CB 3.26Å; V1230-A1234 PolarHBondContact O-N 3.44Å; V1230-A1234 VanDerWaalsContact O-N 3.1Å; A1234-L1236 VanDerWaalsContact C-N 3.27Å; A1234-L1236 PolarHBondContact O-N 3.12Å
1235E53.4Low59.4Low147 Ų14765.7 Ų65.769%0.68740%0.403SS*.  trans-72.379.4170.5-68.8-171154.100110.7D1233 K1237D1233-E1235 PolarHBondContact O-N 3.37Å; E1235-K1237 VanDerWaalsContact C-N 3.28Å; E1235-K1237 HydrophobicContact CB-CG 4.47Å; E1235-K1237 PolarHBondContact O-N 3.18Å; E1235-K1237 WeakPolarHBondContact OE2-CE 3.5Å; E1235-K1237 IonicContact OE2-NZ 2.9Å; E1235-K1237 PolarHBondContact OE2-NZ 2.9Å
1236L49.6Very low56.3Low61 Ų6169.5 Ų69.532%0.31944%0.443SS..  trans-66.383.3173.4-70.5173.2000110.8A1234 G1238 L1276A1234-L1236 VanDerWaalsContact C-N 3.27Å; A1234-L1236 PolarHBondContact O-N 3.12Å; L1236-G1238 PolarHBondContact O-N 2.74Å; L1236-L1276 HydrophobicContact CD1-CB 4.3Å
1237K35Very low53.2Low179 Ų17975.4 Ų75.478%0.77848%0.48SS*.THydrogen-bonded Turntrans-73.454.4-177.7-76.2166.6179.7152.30113.3E1235E1235-K1237 VanDerWaalsContact C-N 3.28Å; E1235-K1237 HydrophobicContact CB-CG 4.47Å; E1235-K1237 PolarHBondContact O-N 3.18Å; E1235-K1237 WeakPolarHBondContact OE2-CE 3.5Å; E1235-K1237 IonicContact OE2-NZ 2.9Å; E1235-K1237 PolarHBondContact OE2-NZ 2.9Å
1238G38.6Very low50.1Low48 Ų4883.4 Ų83.450%0.49552%0.517SS..THydrogen-bonded Turntrans-132.6-19.9179.300000115.9L1236 G1240L1236-G1238 PolarHBondContact O-N 2.74Å; G1238-G1240 PolarHBondContact O-N 2.96Å; G1238-G1240 VanDerWaalsContact O-N 3.1Å
1239S32.7Very low46.9Very low84 Ų8492 Ų9259%0.58756%0.557SS**  trans-73.6105.2-176-172.50000112.4F1241S1239-F1241 PolarHBondContact O-N 3.16Å
1240G29.8Very low43.9Very low73 Ų7399.6 Ų99.675%0.75360%0.598SS**  trans-72.332.2-172.500000117.3G1238G1238-G1240 PolarHBondContact O-N 2.96Å; G1238-G1240 VanDerWaalsContact O-N 3.1Å
1241F31.3Very low41Very low188 Ų188104 Ų10483%0.82563%0.627SS**  trans-10069.3176.4-99.4-83.3000112.5S1239 V1243S1239-F1241 PolarHBondContact O-N 3.16Å; F1241-V1243 PolarHBondContact O-N 2.94Å
1242T25.3Very low38Very low132 Ų132113 Ų11381%0.8167%0.669SS**  trans-71.894171.554.10000111.3
1243V27.6Very low35.3Very low125 Ų125122.2 Ų122.276%0.75871%0.711SS**  trans-84.9119.7158.7-179.50000107.8F1241F1241-V1243 PolarHBondContact O-N 2.94Å
1244P30Very low32.6Very low120 Ų120129.1 Ų129.178%0.77974%0.742SS**  trans-86.8136.1-177.432.8-33.3000112.5
1245G27Very low30.6Very low79 Ų79131.8 Ų131.881%0.81477%0.771SS**  trans104137.7173.400000113.5
1246G26.9Very low29.2Very low81 Ų81128.7 Ų128.784%0.83578%0.779SS**  cis-169168.6-1.500000112.6
1247T26Very low27.9Very low143 Ų143130 Ų13088%0.87781%0.808SS**  trans-93.4128.5178.5-52.80000110.7
1248E25Very low27.4Very low171 Ų171125.2 Ų125.280%0.79981%0.808SS**  trans177.1127150.2-98.7161.3-172.900105.9
1249E24.8Very low26.9Very low182 Ų182128.9 Ų128.985%0.8583%0.827SS**  50.1110.585.5-69.1-161.8170.600114.2
1250L26.4Very low26.5Very low170 Ų170130.8 Ų130.889%0.8984%0.84SS**  trans-137.7122.6160.4-82.6176.2000109.1
1251P28.4Very low26.4Very low121 Ų121130.6 Ų130.679%0.78684%0.838SS**  trans-86.9170-177.835.4-36.4000113.4
1252E25.8Very low26.1Very low191 Ų191132.1 Ų132.189%0.89384%0.838SS**  trans-67.3143.1168.3-53.1176.7115.700111.9
1253E28.3Very low26.1Very low197 Ų197137.8 Ų137.892%0.92185%0.845SS**  -160.2167.9129.5-129.4-174174.500112.8
1254E25.2Very low26Very low195 Ų195141.5 Ų141.591%0.91185%0.854SS**  trans-83.3157.5-178.5-60.9-177.488.800113.9
1255G24.7Very low25.8Very low80 Ų80139.6 Ų139.683%0.82586%0.856SS**  trans121.3146.4139.600000118.1
1256G24.1Very low25.8Very low83 Ų83138.8 Ų138.886%0.85685%0.847SS**  trans92.2102167.900000115
1257G23.2Very low25.8Very low89 Ų89146.5 Ų146.592%0.91885%0.851SS**  trans-81.6155.517100000113.1
1258G24.6Very low26.1Very low77 Ų77147.5 Ų147.579%0.79485%0.851SS**  trans177.3116.1173.100000112.9S1260G1258-S1260 PolarHBondContact O-N 2.99Å
1259S27.2Very low26.8Very low126 Ų126145.7 Ų145.788%0.88185%0.845SS**  trans-66.6120.8179.8-57.90000112.1
1260S25.3Very low28.7Very low123 Ų123139.7 Ų139.786%0.8682%0.824SS**  trans-161.8130.1159.9-92.80000115.9G1258G1258-S1260 PolarHBondContact O-N 2.99Å
1261G27.4Very low30.9Very low69 Ų69134.4 Ų134.471%0.71180%0.799SS**  72.190.6126.100000118.5R1263G1261-R1263 PolarHBondContact O-N 2.61Å; G1261-R1263 VanDerWaalsContact O-N 3.11Å
1262R24.7Very low32.8Very low220 Ų220132.2 Ų132.283%0.8378%0.778SS**  trans-45.1117.2157.7-74.7177.5166.8-167.8-6.8111
1263R25.4Very low35.2Very low251 Ų251127.4 Ų127.495%0.94776%0.762SS**  trans-126.584.3161.5-77.1-167.7175-162.70.9110.1G1261G1261-R1263 PolarHBondContact O-N 2.61Å; G1261-R1263 VanDerWaalsContact O-N 3.11Å
1264Q26.2Very low37.9Very low204 Ų204119 Ų11995%0.95373%0.726SS**  trans-107.4106.3163.4-158.2171.633.300107.4
1265G25.6Very low40.9Very low80 Ų80111.6 Ų111.683%0.82570%0.695SS**  trans-141.826.3-172.300000112.6
1266G27.5Very low43.9Very low61 Ų61107.9 Ų107.963%0.62966%0.657SS**  trans-74.7144.1167.300000110.2N1268G1266-N1268 PolarHBondContact O-N 3.1Å
1267R27.3Very low46.9Very low243 Ų243105.4 Ų105.492%0.91762%0.624SS**  trans-69.4119.8166.9-78177.3168.8167-5.2108.3I1269R1267-I1269 PolarHBondContact O-N 2.89Å
1268N31.9Very low50.1Low164 Ų164104.2 Ų104.288%0.87760%0.599SS**  trans-66.597.6169.4-68.4-6.4000108.8G1266G1266-N1268 PolarHBondContact O-N 3.1Å
1269I40.1Very low53.2Low133 Ų133100.8 Ų100.868%0.68256%0.562SS**  trans-61132.9159.7-60.2171.1000106R1267 V1271R1267-I1269 PolarHBondContact O-N 2.89Å; I1269-V1271 PolarHBondContact O-N 2.66Å
1270S63.1Low56.3Low56 Ų5694.8 Ų94.839%0.39252%0.52SS..  trans-63.9126.9175.1-169.60000108.8E1272 T1273S1270-E1272 PolarHBondContact O-N 2.6Å; S1270-E1272 VanDerWaalsContact O-N 3.16Å; S1270-E1272 PolarHBondContact OG-OE2 2.92Å; S1270-T1273 PolarHBondContact O-N 3.04Å; S1270-T1273 PolarHBondContact O-OG1 3.18Å
1271V73Confident59.4Low60 Ų6093.6 Ų93.636%0.36450%0.499SS..G310 helixtrans-59.2-29.8-179.9175.80000110.7I1269 T1273 A1274 Y1279 Y1282I1269-V1271 PolarHBondContact O-N 2.66Å; V1271-T1273 PolarHBondContact O-N 2.67Å; V1271-A1274 WeakPolarHBondContact O-CB 3.39Å; V1271-A1274 PolarHBondContact O-N 2.79Å; V1271-A1274 VanDerWaalsContact O-N 3.1Å; V1271-Y1279 HydrophobicContact CG1-CD2 4.19Å; V1271-Y1279 WeakPolarHBondContact O-CD2 3.24Å; V1271-Y1282 HydrophobicContact CG1-CD1 3.62Å; V1271-Y1282 HydrophobicContact CG1-CD2 3.98Å; V1271-Y1282 HydrophobicContact CG1-CE1 4.19Å; V1271-Y1282 HydrophobicContact CG1-CG 3.51Å
1272E67.6Low62.4Low74 Ų7495 Ų9535%0.34648%0.483SS..G310 helixtrans-64-21.3176.6-64.9157.9162.300113.8R1171 R1175 S1270 Y1279R1171-E1272 PolarHBondContact NH1-O 3.43Å; R1175-E1272 IonicContact CZ-OE1 2.74Å; R1175-E1272 IonicContact NH1-OE1 3.67Å; R1175-E1272 PolarHBondContact NH1-OE1 3.48Å; R1175-E1272 IonicContact NH2-OE1 3.02Å; R1175-E1272 PolarHBondContact NH2-OE1 3.38Å; S1270-E1272 PolarHBondContact O-N 2.6Å; S1270-E1272 VanDerWaalsContact O-N 3.16Å; S1270-E1272 PolarHBondContact OG-OE2 2.92Å; E1272-Y1279 HydrophobicContact CB-CE2 4.42Å; E1272-Y1279 HydrophobicContact CG-CE2 4.08Å
1273T77.9Confident65.6Low91 Ų9184.5 Ų84.556%0.55844%0.444SS*.G310 helixtrans-106.511.817565.10000113.2L1123 S1270 V1271L1123-T1273 HydrophobicContact CD1-CG2 4Å; S1270-T1273 PolarHBondContact O-N 3.04Å; S1270-T1273 PolarHBondContact O-OG1 3.18Å; V1271-T1273 PolarHBondContact O-N 2.67Å
1274A84.8Confident68.8Low20 Ų2072.9 Ų72.917%0.16540%0.401CS..SBendtrans-75.3164.5168.700000110.8R1171 V1271 V1278R1171-A1274 VanDerWaalsContact CZ-O 3.26Å; R1171-A1274 PolarHBondContact NH1-O 3.09Å; R1171-A1274 PolarHBondContact NH2-O 3.39Å; V1271-A1274 WeakPolarHBondContact O-CB 3.39Å; V1271-A1274 PolarHBondContact O-N 2.79Å; V1271-A1274 VanDerWaalsContact O-N 3.1Å; A1274-V1278 HydrophobicContact CB-CB 4Å; A1274-V1278 HydrophobicContact CB-CG1 3.76Å
1275S86.8Confident71.8Confident39 Ų3967.5 Ų67.527%0.27337%0.372SS..  trans-57.6153.4174.549.70000112.2D1277 V1278 Y1279S1275-D1277 VanDerWaalsContact CB-OD1 3.26Å; S1275-D1277 WeakPolarHBondContact CB-OD1 3.41Å; S1275-D1277 PolarHBondContact O-N 2.94Å; S1275-D1277 PolarHBondContact OG-OD1 3.33Å; S1275-V1278 PolarHBondContact O-N 3.43Å; S1275-V1278 WeakPolarHBondContact OG-CG2 3.32Å; S1275-Y1279 PolarHBondContact O-N 3.27Å
1276L88.3Confident74.8Confident2 Ų264.5 Ų64.51%0.0134%0.338CS..Hα-helixtrans-56.5-35.6-173.9-175.361000113.3A1159 E1167 A1170 R1171 L1231 L1236 Y1279 A1280A1159-L1276 HydrophobicContact CB-CD2 4.23Å; E1167-L1276 HydrophobicContact CB-CD2 4.14Å; E1167-L1276 HydrophobicContact CG-CB 4.11Å; E1167-L1276 HydrophobicContact CG-CD2 4.06Å; E1167-L1276 PolarHBondContact OE1-N 2.85Å; A1170-L1276 HydrophobicContact CB-CD1 4.46Å; A1170-L1276 HydrophobicContact CB-CD2 3.93Å; R1171-L1276 HydrophobicContact CB-CD1 4.1Å; L1231-L1276 HydrophobicContact CD1-CD2 3.84Å; L1231-L1276 HydrophobicContact CD1-CG 4.29Å; L1231-L1276 HydrophobicContact CD2-CD1 4.2Å; L1231-L1276 HydrophobicContact CD2-CD2 4.06Å; L1231-L1276 HydrophobicContact CD2-CG 4.03Å; L1231-L1276 HydrophobicContact CG-CD2 4.27Å; L1231-L1276 HydrophobicContact CG-CG 4.23Å; L1236-L1276 HydrophobicContact CD1-CB 4.3Å; L1276-Y1279 PolarHBondContact O-N 2.9Å; L1276-A1280 VanDerWaalsContact O-CB 3.24Å; L1276-A1280 WeakPolarHBondContact O-CB 3.44Å; L1276-A1280 PolarHBondContact O-N 2.99Å
1277D87.5Confident77.9Confident32 Ų3261.7 Ų61.717%0.17131%0.308CS..Hα-helixtrans-64.1-42.5176.978.8-66.8000111.9S1275 K1281S1275-D1277 VanDerWaalsContact CB-OD1 3.26Å; S1275-D1277 WeakPolarHBondContact CB-OD1 3.41Å; S1275-D1277 PolarHBondContact O-N 2.94Å; S1275-D1277 PolarHBondContact OG-OD1 3.33Å; D1277-K1281 WeakPolarHBondContact O-CB 3.36Å; D1277-K1281 WeakPolarHBondContact O-CG 3.38Å; D1277-K1281 PolarHBondContact O-N 3.48Å; D1277-K1281 IonicContact OD2-NZ 3.48Å; D1277-K1281 PolarHBondContact OD2-NZ 3.42Å
1278V89.2Confident80.9Confident64 Ų6450.2 Ų50.239%0.38827%0.265SS..Hα-helixtrans-70.6-38.1177.7175.20000110.3A1274 S1275 Y1282A1274-V1278 HydrophobicContact CB-CB 4Å; A1274-V1278 HydrophobicContact CB-CG1 3.76Å; S1275-V1278 PolarHBondContact O-N 3.43Å; S1275-V1278 WeakPolarHBondContact OG-CG2 3.32Å; V1278-Y1282 PolarHBondContact O-N 2.99Å
1279Y91.5Very high83.5Confident5 Ų545.7 Ų45.72%0.0224%0.239CC..Hα-helixtrans-66.5-43.6175-166.7-112.6000111.9R1171 C1174 R1175 V1271 E1272 S1275 L1276 Y1282 V1283R1171-Y1279 HydrophobicContact CG-CD1 4.21Å; R1171-Y1279 HydrophobicContact CG-CE1 4.21Å; C1174-Y1279 HydrophobicContact CB-CD1 3.96Å; C1174-Y1279 HydrophobicContact CB-CE1 3.8Å; R1175-Y1279 PolarHBondContact NH1-OH 3.33Å; V1271-Y1279 HydrophobicContact CG1-CD2 4.19Å; V1271-Y1279 WeakPolarHBondContact O-CD2 3.24Å; E1272-Y1279 HydrophobicContact CB-CE2 4.42Å; E1272-Y1279 HydrophobicContact CG-CE2 4.08Å; S1275-Y1279 PolarHBondContact O-N 3.27Å; L1276-Y1279 PolarHBondContact O-N 2.9Å; Y1279-Y1282 HydrophobicContact CD2-CD1 4.45Å; Y1279-Y1282 HydrophobicContact CE2-CD1 4.35Å; Y1279-Y1282 WeakPolarHBondContact O-CB 3.49Å; Y1279-Y1282 PolarHBondContact O-N 3.21Å; Y1279-V1283 HydrophobicContact CD1-CG2 4.12Å; Y1279-V1283 HydrophobicContact CE1-CG2 3.87Å; Y1279-V1283 WeakPolarHBondContact O-CG2 3.29Å; Y1279-V1283 PolarHBondContact O-N 3.2Å
1280A92.2Very high85.8Confident0 Ų041 Ų410%021%0.214CC..Hα-helixtrans-63.5-4317500000111.8V1228 L1231 L1276 Y1282 V1283 L1284V1228-A1280 HydrophobicContact CG1-CB 4.09Å; V1228-A1280 WeakPolarHBondContact CG1-O 3.39Å; L1231-A1280 HydrophobicContact CB-CB 4.37Å; L1231-A1280 HydrophobicContact CD2-CB 4.26Å; L1231-A1280 HydrophobicContact CG-CB 4.17Å; L1276-A1280 VanDerWaalsContact O-CB 3.24Å; L1276-A1280 WeakPolarHBondContact O-CB 3.44Å; L1276-A1280 PolarHBondContact O-N 2.99Å; A1280-Y1282 VanDerWaalsContact C-N 3.31Å; A1280-Y1282 PolarHBondContact O-N 2.85Å; A1280-V1283 PolarHBondContact O-N 3.02Å; A1280-L1284 VanDerWaalsContact O-CB 3.29Å; A1280-L1284 WeakPolarHBondContact O-CB 3.44Å; A1280-L1284 PolarHBondContact O-N 2.83Å
1281K89.8Confident86.7Confident98 Ų9843.1 Ų43.143%0.42622%0.218SC..Hα-helixtrans-57.3-40.8171.6-73.2168.3179.589.10112.1G1232 D1277 R1285G1232-K1281 VanDerWaalsContact O-CE 3.25Å; G1232-K1281 WeakPolarHBondContact O-CE 3.42Å; G1232-K1281 PolarHBondContact O-NZ 3.2Å; D1277-K1281 WeakPolarHBondContact O-CB 3.36Å; D1277-K1281 WeakPolarHBondContact O-CG 3.38Å; D1277-K1281 PolarHBondContact O-N 3.48Å; D1277-K1281 IonicContact OD2-NZ 3.48Å; D1277-K1281 PolarHBondContact OD2-NZ 3.42Å; K1281-R1285 WeakPolarHBondContact O-CB 3.46Å; K1281-R1285 PolarHBondContact O-N 3.39Å
1282Y90.8Very high87.2Confident97 Ų9741.4 Ų41.438%0.3821%0.205SC..Hα-helixtrans-66.4-51.9174.6167-103.1000112L1178 V1271 V1278 Y1279 A1280 L1284 R1285 S1286L1178-Y1282 HydrophobicContact CD2-CE1 4.06Å; V1271-Y1282 HydrophobicContact CG1-CD1 3.62Å; V1271-Y1282 HydrophobicContact CG1-CD2 3.98Å; V1271-Y1282 HydrophobicContact CG1-CE1 4.19Å; V1271-Y1282 HydrophobicContact CG1-CG 3.51Å; V1278-Y1282 PolarHBondContact O-N 2.99Å; Y1279-Y1282 HydrophobicContact CD2-CD1 4.45Å; Y1279-Y1282 HydrophobicContact CE2-CD1 4.35Å; Y1279-Y1282 WeakPolarHBondContact O-CB 3.49Å; Y1279-Y1282 PolarHBondContact O-N 3.21Å; A1280-Y1282 VanDerWaalsContact C-N 3.31Å; A1280-Y1282 PolarHBondContact O-N 2.85Å; Y1282-L1284 VanDerWaalsContact C-N 3.35Å; Y1282-L1284 PolarHBondContact O-N 2.96Å; Y1282-R1285 PolarHBondContact O-N 3.37Å; Y1282-R1285 VanDerWaalsContact O-N 3.15Å; Y1282-S1286 PolarHBondContact O-N 2.96Å; Y1282-S1286 PolarHBondContact O-OG 3.13Å
1283V92Very high88.2Confident0 Ų038 Ų380%019%0.189CC..Hα-helixtrans-58.6-45.8-179.5168.30000111C1174 L1178 V1228 Y1279 A1280 R1285 S1286 I1287C1174-V1283 HydrophobicContact CB-CG1 4.47Å; C1174-V1283 HydrophobicContact CB-CG2 4.2Å; L1178-V1283 HydrophobicContact CB-CG1 4.22Å; L1178-V1283 HydrophobicContact CB-CG2 4.35Å; L1178-V1283 HydrophobicContact CD2-CG2 4.28Å; V1228-V1283 HydrophobicContact CG1-CB 4.46Å; V1228-V1283 HydrophobicContact CG1-CG1 4.27Å; Y1279-V1283 HydrophobicContact CD1-CG2 4.12Å; Y1279-V1283 HydrophobicContact CE1-CG2 3.87Å; Y1279-V1283 WeakPolarHBondContact O-CG2 3.29Å; Y1279-V1283 PolarHBondContact O-N 3.2Å; A1280-V1283 PolarHBondContact O-N 3.02Å; V1283-R1285 PolarHBondContact O-N 3.46Å; V1283-S1286 PolarHBondContact O-N 3.38Å; V1283-I1287 HydrophobicContact CG1-CD1 3.74Å; V1283-I1287 HydrophobicContact CG1-CG1 4.4Å; V1283-I1287 WeakPolarHBondContact O-CB 3.31Å; V1283-I1287 VanDerWaalsContact O-CG1 3.3Å; V1283-I1287 WeakPolarHBondContact O-CG1 3.45Å; V1283-I1287 PolarHBondContact O-N 2.77Å
1284L91.5Very high88.5Confident8 Ų834.1 Ų34.14%0.04217%0.167CC..Hα-helixtrans-56.7-49.6174.8-177.972.2000111.6L1225 V1228 F1229 A1280 Y1282 S1286 I1287 C1288 L1321 L1324L1225-L1284 HydrophobicContact CB-CD1 4.45Å; L1225-L1284 HydrophobicContact CD2-CD1 3.69Å; V1228-L1284 HydrophobicContact CB-CD1 4.46Å; V1228-L1284 HydrophobicContact CG1-CB 3.96Å; F1229-L1284 HydrophobicContact CB-CD2 4.03Å; F1229-L1284 HydrophobicContact CD2-CD2 3.62Å; F1229-L1284 HydrophobicContact CE2-CD2 4.49Å; F1229-L1284 HydrophobicContact CG-CD2 4.24Å; A1280-L1284 VanDerWaalsContact O-CB 3.29Å; A1280-L1284 WeakPolarHBondContact O-CB 3.44Å; A1280-L1284 PolarHBondContact O-N 2.83Å; Y1282-L1284 VanDerWaalsContact C-N 3.35Å; Y1282-L1284 PolarHBondContact O-N 2.96Å; L1284-S1286 PolarHBondContact O-N 3.29Å; L1284-I1287 PolarHBondContact O-N 2.95Å; L1284-C1288 PolarHBondContact O-N 3.42Å; L1284-C1288 PolarHBondContact O-SG 3.4Å; L1284-C1288 VanDerWaalsContact O-SG 3.39Å; L1284-L1321 HydrophobicContact CD1-CD1 4.04Å; L1284-L1321 HydrophobicContact CD2-CD1 4.37Å; L1284-L1324 HydrophobicContact CD2-CD1 3.89Å
1285R89.4Confident88.3Confident91 Ų9135.5 Ų35.534%0.34317%0.17SC..Hα-helixtrans-61.2-43.8178.2174.2174.5-91.7156.7-7.3111.3K1281 Y1282 V1283 I1287 C1288 Q1289 L1324 R1330K1281-R1285 WeakPolarHBondContact O-CB 3.46Å; K1281-R1285 PolarHBondContact O-N 3.39Å; Y1282-R1285 PolarHBondContact O-N 3.37Å; Y1282-R1285 VanDerWaalsContact O-N 3.15Å; V1283-R1285 PolarHBondContact O-N 3.46Å; R1285-I1287 VanDerWaalsContact C-N 3.34Å; R1285-I1287 PolarHBondContact O-N 3.09Å; R1285-C1288 PolarHBondContact O-N 3.02Å; R1285-Q1289 HydrophobicContact CG-CG 4.4Å; R1285-Q1289 WeakPolarHBondContact O-CB 3.41Å; R1285-Q1289 WeakPolarHBondContact O-CG 3.46Å; R1285-Q1289 PolarHBondContact O-N 3.41Å; R1285-L1324 HydrophobicContact CB-CD2 4.09Å; R1285-L1324 HydrophobicContact CG-CD2 4.5Å; R1285-R1330 PolarHBondContact NH2-O 2.97Å
1286S89.8Confident88.1Confident16 Ų1636 Ų3611%0.11217%0.166CC..Hα-helixtrans-68.6-28.9179-70.40000113.8Y1282 V1283 L1284 Q1290Y1282-S1286 PolarHBondContact O-N 2.96Å; Y1282-S1286 PolarHBondContact O-OG 3.13Å; V1283-S1286 PolarHBondContact O-N 3.38Å; L1284-S1286 PolarHBondContact O-N 3.29Å; S1286-Q1290 PolarHBondContact O-NE2 2.85Å
1287I92Very high88Confident2 Ų235.9 Ų35.91%0.0117%0.166CC..Hα-helixtrans-73.1-46.2171.1-68173.4000110.5L1177 F1181 L1225 V1283 L1284 R1285 Q1289 Q1290 V1293L1177-I1287 HydrophobicContact CB-CD1 4.46Å; F1181-I1287 HydrophobicContact CB-CD1 4.32Å; F1181-I1287 HydrophobicContact CB-CG1 3.98Å; F1181-I1287 HydrophobicContact CB-CG2 4.15Å; F1181-I1287 HydrophobicContact CD1-CG2 3.83Å; F1181-I1287 HydrophobicContact CG-CD1 4.44Å; F1181-I1287 HydrophobicContact CG-CG2 4.17Å; L1225-I1287 HydrophobicContact CD2-CG2 3.87Å; V1283-I1287 HydrophobicContact CG1-CD1 3.74Å; V1283-I1287 HydrophobicContact CG1-CG1 4.4Å; V1283-I1287 WeakPolarHBondContact O-CB 3.31Å; V1283-I1287 VanDerWaalsContact O-CG1 3.3Å; V1283-I1287 WeakPolarHBondContact O-CG1 3.45Å; V1283-I1287 PolarHBondContact O-N 2.77Å; L1284-I1287 PolarHBondContact O-N 2.95Å; R1285-I1287 VanDerWaalsContact C-N 3.34Å; R1285-I1287 PolarHBondContact O-N 3.09Å; I1287-Q1289 PolarHBondContact O-N 3.39Å; I1287-Q1290 WeakPolarHBondContact O-CB 3.43Å; I1287-Q1290 WeakPolarHBondContact O-CG 3.3Å; I1287-Q1290 PolarHBondContact O-N 2.9Å; I1287-V1293 HydrophobicContact CG2-CG1 4.23Å; I1287-V1293 HydrophobicContact CG2-CG2 4.29Å
1288C89.9Confident87.7Confident2 Ų235 Ų351%0.01416%0.161CC..Hα-helixtrans-65.1-20.8175.1-67.10000113.6L1284 R1285 Q1290 L1324 P1328L1284-C1288 PolarHBondContact O-N 3.42Å; L1284-C1288 PolarHBondContact O-SG 3.4Å; L1284-C1288 VanDerWaalsContact O-SG 3.39Å; R1285-C1288 PolarHBondContact O-N 3.02Å; C1288-Q1290 VanDerWaalsContact C-N 3.28Å; C1288-L1324 WeakPolarHBondContact CB-O 3.31Å; C1288-P1328 HydrophobicContact CB-CB 4.22Å; C1288-P1328 WeakPolarHBondContact O-CB 3.24Å; C1288-P1328 WeakPolarHBondContact O-CG 3.26Å
1289Q87.3Confident87.3Confident70 Ų7034.1 Ų34.133%0.32715%0.152SC..THydrogen-bonded Turntrans-77.6-6.4172.5-77.7172.3-8.500113.9R1285 I1287 P1328R1285-Q1289 HydrophobicContact CG-CG 4.4Å; R1285-Q1289 WeakPolarHBondContact O-CB 3.41Å; R1285-Q1289 WeakPolarHBondContact O-CG 3.46Å; R1285-Q1289 PolarHBondContact O-N 3.41Å; I1287-Q1289 PolarHBondContact O-N 3.39Å; Q1289-P1328 HydrophobicContact CG-CB 3.74Å; Q1289-P1328 PolarHBondContact NE2-O 2.66Å
1290Q86.9Confident86.7Confident33 Ų3334.3 Ų34.315%0.15415%0.154CC..SBendtrans-79.4121.2172.3-53.2-53.1-64.900109.5T1183 S1286 I1287 C1288 W1292 V1293 G1294T1183-Q1290 PolarHBondContact OG1-OE1 3.34Å; S1286-Q1290 PolarHBondContact O-NE2 2.85Å; I1287-Q1290 WeakPolarHBondContact O-CB 3.43Å; I1287-Q1290 WeakPolarHBondContact O-CG 3.3Å; I1287-Q1290 PolarHBondContact O-N 2.9Å; C1288-Q1290 VanDerWaalsContact C-N 3.28Å; Q1290-W1292 VanDerWaalsContact C-N 3.26Å; Q1290-W1292 PolarHBondContact O-N 2.89Å; Q1290-V1293 HydrophobicContact CB-CB 4.28Å; Q1290-V1293 HydrophobicContact CB-CG2 3.87Å; Q1290-V1293 WeakPolarHBondContact O-CB 3.5Å; Q1290-V1293 PolarHBondContact O-N 3.41Å; Q1290-G1294 PolarHBondContact O-N 3.45Å; Q1290-G1294 VanDerWaalsContact O-N 3.14Å
1291E81.8Confident85.9Confident101 Ų10134.4 Ų34.447%0.47215%0.154SC..Hα-helixtrans-54-42.6-174.3-54-174.9156.700112.6V1293 G1294 E1295E1291-V1293 VanDerWaalsContact C-N 3.33Å; E1291-V1293 PolarHBondContact O-N 2.89Å; E1291-G1294 PolarHBondContact O-N 3.47Å; E1291-E1295 WeakPolarHBondContact O-CB 3.38Å; E1291-E1295 PolarHBondContact O-N 2.87Å
1292W84.3Confident84.9Confident25 Ų2532.4 Ų32.410%0.09515%0.152CC..Hα-helixtrans-63.7-35.9-179.977-98000112.6F1181 Q1213 I1216 V1221 Q1290 R1296F1181-W1292 HydrophobicContact CB-CZ2 4.35Å; F1181-W1292 AromaticContact CD1-CH2 3.68Å; F1181-W1292 HydrophobicContact CD1-CH2 3.68Å; F1181-W1292 AromaticContact CD1-CZ2 3.69Å; F1181-W1292 HydrophobicContact CD1-CZ2 3.69Å; F1181-W1292 AromaticContact CE1-CH2 3.84Å; F1181-W1292 HydrophobicContact CE1-CH2 3.84Å; F1181-W1292 HydrophobicContact CE1-CZ2 4.33Å; F1181-W1292 HydrophobicContact CG-CZ2 4.25Å; F1181-W1292 PolarHBondContact O-NE1 3.3Å; Q1213-W1292 HydrophobicContact CB-CH2 4.15Å; Q1213-W1292 HydrophobicContact CB-CZ2 3.88Å; Q1213-W1292 HydrophobicContact CG-CH2 4.5Å; Q1213-W1292 HydrophobicContact CG-CZ2 3.95Å; I1216-W1292 HydrophobicContact CG2-CH2 4.25Å; I1216-W1292 HydrophobicContact CG2-CZ3 3.97Å; V1221-W1292 HydrophobicContact CG2-CZ3 4.37Å; Q1290-W1292 VanDerWaalsContact C-N 3.26Å; Q1290-W1292 PolarHBondContact O-N 2.89Å; W1292-R1296 WeakPolarHBondContact O-CB 3.37Å; W1292-R1296 PolarHBondContact O-N 2.94Å
1293V88.4Confident83.9Confident1 Ų133.9 Ų33.91%0.00616%0.163CC..Hα-helixtrans-68.3-48176.21770000109.8F1181 V1221 L1225 I1287 Q1290 E1291 R1296 C1297F1181-V1293 HydrophobicContact CD1-CG2 3.99Å; V1221-V1293 HydrophobicContact CG1-CG1 3.97Å; L1225-V1293 HydrophobicContact CD1-CG1 4.28Å; I1287-V1293 HydrophobicContact CG2-CG1 4.23Å; I1287-V1293 HydrophobicContact CG2-CG2 4.29Å; Q1290-V1293 HydrophobicContact CB-CB 4.28Å; Q1290-V1293 HydrophobicContact CB-CG2 3.87Å; Q1290-V1293 WeakPolarHBondContact O-CB 3.5Å; Q1290-V1293 PolarHBondContact O-N 3.41Å; E1291-V1293 VanDerWaalsContact C-N 3.33Å; E1291-V1293 PolarHBondContact O-N 2.89Å; V1293-R1296 PolarHBondContact O-N 3.26Å; V1293-C1297 WeakPolarHBondContact O-CB 3.44Å; V1293-C1297 PolarHBondContact O-N 3.23Å; V1293-C1297 PolarHBondContact O-SG 3.46Å
1294G83.9Confident82.7Confident10 Ų1038.5 Ų38.510%0.10319%0.187CC..Hα-helixtrans-59.5-49.9179.800000112.2Q1290 E1291 C1297 L1298Q1290-G1294 PolarHBondContact O-N 3.45Å; Q1290-G1294 VanDerWaalsContact O-N 3.14Å; E1291-G1294 PolarHBondContact O-N 3.47Å; G1294-C1297 PolarHBondContact O-N 3.11Å; G1294-L1298 WeakPolarHBondContact O-CB 3.26Å; G1294-L1298 WeakPolarHBondContact O-CG 3.41Å; G1294-L1298 PolarHBondContact O-N 2.92Å
1295E80.8Confident81.2Confident49 Ų4938.9 Ų38.923%0.22919%0.19CC..Hα-helixtrans-67.2-40.7-179.7-173.8160.5-131.700112.8R517 S518 E1291 L1298 K1299R517-E1295 WeakPolarHBondContact CA-OE1 3.19Å; R517-E1295 VanDerWaalsContact CB-OE1 3.31Å; R517-E1295 WeakPolarHBondContact CB-OE1 3.37Å; R517-E1295 WeakPolarHBondContact CD-OE1 3.32Å; S518-E1295 WeakPolarHBondContact CA-OE2 2.99Å; S518-E1295 VanDerWaalsContact CB-OE2 3.24Å; S518-E1295 WeakPolarHBondContact CB-OE2 3.46Å; S518-E1295 PolarHBondContact N-OE1 3.15Å; S518-E1295 PolarHBondContact N-OE2 3.47Å; S518-E1295 PolarHBondContact OG-OE2 2.92Å; E1291-E1295 WeakPolarHBondContact O-CB 3.38Å; E1291-E1295 PolarHBondContact O-N 2.87Å; E1295-L1298 CarbonylContact O-C 3.54Å; E1295-L1298 PolarHBondContact O-N 3.11Å; E1295-K1299 PolarHBondContact O-N 3.34Å
1296R83.3Confident80.2Confident49 Ų4938.4 Ų38.419%0.18520%0.195CC..Hα-helixtrans-61.9-46.1175.7-171.8176.5-159.5109.229.1112.1N1214 I1216 D1218 W1292 V1293 K1299 S1300N1214-R1296 PolarHBondContact O-NH1 3.31Å; I1216-R1296 PolarHBondContact O-NE 3.47Å; I1216-R1296 PolarHBondContact O-NH1 3.28Å; I1216-R1296 PolarHBondContact O-NH2 3.04Å; D1218-R1296 IonicContact OD1-CZ 3.43Å; D1218-R1296 VanDerWaalsContact OD1-CZ 3.23Å; D1218-R1296 IonicContact OD1-NE 2.73Å; D1218-R1296 PolarHBondContact OD1-NE 2.9Å; D1218-R1296 IonicContact OD1-NH2 3.55Å; D1218-R1296 PolarHBondContact OD1-NH2 2.58Å; W1292-R1296 WeakPolarHBondContact O-CB 3.37Å; W1292-R1296 PolarHBondContact O-N 2.94Å; V1293-R1296 PolarHBondContact O-N 3.26Å; R1296-K1299 PolarHBondContact O-N 3.37Å; R1296-K1299 VanDerWaalsContact O-N 3.09Å; R1296-S1300 PolarHBondContact O-N 2.95Å; R1296-S1300 VanDerWaalsContact O-N 3.11Å
1297C85.9Confident79.3Confident1 Ų139.9 Ų39.91%0.00720%0.202CC..Hα-helixtrans-63.7-41.8176.2-66.90000111.9F1222 V1293 G1294 K1299 L1301 I1325F1222-C1297 HydrophobicContact CE1-CB 4.15Å; F1222-C1297 HydrophobicContact CE2-CB 4.31Å; F1222-C1297 HydrophobicContact CZ-CB 3.55Å; V1293-C1297 WeakPolarHBondContact O-CB 3.44Å; V1293-C1297 PolarHBondContact O-N 3.23Å; V1293-C1297 PolarHBondContact O-SG 3.46Å; G1294-C1297 PolarHBondContact O-N 3.11Å; C1297-K1299 PolarHBondContact O-N 3.4Å; C1297-L1301 WeakPolarHBondContact O-CB 3.42Å; C1297-L1301 WeakPolarHBondContact O-CD1 3.37Å; C1297-L1301 WeakPolarHBondContact O-CG 3.48Å; C1297-L1301 PolarHBondContact O-N 3.26Å; C1297-I1325 HydrophobicContact CB-CD1 4.35Å; C1297-I1325 HydrophobicContact CB-CG2 3.61Å
1298L81.3Confident78.3Confident12 Ų1239.9 Ų39.96%0.06320%0.202CC..Hα-helixtrans-66.5-21174.2-71.2170.7000112.9G1294 E1295 C1302 R1358 Q1359 L1362G1294-L1298 WeakPolarHBondContact O-CB 3.26Å; G1294-L1298 WeakPolarHBondContact O-CG 3.41Å; G1294-L1298 PolarHBondContact O-N 2.92Å; E1295-L1298 CarbonylContact O-C 3.54Å; E1295-L1298 PolarHBondContact O-N 3.11Å; L1298-C1302 PolarHBondContact O-SG 3.04Å; L1298-R1358 PolarHBondContact O-NE 3.47Å; L1298-Q1359 HydrophobicContact CD1-CG 3.94Å; L1298-Q1359 HydrophobicContact CD2-CG 3.89Å; L1298-L1362 HydrophobicContact CD2-CD2 4.23Å
1299K79.8Confident77.1Confident46 Ų4643.2 Ų43.220%0.222%0.217CC..Hα-helixtrans-77.1-60.3173.1-168.1164.1-173.7175.70112.4S466 H467 E1295 R1296 C1297 L1301 C1302 E1303S466-K1299 WeakPolarHBondContact O-CE 3.44Å; S466-K1299 PolarHBondContact O-NZ 3.45Å; H467-K1299 PolarHBondContact O-NZ 3.29Å; E1295-K1299 PolarHBondContact O-N 3.34Å; R1296-K1299 PolarHBondContact O-N 3.37Å; R1296-K1299 VanDerWaalsContact O-N 3.09Å; C1297-K1299 PolarHBondContact O-N 3.4Å; K1299-L1301 VanDerWaalsContact C-N 3.29Å; K1299-L1301 PolarHBondContact O-N 2.91Å; K1299-C1302 PolarHBondContact O-N 3.03Å; K1299-C1302 VanDerWaalsContact O-N 3.14Å; K1299-E1303 WeakPolarHBondContact CE-OE1 3.39Å; K1299-E1303 PolarHBondContact O-N 2.93Å
1300S79.1Confident76.1Confident9 Ų941.3 Ų41.36%0.06321%0.209CC..Hα-helixtrans-58.6-41.6-177.394.20000111.5D1218 F1222 R1296 C1302 E1303 D1304 D1307D1218-S1300 WeakPolarHBondContact OD2-CB 3.41Å; F1222-S1300 WeakPolarHBondContact CE2-OG 3.45Å; R1296-S1300 PolarHBondContact O-N 2.95Å; R1296-S1300 VanDerWaalsContact O-N 3.11Å; S1300-C1302 VanDerWaalsContact C-N 3.26Å; S1300-C1302 PolarHBondContact O-N 3.24Å; S1300-E1303 CarbonylContact O-C 3.58Å; S1300-E1303 PolarHBondContact O-N 2.78Å; S1300-D1304 CarbonylContact O-C 3.59Å; S1300-D1304 PolarHBondContact O-N 2.96Å; S1300-D1307 PolarHBondContact OG-OD2 3.17Å
1301L76.7Confident75.3Confident2 Ų245.7 Ų45.71%0.0124%0.24CC..Hα-helixtrans-66.9-25.4-177.1-65.4169.3000113.6F1222 C1297 K1299 S1305 D1307 L1308 L1362F1222-L1301 HydrophobicContact CE1-CD1 3.78Å; F1222-L1301 HydrophobicContact CE1-CD2 4.14Å; F1222-L1301 HydrophobicContact CE1-CG 4.07Å; F1222-L1301 HydrophobicContact CE2-CG 4.39Å; F1222-L1301 HydrophobicContact CZ-CD1 3.62Å; F1222-L1301 HydrophobicContact CZ-CD2 3.95Å; F1222-L1301 HydrophobicContact CZ-CG 3.56Å; C1297-L1301 WeakPolarHBondContact O-CB 3.42Å; C1297-L1301 WeakPolarHBondContact O-CD1 3.37Å; C1297-L1301 WeakPolarHBondContact O-CG 3.48Å; C1297-L1301 PolarHBondContact O-N 3.26Å; K1299-L1301 VanDerWaalsContact C-N 3.29Å; K1299-L1301 PolarHBondContact O-N 2.91Å; L1301-S1305 VanDerWaalsContact O-CA 3.31Å; L1301-S1305 WeakPolarHBondContact O-CA 3.09Å; L1301-S1305 VanDerWaalsContact O-CB 3.27Å; L1301-S1305 WeakPolarHBondContact O-CB 3.31Å; L1301-S1305 PolarHBondContact O-N 3.5Å; L1301-D1307 HydrophobicContact CD2-CB 3.96Å; L1301-L1308 HydrophobicContact CD1-CD1 3.57Å; L1301-L1308 HydrophobicContact CD1-CG 4.27Å; L1301-L1308 HydrophobicContact CD2-CB 4.19Å; L1301-L1308 HydrophobicContact CD2-CD1 3.9Å; L1301-L1308 HydrophobicContact CD2-CG 3.85Å; L1301-L1308 HydrophobicContact CG-CD1 4.42Å; L1301-L1362 HydrophobicContact CB-CD1 3.72Å; L1301-L1362 HydrophobicContact CB-CD2 3.73Å; L1301-L1362 HydrophobicContact CB-CG 4.27Å; L1301-L1362 HydrophobicContact CD1-CD2 3.79Å; L1301-L1362 HydrophobicContact CG-CD2 4.41Å; L1301-L1362 WeakPolarHBondContact O-CD1 3.3Å
1302C67.9Low74.9Confident57 Ų5744.2 Ų44.239%0.38524%0.238SC..Hα-helixtrans-75.4-26.9172.7-80.30000113L1298 K1299 S1300 R1358L1298-C1302 PolarHBondContact O-SG 3.04Å; K1299-C1302 PolarHBondContact O-N 3.03Å; K1299-C1302 VanDerWaalsContact O-N 3.14Å; S1300-C1302 VanDerWaalsContact C-N 3.26Å; S1300-C1302 PolarHBondContact O-N 3.24Å; C1302-R1358 WeakPolarHBondContact SG-CG 3.23Å; C1302-R1358 PolarHBondContact SG-NE 2.9Å; C1302-R1358 VanDerWaalsContact SG-NE 3.42Å
1303E69.3Low74.7Confident128 Ų12843.8 Ų43.860%0.59824%0.237SC*.Hα-helixtrans-88-52.3178-65176.7-15800110.2K1299 S1300K1299-E1303 WeakPolarHBondContact CE-OE1 3.39Å; K1299-E1303 PolarHBondContact O-N 2.93Å; S1300-E1303 CarbonylContact O-C 3.58Å; S1300-E1303 PolarHBondContact O-N 2.78Å
1304D66.7Low74.3Confident97 Ų9746.5 Ų46.552%0.51926%0.257SS..  trans-135.379.6-179.3-114.5-49.6000111.5S1300 N1306S1300-D1304 CarbonylContact O-C 3.59Å; S1300-D1304 PolarHBondContact O-N 2.96Å; D1304-N1306 PolarHBondContact O-N 3.05Å; D1304-N1306 PolarHBondContact OD1-ND2 3.19Å
1305S60.3Low73.9Confident15 Ų1548 Ų4811%0.10527%0.265CS..THydrogen-bonded Turntrans-5811.5175.843.80000116.4L1301 Q1309 K1369L1301-S1305 VanDerWaalsContact O-CA 3.31Å; L1301-S1305 WeakPolarHBondContact O-CA 3.09Å; L1301-S1305 VanDerWaalsContact O-CB 3.27Å; L1301-S1305 WeakPolarHBondContact O-CB 3.31Å; L1301-S1305 PolarHBondContact O-N 3.5Å; S1305-Q1309 PolarHBondContact O-NE2 3.22Å; S1305-K1369 PolarHBondContact OG-NZ 2.84Å
1306N69.2Low73.7Confident81 Ų8148.3 Ų48.343%0.43328%0.276SS..THydrogen-bonded Turntrans-81.5-20.9178.5-60.2-38.8000113D1304 L1308 Q1309D1304-N1306 PolarHBondContact O-N 3.05Å; D1304-N1306 PolarHBondContact OD1-ND2 3.19Å; N1306-L1308 PolarHBondContact O-N 2.86Å; N1306-L1308 VanDerWaalsContact O-N 3.14Å; N1306-Q1309 PolarHBondContact O-N 3.06Å; N1306-Q1309 PolarHBondContact OD1-NE2 3.48Å
1307D70.9Confident73.7Confident48 Ų4847.9 Ų47.926%0.25728%0.276SS..THydrogen-bonded Turntrans-57.1-31.9-179.1-67.4-26.6000113.6F1222 K1226 S1300 L1301F1222-D1307 HydrophobicContact CD1-CB 4.41Å; F1222-D1307 HydrophobicContact CD2-CB 3.92Å; F1222-D1307 HydrophobicContact CE2-CB 4.26Å; F1222-D1307 HydrophobicContact CG-CB 4.03Å; K1226-D1307 WeakPolarHBondContact CE-O 3.32Å; K1226-D1307 PolarHBondContact NZ-O 3.38Å; S1300-D1307 PolarHBondContact OG-OD2 3.17Å; L1301-D1307 HydrophobicContact CD2-CB 3.96Å
1308L70.7Confident73.4Confident2 Ų247.8 Ų47.81%0.0128%0.276CS..THydrogen-bonded Turntrans-95.76.3176.2-78.2176.4000115F1222 L1301 N1306 L1321 M1322 L1366 Q1370F1222-L1308 HydrophobicContact CD1-CD2 4.25Å; F1222-L1308 HydrophobicContact CD1-CG 4.36Å; F1222-L1308 HydrophobicContact CE1-CD2 4.35Å; F1222-L1308 HydrophobicContact CE1-CG 4.15Å; L1301-L1308 HydrophobicContact CD1-CD1 3.57Å; L1301-L1308 HydrophobicContact CD1-CG 4.27Å; L1301-L1308 HydrophobicContact CD2-CB 4.19Å; L1301-L1308 HydrophobicContact CD2-CD1 3.9Å; L1301-L1308 HydrophobicContact CD2-CG 3.85Å; L1301-L1308 HydrophobicContact CG-CD1 4.42Å; N1306-L1308 PolarHBondContact O-N 2.86Å; N1306-L1308 VanDerWaalsContact O-N 3.14Å; L1308-L1321 HydrophobicContact CD2-CD2 3.81Å; L1308-L1321 HydrophobicContact CD2-CG 4.29Å; L1308-M1322 HydrophobicContact CD1-CB 4.08Å; L1308-M1322 HydrophobicContact CD1-CG 4.49Å; L1308-L1366 HydrophobicContact CB-CD1 3.9Å; L1308-L1366 HydrophobicContact CB-CD2 4.46Å; L1308-L1366 HydrophobicContact CD1-CD2 4.31Å; L1308-Q1370 PolarHBondContact O-NE2 3.3Å
1309Q64.8Low73.2Confident72 Ų7248.6 Ų48.634%0.33628%0.279SS..  trans-102.112177.1-69.1172.577.700113S1305 N1306 K1369S1305-Q1309 PolarHBondContact O-NE2 3.22Å; N1306-Q1309 PolarHBondContact O-N 3.06Å; N1306-Q1309 PolarHBondContact OD1-NE2 3.48Å; Q1309-K1369 VanDerWaalsContact NE2-CD 3.34Å
1310D66.9Low73.4Confident29 Ų2951.7 Ų51.716%0.15529%0.29CS..  trans-63.6126.9176.7-172.3-18000111.2K1226 V1312 L1313 Y2190K1226-D1310 VanDerWaalsContact NZ-CB 3.31Å; K1226-D1310 IonicContact NZ-OD2 3.53Å; K1226-D1310 PolarHBondContact NZ-OD2 2.96Å; D1310-V1312 PolarHBondContact O-N 3Å; D1310-V1312 WeakPolarHBondContact OD1-CG2 3.45Å; D1310-V1312 PolarHBondContact OD1-N 3.3Å; D1310-L1313 PolarHBondContact O-N 3.31Å; D1310-Y2190 PolarHBondContact OD2-OH 3.13Å
1311P68.6Low73.7Confident126 Ų12651.2 Ų51.282%0.81829%0.287SS*.THydrogen-bonded Turntrans-61.7-5.8-175.925-36.2000115.6L1313P1311-L1313 PolarHBondContact O-N 3.34Å
1312V74.5Confident73.9Confident69 Ų6951.2 Ų51.242%0.41829%0.286SS..THydrogen-bonded Turntrans-62.3-28.1168.6175.80000112.5V1230 D1310V1230-V1312 HydrophobicContact CG2-CG1 4.14Å; D1310-V1312 PolarHBondContact O-N 3Å; D1310-V1312 WeakPolarHBondContact OD1-CG2 3.45Å; D1310-V1312 PolarHBondContact OD1-N 3.3Å
1313L78.7Confident74.6Confident16 Ų1650.6 Ų50.68%0.08428%0.278CS..SBendtrans-109134.8176.2-64.6-178.6000111.6K1226 F1229 V1230 D1310 P1311 Q1317 A1318 L1321K1226-L1313 HydrophobicContact CG-CD1 3.94Å; K1226-L1313 HydrophobicContact CG-CG 4.26Å; F1229-L1313 HydrophobicContact CD1-CD2 4.14Å; V1230-L1313 HydrophobicContact CG2-CD2 3.64Å; D1310-L1313 PolarHBondContact O-N 3.31Å; P1311-L1313 PolarHBondContact O-N 3.34Å; L1313-Q1317 HydrophobicContact CB-CB 4.46Å; L1313-Q1317 HydrophobicContact CD2-CB 4.25Å; L1313-A1318 HydrophobicContact CB-CB 4.12Å; L1313-A1318 HydrophobicContact CD1-CB 4.12Å; L1313-L1321 HydrophobicContact CD1-CD2 3.84Å
1314S80.5Confident75.2Confident59 Ų5946.3 Ų46.341%0.41326%0.259SS..  trans-69.5157.9162.869.40000111A1316 Q1317 A1318S1314-A1316 VanDerWaalsContact C-N 3.29Å; S1314-A1316 PolarHBondContact O-N 2.86Å; S1314-Q1317 WeakPolarHBondContact O-CB 3.46Å; S1314-Q1317 PolarHBondContact O-N 3.26Å; S1314-Q1317 VanDerWaalsContact OG-CG 3.23Å; S1314-Q1317 WeakPolarHBondContact OG-CG 3.18Å; S1314-Q1317 PolarHBondContact OG-OE1 3.02Å; S1314-A1318 PolarHBondContact O-N 3.01Å
1315S75.3Confident76.1Confident40 Ų4041.9 Ų41.928%0.2824%0.235SC..Hα-helixtrans-56.2-41.1-178.8176.30000113Q1317 A1318 Q1319 Q1370S1315-Q1317 VanDerWaalsContact C-N 3.31Å; S1315-Q1317 PolarHBondContact O-N 2.87Å; S1315-A1318 PolarHBondContact O-N 3.38Å; S1315-Q1319 WeakPolarHBondContact O-CB 3.47Å; S1315-Q1319 VanDerWaalsContact O-CG 3.31Å; S1315-Q1319 WeakPolarHBondContact O-CG 3.49Å; S1315-Q1319 PolarHBondContact O-N 3.44Å; S1315-Q1319 PolarHBondContact OG-NE2 3.08Å; S1315-Q1370 PolarHBondContact O-OE1 2.94Å; S1315-Q1370 VanDerWaalsContact OG-CB 3.26Å; S1315-Q1370 WeakPolarHBondContact OG-CB 3.48Å; S1315-Q1370 PolarHBondContact OG-OE1 2.91Å
1316A77.2Confident76.9Confident56 Ų5641.5 Ų41.546%0.46323%0.232SC..Hα-helixtrans-61-40.7177.500000111.9S1314 R1320S1314-A1316 VanDerWaalsContact C-N 3.29Å; S1314-A1316 PolarHBondContact O-N 2.86Å; A1316-R1320 WeakPolarHBondContact O-CG 3.41Å; A1316-R1320 PolarHBondContact O-N 2.83Å
1317Q82.3Confident77.3Confident40 Ų4039.5 Ų39.519%0.18722%0.219CC..Hα-helixtrans-69.9-46.2178.6-66.5171.1-49.500111.7F1229 D1233 L1313 S1314 S1315 Q1319 R1320 L1321F1229-Q1317 HydrophobicContact CD1-CB 4.2Å; F1229-Q1317 HydrophobicContact CE1-CB 3.49Å; F1229-Q1317 VanDerWaalsContact CE1-CB 3.49Å; F1229-Q1317 HydrophobicContact CE1-CG 3.69Å; F1229-Q1317 HydrophobicContact CZ-CB 4Å; F1229-Q1317 HydrophobicContact CZ-CG 4.33Å; D1233-Q1317 WeakPolarHBondContact OD2-CG 3.19Å; D1233-Q1317 PolarHBondContact OD2-NE2 3.4Å; L1313-Q1317 HydrophobicContact CB-CB 4.46Å; L1313-Q1317 HydrophobicContact CD2-CB 4.25Å; S1314-Q1317 WeakPolarHBondContact O-CB 3.46Å; S1314-Q1317 PolarHBondContact O-N 3.26Å; S1314-Q1317 VanDerWaalsContact OG-CG 3.23Å; S1314-Q1317 WeakPolarHBondContact OG-CG 3.18Å; S1314-Q1317 PolarHBondContact OG-OE1 3.02Å; S1315-Q1317 VanDerWaalsContact C-N 3.31Å; S1315-Q1317 PolarHBondContact O-N 2.87Å; Q1317-Q1319 VanDerWaalsContact C-N 3.29Å; Q1317-Q1319 PolarHBondContact O-N 3.06Å; Q1317-R1320 PolarHBondContact O-N 3.5Å; Q1317-R1320 VanDerWaalsContact O-N 3.16Å; Q1317-L1321 PolarHBondContact O-N 3.34Å
1318A81.3Confident77.4Confident0 Ų038.1 Ų38.10%021%0.213CC..Hα-helixtrans-62-35.4175.800000112.5L1313 S1314 S1315 M1322L1313-A1318 HydrophobicContact CB-CB 4.12Å; L1313-A1318 HydrophobicContact CD1-CB 4.12Å; S1314-A1318 PolarHBondContact O-N 3.01Å; S1315-A1318 PolarHBondContact O-N 3.38Å; A1318-M1322 WeakPolarHBondContact O-CB 3.48Å; A1318-M1322 PolarHBondContact O-N 2.85Å
1319Q77.5Confident77.4Confident28 Ų2845 Ų4513%0.13124%0.244CC..Hα-helixtrans-68.5-38.4172.6-75-177.730.600113.3S1315 Q1317 Q1323S1315-Q1319 WeakPolarHBondContact O-CB 3.47Å; S1315-Q1319 VanDerWaalsContact O-CG 3.31Å; S1315-Q1319 WeakPolarHBondContact O-CG 3.49Å; S1315-Q1319 PolarHBondContact O-N 3.44Å; S1315-Q1319 PolarHBondContact OG-NE2 3.08Å; Q1317-Q1319 VanDerWaalsContact C-N 3.29Å; Q1317-Q1319 PolarHBondContact O-N 3.06Å; Q1319-Q1323 PolarHBondContact O-N 3.36Å
1320R82.3Confident77.4Confident111 Ų11147.7 Ų47.742%0.41925%0.251SS..Hα-helixtrans-64.6-44.8172.5-73.5174.6-172.4164.45.9111.2F1229 D1233 A1316 Q1317 Q1323 L1324F1229-R1320 HydrophobicContact CE2-CB 3.77Å; F1229-R1320 HydrophobicContact CZ-CB 3.78Å; D1233-R1320 IonicContact OD1-NH1 3.74Å; D1233-R1320 PolarHBondContact OD1-NH1 3.26Å; D1233-R1320 IonicContact OD2-NH1 2.74Å; D1233-R1320 PolarHBondContact OD2-NH1 3.03Å; A1316-R1320 WeakPolarHBondContact O-CG 3.41Å; A1316-R1320 PolarHBondContact O-N 2.83Å; Q1317-R1320 PolarHBondContact O-N 3.5Å; Q1317-R1320 VanDerWaalsContact O-N 3.16Å; R1320-Q1323 PolarHBondContact O-N 3.04Å; R1320-L1324 PolarHBondContact O-N 3.07Å
1321L85.9Confident76.5Confident0 Ų052.4 Ų52.40%028%0.276CS..Hα-helixtrans-62.1-44.317817955.7000111.4L1225 F1229 L1284 L1308 L1313 Q1317 Q1323 L1324 I1325L1225-L1321 HydrophobicContact CB-CD1 4.22Å; L1225-L1321 HydrophobicContact CB-CD2 4.34Å; F1229-L1321 HydrophobicContact CD2-CB 3.71Å; F1229-L1321 HydrophobicContact CD2-CD1 4.05Å; F1229-L1321 HydrophobicContact CD2-CG 4.33Å; F1229-L1321 HydrophobicContact CE2-CB 4.01Å; F1229-L1321 HydrophobicContact CG-CB 4.43Å; L1284-L1321 HydrophobicContact CD1-CD1 4.04Å; L1284-L1321 HydrophobicContact CD2-CD1 4.37Å; L1308-L1321 HydrophobicContact CD2-CD2 3.81Å; L1308-L1321 HydrophobicContact CD2-CG 4.29Å; L1313-L1321 HydrophobicContact CD1-CD2 3.84Å; Q1317-L1321 PolarHBondContact O-N 3.34Å; L1321-Q1323 VanDerWaalsContact C-N 3.35Å; L1321-Q1323 PolarHBondContact O-N 2.61Å; L1321-L1324 WeakPolarHBondContact O-CB 3.25Å; L1321-L1324 PolarHBondContact O-N 3.02Å; L1321-L1324 VanDerWaalsContact O-N 3.14Å; L1321-I1325 HydrophobicContact CD1-CD1 4.25Å; L1321-I1325 HydrophobicContact CD1-CG1 4.43Å; L1321-I1325 HydrophobicContact CG-CD1 4.09Å; L1321-I1325 WeakPolarHBondContact O-CG1 2.96Å; L1321-I1325 PolarHBondContact O-N 2.93Å
1322M81.8Confident75.5Confident1 Ų152.4 Ų52.41%0.00527%0.268CS..Hα-helixtrans-60-41.5173.6-178.5-18053.300112.2L1308 A1318 L1324 I1325 C1326 L1362 E1363 L1366L1308-M1322 HydrophobicContact CD1-CB 4.08Å; L1308-M1322 HydrophobicContact CD1-CG 4.49Å; A1318-M1322 WeakPolarHBondContact O-CB 3.48Å; A1318-M1322 PolarHBondContact O-N 2.85Å; M1322-L1324 VanDerWaalsContact C-N 3.33Å; M1322-L1324 PolarHBondContact O-N 2.94Å; M1322-I1325 PolarHBondContact O-N 3.3Å; M1322-C1326 WeakPolarHBondContact O-CB 3.45Å; M1322-C1326 PolarHBondContact O-N 3.46Å; M1322-C1326 PolarHBondContact O-SG 3.37Å; M1322-L1362 HydrophobicContact CG-CD2 4.44Å; M1322-L1362 HydrophobicContact SD-CD2 4.29Å; M1322-L1362 HydrophobicContact SD-CG 4.47Å; M1322-E1363 HydrophobicContact CE-CB 4.05Å; M1322-E1363 HydrophobicContact CE-CG 3.8Å; M1322-E1363 HydrophobicContact SD-CB 4.35Å; M1322-L1366 HydrophobicContact CB-CD2 4.22Å; M1322-L1366 HydrophobicContact CE-CB 3.8Å; M1322-L1366 HydrophobicContact CE-CD2 3.55Å; M1322-L1366 HydrophobicContact CE-CG 4.29Å; M1322-L1366 HydrophobicContact SD-CB 3.61Å; M1322-L1366 HydrophobicContact SD-CD2 3.58Å; M1322-L1366 VanDerWaalsContact SD-CD2 3.58Å; M1322-L1366 HydrophobicContact SD-CG 4.14Å
1323Q81.1Confident74Confident45 Ų4554.5 Ų54.521%0.2128%0.277CS..Hα-helixtrans-64.5-35.9173.6-82.8-170.2-25.300113Q1319 R1320 L1321 I1325 Y1327 E1363Q1319-Q1323 PolarHBondContact O-N 3.36Å; R1320-Q1323 PolarHBondContact O-N 3.04Å; L1321-Q1323 VanDerWaalsContact C-N 3.35Å; L1321-Q1323 PolarHBondContact O-N 2.61Å; Q1323-I1325 VanDerWaalsContact C-N 3.33Å; Q1323-Y1327 CarbonylContact O-C 3.57Å; Q1323-Y1327 WeakPolarHBondContact O-CA 3.39Å; Q1323-Y1327 PolarHBondContact O-N 2.78Å; Q1323-E1363 WeakPolarHBondContact CG-OE1 3.42Å; Q1323-E1363 PolarHBondContact NE2-OE1 3.08Å
1324L83.4Confident72.2Confident38 Ų3858 Ų5820%0.19930%0.303CS..Hα-helixtrans-63.7-35.8172.4-99.3146.3000112.5F1229 L1284 R1285 C1288 R1320 L1321 M1322 P1328F1229-L1324 HydrophobicContact CE2-CD1 4.46Å; L1284-L1324 HydrophobicContact CD2-CD1 3.89Å; R1285-L1324 HydrophobicContact CB-CD2 4.09Å; R1285-L1324 HydrophobicContact CG-CD2 4.5Å; C1288-L1324 WeakPolarHBondContact CB-O 3.31Å; R1320-L1324 PolarHBondContact O-N 3.07Å; L1321-L1324 WeakPolarHBondContact O-CB 3.25Å; L1321-L1324 PolarHBondContact O-N 3.02Å; L1321-L1324 VanDerWaalsContact O-N 3.14Å; M1322-L1324 VanDerWaalsContact C-N 3.33Å; M1322-L1324 PolarHBondContact O-N 2.94Å; L1324-P1328 VanDerWaalsContact O-CA 3.3Å; L1324-P1328 WeakPolarHBondContact O-CA 3.44Å; L1324-P1328 VanDerWaalsContact O-CB 3.32Å; L1324-P1328 WeakPolarHBondContact O-CB 3.33Å
1325I83.9Confident70.6Confident4 Ų460 Ų602%0.02131%0.306CS..Hα-helixtrans-74.5-44.1175.6-66.4164.5000111.5F1222 L1225 C1297 L1321 M1322 Q1323F1222-I1325 HydrophobicContact CE1-CD1 4.13Å; L1225-I1325 HydrophobicContact CD1-CD1 4.03Å; L1225-I1325 HydrophobicContact CD1-CG1 4.3Å; C1297-I1325 HydrophobicContact CB-CD1 4.35Å; C1297-I1325 HydrophobicContact CB-CG2 3.61Å; L1321-I1325 HydrophobicContact CD1-CD1 4.25Å; L1321-I1325 HydrophobicContact CD1-CG1 4.43Å; L1321-I1325 HydrophobicContact CG-CD1 4.09Å; L1321-I1325 WeakPolarHBondContact O-CG1 2.96Å; L1321-I1325 PolarHBondContact O-N 2.93Å; M1322-I1325 PolarHBondContact O-N 3.3Å; Q1323-I1325 VanDerWaalsContact C-N 3.33Å
1326C78.2Confident69.1Low6 Ų664.3 Ų64.34%0.04133%0.326CS..Hα-helixtrans-74.8-35.9-178.4-660000113.3M1322 P1328 Q1359M1322-C1326 WeakPolarHBondContact O-CB 3.45Å; M1322-C1326 PolarHBondContact O-N 3.46Å; M1322-C1326 PolarHBondContact O-SG 3.37Å; C1326-P1328 VanDerWaalsContact C-CD 3.5Å; C1326-Q1359 HydrophobicContact CB-CB 4.21Å; C1326-Q1359 HydrophobicContact CB-CG 4.26Å; C1326-Q1359 PolarHBondContact O-NE2 3.15Å
1327Y78.4Confident68Low40 Ų4063.6 Ų63.616%0.15732%0.324CS..  trans-135.354.8-170.8-54.1-61.2000113Q1323 H1329 R1330Q1323-Y1327 CarbonylContact O-C 3.57Å; Q1323-Y1327 WeakPolarHBondContact O-CA 3.39Å; Q1323-Y1327 PolarHBondContact O-N 2.78Å; Y1327-H1329 PolarHBondContact O-N 3.2Å; Y1327-R1330 PolarHBondContact O-N 3.49Å
1328P72.2Confident66.8Low18 Ų1871.8 Ų71.812%0.11736%0.362CS..THydrogen-bonded Turntrans-61-13-171.323.9-35.6000116C1288 Q1289 L1324 C1326C1288-P1328 HydrophobicContact CB-CB 4.22Å; C1288-P1328 WeakPolarHBondContact O-CB 3.24Å; C1288-P1328 WeakPolarHBondContact O-CG 3.26Å; Q1289-P1328 HydrophobicContact CG-CB 3.74Å; Q1289-P1328 PolarHBondContact NE2-O 2.66Å; L1324-P1328 VanDerWaalsContact O-CA 3.3Å; L1324-P1328 WeakPolarHBondContact O-CA 3.44Å; L1324-P1328 VanDerWaalsContact O-CB 3.32Å; L1324-P1328 WeakPolarHBondContact O-CB 3.33Å; C1326-P1328 VanDerWaalsContact C-CD 3.5Å
1329H69.5Low66.6Low146 Ų14674.3 Ų74.368%0.67638%0.376SS*.THydrogen-bonded Turntrans-101.1-9.4177.3-52-76000114.2Y1327Y1327-H1329 PolarHBondContact O-N 3.2Å
1330R65.4Low66.7Low129 Ų12975.4 Ų75.449%0.48739%0.386SS..  trans-79.3138.4175.4-71.1-171.4176.6-175.3-2.3110.1R1285 Y1327R1285-R1330 PolarHBondContact NH2-O 2.97Å; Y1327-R1330 PolarHBondContact O-N 3.49Å
1331L47.9Very low66.7Low129 Ų12973 Ų7368%0.67538%0.379SS*.  trans-76.5158155.9-77.991.2000108.5D1333L1331-D1333 PolarHBondContact O-N 3.43Å; L1331-D1333 VanDerWaalsContact O-N 3.15Å
1332L47.6Very low66.7Low125 Ų12575.9 Ų75.965%0.65439%0.39SS*.  trans-81.491.9177-65.2171.7000108.3
1333D43Very low66.8Low114 Ų11479.2 Ų79.261%0.6141%0.405SS*.  trans-63.2132.5174.9-54.3-47.3000110.3L1331 R1347L1331-D1333 PolarHBondContact O-N 3.43Å; L1331-D1333 VanDerWaalsContact O-N 3.15Å; D1333-R1347 PolarHBondContact O-NH1 2.99Å
1334S41.7Very low66.9Low89 Ų8978.2 Ų78.262%0.62240%0.4SS*.  trans-48.6147.3-169.1-53.70000114.9D1336 R1347S1334-D1336 VanDerWaalsContact C-N 3.33Å; S1334-D1336 WeakPolarHBondContact CB-OD2 3.29Å; S1334-D1336 PolarHBondContact O-N 3.09Å; S1334-R1347 PolarHBondContact O-NH2 3.35Å; S1334-R1347 VanDerWaalsContact O-NH2 3.15Å
1335E47.2Very low67.1Low102 Ų10276.4 Ų76.448%0.47739%0.39SS..  trans-9636-178.2-66.8-154.4116.100113.1G1337 P1340E1335-G1337 PolarHBondContact O-N 3.24Å; E1335-P1340 HydrophobicContact CB-CB 3.92Å
1336D42.5Very low67.3Low129 Ų12978.6 Ų78.669%0.6940%0.4SS*.  trans-73.6114.9-177.2-64.9-62.3000112.4S1334 Q1343S1334-D1336 VanDerWaalsContact C-N 3.33Å; S1334-D1336 WeakPolarHBondContact CB-OD2 3.29Å; S1334-D1336 PolarHBondContact O-N 3.09Å; D1336-Q1343 PolarHBondContact O-NE2 3Å
1337G55.6Low67.6Low42 Ų4282.3 Ų82.343%0.43341%0.413SS..SBendtrans152.315917300000113.8E1335 N1339E1335-G1337 PolarHBondContact O-N 3.24Å; G1337-N1339 PolarHBondContact O-N 3.25Å
1338E56.3Low68Low211 Ų21180.8 Ų80.899%0.98641%0.407SS*.SBendtrans-58.5-12.5-167.3-61-172.9128.900116.8
1339N78Confident68.7Low54 Ų5480 Ų8029%0.28940%0.402SS..  trans-152.491.6173.8-176.1-24000110.3G1337 Q1341 R1342 Q1343 N1382G1337-N1339 PolarHBondContact O-N 3.25Å; N1339-Q1341 PolarHBondContact O-N 3.43Å; N1339-Q1341 PolarHBondContact OD1-N 2.83Å; N1339-R1342 HydrophobicContact CB-CB 4.1Å; N1339-R1342 VanDerWaalsContact CG-CB 3.43Å; N1339-R1342 PolarHBondContact O-N 3.27Å; N1339-R1342 WeakPolarHBondContact OD1-CB 3.23Å; N1339-R1342 PolarHBondContact OD1-N 3.41Å; N1339-Q1343 PolarHBondContact O-N 3.03Å; N1339-N1382 PolarHBondContact ND2-ND2 3.02Å; N1339-N1382 PolarHBondContact ND2-OD1 3.5Å
1340P78.5Confident69.4Low51 Ų5180.3 Ų80.333%0.33140%0.401SS..Hα-helixtrans-66.6-38-175.325.5-34.4000112.3E1335 R1342 Q1343 R1344E1335-P1340 HydrophobicContact CB-CB 3.92Å; P1340-R1342 VanDerWaalsContact C-N 3.32Å; P1340-R1342 PolarHBondContact O-N 3.11Å; P1340-Q1343 WeakPolarHBondContact O-CB 3.48Å; P1340-Q1343 PolarHBondContact O-N 2.96Å; P1340-R1344 WeakPolarHBondContact O-CB 3.48Å; P1340-R1344 PolarHBondContact O-N 2.99Å
1341Q82.8Confident70.1Confident59 Ų5977.6 Ų77.628%0.27640%0.397SS..Hα-helixtrans-55.6-46174.7-174.8-17181.400111.5N1339 R1344 I1345 M1367 L1379 N1382N1339-Q1341 PolarHBondContact O-N 3.43Å; N1339-Q1341 PolarHBondContact OD1-N 2.83Å; Q1341-R1344 PolarHBondContact O-N 3.22Å; Q1341-I1345 HydrophobicContact CG-CD1 4.22Å; Q1341-I1345 WeakPolarHBondContact O-CD1 3.25Å; Q1341-I1345 VanDerWaalsContact O-CG1 3.29Å; Q1341-I1345 WeakPolarHBondContact O-CG1 3.44Å; Q1341-I1345 PolarHBondContact O-N 3.37Å; Q1341-M1367 HydrophobicContact CG-SD 4.05Å; Q1341-L1379 HydrophobicContact CG-CD1 4.14Å; Q1341-N1382 PolarHBondContact OE1-ND2 3.24Å
1342R86Confident71.8Confident61 Ų6171.8 Ų71.823%0.2337%0.366CS..Hα-helixtrans-70.1-37.5178.4-169.8175.5-177.6-103.4-0.7112.5N1339 P1340 K1346 N1382 K1385 A1386 E1389N1339-R1342 HydrophobicContact CB-CB 4.1Å; N1339-R1342 VanDerWaalsContact CG-CB 3.43Å; N1339-R1342 PolarHBondContact O-N 3.27Å; N1339-R1342 WeakPolarHBondContact OD1-CB 3.23Å; N1339-R1342 PolarHBondContact OD1-N 3.41Å; P1340-R1342 VanDerWaalsContact C-N 3.32Å; P1340-R1342 PolarHBondContact O-N 3.11Å; R1342-K1346 WeakPolarHBondContact O-CB 3.39Å; R1342-K1346 PolarHBondContact O-N 3.07Å; R1342-N1382 HydrophobicContact CB-CB 4.39Å; R1342-K1385 PolarHBondContact NH2-O 2.64Å; R1342-A1386 HydrophobicContact CG-CB 4.39Å; R1342-E1389 IonicContact CZ-OE1 3.9Å; R1342-E1389 IonicContact NH1-OE1 3.96Å; R1342-E1389 PolarHBondContact NH1-OE1 3.37Å; R1342-E1389 IonicContact NH1-OE2 3.01Å; R1342-E1389 IonicContact NH2-OE1 2.7Å; R1342-E1389 PolarHBondContact NH2-OE1 3.12Å; R1342-E1389 IonicContact NH2-OE2 2.8Å
1343Q84.2Confident73.6Confident71 Ų7168.6 Ų68.633%0.33235%0.35SS..Hα-helixtrans-59.8-47.2170.7-79-161.116.300111.5D1336 N1339 P1340 I1345 K1346 R1347D1336-Q1343 PolarHBondContact O-NE2 3Å; N1339-Q1343 PolarHBondContact O-N 3.03Å; P1340-Q1343 WeakPolarHBondContact O-CB 3.48Å; P1340-Q1343 PolarHBondContact O-N 2.96Å; Q1343-I1345 PolarHBondContact O-N 2.91Å; Q1343-K1346 CarbonylContact O-C 3.54Å; Q1343-K1346 WeakPolarHBondContact O-CA 3.38Å; Q1343-K1346 WeakPolarHBondContact O-CB 3.4Å; Q1343-K1346 PolarHBondContact O-N 3.2Å; Q1343-K1346 VanDerWaalsContact O-N 3.09Å; Q1343-R1347 WeakPolarHBondContact O-CG 3.44Å; Q1343-R1347 PolarHBondContact O-N 3.23Å
1344R82.2Confident75.5Confident25 Ų2563.7 Ų63.79%0.09432%0.323CS..Hα-helixtrans-59.9-46.2-180-177.4173.1170.1-170.9-2.4111.5P1340 Q1341 K1346 R1347 I1348 E1363P1340-R1344 WeakPolarHBondContact O-CB 3.48Å; P1340-R1344 PolarHBondContact O-N 2.99Å; Q1341-R1344 PolarHBondContact O-N 3.22Å; R1344-K1346 VanDerWaalsContact C-N 3.3Å; R1344-K1346 PolarHBondContact O-N 3.45Å; R1344-R1347 WeakPolarHBondContact O-CB 3.33Å; R1344-R1347 PolarHBondContact O-N 3.15Å; R1344-R1347 VanDerWaalsContact O-N 3.12Å; R1344-I1348 HydrophobicContact CG-CD1 4.37Å; R1344-I1348 WeakPolarHBondContact O-CG1 3.38Å; R1344-I1348 PolarHBondContact O-N 2.88Å; R1344-E1363 IonicContact CZ-OE1 3.39Å; R1344-E1363 IonicContact NE-OE1 2.93Å; R1344-E1363 PolarHBondContact NE-OE1 3.35Å; R1344-E1363 IonicContact NH2-OE1 2.89Å; R1344-E1363 PolarHBondContact NH2-OE1 3.39Å
1345I88.6Confident77.5Confident0 Ų061 Ų610%030%0.299CS..Hα-helixtrans-57.2-44.6172.7-63.4157.4000111.2Q1341 Q1343 R1347 I1348 L1349 L1364 M1367 L1379 N1382 I1383 A1386Q1341-I1345 HydrophobicContact CG-CD1 4.22Å; Q1341-I1345 WeakPolarHBondContact O-CD1 3.25Å; Q1341-I1345 VanDerWaalsContact O-CG1 3.29Å; Q1341-I1345 WeakPolarHBondContact O-CG1 3.44Å; Q1341-I1345 PolarHBondContact O-N 3.37Å; Q1343-I1345 PolarHBondContact O-N 2.91Å; I1345-R1347 VanDerWaalsContact C-N 3.34Å; I1345-R1347 PolarHBondContact O-N 3.49Å; I1345-I1348 PolarHBondContact O-N 2.73Å; I1345-L1349 HydrophobicContact CG2-CD1 3.95Å; I1345-L1349 HydrophobicContact CG2-CG 4.26Å; I1345-L1349 WeakPolarHBondContact O-CG 3.14Å; I1345-L1349 PolarHBondContact O-N 3.03Å; I1345-L1364 HydrophobicContact CG1-CD2 4.26Å; I1345-L1364 HydrophobicContact CG2-CD2 4.28Å; I1345-M1367 HydrophobicContact CD1-CE 4.02Å; I1345-M1367 HydrophobicContact CD1-SD 4.47Å; I1345-M1367 HydrophobicContact CG1-CE 3.75Å; I1345-M1367 HydrophobicContact CG1-SD 4.31Å; I1345-L1379 HydrophobicContact CD1-CD1 3.97Å; I1345-N1382 HydrophobicContact CD1-CB 4.18Å; I1345-I1383 HydrophobicContact CD1-CG1 3.67Å; I1345-I1383 HydrophobicContact CG1-CG1 4.34Å; I1345-I1383 HydrophobicContact CG2-CG1 4.48Å; I1345-A1386 HydrophobicContact CB-CB 4.13Å; I1345-A1386 HydrophobicContact CG2-CB 3.61Å
1346K87.3Confident79.4Confident50 Ų5057 Ų5722%0.21728%0.283CS..Hα-helixtrans-64.1-36.5177.4-169.5173.8-178.5174.30112.4R1342 Q1343 R1344 K1350 E1389 Q1393R1342-K1346 WeakPolarHBondContact O-CB 3.39Å; R1342-K1346 PolarHBondContact O-N 3.07Å; Q1343-K1346 CarbonylContact O-C 3.54Å; Q1343-K1346 WeakPolarHBondContact O-CA 3.38Å; Q1343-K1346 WeakPolarHBondContact O-CB 3.4Å; Q1343-K1346 PolarHBondContact O-N 3.2Å; Q1343-K1346 VanDerWaalsContact O-N 3.09Å; R1344-K1346 VanDerWaalsContact C-N 3.3Å; R1344-K1346 PolarHBondContact O-N 3.45Å; K1346-K1350 VanDerWaalsContact O-CB 3.23Å; K1346-K1350 WeakPolarHBondContact O-CB 3.39Å; K1346-K1350 PolarHBondContact O-N 2.68Å; K1346-E1389 WeakPolarHBondContact CD-OE2 3.07Å; K1346-E1389 WeakPolarHBondContact CE-OE2 3.33Å; K1346-E1389 IonicContact NZ-OE2 3.2Å; K1346-E1389 PolarHBondContact NZ-OE2 2.79Å; K1346-Q1393 VanDerWaalsContact NZ-NE2 3.14Å
1347R85.1Confident81.4Confident83 Ų8351.6 Ų51.631%0.31325%0.253SS..Hα-helixtrans-65-40.4172.4-67.2-178.4-141.6176.20.1111.6D1333 S1334 Q1343 R1344 I1345 N1351D1333-R1347 PolarHBondContact O-NH1 2.99Å; S1334-R1347 PolarHBondContact O-NH2 3.35Å; S1334-R1347 VanDerWaalsContact O-NH2 3.15Å; Q1343-R1347 WeakPolarHBondContact O-CG 3.44Å; Q1343-R1347 PolarHBondContact O-N 3.23Å; R1344-R1347 WeakPolarHBondContact O-CB 3.33Å; R1344-R1347 PolarHBondContact O-N 3.15Å; R1344-R1347 VanDerWaalsContact O-N 3.12Å; I1345-R1347 VanDerWaalsContact C-N 3.34Å; I1345-R1347 PolarHBondContact O-N 3.49Å; R1347-N1351 WeakPolarHBondContact O-CB 3.42Å; R1347-N1351 VanDerWaalsContact O-CG 3.23Å; R1347-N1351 PolarHBondContact O-N 3.23Å; R1347-N1351 PolarHBondContact O-ND2 3.43Å
1348I86.4Confident82.7Confident9 Ų951.1 Ų51.15%0.04624%0.238CC..Hα-helixtrans-61.8-55.6175.1-64.5163.1000109.8R1344 I1345 K1350 N1351 E1363 L1364R1344-I1348 HydrophobicContact CG-CD1 4.37Å; R1344-I1348 WeakPolarHBondContact O-CG1 3.38Å; R1344-I1348 PolarHBondContact O-N 2.88Å; I1345-I1348 PolarHBondContact O-N 2.73Å; I1348-K1350 VanDerWaalsContact C-N 3.31Å; I1348-K1350 PolarHBondContact O-N 3.12Å; I1348-N1351 PolarHBondContact O-N 3.49Å; I1348-E1363 HydrophobicContact CD1-CB 4.24Å; I1348-E1363 VanDerWaalsContact CD1-CD 3.46Å; I1348-E1363 HydrophobicContact CD1-CG 3.63Å; I1348-E1363 WeakPolarHBondContact CD1-OE2 3.43Å; I1348-E1363 WeakPolarHBondContact CG1-OE2 3.49Å; I1348-L1364 HydrophobicContact CD1-CD2 4.02Å; I1348-L1364 HydrophobicContact CG2-CG 4.41Å
1349L87.6Confident84Confident2 Ų242.4 Ų42.41%0.0120%0.197CC..Hα-helixtrans-65.2-29.6-176.2-63.9178.1000113.7I1345 L1352 L1364 A1386 V1390 V1429 L1432I1345-L1349 HydrophobicContact CG2-CD1 3.95Å; I1345-L1349 HydrophobicContact CG2-CG 4.26Å; I1345-L1349 WeakPolarHBondContact O-CG 3.14Å; I1345-L1349 PolarHBondContact O-N 3.03Å; L1349-L1352 HydrophobicContact CD2-CD1 4.07Å; L1349-L1364 HydrophobicContact CD2-CD1 4.37Å; L1349-A1386 HydrophobicContact CD1-CB 4.33Å; L1349-V1390 HydrophobicContact CB-CG2 3.92Å; L1349-V1429 HydrophobicContact CD2-CG1 4.44Å; L1349-L1432 HydrophobicContact CD2-CD2 3.61Å
1350K83.2Confident84.4Confident151 Ų15139.9 Ų39.966%0.65718%0.184SC*.Hα-helixtrans-76.2-29.3176.1-171.3-179.3178-170.70113K1346 I1348 L1352K1346-K1350 VanDerWaalsContact O-CB 3.23Å; K1346-K1350 WeakPolarHBondContact O-CB 3.39Å; K1346-K1350 PolarHBondContact O-N 2.68Å; I1348-K1350 VanDerWaalsContact C-N 3.31Å; I1348-K1350 PolarHBondContact O-N 3.12Å; K1350-L1352 VanDerWaalsContact C-N 3.32Å
1351N80.1Confident84.8Confident72 Ų7238 Ų3839%0.38517%0.173SC..THydrogen-bonded Turntrans-92.217.7-178.6-68-37.6000113.2R1347 I1348 D1353 T1356R1347-N1351 WeakPolarHBondContact O-CB 3.42Å; R1347-N1351 VanDerWaalsContact O-CG 3.23Å; R1347-N1351 PolarHBondContact O-N 3.23Å; R1347-N1351 PolarHBondContact O-ND2 3.43Å; I1348-N1351 PolarHBondContact O-N 3.49Å; N1351-D1353 PolarHBondContact O-N 3.16Å; N1351-T1356 PolarHBondContact O-OG1 3.39Å
1352L84.7Confident84.8Confident8 Ų835.5 Ų35.54%0.04216%0.161CC..  trans-72122.3-179.7-81.1168.5000112.4L1349 K1350 M1357 G1425 L1428 V1429 L1432L1349-L1352 HydrophobicContact CD2-CD1 4.07Å; K1350-L1352 VanDerWaalsContact C-N 3.32Å; L1352-M1357 HydrophobicContact CD2-CG 4.33Å; L1352-M1357 HydrophobicContact CD2-SD 3.9Å; L1352-G1425 WeakPolarHBondContact O-CA 3.38Å; L1352-L1428 HydrophobicContact CB-CB 4.29Å; L1352-L1428 HydrophobicContact CB-CD1 4.33Å; L1352-L1428 HydrophobicContact CD1-CB 4.49Å; L1352-V1429 HydrophobicContact CD1-CG2 3.84Å; L1352-L1432 HydrophobicContact CD1-CD2 3.75Å; L1352-L1432 HydrophobicContact CD2-CD2 4Å; L1352-L1432 HydrophobicContact CG-CD2 4.43Å
1353D85Confident84.8Confident58 Ų5832.7 Ų32.731%0.3115%0.15SC..  trans-131.1177.6162.76823.4000110.1N1351 W1355 T1356 M1357 L1428N1351-D1353 PolarHBondContact O-N 3.16Å; D1353-W1355 PolarHBondContact O-N 2.86Å; D1353-W1355 WeakPolarHBondContact OD1-CA 3.45Å; D1353-W1355 WeakPolarHBondContact OD1-CB 2.92Å; D1353-W1355 PolarHBondContact OD1-N 3.46Å; D1353-T1356 PolarHBondContact N-OG1 2.98Å; D1353-T1356 PolarHBondContact O-OG1 3.18Å; D1353-T1356 WeakPolarHBondContact OD1-CB 3.42Å; D1353-T1356 WeakPolarHBondContact OD1-CG2 3.34Å; D1353-T1356 PolarHBondContact OD1-N 2.94Å; D1353-T1356 PolarHBondContact OD1-OG1 3.43Å; D1353-M1357 WeakPolarHBondContact O-CG 3.32Å; D1353-M1357 PolarHBondContact O-N 3.1Å; D1353-L1428 VanDerWaalsContact CA-CD1 3.43Å
1354Q82.2Confident85Confident11 Ų1129.3 Ų29.35%0.05114%0.135CC..THydrogen-bonded Turntrans-64.6-22.8-177.873.9-170.118.100113.7L458 L461 E510 R1423L458-Q1354 HydrophobicContact CD2-CB 4.46Å; L461-Q1354 HydrophobicContact CD1-CB 3.71Å; L461-Q1354 HydrophobicContact CD1-CG 3.87Å; E510-Q1354 PolarHBondContact OE2-NE2 3.46Å; Q1354-R1423 VanDerWaalsContact OE1-CZ 3.26Å; Q1354-R1423 VanDerWaalsContact OE1-NH2 3.1Å
1355W85Confident85.1Confident31 Ų3130.4 Ų30.412%0.11714%0.141CC..THydrogen-bonded Turntrans-86.5-40.1-176.5-55.4111.7000112.5L461 L507 E510 W511 K516 R517 D1353L461-W1355 HydrophobicContact CD2-CE3 4.07Å; L461-W1355 HydrophobicContact CD2-CH2 4.46Å; L461-W1355 HydrophobicContact CD2-CZ3 3.71Å; L507-W1355 HydrophobicContact CD1-CH2 4.37Å; E510-W1355 HydrophobicContact CB-CH2 4.29Å; E510-W1355 HydrophobicContact CB-CZ2 3.95Å; W511-W1355 HydrophobicContact CB-CH2 4.13Å; W511-W1355 HydrophobicContact CB-CZ3 4.44Å; K516-W1355 HydrophobicContact CB-CB 4.02Å; K516-W1355 HydrophobicContact CB-CD2 4.37Å; K516-W1355 HydrophobicContact CB-CE3 4.42Å; K516-W1355 HydrophobicContact CB-CG 4.2Å; K516-W1355 HydrophobicContact CG-CB 4.1Å; K516-W1355 HydrophobicContact CG-CG 4.13Å; R517-W1355 PolarHBondContact NH1-O 2.83Å; R517-W1355 PolarHBondContact NH2-O 3.38Å; R517-W1355 VanDerWaalsContact NH2-O 3.16Å; D1353-W1355 PolarHBondContact O-N 2.86Å; D1353-W1355 WeakPolarHBondContact OD1-CA 3.45Å; D1353-W1355 WeakPolarHBondContact OD1-CB 2.92Å; D1353-W1355 PolarHBondContact OD1-N 3.46Å
1356T85.4Confident84.7Confident20 Ų2030.7 Ų30.712%0.12314%0.142CC..THydrogen-bonded Turntrans-80.7-18.4-179.354.10000113.1N1351 D1353 R1358 Q1359 S1360N1351-T1356 PolarHBondContact O-OG1 3.39Å; D1353-T1356 PolarHBondContact N-OG1 2.98Å; D1353-T1356 PolarHBondContact O-OG1 3.18Å; D1353-T1356 WeakPolarHBondContact OD1-CB 3.42Å; D1353-T1356 WeakPolarHBondContact OD1-CG2 3.34Å; D1353-T1356 PolarHBondContact OD1-N 2.94Å; D1353-T1356 PolarHBondContact OD1-OG1 3.43Å; T1356-R1358 PolarHBondContact O-N 3.46Å; T1356-Q1359 WeakPolarHBondContact O-CA 3.33Å; T1356-Q1359 WeakPolarHBondContact O-CB 3.35Å; T1356-Q1359 PolarHBondContact O-N 3.48Å; T1356-S1360 PolarHBondContact O-N 3.36Å; T1356-S1360 PolarHBondContact O-OG 2.96Å
1357M84.5Confident84.5Confident15 Ų1528.5 Ų28.57%0.07413%0.133CC..Hα-helixtrans-44.1-42175.9-96-70.6-71.800114.1L458 L1352 D1353 S1361 L1428 P1431 L1432L458-M1357 HydrophobicContact CD2-CG 4.22Å; L1352-M1357 HydrophobicContact CD2-CG 4.33Å; L1352-M1357 HydrophobicContact CD2-SD 3.9Å; D1353-M1357 WeakPolarHBondContact O-CG 3.32Å; D1353-M1357 PolarHBondContact O-N 3.1Å; M1357-S1361 VanDerWaalsContact O-CB 3.3Å; M1357-S1361 WeakPolarHBondContact O-CB 3.45Å; M1357-S1361 PolarHBondContact O-N 3.41Å; M1357-L1428 HydrophobicContact CG-CB 4.29Å; M1357-L1428 HydrophobicContact CG-CD1 4.26Å; M1357-L1428 HydrophobicContact SD-CB 3.96Å; M1357-P1431 HydrophobicContact CE-CB 3.94Å; M1357-L1432 HydrophobicContact CE-CB 4.23Å; M1357-L1432 HydrophobicContact SD-CB 3.93Å; M1357-L1432 HydrophobicContact SD-CD1 4.21Å
1358R83.7Confident84.6Confident32 Ų3225 Ų2512%0.12112%0.12CC..Hα-helixtrans-61.2-51.7175.4-169.7-174.8-164.414217.2111.8D465 L1298 C1302 T1356 S1361 L1362D465-R1358 PolarHBondContact O-NH1 3.05Å; D465-R1358 VanDerWaalsContact O-NH1 3.07Å; D465-R1358 PolarHBondContact O-NH2 2.94Å; D465-R1358 IonicContact OD1-NH1 3.59Å; D465-R1358 WeakPolarHBondContact OD2-CD 3.2Å; D465-R1358 IonicContact OD2-CZ 3.69Å; D465-R1358 IonicContact OD2-NH1 3.35Å; D465-R1358 PolarHBondContact OD2-NH1 2.9Å; L1298-R1358 PolarHBondContact O-NE 3.47Å; C1302-R1358 WeakPolarHBondContact SG-CG 3.23Å; C1302-R1358 PolarHBondContact SG-NE 2.9Å; C1302-R1358 VanDerWaalsContact SG-NE 3.42Å; T1356-R1358 PolarHBondContact O-N 3.46Å; R1358-S1361 PolarHBondContact O-N 3.37Å; R1358-L1362 PolarHBondContact O-N 3.27Å
1359Q84.2Confident84.3Confident27 Ų2729.2 Ų29.213%0.12614%0.138CC..Hα-helixtrans-64.2-46.7-178.6-62165.2-23.500111.2L1298 C1326 T1356 S1361 L1362 E1363L1298-Q1359 HydrophobicContact CD1-CG 3.94Å; L1298-Q1359 HydrophobicContact CD2-CG 3.89Å; C1326-Q1359 HydrophobicContact CB-CB 4.21Å; C1326-Q1359 HydrophobicContact CB-CG 4.26Å; C1326-Q1359 PolarHBondContact O-NE2 3.15Å; T1356-Q1359 WeakPolarHBondContact O-CA 3.33Å; T1356-Q1359 WeakPolarHBondContact O-CB 3.35Å; T1356-Q1359 PolarHBondContact O-N 3.48Å; Q1359-S1361 PolarHBondContact O-N 3.46Å; Q1359-L1362 WeakPolarHBondContact O-CB 3.41Å; Q1359-L1362 PolarHBondContact O-N 3Å; Q1359-L1362 VanDerWaalsContact O-N 3.14Å; Q1359-E1363 PolarHBondContact O-N 3.25Å
1360S86.5Confident83.9Confident1 Ų130.8 Ų30.81%0.00715%0.145CC..Hα-helixtrans-62.7-38.9177.5-620000112.7T1356 L1362 L1364T1356-S1360 PolarHBondContact O-N 3.36Å; T1356-S1360 PolarHBondContact O-OG 2.96Å; S1360-L1362 VanDerWaalsContact C-N 3.33Å; S1360-L1364 WeakPolarHBondContact O-CG 3.23Å; S1360-L1364 PolarHBondContact O-N 2.96Å
1361S87.1Confident83.8Confident13 Ų1324.3 Ų24.39%0.09112%0.118CC..Hα-helixtrans-64.1-41.5173.2-170.30000111.1M1357 R1358 Q1359 Q1365 L1432M1357-S1361 VanDerWaalsContact O-CB 3.3Å; M1357-S1361 WeakPolarHBondContact O-CB 3.45Å; M1357-S1361 PolarHBondContact O-N 3.41Å; R1358-S1361 PolarHBondContact O-N 3.37Å; Q1359-S1361 PolarHBondContact O-N 3.46Å; S1361-Q1365 WeakPolarHBondContact O-CB 3.25Å; S1361-Q1365 VanDerWaalsContact O-CG 3.27Å; S1361-Q1365 WeakPolarHBondContact O-CG 3.4Å; S1361-Q1365 PolarHBondContact O-N 3.23Å; S1361-L1432 VanDerWaalsContact CA-CD1 3.48Å
1362L82.9Confident83.8Confident5 Ų524 Ų243%0.02612%0.12CC..Hα-helixtrans-66.1-46.6178.8-154.784.3000112.2L1298 L1301 M1322 R1358 Q1359 S1360 L1364 Q1365 L1366L1298-L1362 HydrophobicContact CD2-CD2 4.23Å; L1301-L1362 HydrophobicContact CB-CD1 3.72Å; L1301-L1362 HydrophobicContact CB-CD2 3.73Å; L1301-L1362 HydrophobicContact CB-CG 4.27Å; L1301-L1362 HydrophobicContact CD1-CD2 3.79Å; L1301-L1362 HydrophobicContact CG-CD2 4.41Å; L1301-L1362 WeakPolarHBondContact O-CD1 3.3Å; M1322-L1362 HydrophobicContact CG-CD2 4.44Å; M1322-L1362 HydrophobicContact SD-CD2 4.29Å; M1322-L1362 HydrophobicContact SD-CG 4.47Å; R1358-L1362 PolarHBondContact O-N 3.27Å; Q1359-L1362 WeakPolarHBondContact O-CB 3.41Å; Q1359-L1362 PolarHBondContact O-N 3Å; Q1359-L1362 VanDerWaalsContact O-N 3.14Å; S1360-L1362 VanDerWaalsContact C-N 3.33Å; L1362-L1364 VanDerWaalsContact C-N 3.34Å; L1362-L1364 PolarHBondContact O-N 3.26Å; L1362-Q1365 PolarHBondContact O-N 2.72Å; L1362-L1366 PolarHBondContact O-N 3.36Å
1363E85Confident83.6Confident3 Ų330.6 Ų30.61%0.01416%0.156CC..Hα-helixtrans-62.3-41.2-178.6-174.8166.9-163.200111.7M1322 Q1323 R1344 I1348 Q1359 M1367M1322-E1363 HydrophobicContact CE-CB 4.05Å; M1322-E1363 HydrophobicContact CE-CG 3.8Å; M1322-E1363 HydrophobicContact SD-CB 4.35Å; Q1323-E1363 WeakPolarHBondContact CG-OE1 3.42Å; Q1323-E1363 PolarHBondContact NE2-OE1 3.08Å; R1344-E1363 IonicContact CZ-OE1 3.39Å; R1344-E1363 IonicContact NE-OE1 2.93Å; R1344-E1363 PolarHBondContact NE-OE1 3.35Å; R1344-E1363 IonicContact NH2-OE1 2.89Å; R1344-E1363 PolarHBondContact NH2-OE1 3.39Å; I1348-E1363 HydrophobicContact CD1-CB 4.24Å; I1348-E1363 VanDerWaalsContact CD1-CD 3.46Å; I1348-E1363 HydrophobicContact CD1-CG 3.63Å; I1348-E1363 WeakPolarHBondContact CD1-OE2 3.43Å; I1348-E1363 WeakPolarHBondContact CG1-OE2 3.49Å; Q1359-E1363 PolarHBondContact O-N 3.25Å; E1363-M1367 VanDerWaalsContact O-CB 3.27Å; E1363-M1367 WeakPolarHBondContact O-CB 3.37Å; E1363-M1367 PolarHBondContact O-N 3.37Å
1364L87.9Confident83.4Confident0 Ų033.6 Ų33.60%018%0.176CC..Hα-helixtrans-68.8-42.7173.6-64.9178.9000112.3I1345 I1348 L1349 S1360 L1362 M1367 I1368 L1432 L1436I1345-L1364 HydrophobicContact CG1-CD2 4.26Å; I1345-L1364 HydrophobicContact CG2-CD2 4.28Å; I1348-L1364 HydrophobicContact CD1-CD2 4.02Å; I1348-L1364 HydrophobicContact CG2-CG 4.41Å; L1349-L1364 HydrophobicContact CD2-CD1 4.37Å; S1360-L1364 WeakPolarHBondContact O-CG 3.23Å; S1360-L1364 PolarHBondContact O-N 2.96Å; L1362-L1364 VanDerWaalsContact C-N 3.34Å; L1362-L1364 PolarHBondContact O-N 3.26Å; L1364-M1367 HydrophobicContact CD2-CE 3.69Å; L1364-I1368 WeakPolarHBondContact O-CD1 3.31Å; L1364-I1368 WeakPolarHBondContact O-CG1 3.35Å; L1364-I1368 PolarHBondContact O-N 3.01Å; L1364-L1432 HydrophobicContact CD1-CD2 3.83Å; L1364-L1432 HydrophobicContact CD1-CG 4.31Å; L1364-L1436 HydrophobicContact CB-CD1 4.22Å; L1364-L1436 HydrophobicContact CB-CD2 3.93Å; L1364-L1436 HydrophobicContact CD1-CD1 3.98Å
1365Q85.4Confident83.5Confident48 Ų4838.4 Ų38.422%0.22420%0.199CC..Hα-helixtrans-65-42.6178.7-78.3-176.77.900112.9S1361 L1362 I1368 K1369 K1435 L1436S1361-Q1365 WeakPolarHBondContact O-CB 3.25Å; S1361-Q1365 VanDerWaalsContact O-CG 3.27Å; S1361-Q1365 WeakPolarHBondContact O-CG 3.4Å; S1361-Q1365 PolarHBondContact O-N 3.23Å; L1362-Q1365 PolarHBondContact O-N 2.72Å; Q1365-I1368 PolarHBondContact O-N 3.29Å; Q1365-K1369 PolarHBondContact O-N 3.06Å; Q1365-K1435 PolarHBondContact NE2-O 3.03Å; Q1365-L1436 HydrophobicContact CG-CD2 3.77Å
1366L79.2Confident83.6Confident5 Ų538.4 Ų38.43%0.02620%0.2CC..Hα-helixtrans-66.6-44.8178.8-162.286.5000110.9L1308 M1322 L1362 I1368 K1369 Q1370L1308-L1366 HydrophobicContact CB-CD1 3.9Å; L1308-L1366 HydrophobicContact CB-CD2 4.46Å; L1308-L1366 HydrophobicContact CD1-CD2 4.31Å; M1322-L1366 HydrophobicContact CB-CD2 4.22Å; M1322-L1366 HydrophobicContact CE-CB 3.8Å; M1322-L1366 HydrophobicContact CE-CD2 3.55Å; M1322-L1366 HydrophobicContact CE-CG 4.29Å; M1322-L1366 HydrophobicContact SD-CB 3.61Å; M1322-L1366 HydrophobicContact SD-CD2 3.58Å; M1322-L1366 VanDerWaalsContact SD-CD2 3.58Å; M1322-L1366 HydrophobicContact SD-CG 4.14Å; L1362-L1366 PolarHBondContact O-N 3.36Å; L1366-I1368 VanDerWaalsContact C-N 3.29Å; L1366-I1368 PolarHBondContact O-N 2.88Å; L1366-K1369 PolarHBondContact O-N 3.05Å; L1366-Q1370 HydrophobicContact CG-CG 4.29Å; L1366-Q1370 WeakPolarHBondContact O-CB 3.45Å; L1366-Q1370 WeakPolarHBondContact O-CG 3.36Å; L1366-Q1370 PolarHBondContact O-N 3.15Å
1367M84.7Confident83.7Confident4 Ų442.2 Ų42.22%0.0222%0.22CC..Hα-helixtrans-60.5-38.1176.5-178.6-173.752.300111.7Q1341 I1345 E1363 L1364 T1371 L1379 I1383Q1341-M1367 HydrophobicContact CG-SD 4.05Å; I1345-M1367 HydrophobicContact CD1-CE 4.02Å; I1345-M1367 HydrophobicContact CD1-SD 4.47Å; I1345-M1367 HydrophobicContact CG1-CE 3.75Å; I1345-M1367 HydrophobicContact CG1-SD 4.31Å; E1363-M1367 VanDerWaalsContact O-CB 3.27Å; E1363-M1367 WeakPolarHBondContact O-CB 3.37Å; E1363-M1367 PolarHBondContact O-N 3.37Å; L1364-M1367 HydrophobicContact CD2-CE 3.69Å; M1367-T1371 WeakPolarHBondContact O-CB 3.49Å; M1367-T1371 PolarHBondContact O-N 3.48Å; M1367-T1371 PolarHBondContact O-OG1 3.42Å; M1367-L1379 HydrophobicContact CE-CD1 3.66Å; M1367-L1379 HydrophobicContact CG-CD1 4.22Å; M1367-L1379 HydrophobicContact CG-CD2 4.06Å; M1367-L1379 WeakPolarHBondContact O-CD2 3.38Å; M1367-L1379 HydrophobicContact SD-CD1 3.8Å; M1367-I1383 HydrophobicContact CE-CD1 4.35Å; M1367-I1383 HydrophobicContact CE-CG1 4.49Å
1368I86.1Confident84Confident10 Ų1044.2 Ų44.25%0.05124%0.236CC..Hα-helixtrans-63.7-54.9171-68.5161.6000110.5L1364 Q1365 L1366 Q1370 T1371 M1376 L1379 I1383 L1436 P1437 V1440L1364-I1368 WeakPolarHBondContact O-CD1 3.31Å; L1364-I1368 WeakPolarHBondContact O-CG1 3.35Å; L1364-I1368 PolarHBondContact O-N 3.01Å; Q1365-I1368 PolarHBondContact O-N 3.29Å; L1366-I1368 VanDerWaalsContact C-N 3.29Å; L1366-I1368 PolarHBondContact O-N 2.88Å; I1368-Q1370 VanDerWaalsContact C-N 3.26Å; I1368-Q1370 PolarHBondContact O-N 3.43Å; I1368-T1371 PolarHBondContact O-N 3.37Å; I1368-M1376 HydrophobicContact CG2-CE 4.3Å; I1368-M1376 HydrophobicContact CG2-SD 4.14Å; I1368-M1376 VanDerWaalsContact O-CE 3.28Å; I1368-M1376 WeakPolarHBondContact O-CE 3.33Å; I1368-L1379 HydrophobicContact CB-CD2 4.49Å; I1368-L1379 HydrophobicContact CG1-CD2 4.04Å; I1368-I1383 HydrophobicContact CD1-CD1 3.96Å; I1368-I1383 HydrophobicContact CG1-CD1 3.9Å; I1368-L1436 HydrophobicContact CD1-CD1 4.49Å; I1368-L1436 HydrophobicContact CD1-CD2 4.47Å; I1368-P1437 HydrophobicContact CG2-CG 4.43Å; I1368-V1440 HydrophobicContact CD1-CG2 3.58Å
1369K80.9Confident84.3Confident97 Ų9742.7 Ų42.742%0.42223%0.23SC..Hα-helixtrans-59.3-34-175.5-79.6-167.3174.9-176.30113.9S1305 Q1309 Q1365 L1366S1305-K1369 PolarHBondContact OG-NZ 2.84Å; Q1309-K1369 VanDerWaalsContact NE2-CD 3.34Å; Q1365-K1369 PolarHBondContact O-N 3.06Å; L1366-K1369 PolarHBondContact O-N 3.05Å
1370Q77.6Confident84.6Confident36 Ų3641.6 Ų41.617%0.16823%0.225CC..Hα-helixtrans-88.3-13.5-177.1-65.5-179.1-12.500114.5L1308 S1315 L1366 I1368L1308-Q1370 PolarHBondContact O-NE2 3.3Å; S1315-Q1370 PolarHBondContact O-OE1 2.94Å; S1315-Q1370 VanDerWaalsContact OG-CB 3.26Å; S1315-Q1370 WeakPolarHBondContact OG-CB 3.48Å; S1315-Q1370 PolarHBondContact OG-OE1 2.91Å; L1366-Q1370 HydrophobicContact CG-CG 4.29Å; L1366-Q1370 WeakPolarHBondContact O-CB 3.45Å; L1366-Q1370 WeakPolarHBondContact O-CG 3.36Å; L1366-Q1370 PolarHBondContact O-N 3.15Å; I1368-Q1370 VanDerWaalsContact C-N 3.26Å; I1368-Q1370 PolarHBondContact O-N 3.43Å
1371T82Confident84.8Confident14 Ų1445 Ų459%0.08624%0.241CC..SBendtrans-74.6127.7179.5-66.50000110.1M1367 I1368 E1375 M1376 L1379M1367-T1371 WeakPolarHBondContact O-CB 3.49Å; M1367-T1371 PolarHBondContact O-N 3.48Å; M1367-T1371 PolarHBondContact O-OG1 3.42Å; I1368-T1371 PolarHBondContact O-N 3.37Å; T1371-E1375 HydrophobicContact CG2-CB 3.95Å; T1371-M1376 WeakPolarHBondContact O-CE 3.36Å; T1371-L1379 HydrophobicContact CG2-CB 4.2Å; T1371-L1379 HydrophobicContact CG2-CD2 4.21Å; T1371-L1379 VanDerWaalsContact OG1-CD2 3.3Å; T1371-L1379 WeakPolarHBondContact OG1-CD2 3.39Å
1372P79.7Confident85Confident66 Ų6645.5 Ų45.543%0.42924%0.242SC..  trans-63.8147.7-178.826.7-34.6000111.4T1374 E1375 M1376P1372-T1374 PolarHBondContact O-N 2.9Å; P1372-E1375 HydrophobicContact CG-CB 4.32Å; P1372-E1375 HydrophobicContact CG-CG 4.43Å; P1372-E1375 PolarHBondContact O-N 3.45Å; P1372-M1376 PolarHBondContact O-N 3.4Å
1373N79.9Confident85.5Confident146 Ų14645.3 Ų45.378%0.78124%0.241SC*.THydrogen-bonded Turntrans-55.9-19.3-176.4-76.8-35.7000114.8
1374T82.3Confident85.8Confident122 Ų12245.2 Ų45.275%0.74824%0.241SC*.THydrogen-bonded Turntrans-70.3-35.3172.943.30000113.4P1372P1372-T1374 PolarHBondContact O-N 2.9Å
1375E84.1Confident86Confident111 Ų11149.1 Ų49.152%0.51926%0.258SS..THydrogen-bonded Turntrans-106.9-9.4-174.9-66.4174.4-168.200112.7T1371 P1372 N1377 S1378 L1379T1371-E1375 HydrophobicContact CG2-CB 3.95Å; P1372-E1375 HydrophobicContact CG-CB 4.32Å; P1372-E1375 HydrophobicContact CG-CG 4.43Å; P1372-E1375 PolarHBondContact O-N 3.45Å; E1375-N1377 VanDerWaalsContact C-N 3.28Å; E1375-N1377 PolarHBondContact O-N 3.45Å; E1375-S1378 PolarHBondContact O-N 3.43Å; E1375-S1378 PolarHBondContact O-OG 3.42Å; E1375-L1379 PolarHBondContact O-N 2.99Å
1376M85.9Confident86.3Confident31 Ų3146.8 Ų46.815%0.15325%0.247CC..Hα-helixtrans-45.6-48.8176.3-177.960.268.400112.6I1368 T1371 P1372 S1378 L1379 L1380I1368-M1376 HydrophobicContact CG2-CE 4.3Å; I1368-M1376 HydrophobicContact CG2-SD 4.14Å; I1368-M1376 VanDerWaalsContact O-CE 3.28Å; I1368-M1376 WeakPolarHBondContact O-CE 3.33Å; T1371-M1376 WeakPolarHBondContact O-CE 3.36Å; P1372-M1376 PolarHBondContact O-N 3.4Å; M1376-S1378 PolarHBondContact O-N 2.9Å; M1376-L1379 PolarHBondContact O-N 3.38Å; M1376-L1380 HydrophobicContact CG-CD1 3.94Å; M1376-L1380 HydrophobicContact CG-CG 4.31Å; M1376-L1380 VanDerWaalsContact O-CG 3.27Å; M1376-L1380 WeakPolarHBondContact O-CG 3.27Å; M1376-L1380 PolarHBondContact O-N 3.31Å; M1376-L1380 HydrophobicContact SD-CD1 4.23Å; M1376-L1380 HydrophobicContact SD-CD2 4.36Å; M1376-L1380 HydrophobicContact SD-CG 4.13Å
1377N88.4Confident86.8Confident100 Ų10046.6 Ų46.654%0.53525%0.246SC..Hα-helixtrans-63-41-178.7-69.5-38.3000112.4E1375 L1380 E1381E1375-N1377 VanDerWaalsContact C-N 3.28Å; E1375-N1377 PolarHBondContact O-N 3.45Å; N1377-L1380 PolarHBondContact O-N 3.29Å; N1377-E1381 VanDerWaalsContact O-CB 3.3Å; N1377-E1381 WeakPolarHBondContact O-CB 3.46Å; N1377-E1381 PolarHBondContact O-N 3.42Å
1378S89.9Confident87.1Confident58 Ų5846.6 Ų46.641%0.40625%0.246SC..Hα-helixtrans-65.7-35.7174.930.30000112.6E1375 M1376 N1382E1375-S1378 PolarHBondContact O-N 3.43Å; E1375-S1378 PolarHBondContact O-OG 3.42Å; M1376-S1378 PolarHBondContact O-N 2.9Å; S1378-N1382 VanDerWaalsContact O-CB 3.3Å; S1378-N1382 WeakPolarHBondContact O-CB 3.19Å; S1378-N1382 PolarHBondContact O-N 3.46Å; S1378-N1382 PolarHBondContact O-ND2 3.09Å
1379L90.2Very high87.2Confident0 Ų048.4 Ų48.40%026%0.255CS..Hα-helixtrans-65.4-49.4171.6170.761.4000111.5Q1341 I1345 M1367 I1368 T1371 E1375 M1376 E1381 N1382 I1383Q1341-L1379 HydrophobicContact CG-CD1 4.14Å; I1345-L1379 HydrophobicContact CD1-CD1 3.97Å; M1367-L1379 HydrophobicContact CE-CD1 3.66Å; M1367-L1379 HydrophobicContact CG-CD1 4.22Å; M1367-L1379 HydrophobicContact CG-CD2 4.06Å; M1367-L1379 WeakPolarHBondContact O-CD2 3.38Å; M1367-L1379 HydrophobicContact SD-CD1 3.8Å; I1368-L1379 HydrophobicContact CB-CD2 4.49Å; I1368-L1379 HydrophobicContact CG1-CD2 4.04Å; T1371-L1379 HydrophobicContact CG2-CB 4.2Å; T1371-L1379 HydrophobicContact CG2-CD2 4.21Å; T1371-L1379 VanDerWaalsContact OG1-CD2 3.3Å; T1371-L1379 WeakPolarHBondContact OG1-CD2 3.39Å; E1375-L1379 PolarHBondContact O-N 2.99Å; M1376-L1379 PolarHBondContact O-N 3.38Å; L1379-E1381 PolarHBondContact O-N 3.12Å; L1379-N1382 WeakPolarHBondContact O-CB 3.49Å; L1379-N1382 PolarHBondContact O-N 2.97Å; L1379-N1382 VanDerWaalsContact O-N 3.1Å; L1379-I1383 HydrophobicContact CD1-CD1 3.88Å; L1379-I1383 HydrophobicContact CD1-CG1 3.92Å; L1379-I1383 HydrophobicContact CG-CD1 3.94Å; L1379-I1383 HydrophobicContact CG-CG1 4.4Å; L1379-I1383 WeakPolarHBondContact O-CG1 3.21Å; L1379-I1383 PolarHBondContact O-N 2.72Å
1380L91.3Very high87.5Confident4 Ų444.4 Ų44.42%0.02124%0.238CC..Hα-helixtrans-59.3-37.8179.7-65.3174.4000111.4M1376 N1377 A1384 V1440 H1443M1376-L1380 HydrophobicContact CG-CD1 3.94Å; M1376-L1380 HydrophobicContact CG-CG 4.31Å; M1376-L1380 VanDerWaalsContact O-CG 3.27Å; M1376-L1380 WeakPolarHBondContact O-CG 3.27Å; M1376-L1380 PolarHBondContact O-N 3.31Å; M1376-L1380 HydrophobicContact SD-CD1 4.23Å; M1376-L1380 HydrophobicContact SD-CD2 4.36Å; M1376-L1380 HydrophobicContact SD-CG 4.13Å; N1377-L1380 PolarHBondContact O-N 3.29Å; L1380-A1384 WeakPolarHBondContact O-CB 3.41Å; L1380-A1384 PolarHBondContact O-N 3.41Å; L1380-V1440 HydrophobicContact CD2-CB 4.27Å; L1380-V1440 HydrophobicContact CD2-CG2 3.48Å; L1380-V1440 VanDerWaalsContact CD2-CG2 3.48Å; L1380-H1443 HydrophobicContact CB-CB 4.24Å
1381E89.8Confident87.9Confident71 Ų7142.7 Ų42.733%0.33223%0.23SC..Hα-helixtrans-72.6-36175-161.9179.2173.400112.6N1377 L1379 K1385N1377-E1381 VanDerWaalsContact O-CB 3.3Å; N1377-E1381 WeakPolarHBondContact O-CB 3.46Å; N1377-E1381 PolarHBondContact O-N 3.42Å; L1379-E1381 PolarHBondContact O-N 3.12Å; E1381-K1385 VanDerWaalsContact CD-NZ 3.26Å; E1381-K1385 HydrophobicContact CG-CD 4.13Å; E1381-K1385 VanDerWaalsContact O-CB 3.29Å; E1381-K1385 WeakPolarHBondContact O-CB 3.39Å; E1381-K1385 VanDerWaalsContact O-CG 3.25Å; E1381-K1385 WeakPolarHBondContact O-CG 3.42Å; E1381-K1385 PolarHBondContact O-N 3.42Å; E1381-K1385 WeakPolarHBondContact OE1-CE 3.28Å; E1381-K1385 IonicContact OE1-NZ 3.75Å; E1381-K1385 PolarHBondContact OE1-NZ 2.97Å
1382N92.2Very high87.9Confident24 Ų2444.5 Ų44.513%0.12824%0.238CC..Hα-helixtrans-63.6-43.4171.2-79-27000111.7N1339 Q1341 R1342 I1345 S1378 L1379 A1386N1339-N1382 PolarHBondContact ND2-ND2 3.02Å; N1339-N1382 PolarHBondContact ND2-OD1 3.5Å; Q1341-N1382 PolarHBondContact OE1-ND2 3.24Å; R1342-N1382 HydrophobicContact CB-CB 4.39Å; I1345-N1382 HydrophobicContact CD1-CB 4.18Å; S1378-N1382 VanDerWaalsContact O-CB 3.3Å; S1378-N1382 WeakPolarHBondContact O-CB 3.19Å; S1378-N1382 PolarHBondContact O-N 3.46Å; S1378-N1382 PolarHBondContact O-ND2 3.09Å; L1379-N1382 WeakPolarHBondContact O-CB 3.49Å; L1379-N1382 PolarHBondContact O-N 2.97Å; L1379-N1382 VanDerWaalsContact O-N 3.1Å; N1382-A1386 VanDerWaalsContact O-CB 3.3Å; N1382-A1386 WeakPolarHBondContact O-CB 3.26Å; N1382-A1386 PolarHBondContact O-N 3.11Å
1383I92.7Very high88Confident1 Ų145.5 Ų45.51%0.00524%0.236CC..Hα-helixtrans-59.4-55.1174.2-66.5168.1000109.5I1345 M1367 I1368 L1379 K1385 A1386 T1387 I1433 V1440I1345-I1383 HydrophobicContact CD1-CG1 3.67Å; I1345-I1383 HydrophobicContact CG1-CG1 4.34Å; I1345-I1383 HydrophobicContact CG2-CG1 4.48Å; M1367-I1383 HydrophobicContact CE-CD1 4.35Å; M1367-I1383 HydrophobicContact CE-CG1 4.49Å; I1368-I1383 HydrophobicContact CD1-CD1 3.96Å; I1368-I1383 HydrophobicContact CG1-CD1 3.9Å; L1379-I1383 HydrophobicContact CD1-CD1 3.88Å; L1379-I1383 HydrophobicContact CD1-CG1 3.92Å; L1379-I1383 HydrophobicContact CG-CD1 3.94Å; L1379-I1383 HydrophobicContact CG-CG1 4.4Å; L1379-I1383 WeakPolarHBondContact O-CG1 3.21Å; L1379-I1383 PolarHBondContact O-N 2.72Å; I1383-K1385 VanDerWaalsContact C-N 3.35Å; I1383-K1385 PolarHBondContact O-N 3.27Å; I1383-A1386 PolarHBondContact O-N 2.8Å; I1383-T1387 PolarHBondContact O-N 3.46Å; I1383-T1387 PolarHBondContact O-OG1 2.91Å; I1383-T1387 VanDerWaalsContact O-OG1 3.12Å; I1383-I1433 HydrophobicContact CG2-CD1 4.44Å; I1383-V1440 HydrophobicContact CG2-CG1 3.76Å
1384A92.1Very high87.9Confident1 Ų139.9 Ų39.91%0.00821%0.209CC..Hα-helixtrans-56.1-47-179.900000112.5L1380 A1386 T1387 I1388 H1443 V1444 A1447L1380-A1384 WeakPolarHBondContact O-CB 3.41Å; L1380-A1384 PolarHBondContact O-N 3.41Å; A1384-A1386 VanDerWaalsContact C-N 3.32Å; A1384-A1386 PolarHBondContact O-N 2.96Å; A1384-T1387 WeakPolarHBondContact O-CB 3.31Å; A1384-T1387 PolarHBondContact O-N 2.89Å; A1384-I1388 WeakPolarHBondContact O-CG1 3.39Å; A1384-I1388 PolarHBondContact O-N 3.02Å; A1384-I1388 VanDerWaalsContact O-N 3.09Å; A1384-H1443 HydrophobicContact CB-CB 4.03Å; A1384-H1443 WeakPolarHBondContact CB-O 3.32Å; A1384-V1444 HydrophobicContact CB-CG2 4.15Å; A1384-A1447 HydrophobicContact CB-CB 3.87Å
1385K91.3Very high87.3Confident82 Ų8234.5 Ų34.536%0.35718%0.177SC..Hα-helixtrans-67.6-28.2177.8-71.7172.9-178.7166.20113.2R1342 E1381 I1383 E1389R1342-K1385 PolarHBondContact NH2-O 2.64Å; E1381-K1385 VanDerWaalsContact CD-NZ 3.26Å; E1381-K1385 HydrophobicContact CG-CD 4.13Å; E1381-K1385 VanDerWaalsContact O-CB 3.29Å; E1381-K1385 WeakPolarHBondContact O-CB 3.39Å; E1381-K1385 VanDerWaalsContact O-CG 3.25Å; E1381-K1385 WeakPolarHBondContact O-CG 3.42Å; E1381-K1385 PolarHBondContact O-N 3.42Å; E1381-K1385 WeakPolarHBondContact OE1-CE 3.28Å; E1381-K1385 IonicContact OE1-NZ 3.75Å; E1381-K1385 PolarHBondContact OE1-NZ 2.97Å; I1383-K1385 VanDerWaalsContact C-N 3.35Å; I1383-K1385 PolarHBondContact O-N 3.27Å; K1385-E1389 PolarHBondContact O-N 2.75Å
1386A91.2Very high86.5Confident0 Ų033.3 Ų33.30%017%0.171CC..Hα-helixtrans-76.2-39.617400000111.4R1342 I1345 L1349 N1382 I1383 A1384 E1389 V1390R1342-A1386 HydrophobicContact CG-CB 4.39Å; I1345-A1386 HydrophobicContact CB-CB 4.13Å; I1345-A1386 HydrophobicContact CG2-CB 3.61Å; L1349-A1386 HydrophobicContact CD1-CB 4.33Å; N1382-A1386 VanDerWaalsContact O-CB 3.3Å; N1382-A1386 WeakPolarHBondContact O-CB 3.26Å; N1382-A1386 PolarHBondContact O-N 3.11Å; I1383-A1386 PolarHBondContact O-N 2.8Å; A1384-A1386 VanDerWaalsContact C-N 3.32Å; A1384-A1386 PolarHBondContact O-N 2.96Å; A1386-E1389 PolarHBondContact O-N 3.28Å; A1386-V1390 PolarHBondContact O-N 2.84Å
1387T91.5Very high85.5Confident0 Ų036.4 Ų36.40%019%0.192CC..Hα-helixtrans-54.9-52.3172.6-63.60000111.5I1383 A1384 E1389 V1390 F1391 V1429 V1444 L1485I1383-T1387 PolarHBondContact O-N 3.46Å; I1383-T1387 PolarHBondContact O-OG1 2.91Å; I1383-T1387 VanDerWaalsContact O-OG1 3.12Å; A1384-T1387 WeakPolarHBondContact O-CB 3.31Å; A1384-T1387 PolarHBondContact O-N 2.89Å; T1387-E1389 VanDerWaalsContact C-N 3.34Å; T1387-E1389 PolarHBondContact O-N 3.15Å; T1387-V1390 PolarHBondContact O-N 3.1Å; T1387-F1391 HydrophobicContact CG2-CE2 4.49Å; T1387-F1391 WeakPolarHBondContact O-CD2 3.32Å; T1387-V1429 HydrophobicContact CG2-CG1 3.87Å; T1387-V1444 HydrophobicContact CG2-CG1 4.15Å; T1387-L1485 HydrophobicContact CG2-CD1 4.25Å; T1387-L1485 HydrophobicContact CG2-CD2 3.51Å
1388I90Very high83.7Confident5 Ų534.3 Ų34.33%0.02619%0.194CC..Hα-helixtrans-64-36-179.3-57-60.5000112.2A1384 V1390 F1391 Q1392 A1447 A1448 E1451 F1482A1384-I1388 WeakPolarHBondContact O-CG1 3.39Å; A1384-I1388 PolarHBondContact O-N 3.02Å; A1384-I1388 VanDerWaalsContact O-N 3.09Å; I1388-V1390 VanDerWaalsContact C-N 3.33Å; I1388-V1390 PolarHBondContact O-N 3.26Å; I1388-F1391 PolarHBondContact O-N 2.87Å; I1388-Q1392 WeakPolarHBondContact O-CG 3.44Å; I1388-Q1392 PolarHBondContact O-N 3.11Å; I1388-A1447 HydrophobicContact CG1-CB 3.9Å; I1388-A1448 HydrophobicContact CD1-CB 3.94Å; I1388-E1451 HydrophobicContact CG2-CB 4.28Å; I1388-E1451 HydrophobicContact CG2-CG 4Å; I1388-F1482 HydrophobicContact CD1-CE2 3.88Å
1389E88.6Confident81.3Confident48 Ų4835.6 Ų35.622%0.22420%0.203CC..Hα-helixtrans-62.6-34.1176.9-93.4-171.7-157.800113.7R1342 K1346 K1385 A1386 T1387 F1391 Q1392 Q1393R1342-E1389 IonicContact CZ-OE1 3.9Å; R1342-E1389 IonicContact NH1-OE1 3.96Å; R1342-E1389 PolarHBondContact NH1-OE1 3.37Å; R1342-E1389 IonicContact NH1-OE2 3.01Å; R1342-E1389 IonicContact NH2-OE1 2.7Å; R1342-E1389 PolarHBondContact NH2-OE1 3.12Å; R1342-E1389 IonicContact NH2-OE2 2.8Å; K1346-E1389 WeakPolarHBondContact CD-OE2 3.07Å; K1346-E1389 WeakPolarHBondContact CE-OE2 3.33Å; K1346-E1389 IonicContact NZ-OE2 3.2Å; K1346-E1389 PolarHBondContact NZ-OE2 2.79Å; K1385-E1389 PolarHBondContact O-N 2.75Å; A1386-E1389 PolarHBondContact O-N 3.28Å; T1387-E1389 VanDerWaalsContact C-N 3.34Å; T1387-E1389 PolarHBondContact O-N 3.15Å; E1389-F1391 VanDerWaalsContact C-N 3.33Å; E1389-F1391 PolarHBondContact O-N 2.96Å; E1389-Q1392 PolarHBondContact O-N 2.93Å; E1389-Q1393 WeakPolarHBondContact O-CG 3.42Å; E1389-Q1393 PolarHBondContact O-N 3.19Å
1390V86.9Confident78.7Confident13 Ų1339.7 Ų39.78%0.07923%0.232CC..Hα-helixtrans-65.2-39177.8171.40000111L1349 A1386 T1387 I1388 Q1393 S1394 V1426 V1429L1349-V1390 HydrophobicContact CB-CG2 3.92Å; A1386-V1390 PolarHBondContact O-N 2.84Å; T1387-V1390 PolarHBondContact O-N 3.1Å; I1388-V1390 VanDerWaalsContact C-N 3.33Å; I1388-V1390 PolarHBondContact O-N 3.26Å; V1390-Q1393 PolarHBondContact O-N 3.39Å; V1390-S1394 PolarHBondContact O-N 3.19Å; V1390-S1394 VanDerWaalsContact O-N 3.15Å; V1390-V1426 HydrophobicContact CG1-CG2 4.21Å; V1390-V1429 HydrophobicContact CG1-CG2 4.49Å
1391F85.9Confident75.8Confident0 Ų043.4 Ų43.40%026%0.258CS..Hα-helixtrans-70.6-29.6173.5-75.6-85.1000113.3T1387 I1388 E1389 S1394 A1395 V1426 V1429 L1476 P1481 F1482 L1485T1387-F1391 HydrophobicContact CG2-CE2 4.49Å; T1387-F1391 WeakPolarHBondContact O-CD2 3.32Å; I1388-F1391 PolarHBondContact O-N 2.87Å; E1389-F1391 VanDerWaalsContact C-N 3.33Å; E1389-F1391 PolarHBondContact O-N 2.96Å; F1391-S1394 PolarHBondContact O-OG 3.42Å; F1391-A1395 WeakPolarHBondContact O-CB 3.4Å; F1391-A1395 PolarHBondContact O-N 3.23Å; F1391-V1426 HydrophobicContact CD1-CG1 3.57Å; F1391-V1426 HydrophobicContact CE1-CG1 3.21Å; F1391-V1426 HydrophobicContact CG-CG1 4.36Å; F1391-V1426 HydrophobicContact CZ-CG1 3.75Å; F1391-V1426 WeakPolarHBondContact CZ-O 3.39Å; F1391-V1429 HydrophobicContact CE2-CB 4.07Å; F1391-V1429 HydrophobicContact CE2-CG1 3.99Å; F1391-V1429 HydrophobicContact CE2-CG2 4.46Å; F1391-V1429 HydrophobicContact CZ-CB 4.3Å; F1391-L1476 HydrophobicContact CB-CD2 3.82Å; F1391-L1476 WeakPolarHBondContact O-CD2 3.46Å; F1391-P1481 HydrophobicContact CE1-CB 3.9Å; F1391-P1481 HydrophobicContact CE1-CG 4.17Å; F1391-P1481 WeakPolarHBondContact CE1-O 3.38Å; F1391-F1482 HydrophobicContact CB-CD2 3.97Å; F1391-F1482 HydrophobicContact CD1-CB 3.7Å; F1391-F1482 AromaticContact CD1-CD2 3.96Å; F1391-F1482 HydrophobicContact CD1-CD2 3.96Å; F1391-F1482 HydrophobicContact CD1-CG 4.32Å; F1391-F1482 HydrophobicContact CD2-CD2 4.29Å; F1391-F1482 HydrophobicContact CE1-CB 4.01Å; F1391-F1482 HydrophobicContact CG-CB 4.41Å; F1391-F1482 AromaticContact CG-CD2 3.8Å; F1391-F1482 HydrophobicContact CG-CD2 3.8Å; F1391-L1485 HydrophobicContact CD2-CD2 4.15Å; F1391-L1485 HydrophobicContact CE2-CB 4.49Å; F1391-L1485 HydrophobicContact CE2-CD2 3.71Å; F1391-L1485 HydrophobicContact CZ-CB 4.31Å; F1391-L1485 HydrophobicContact CZ-CD2 4.33Å
1392Q83.1Confident72.9Confident51 Ų5143.5 Ų43.524%0.23828%0.278CS..Hα-helixtrans-68.2-44.8172.5-71.8176.4-1.200111.5I1388 E1389 S1394 A1395 E1396 E1451 L1476I1388-Q1392 WeakPolarHBondContact O-CG 3.44Å; I1388-Q1392 PolarHBondContact O-N 3.11Å; E1389-Q1392 PolarHBondContact O-N 2.93Å; Q1392-S1394 PolarHBondContact O-N 3.07Å; Q1392-A1395 PolarHBondContact O-N 3.31Å; Q1392-E1396 PolarHBondContact O-N 3.47Å; Q1392-E1451 PolarHBondContact NE2-OE1 2.83Å; Q1392-E1451 VanDerWaalsContact NE2-OE1 3.1Å; Q1392-L1476 HydrophobicContact CG-CD1 4.01Å; Q1392-L1476 HydrophobicContact CG-CD2 4.16Å; Q1392-L1476 HydrophobicContact CG-CG 4.49Å
1393Q81.3Confident69.9Low87 Ų8747.5 Ų47.541%0.40731%0.308SS..Hα-helixtrans-65.7-36.6179.6-70.3-171.8-27.800112.5K1346 E1389 V1390 T1397K1346-Q1393 VanDerWaalsContact NZ-NE2 3.14Å; E1389-Q1393 WeakPolarHBondContact O-CG 3.42Å; E1389-Q1393 PolarHBondContact O-N 3.19Å; V1390-Q1393 PolarHBondContact O-N 3.39Å; Q1393-T1397 WeakPolarHBondContact O-CB 3.49Å; Q1393-T1397 PolarHBondContact O-N 2.97Å; Q1393-T1397 VanDerWaalsContact O-N 3.09Å; Q1393-T1397 PolarHBondContact O-OG1 2.99Å
1394S76.4Confident66.8Low29 Ų2953.9 Ų53.920%0.20335%0.347CS..Hα-helixtrans-66.5-37.3174.166.30000112.9V1390 F1391 Q1392 T1397 G1398 Q1479V1390-S1394 PolarHBondContact O-N 3.19Å; V1390-S1394 VanDerWaalsContact O-N 3.15Å; F1391-S1394 PolarHBondContact O-OG 3.42Å; Q1392-S1394 PolarHBondContact O-N 3.07Å; S1394-T1397 PolarHBondContact O-N 3.05Å; S1394-G1398 PolarHBondContact O-N 3.15Å; S1394-Q1479 PolarHBondContact OG-NE2 2.87Å; S1394-Q1479 PolarHBondContact OG-OE1 3.15Å; S1394-Q1479 VanDerWaalsContact OG-OE1 3.05Å
1395A69.6Low63.6Low9 Ų958.2 Ų58.27%0.07438%0.383CS..Hα-helixtrans-66.4-37.6179.100000112.5F1391 Q1392 S1399F1391-A1395 WeakPolarHBondContact O-CB 3.4Å; F1391-A1395 PolarHBondContact O-N 3.23Å; Q1392-A1395 PolarHBondContact O-N 3.31Å; A1395-S1399 PolarHBondContact O-N 3.31Å; A1395-S1399 PolarHBondContact O-OG 2.87Å
1396E68.1Low60.4Low85 Ų8559.4 Ų59.440%0.39740%0.402SS..Hα-helixtrans-70.4-45.3175.5-68179.1-131.300111.1Q1392 G1398 S1399 S1400 K1472Q1392-E1396 PolarHBondContact O-N 3.47Å; E1396-G1398 PolarHBondContact O-N 2.94Å; E1396-S1399 WeakPolarHBondContact O-CB 3.28Å; E1396-S1399 PolarHBondContact O-N 3.32Å; E1396-S1400 PolarHBondContact O-N 3.38Å; E1396-S1400 PolarHBondContact O-OG 3.4Å; E1396-K1472 VanDerWaalsContact CD-CE 3.48Å; E1396-K1472 WeakPolarHBondContact OE1-CE 3.29Å; E1396-K1472 IonicContact OE1-NZ 2.94Å; E1396-K1472 PolarHBondContact OE1-NZ 3.31Å; E1396-K1472 WeakPolarHBondContact OE2-CE 3.47Å; E1396-K1472 IonicContact OE2-NZ 3.73Å; E1396-K1472 PolarHBondContact OE2-NZ 3.49Å
1397T65.5Low57.3Low96 Ų9667.3 Ų67.359%0.58944%0.444SS*.Hα-helixtrans-61.2-42.2179.9-51.10000112.3Q1393 S1394 S1399 S1400Q1393-T1397 WeakPolarHBondContact O-CB 3.49Å; Q1393-T1397 PolarHBondContact O-N 2.97Å; Q1393-T1397 VanDerWaalsContact O-N 3.09Å; Q1393-T1397 PolarHBondContact O-OG1 2.99Å; S1394-T1397 PolarHBondContact O-N 3.05Å; T1397-S1399 PolarHBondContact O-N 3.48Å; T1397-S1400 PolarHBondContact O-N 3.03Å; T1397-S1400 PolarHBondContact O-OG 2.74Å
1398G50.2Low54.2Low57 Ų5775.7 Ų75.759%0.58849%0.485SS*.Hα-helixtrans-69.6-12.8176.500000114.7S1394 E1396S1394-G1398 PolarHBondContact O-N 3.15Å; E1396-G1398 PolarHBondContact O-N 2.94Å
1399S39.7Very low51.2Low85 Ų8580.5 Ų80.559%0.59452%0.517SS*.Hα-helixtrans-91.4-21.3177.7-60.40000113A1395 E1396 T1397A1395-S1399 PolarHBondContact O-N 3.31Å; A1395-S1399 PolarHBondContact O-OG 2.87Å; E1396-S1399 WeakPolarHBondContact O-CB 3.28Å; E1396-S1399 PolarHBondContact O-N 3.32Å; T1397-S1399 PolarHBondContact O-N 3.48Å
1400S34.6Very low48.1Very low86 Ų8684.5 Ų84.560%0.60155%0.55SS*.Hα-helixtrans-86.8-15.6-175.135.10000115.6E1396 T1397 G1402E1396-S1400 PolarHBondContact O-N 3.38Å; E1396-S1400 PolarHBondContact O-OG 3.4Å; T1397-S1400 PolarHBondContact O-N 3.03Å; T1397-S1400 PolarHBondContact O-OG 2.74Å; S1400-G1402 VanDerWaalsContact C-N 3.32Å; S1400-G1402 PolarHBondContact O-N 3.49Å
1401S32.3Very low45.2Very low81 Ų8189.1 Ų89.157%0.56658%0.583SS**SBendtrans-80.2-7.2-176.850.90000114.7S1403S1401-S1403 PolarHBondContact O-N 3.33Å
1402G28.1Very low42.4Very low74 Ų7494 Ų9476%0.76362%0.617SS**THydrogen-bonded Turntrans-7721.9-17200000116.9S1400S1400-G1402 VanDerWaalsContact C-N 3.32Å; S1400-G1402 PolarHBondContact O-N 3.49Å
1403S29Very low39.7Very low107 Ų107102.5 Ų102.575%0.74865%0.653SS**THydrogen-bonded Turntrans-118.7-16.5-171.8-590000115.9S1401S1401-S1403 PolarHBondContact O-N 3.33Å
1404T27.5Very low37.2Very low135 Ų135102 Ų10283%0.82866%0.664SS**SBendtrans-143.440.2-172.154.90000112.9
1405A25Very low34.9Very low92 Ų92110 Ų11076%0.7670%0.695SS**  trans-138.849.7-175.500000112.8
1406S24.2Very low33Very low107 Ų107113 Ų11375%0.74871%0.714SS**  trans-124.869.8176.761.20000111.7
1407N26.6Very low31.7Very low166 Ų166111.4 Ų111.489%0.88871%0.71SS**  trans179.9100.2149.8-93.9-10.7000110.6
1408M25.9Very low30.6Very low177 Ų177108.6 Ų108.687%0.87269%0.691SS**  trans-148.9125.6154.4-89.2-57-71.300107.9
1409P27.6Very low30.1Very low105 Ų105109.3 Ų109.368%0.68269%0.687SS**  trans-77149.6-175.230.2-34.6000112.6S1411P1409-S1411 PolarHBondContact O-N 3.43Å
1410S23.6Very low30.3Very low132 Ų132110 Ų11092%0.92369%0.692SS**  trans-79.984.8-17756.90000112.5
1411S24.9Very low30.5Very low110 Ų110113.2 Ų113.277%0.76970%0.702SS**  trans-142.974.5176.9-163.10000114.2P1409P1409-S1411 PolarHBondContact O-N 3.43Å
1412S26.6Very low31.3Very low103 Ų103113.9 Ų113.972%0.7270%0.696SS**  trans-171.4123.6152.833.50000110.2A1414S1412-A1414 PolarHBondContact O-N 2.96Å
1413K27.5Very low32.4Very low229 Ų229113.8 Ų113.8100%0.99667%0.673SS**SBendtrans-88.752172.8-78.5-170.8174.1-176.30111.4
1414A28.8Very low33.6Very low77 Ų77111.2 Ų111.264%0.63665%0.654SS**  trans-157.280.4171.900000108S1412S1412-A1414 PolarHBondContact O-N 2.96Å
1415K27.3Very low35.5Very low196 Ų196105.3 Ų105.385%0.85262%0.621SS**PPolyproline II helixtrans-71.4124.5165.6-81.4-169.7171.9-171.10106.9V1417K1415-V1417 PolarHBondContact O-N 3.24Å
1416P31Very low38.2Very low72 Ų72101.6 Ų101.647%0.46859%0.588SS.*PPolyproline II helixtrans-63137.5179.426.4-34000110L1418P1416-L1418 PolarHBondContact O-N 3.46Å
1417V39.5Very low40.9Very low52 Ų5298.3 Ų98.332%0.31556%0.56SS.*THydrogen-bonded Turntrans-61.8118.2177.1176.90000108.4A503 K1415A503-V1417 HydrophobicContact CB-CG1 4.33Å; K1415-V1417 PolarHBondContact O-N 3.24Å
1418L42.3Very low43.6Very low37 Ų3790.7 Ų90.719%0.19452%0.519CS..THydrogen-bonded Turntrans48.479.6172.6-55-178.2000115.6A450 T453 P1416 E1422A450-L1418 HydrophobicContact CB-CD2 4.47Å; T453-L1418 HydrophobicContact CG2-CD1 3.63Å; P1416-L1418 PolarHBondContact O-N 3.46Å; L1418-E1422 HydrophobicContact CD2-CB 4.33Å; L1418-E1422 VanDerWaalsContact CD2-OE2 3.22Å; L1418-E1422 WeakPolarHBondContact CD2-OE2 3.37Å
1419S41.3Very low46.7Very low72 Ų7282.2 Ų82.250%0.50348%0.477SS..  trans-59.3151.1160.279.40000111L1421 E1422S1419-L1421 PolarHBondContact O-N 3.1Å; S1419-E1422 PolarHBondContact O-N 3.06Å
1420S43.3Very low49.4Very low100 Ų10077.3 Ų77.370%0.69945%0.445SS*.G310 helixtrans-42.4-30.8-178.7-178.80000115.4E1422 R1423S1420-E1422 VanDerWaalsContact C-N 3.29Å; S1420-E1422 PolarHBondContact O-N 3.21Å; S1420-R1423 WeakPolarHBondContact O-CB 3.37Å; S1420-R1423 PolarHBondContact O-N 3.15Å; S1420-R1423 VanDerWaalsContact O-N 3.14Å
1421L38.4Very low52.3Low153 Ų15372.9 Ų72.980%0.80141%0.413SS*.G310 helixtrans-64.2-25.2-177.9-157.867.8000114.7S1419S1419-L1421 PolarHBondContact O-N 3.1Å
1422E49.2Very low55.3Low95 Ų9567.6 Ų67.644%0.44438%0.377SS..G310 helixtrans-83.2-13177.1-66.9-166171.200113.2L1418 S1419 S1420 S1424L1418-E1422 HydrophobicContact CD2-CB 4.33Å; L1418-E1422 VanDerWaalsContact CD2-OE2 3.22Å; L1418-E1422 WeakPolarHBondContact CD2-OE2 3.37Å; S1419-E1422 PolarHBondContact O-N 3.06Å; S1420-E1422 VanDerWaalsContact C-N 3.29Å; S1420-E1422 PolarHBondContact O-N 3.21Å; E1422-S1424 PolarHBondContact O-N 2.89Å
1423R50.5Low58.3Low73 Ų7362.7 Ų62.728%0.27534%0.342SS..  trans-74.929.4165.8-67.1-176.5167.6131.5-0.4113.1E510 Q1354 S1420 G1425E510-R1423 IonicContact OE1-CZ 3.3Å; E510-R1423 VanDerWaalsContact OE1-CZ 3.27Å; E510-R1423 IonicContact OE1-NH1 2.72Å; E510-R1423 PolarHBondContact OE1-NH1 2.97Å; E510-R1423 IonicContact OE1-NH2 2.71Å; E510-R1423 PolarHBondContact OE1-NH2 3.3Å; E510-R1423 IonicContact OE2-CZ 3.05Å; E510-R1423 IonicContact OE2-NH1 3.71Å; E510-R1423 IonicContact OE2-NH2 3.7Å; E510-R1423 PolarHBondContact OE2-NH2 3.36Å; Q1354-R1423 VanDerWaalsContact OE1-CZ 3.26Å; Q1354-R1423 VanDerWaalsContact OE1-NH2 3.1Å; S1420-R1423 WeakPolarHBondContact O-CB 3.37Å; S1420-R1423 PolarHBondContact O-N 3.15Å; S1420-R1423 VanDerWaalsContact O-N 3.14Å; R1423-G1425 PolarHBondContact O-N 2.89Å; R1423-G1425 VanDerWaalsContact O-N 3.17Å
1424S55Low61.1Low52 Ų5254.1 Ų54.136%0.36431%0.314SS..  trans-56.9120.5174.3-179.90000109.8E1422 V1426 W1427E1422-S1424 PolarHBondContact O-N 2.89Å; S1424-V1426 PolarHBondContact O-N 3.35Å; S1424-V1426 WeakPolarHBondContact OG-CG2 3.44Å; S1424-W1427 PolarHBondContact O-N 3.25Å
1425G67.5Low63.7Low12 Ų1254.2 Ų54.212%0.12430%0.3CS..Hα-helixtrans-52.6-21.7-177.200000114.4L1352 R1423 W1427 L1428 V1429L1352-G1425 WeakPolarHBondContact O-CA 3.38Å; R1423-G1425 PolarHBondContact O-N 2.89Å; R1423-G1425 VanDerWaalsContact O-N 3.17Å; G1425-W1427 VanDerWaalsContact C-N 3.31Å; G1425-W1427 PolarHBondContact O-N 3.08Å; G1425-L1428 CarbonylContact O-C 3.45Å; G1425-L1428 WeakPolarHBondContact O-CA 3.48Å; G1425-L1428 WeakPolarHBondContact O-CB 3.46Å; G1425-L1428 PolarHBondContact O-N 2.9Å; G1425-V1429 WeakPolarHBondContact O-CG2 3.43Å; G1425-V1429 PolarHBondContact O-N 2.88Å
1426V80.9Confident66.6Low14 Ų1445.2 Ų45.29%0.08526%0.261CS..Hα-helixtrans-51.9-42.1170.1-175.20000112.9V1390 F1391 S1424 L1428 V1429 P1481V1390-V1426 HydrophobicContact CG1-CG2 4.21Å; F1391-V1426 HydrophobicContact CD1-CG1 3.57Å; F1391-V1426 HydrophobicContact CE1-CG1 3.21Å; F1391-V1426 HydrophobicContact CG-CG1 4.36Å; F1391-V1426 HydrophobicContact CZ-CG1 3.75Å; F1391-V1426 WeakPolarHBondContact CZ-O 3.39Å; S1424-V1426 PolarHBondContact O-N 3.35Å; S1424-V1426 WeakPolarHBondContact OG-CG2 3.44Å; V1426-L1428 VanDerWaalsContact C-N 3.28Å; V1426-L1428 PolarHBondContact O-N 3.3Å; V1426-V1429 PolarHBondContact O-N 3.49Å; V1426-P1481 HydrophobicContact CG1-CB 4.18Å; V1426-P1481 HydrophobicContact CG1-CG 3.93Å
1427W80.6Confident69.1Low37 Ų3744.4 Ų44.414%0.1426%0.256CS..Hα-helixtrans-69.2-27.1175-82100.9000112.6I454 S1424 G1425 P1431 Q1480 P1481I454-W1427 HydrophobicContact CD1-CB 3.9Å; I454-W1427 HydrophobicContact CD1-CD2 4.34Å; I454-W1427 HydrophobicContact CD1-CG 4.01Å; S1424-W1427 PolarHBondContact O-N 3.25Å; G1425-W1427 VanDerWaalsContact C-N 3.31Å; G1425-W1427 PolarHBondContact O-N 3.08Å; W1427-P1431 WeakPolarHBondContact O-CD 3.4Å; W1427-Q1480 HydrophobicContact CH2-CB 3.84Å; W1427-Q1480 HydrophobicContact CZ2-CB 4.07Å; W1427-P1481 HydrophobicContact CD2-CB 3.78Å; W1427-P1481 HydrophobicContact CD2-CG 4.25Å; W1427-P1481 HydrophobicContact CE3-CB 4.04Å; W1427-P1481 HydrophobicContact CG-CB 4.07Å; W1427-P1481 HydrophobicContact CG-CG 4.47Å; W1427-P1481 HydrophobicContact CZ2-CG 4.46Å
1428L85Confident71.3Confident6 Ų646.1 Ų46.13%0.03127%0.267CS..Hα-helixtrans-81.8-20.1179.7-52.5-179.8000112.5I454 L458 L1352 D1353 M1357 G1425 V1426 A1430 P1431 L1432I454-L1428 HydrophobicContact CG2-CD2 4Å; L458-L1428 HydrophobicContact CD1-CD2 3.85Å; L458-L1428 HydrophobicContact CD2-CD2 4.15Å; L458-L1428 HydrophobicContact CG-CD2 4.35Å; L1352-L1428 HydrophobicContact CB-CB 4.29Å; L1352-L1428 HydrophobicContact CB-CD1 4.33Å; L1352-L1428 HydrophobicContact CD1-CB 4.49Å; D1353-L1428 VanDerWaalsContact CA-CD1 3.43Å; M1357-L1428 HydrophobicContact CG-CB 4.29Å; M1357-L1428 HydrophobicContact CG-CD1 4.26Å; M1357-L1428 HydrophobicContact SD-CB 3.96Å; G1425-L1428 CarbonylContact O-C 3.45Å; G1425-L1428 WeakPolarHBondContact O-CA 3.48Å; G1425-L1428 WeakPolarHBondContact O-CB 3.46Å; G1425-L1428 PolarHBondContact O-N 2.9Å; V1426-L1428 VanDerWaalsContact C-N 3.28Å; V1426-L1428 PolarHBondContact O-N 3.3Å; L1428-A1430 VanDerWaalsContact C-N 3.33Å; L1428-A1430 PolarHBondContact O-N 3Å; L1428-P1431 WeakPolarHBondContact O-CD 3.38Å; L1428-L1432 VanDerWaalsContact O-CB 3.32Å; L1428-L1432 WeakPolarHBondContact O-CB 3.45Å; L1428-L1432 PolarHBondContact O-N 3.38Å
1429V89.1Confident73.4Confident0 Ų046.9 Ų46.90%028%0.275CS..Hα-helixtrans-59.4-41.1176.3-177.30000111.8L1349 L1352 T1387 V1390 F1391 G1425 V1426 L1432 I1433 L1485L1349-V1429 HydrophobicContact CD2-CG1 4.44Å; L1352-V1429 HydrophobicContact CD1-CG2 3.84Å; T1387-V1429 HydrophobicContact CG2-CG1 3.87Å; V1390-V1429 HydrophobicContact CG1-CG2 4.49Å; F1391-V1429 HydrophobicContact CE2-CB 4.07Å; F1391-V1429 HydrophobicContact CE2-CG1 3.99Å; F1391-V1429 HydrophobicContact CE2-CG2 4.46Å; F1391-V1429 HydrophobicContact CZ-CB 4.3Å; G1425-V1429 WeakPolarHBondContact O-CG2 3.43Å; G1425-V1429 PolarHBondContact O-N 2.88Å; V1426-V1429 PolarHBondContact O-N 3.49Å; V1429-L1432 PolarHBondContact O-N 3.42Å; V1429-I1433 HydrophobicContact CG1-CG1 4.04Å; V1429-I1433 WeakPolarHBondContact O-CB 3.49Å; V1429-I1433 VanDerWaalsContact O-CG1 3.28Å; V1429-I1433 WeakPolarHBondContact O-CG1 3.46Å; V1429-I1433 PolarHBondContact O-N 2.88Å; V1429-L1485 HydrophobicContact CG1-CD1 4.37Å
1430A85.2Confident75.7Confident1 Ų143.5 Ų43.51%0.00825%0.251CS..Hα-helixtrans-66.4-50-179.600000112.6L1428 L1432 I1433 A1434 L1485L1428-A1430 VanDerWaalsContact C-N 3.33Å; L1428-A1430 PolarHBondContact O-N 3Å; A1430-L1432 VanDerWaalsContact C-N 3.3Å; A1430-L1432 PolarHBondContact O-N 3.43Å; A1430-I1433 PolarHBondContact O-N 2.89Å; A1430-A1434 PolarHBondContact O-N 3.03Å; A1430-L1485 HydrophobicContact CB-CB 4.2Å; A1430-L1485 HydrophobicContact CB-CD1 4.36Å
1431P83.7Confident77.9Confident39 Ų3939.4 Ų39.425%0.25322%0.221SC..Hα-helixtrans-54.8-37.5167.7-28.735.6000114.7L458 M1357 W1427 L1428 A1434 K1435L458-P1431 HydrophobicContact CD1-CB 3.81Å; L458-P1431 HydrophobicContact CD1-CG 3.76Å; M1357-P1431 HydrophobicContact CE-CB 3.94Å; W1427-P1431 WeakPolarHBondContact O-CD 3.4Å; L1428-P1431 WeakPolarHBondContact O-CD 3.38Å; P1431-A1434 WeakPolarHBondContact O-CB 3.22Å; P1431-A1434 PolarHBondContact O-N 3.35Å; P1431-K1435 PolarHBondContact O-N 2.99Å
1432L88.7Confident80.3Confident0 Ų032.4 Ų32.40%019%0.186CC..Hα-helixtrans-65.3-51.6177.8-178.466.9000111.6L1349 L1352 M1357 S1361 L1364 L1428 V1429 A1430 A1434 K1435 L1436L1349-L1432 HydrophobicContact CD2-CD2 3.61Å; L1352-L1432 HydrophobicContact CD1-CD2 3.75Å; L1352-L1432 HydrophobicContact CD2-CD2 4Å; L1352-L1432 HydrophobicContact CG-CD2 4.43Å; M1357-L1432 HydrophobicContact CE-CB 4.23Å; M1357-L1432 HydrophobicContact SD-CB 3.93Å; M1357-L1432 HydrophobicContact SD-CD1 4.21Å; S1361-L1432 VanDerWaalsContact CA-CD1 3.48Å; L1364-L1432 HydrophobicContact CD1-CD2 3.83Å; L1364-L1432 HydrophobicContact CD1-CG 4.31Å; L1428-L1432 VanDerWaalsContact O-CB 3.32Å; L1428-L1432 WeakPolarHBondContact O-CB 3.45Å; L1428-L1432 PolarHBondContact O-N 3.38Å; V1429-L1432 PolarHBondContact O-N 3.42Å; A1430-L1432 VanDerWaalsContact C-N 3.3Å; A1430-L1432 PolarHBondContact O-N 3.43Å; L1432-A1434 PolarHBondContact O-N 3.31Å; L1432-K1435 PolarHBondContact O-N 2.92Å; L1432-L1436 PolarHBondContact O-N 3.18Å
1433I90.1Very high82.2Confident0 Ų030.2 Ų30.20%018%0.175CC..Hα-helixtrans-63.6-27.5178.5-63.5-60.5000111.3I1383 V1429 A1430 K1435 L1436 V1440 Q1441 V1444 L1485I1383-I1433 HydrophobicContact CG2-CD1 4.44Å; V1429-I1433 HydrophobicContact CG1-CG1 4.04Å; V1429-I1433 WeakPolarHBondContact O-CB 3.49Å; V1429-I1433 VanDerWaalsContact O-CG1 3.28Å; V1429-I1433 WeakPolarHBondContact O-CG1 3.46Å; V1429-I1433 PolarHBondContact O-N 2.88Å; A1430-I1433 PolarHBondContact O-N 2.89Å; I1433-K1435 VanDerWaalsContact C-N 3.27Å; I1433-K1435 PolarHBondContact O-N 2.71Å; I1433-L1436 HydrophobicContact CD1-CD1 3.78Å; I1433-L1436 PolarHBondContact O-N 3.45Å; I1433-V1440 HydrophobicContact CD1-CG1 4.34Å; I1433-Q1441 HydrophobicContact CG2-CG 3.96Å; I1433-Q1441 PolarHBondContact O-NE2 3.42Å; I1433-V1444 HydrophobicContact CD1-CG2 4.43Å; I1433-V1444 HydrophobicContact CG2-CG2 4.23Å; I1433-L1485 HydrophobicContact CB-CD1 4.06Å; I1433-L1485 HydrophobicContact CG1-CD1 3.98Å; I1433-L1485 HydrophobicContact CG2-CD1 4.26Å
1434A85Confident84.1Confident48 Ų4826.8 Ų26.840%0.39716%0.163SC..Hα-helixtrans-61.5-31.4171.400000113.5A1430 P1431 L1432 Q1441 T1488A1430-A1434 PolarHBondContact O-N 3.03Å; P1431-A1434 WeakPolarHBondContact O-CB 3.22Å; P1431-A1434 PolarHBondContact O-N 3.35Å; L1432-A1434 PolarHBondContact O-N 3.31Å; A1434-Q1441 PolarHBondContact O-NE2 2.95Å; A1434-T1488 HydrophobicContact CB-CG2 3.64Å
1435K83.9Confident85.6Confident80 Ų8024.6 Ų24.635%0.34815%0.147SC..THydrogen-bonded Turntrans-90.2-0.1179.2-62.1-171.6-176.5-166.50114E462 Q1365 P1431 L1432 I1433E462-K1435 IonicContact OE1-NZ 2.77Å; E462-K1435 PolarHBondContact OE1-NZ 3.39Å; E462-K1435 IonicContact OE2-NZ 3.44Å; E462-K1435 PolarHBondContact OE2-NZ 2.94Å; Q1365-K1435 PolarHBondContact NE2-O 3.03Å; P1431-K1435 PolarHBondContact O-N 2.99Å; L1432-K1435 PolarHBondContact O-N 2.92Å; I1433-K1435 VanDerWaalsContact C-N 3.27Å; I1433-K1435 PolarHBondContact O-N 2.71Å
1436L87.5Confident86.6Confident7 Ų728.1 Ų28.14%0.03716%0.159CC..SBendtrans-92.3159.1173.2-60.9-173.1000111.4L1364 Q1365 I1368 L1432 I1433 V1440 Q1441L1364-L1436 HydrophobicContact CB-CD1 4.22Å; L1364-L1436 HydrophobicContact CB-CD2 3.93Å; L1364-L1436 HydrophobicContact CD1-CD1 3.98Å; Q1365-L1436 HydrophobicContact CG-CD2 3.77Å; I1368-L1436 HydrophobicContact CD1-CD1 4.49Å; I1368-L1436 HydrophobicContact CD1-CD2 4.47Å; L1432-L1436 PolarHBondContact O-N 3.18Å; I1433-L1436 HydrophobicContact CD1-CD1 3.78Å; I1433-L1436 PolarHBondContact O-N 3.45Å; L1436-V1440 HydrophobicContact CB-CB 4.17Å; L1436-V1440 HydrophobicContact CB-CG1 4.43Å; L1436-V1440 HydrophobicContact CB-CG2 4.05Å; L1436-V1440 HydrophobicContact CD1-CG1 4.02Å; L1436-V1440 HydrophobicContact CD1-CG2 4.44Å; L1436-Q1441 PolarHBondContact O-NE2 2.88Å
1437P85.5Confident86.9Confident55 Ų5528 Ų2836%0.35716%0.159SC..  trans-52.8145.3176.4-28.236.5000113I1368 S1439 V1440I1368-P1437 HydrophobicContact CG2-CG 4.43Å; P1437-S1439 PolarHBondContact O-N 3.48Å; P1437-V1440 WeakPolarHBondContact O-CB 3.25Å; P1437-V1440 PolarHBondContact O-N 3.26Å
1438T85Confident87.1Confident88 Ų8826.2 Ų26.254%0.5415%0.153SC..Hα-helixtrans-58.3-23.6-178.151.30000113.4V1440 Q1441 G1442 Q1493T1438-V1440 VanDerWaalsContact C-N 3.29Å; T1438-V1440 PolarHBondContact O-N 2.93Å; T1438-Q1441 PolarHBondContact O-N 3.37Å; T1438-G1442 PolarHBondContact O-N 2.88Å; T1438-Q1493 PolarHBondContact O-NE2 3.04Å
1439S86.4Confident86.9Confident53 Ų5326.4 Ų26.437%0.37116%0.156SC..Hα-helixtrans-60.7-33.9170.853.10000113.4P1437 H1443P1437-S1439 PolarHBondContact O-N 3.48Å; S1439-H1443 PolarHBondContact O-N 2.63Å; S1439-H1443 PolarHBondContact O-ND1 2.82Å
1440V89.9Confident86.5Confident0 Ų030 Ų300%017%0.173CC..Hα-helixtrans-67.9-48.4172.7-175.30000110I1368 L1380 I1383 I1433 L1436 P1437 T1438 G1442 H1443 V1444I1368-V1440 HydrophobicContact CD1-CG2 3.58Å; L1380-V1440 HydrophobicContact CD2-CB 4.27Å; L1380-V1440 HydrophobicContact CD2-CG2 3.48Å; L1380-V1440 VanDerWaalsContact CD2-CG2 3.48Å; I1383-V1440 HydrophobicContact CG2-CG1 3.76Å; I1433-V1440 HydrophobicContact CD1-CG1 4.34Å; L1436-V1440 HydrophobicContact CB-CB 4.17Å; L1436-V1440 HydrophobicContact CB-CG1 4.43Å; L1436-V1440 HydrophobicContact CB-CG2 4.05Å; L1436-V1440 HydrophobicContact CD1-CG1 4.02Å; L1436-V1440 HydrophobicContact CD1-CG2 4.44Å; P1437-V1440 WeakPolarHBondContact O-CB 3.25Å; P1437-V1440 PolarHBondContact O-N 3.26Å; T1438-V1440 VanDerWaalsContact C-N 3.29Å; T1438-V1440 PolarHBondContact O-N 2.93Å; V1440-G1442 VanDerWaalsContact C-N 3.27Å; V1440-G1442 PolarHBondContact O-N 3.47Å; V1440-H1443 PolarHBondContact O-N 2.95Å; V1440-V1444 HydrophobicContact CG1-CG2 4.13Å; V1440-V1444 WeakPolarHBondContact O-CG2 3.36Å; V1440-V1444 PolarHBondContact O-N 3.43Å
1441Q89.5Confident86.2Confident14 Ų1431.8 Ų31.87%0.06518%0.181CC..Hα-helixtrans-58.3-39.4-179.1-64.9167.52.400111.7I1433 A1434 L1436 T1438 L1445 C1489I1433-Q1441 HydrophobicContact CG2-CG 3.96Å; I1433-Q1441 PolarHBondContact O-NE2 3.42Å; A1434-Q1441 PolarHBondContact O-NE2 2.95Å; L1436-Q1441 PolarHBondContact O-NE2 2.88Å; T1438-Q1441 PolarHBondContact O-N 3.37Å; Q1441-L1445 WeakPolarHBondContact O-CB 3.23Å; Q1441-L1445 PolarHBondContact O-N 3.05Å; Q1441-C1489 HydrophobicContact CB-CB 4.12Å
1442G87.7Confident85.7Confident6 Ų630.4 Ų30.46%0.06217%0.171CC..Hα-helixtrans-64.1-39.2172.800000114.1T1438 V1440 L1445 K1446T1438-G1442 PolarHBondContact O-N 2.88Å; V1440-G1442 VanDerWaalsContact C-N 3.27Å; V1440-G1442 PolarHBondContact O-N 3.47Å; G1442-L1445 WeakPolarHBondContact O-CB 3.31Å; G1442-L1445 PolarHBondContact O-N 3.13Å; G1442-K1446 PolarHBondContact O-N 2.94Å
1443H90.2Very high84.8Confident49 Ų4934 Ų3423%0.22719%0.188CC..Hα-helixtrans-72-38.9175.7-77.580.5000112.5L1380 A1384 S1439 V1440 L1445 K1446 A1447L1380-H1443 HydrophobicContact CB-CB 4.24Å; A1384-H1443 HydrophobicContact CB-CB 4.03Å; A1384-H1443 WeakPolarHBondContact CB-O 3.32Å; S1439-H1443 PolarHBondContact O-N 2.63Å; S1439-H1443 PolarHBondContact O-ND1 2.82Å; V1440-H1443 PolarHBondContact O-N 2.95Å; H1443-L1445 VanDerWaalsContact C-N 3.31Å; H1443-L1445 PolarHBondContact O-N 2.92Å; H1443-K1446 PolarHBondContact O-N 2.7Å; H1443-A1447 PolarHBondContact O-N 3.11Å
1444V90.5Very high83.8Confident2 Ų239.3 Ų39.31%0.01221%0.211CC..Hα-helixtrans-60.4-42.7172.4172.40000110.4A1384 T1387 I1433 V1440 A1447 A1448 L1485A1384-V1444 HydrophobicContact CB-CG2 4.15Å; T1387-V1444 HydrophobicContact CG2-CG1 4.15Å; I1433-V1444 HydrophobicContact CD1-CG2 4.43Å; I1433-V1444 HydrophobicContact CG2-CG2 4.23Å; V1440-V1444 HydrophobicContact CG1-CG2 4.13Å; V1440-V1444 WeakPolarHBondContact O-CG2 3.36Å; V1440-V1444 PolarHBondContact O-N 3.43Å; V1444-A1447 PolarHBondContact O-N 3.41Å; V1444-A1448 WeakPolarHBondContact O-CB 3.45Å; V1444-A1448 PolarHBondContact O-N 3.41Å; V1444-L1485 HydrophobicContact CG1-CD1 4.09Å; V1444-L1485 HydrophobicContact CG1-CD2 3.87Å; V1444-L1485 HydrophobicContact CG1-CG 4Å
1445L86.9Confident82.4Confident5 Ų538.3 Ų38.33%0.02621%0.206CC..Hα-helixtrans-60.3-45.8173.1-105.5165.3000113.1Q1441 G1442 H1443 A1448 G1449 V1486 C1489 L1490 Q1493 Q1496 L1500Q1441-L1445 WeakPolarHBondContact O-CB 3.23Å; Q1441-L1445 PolarHBondContact O-N 3.05Å; G1442-L1445 WeakPolarHBondContact O-CB 3.31Å; G1442-L1445 PolarHBondContact O-N 3.13Å; H1443-L1445 VanDerWaalsContact C-N 3.31Å; H1443-L1445 PolarHBondContact O-N 2.92Å; L1445-A1448 PolarHBondContact O-N 2.9Å; L1445-G1449 PolarHBondContact O-N 3.39Å; L1445-V1486 HydrophobicContact CD2-CG1 4.05Å; L1445-C1489 HydrophobicContact CD1-CB 3.89Å; L1445-C1489 VanDerWaalsContact CD1-O 3.31Å; L1445-C1489 WeakPolarHBondContact CD1-O 3.17Å; L1445-C1489 HydrophobicContact CG-CB 3.81Å; L1445-L1490 HydrophobicContact CD1-CD2 3.87Å; L1445-L1490 HydrophobicContact CD1-CG 4.14Å; L1445-L1490 HydrophobicContact CD2-CD2 3.81Å; L1445-L1490 HydrophobicContact CD2-CG 4.04Å; L1445-L1490 HydrophobicContact CG-CD2 4.49Å; L1445-Q1493 HydrophobicContact CD1-CB 3.8Å; L1445-Q1493 HydrophobicContact CD1-CG 3.93Å; L1445-Q1496 HydrophobicContact CB-CB 4.44Å; L1445-Q1496 HydrophobicContact CD1-CB 4.42Å; L1445-L1500 HydrophobicContact CD2-CD2 3.75Å
1446K86.7Confident80.6Confident86 Ų8636.9 Ų36.937%0.37420%0.2SC..Hα-helixtrans-60.4-46.8177-179.4175.8176.8-69.40111.3G1442 H1443 G1449 E1450G1442-K1446 PolarHBondContact O-N 2.94Å; H1443-K1446 PolarHBondContact O-N 2.7Å; K1446-G1449 PolarHBondContact O-N 3.43Å; K1446-E1450 WeakPolarHBondContact CE-OE1 3.46Å; K1446-E1450 IonicContact NZ-OE1 2.7Å; K1446-E1450 PolarHBondContact NZ-OE1 2.98Å; K1446-E1450 WeakPolarHBondContact O-CG 3.42Å; K1446-E1450 PolarHBondContact O-N 2.87Å
1447A88.2Confident78.4Confident11 Ų1143.5 Ų43.59%0.09123%0.231CC..Hα-helixtrans-65.2-38.9177.400000112.7A1384 I1388 H1443 V1444 E1450 E1451A1384-A1447 HydrophobicContact CB-CB 3.87Å; I1388-A1447 HydrophobicContact CG1-CB 3.9Å; H1443-A1447 PolarHBondContact O-N 3.11Å; V1444-A1447 PolarHBondContact O-N 3.41Å; A1447-E1450 PolarHBondContact O-N 2.81Å; A1447-E1451 PolarHBondContact O-N 3.28Å
1448A85.4Confident76Confident1 Ų143.5 Ų43.51%0.00823%0.227CC..Hα-helixtrans-63.5-41.7172.800000111.8I1388 V1444 L1445 E1451 L1452 F1482 V1486I1388-A1448 HydrophobicContact CD1-CB 3.94Å; V1444-A1448 WeakPolarHBondContact O-CB 3.45Å; V1444-A1448 PolarHBondContact O-N 3.41Å; L1445-A1448 PolarHBondContact O-N 2.9Å; A1448-E1451 PolarHBondContact O-N 3.34Å; A1448-L1452 VanDerWaalsContact O-CG 3.23Å; A1448-L1452 WeakPolarHBondContact O-CG 3.36Å; A1448-L1452 PolarHBondContact O-N 3.47Å; A1448-F1482 HydrophobicContact CB-CZ 4.16Å; A1448-V1486 HydrophobicContact CB-CG2 4Å
1449G79Confident73.4Confident10 Ų1042.6 Ų42.610%0.10324%0.235CC..Hα-helixtrans-60-49.2173.900000112.6L1445 K1446 E1451 L1452 E1453L1445-G1449 PolarHBondContact O-N 3.39Å; K1446-G1449 PolarHBondContact O-N 3.43Å; G1449-E1451 VanDerWaalsContact C-N 3.29Å; G1449-E1451 PolarHBondContact O-N 3.41Å; G1449-L1452 WeakPolarHBondContact O-CB 3.36Å; G1449-L1452 PolarHBondContact O-N 3.28Å; G1449-L1452 VanDerWaalsContact O-N 3.13Å; G1449-E1453 PolarHBondContact O-N 2.86Å
1450E82.5Confident70.8Confident74 Ų7446.4 Ų46.435%0.34626%0.262SS..Hα-helixtrans-58.5-38.5175.6-73.9172.4-16200112.4K1446 A1447 E1453 K1454K1446-E1450 WeakPolarHBondContact CE-OE1 3.46Å; K1446-E1450 IonicContact NZ-OE1 2.7Å; K1446-E1450 PolarHBondContact NZ-OE1 2.98Å; K1446-E1450 WeakPolarHBondContact O-CG 3.42Å; K1446-E1450 PolarHBondContact O-N 2.87Å; A1447-E1450 PolarHBondContact O-N 2.81Å; E1450-E1453 PolarHBondContact O-N 3.2Å; E1450-K1454 WeakPolarHBondContact O-CG 3.23Å; E1450-K1454 PolarHBondContact O-N 3.13Å
1451E78.3Confident68Low39 Ų3950.7 Ų50.718%0.18229%0.292CS..Hα-helixtrans-70-32.7177.1-14963.3-142.300112.8I1388 Q1392 A1447 A1448 G1449 K1454 L1476I1388-E1451 HydrophobicContact CG2-CB 4.28Å; I1388-E1451 HydrophobicContact CG2-CG 4Å; Q1392-E1451 PolarHBondContact NE2-OE1 2.83Å; Q1392-E1451 VanDerWaalsContact NE2-OE1 3.1Å; A1447-E1451 PolarHBondContact O-N 3.28Å; A1448-E1451 PolarHBondContact O-N 3.34Å; G1449-E1451 VanDerWaalsContact C-N 3.29Å; G1449-E1451 PolarHBondContact O-N 3.41Å; E1451-K1454 WeakPolarHBondContact OE1-CD 3.34Å; E1451-K1454 IonicContact OE1-NZ 2.7Å; E1451-K1454 IonicContact OE2-NZ 3.71Å; E1451-K1454 PolarHBondContact OE2-NZ 3.19Å; E1451-L1476 HydrophobicContact CG-CD1 4.07Å
1452L73.2Confident65.7Low10 Ų1054 Ų545%0.05232%0.316CS..Hα-helixtrans-69.8-32.5172.8-66.8165.2000112.1A1448 G1449 L1477 L1500A1448-L1452 VanDerWaalsContact O-CG 3.23Å; A1448-L1452 WeakPolarHBondContact O-CG 3.36Å; A1448-L1452 PolarHBondContact O-N 3.47Å; G1449-L1452 WeakPolarHBondContact O-CB 3.36Å; G1449-L1452 PolarHBondContact O-N 3.28Å; G1449-L1452 VanDerWaalsContact O-N 3.13Å; L1452-L1477 HydrophobicContact CD2-CD1 3.7Å; L1452-L1477 HydrophobicContact CD2-CD2 3.69Å; L1452-L1477 HydrophobicContact CD2-CG 3.67Å; L1452-L1500 HydrophobicContact CD1-CD1 4.16Å
1453E70.4Confident63.8Low75 Ų7564.1 Ų64.135%0.3535%0.353SS..Hα-helixtrans-75.7-28.8177.7-72.2-167.6165.300114.3G1449 E1450 G1455 Q1456 S1503G1449-E1453 PolarHBondContact O-N 2.86Å; E1450-E1453 PolarHBondContact O-N 3.2Å; E1453-G1455 PolarHBondContact O-N 3.3Å; E1453-Q1456 WeakPolarHBondContact O-CB 3.37Å; E1453-Q1456 PolarHBondContact O-N 3.38Å; E1453-S1503 VanDerWaalsContact CD-OG 3.28Å; E1453-S1503 WeakPolarHBondContact CG-OG 3.48Å; E1453-S1503 WeakPolarHBondContact OE1-CB 3.39Å; E1453-S1503 PolarHBondContact OE1-OG 2.92Å
1454K67.5Low61.9Low113 Ų11370.6 Ų70.649%0.49138%0.38SS..THydrogen-bonded Turntrans-56.6-21.6175.9-74.9168.1-166.91720113.3E1450 E1451 Q1456E1450-K1454 WeakPolarHBondContact O-CG 3.23Å; E1450-K1454 PolarHBondContact O-N 3.13Å; E1451-K1454 WeakPolarHBondContact OE1-CD 3.34Å; E1451-K1454 IonicContact OE1-NZ 2.7Å; E1451-K1454 IonicContact OE2-NZ 3.71Å; E1451-K1454 PolarHBondContact OE2-NZ 3.19Å; K1454-Q1456 VanDerWaalsContact C-N 3.31Å; K1454-Q1456 PolarHBondContact O-N 3.37Å
1455G56.1Low59.9Low27 Ų2775 Ų7528%0.27840%0.401SS..THydrogen-bonded Turntrans-69-19.2171.800000115.5E1453E1453-G1455 PolarHBondContact O-N 3.3Å
1456Q47.2Very low58.1Low50 Ų5079.9 Ų79.923%0.23442%0.419CS..THydrogen-bonded Turntrans-88.5-38.5-177.4-57.6-160.3-84.900113.6E1453 K1454 L1458 S1506 Q1507E1453-Q1456 WeakPolarHBondContact O-CB 3.37Å; E1453-Q1456 PolarHBondContact O-N 3.38Å; K1454-Q1456 VanDerWaalsContact C-N 3.31Å; K1454-Q1456 PolarHBondContact O-N 3.37Å; Q1456-L1458 PolarHBondContact O-N 3.13Å; Q1456-S1506 PolarHBondContact NE2-O 2.83Å; Q1456-S1506 PolarHBondContact NE2-OG 3.45Å; Q1456-S1506 PolarHBondContact OE1-OG 2.52Å; Q1456-Q1507 HydrophobicContact CG-CG 3.96Å
1457H40.1Very low56.4Low146 Ų14680.5 Ų80.568%0.67643%0.426SS*.  trans-96.554.9-161.3-67.6-74.3000115
1458L35.6Very low55Low55 Ų5587.7 Ų87.729%0.28845%0.451SS..  trans-118.268.5173.7-71178.6000113.1Q1456 R1466 Q1469Q1456-L1458 PolarHBondContact O-N 3.13Å; L1458-R1466 HydrophobicContact CB-CG 4.38Å; L1458-R1466 HydrophobicContact CD1-CG 4.33Å; L1458-R1466 PolarHBondContact O-NE 3.5Å; L1458-R1466 VanDerWaalsContact O-NE 3.12Å; L1458-R1466 PolarHBondContact O-NH2 3.41Å; L1458-Q1469 HydrophobicContact CD1-CB 4.25Å; L1458-Q1469 HydrophobicContact CD1-CG 4.45Å
1459G31.4Very low53.5Low68 Ų6892 Ų9270%0.70147%0.471SS*.  trans-88.8138.5150.300000109.8
1460S31Very low52.2Low134 Ų13494.8 Ų94.894%0.93748%0.48SS*.SBendtrans68.358.4175.7-161.30000117.6
1461S30.7Very low51Low90 Ų9098.2 Ų98.263%0.62950%0.496SS*.SBendtrans-148.8172.1152.1-165.40000111.9
1462S41Very low50.1Low82 Ų8299.9 Ų99.957%0.57350%0.503SS*.  trans-60.4144.6-169.7-173.70000113.9K1464 E1465 R1466S1462-K1464 VanDerWaalsContact C-N 3.28Å; S1462-K1464 PolarHBondContact O-N 3.34Å; S1462-E1465 PolarHBondContact O-N 3.33Å; S1462-E1465 VanDerWaalsContact O-N 3.16Å; S1462-R1466 PolarHBondContact O-N 3.48Å
1463R49Very low49.5Very low220 Ų220100.5 Ų100.583%0.8351%0.508SS*.Hα-helixtrans-58.9-34.3-172-158.8174.8-172.7172.92.3113.4
1464K50.4Low48.9Very low184 Ų18499.9 Ų99.980%0.851%0.506SS*.Hα-helixtrans-71.7-36.2178.4-83.7-170.4169.8-172.50114S1462S1462-K1464 VanDerWaalsContact C-N 3.28Å; S1462-K1464 PolarHBondContact O-N 3.34Å
1465E47.7Very low48.8Very low94 Ų9495.8 Ų95.844%0.43949%0.491SS..Hα-helixtrans-74.3-34.7-177.1-146.159.4-129.200111.3S1462 D1467 R1468 Q1469S1462-E1465 PolarHBondContact O-N 3.33Å; S1462-E1465 VanDerWaalsContact O-N 3.16Å; E1465-D1467 VanDerWaalsContact C-N 3.3Å; E1465-D1467 PolarHBondContact O-N 3.48Å; E1465-R1468 PolarHBondContact O-N 3.21Å; E1465-Q1469 WeakPolarHBondContact O-CB 3.41Å; E1465-Q1469 PolarHBondContact O-N 3.43Å
1466R48.4Very low49.4Very low108 Ų10895 Ų9541%0.40848%0.481SS..Hα-helixtrans-57.8-40-178.8-156.9-177.7-157.5-144.16.4112.9L1458 S1462 K1470L1458-R1466 HydrophobicContact CB-CG 4.38Å; L1458-R1466 HydrophobicContact CD1-CG 4.33Å; L1458-R1466 PolarHBondContact O-NE 3.5Å; L1458-R1466 VanDerWaalsContact O-NE 3.12Å; L1458-R1466 PolarHBondContact O-NH2 3.41Å; S1462-R1466 PolarHBondContact O-N 3.48Å; R1466-K1470 WeakPolarHBondContact O-CB 3.41Å; R1466-K1470 WeakPolarHBondContact O-CG 3.3Å; R1466-K1470 PolarHBondContact O-N 2.85Å; R1466-K1470 VanDerWaalsContact O-N 3.15Å
1467D52.4Low50.1Low99 Ų9992.7 Ų92.753%0.52947%0.47SS..Hα-helixtrans-74.3-45.2-179.5-63.2-29.4000110.9E1465 Q1469 K1470 Q1471E1465-D1467 VanDerWaalsContact C-N 3.3Å; E1465-D1467 PolarHBondContact O-N 3.48Å; D1467-Q1469 PolarHBondContact O-N 3.3Å; D1467-K1470 PolarHBondContact O-N 2.98Å; D1467-Q1471 WeakPolarHBondContact O-CB 3.38Å; D1467-Q1471 PolarHBondContact O-N 3.38Å
1468R57.4Low51.3Low162 Ų16289.6 Ų89.661%0.61147%0.465SS*.Hα-helixtrans-59.8-44.4177.6-163.9179.8-172.4-167.91.7112E1465 Q1471 K1472E1465-R1468 PolarHBondContact O-N 3.21Å; R1468-Q1471 PolarHBondContact O-N 2.94Å; R1468-K1472 PolarHBondContact O-N 2.92Å; R1468-K1472 VanDerWaalsContact O-N 3.16Å
1469Q53.7Low53Low93 Ų9388.5 Ų88.544%0.43546%0.458SS..Hα-helixtrans-70.4-41.2-179.9-15472.7-8.100112.4L1458 E1465 D1467 Q1471 K1472 S1473L1458-Q1469 HydrophobicContact CD1-CB 4.25Å; L1458-Q1469 HydrophobicContact CD1-CG 4.45Å; E1465-Q1469 WeakPolarHBondContact O-CB 3.41Å; E1465-Q1469 PolarHBondContact O-N 3.43Å; D1467-Q1469 PolarHBondContact O-N 3.3Å; Q1469-Q1471 VanDerWaalsContact C-N 3.31Å; Q1469-Q1471 PolarHBondContact O-N 3.48Å; Q1469-K1472 PolarHBondContact O-N 3.24Å; Q1469-S1473 PolarHBondContact O-N 3.11Å
1470K53.6Low54.9Low67 Ų6789 Ų8929%0.29144%0.442SS..Hα-helixtrans-57.2-46.5171.5-87.4-169.8171.1-168.60110.9R1466 D1467 K1472 S1473 M1474R1466-K1470 WeakPolarHBondContact O-CB 3.41Å; R1466-K1470 WeakPolarHBondContact O-CG 3.3Å; R1466-K1470 PolarHBondContact O-N 2.85Å; R1466-K1470 VanDerWaalsContact O-N 3.15Å; D1467-K1470 PolarHBondContact O-N 2.98Å; K1470-K1472 PolarHBondContact O-N 3.29Å; K1470-S1473 PolarHBondContact O-N 2.93Å; K1470-S1473 PolarHBondContact O-OG 3.32Å; K1470-M1474 VanDerWaalsContact O-CG 3.25Å; K1470-M1474 WeakPolarHBondContact O-CG 3.41Å; K1470-M1474 PolarHBondContact O-N 3.24Å; K1470-M1474 VanDerWaalsContact O-N 3.09Å
1471Q57.2Low56.9Low146 Ų14683.1 Ų83.168%0.68240%0.401SS*.Hα-helixtrans-64.6-36.4-175.9-163.1162.4-14.300112.7D1467 R1468 Q1469 M1474 S1475D1467-Q1471 WeakPolarHBondContact O-CB 3.38Å; D1467-Q1471 PolarHBondContact O-N 3.38Å; R1468-Q1471 PolarHBondContact O-N 2.94Å; Q1469-Q1471 VanDerWaalsContact C-N 3.31Å; Q1469-Q1471 PolarHBondContact O-N 3.48Å; Q1471-M1474 PolarHBondContact O-N 2.98Å; Q1471-S1475 WeakPolarHBondContact O-CB 3.37Å; Q1471-S1475 PolarHBondContact O-N 2.65Å
1472K59Low59.4Low74 Ų7479 Ų7932%0.32237%0.372SS..Hα-helixtrans-59.1-49.8169.8-72.1-166.8178.3-162.40112.6E1396 R1468 Q1469 K1470 M1474 S1475 L1476E1396-K1472 VanDerWaalsContact CD-CE 3.48Å; E1396-K1472 WeakPolarHBondContact OE1-CE 3.29Å; E1396-K1472 IonicContact OE1-NZ 2.94Å; E1396-K1472 PolarHBondContact OE1-NZ 3.31Å; E1396-K1472 WeakPolarHBondContact OE2-CE 3.47Å; E1396-K1472 IonicContact OE2-NZ 3.73Å; E1396-K1472 PolarHBondContact OE2-NZ 3.49Å; R1468-K1472 PolarHBondContact O-N 2.92Å; R1468-K1472 VanDerWaalsContact O-N 3.16Å; Q1469-K1472 PolarHBondContact O-N 3.24Å; K1470-K1472 PolarHBondContact O-N 3.29Å; K1472-M1474 VanDerWaalsContact C-N 3.28Å; K1472-M1474 PolarHBondContact O-N 2.79Å; K1472-S1475 PolarHBondContact O-N 3.12Å; K1472-S1475 VanDerWaalsContact O-N 3.11Å; K1472-L1476 PolarHBondContact O-N 2.82Å
1473S59.3Low61.1Low23 Ų2375.6 Ų75.616%0.16135%0.347CS..Hα-helixtrans-63.8-31.1-178.869.80000113.7Q1469 K1470Q1469-S1473 PolarHBondContact O-N 3.11Å; K1470-S1473 PolarHBondContact O-N 2.93Å; K1470-S1473 PolarHBondContact O-OG 3.32Å
1474M59.1Low62.4Low62 Ų6265.8 Ų65.831%0.30531%0.312SS..Hα-helixtrans-73.7-38.6173.7-61.8-86-73.800111.3K1470 Q1471 K1472 L1477 S1478 L1529 A1533K1470-M1474 VanDerWaalsContact O-CG 3.25Å; K1470-M1474 WeakPolarHBondContact O-CG 3.41Å; K1470-M1474 PolarHBondContact O-N 3.24Å; K1470-M1474 VanDerWaalsContact O-N 3.09Å; Q1471-M1474 PolarHBondContact O-N 2.98Å; K1472-M1474 VanDerWaalsContact C-N 3.28Å; K1472-M1474 PolarHBondContact O-N 2.79Å; M1474-L1477 PolarHBondContact O-N 3.01Å; M1474-S1478 PolarHBondContact O-N 3.4Å; M1474-L1529 HydrophobicContact CE-CB 4.17Å; M1474-L1529 WeakPolarHBondContact CE-O 3.18Å; M1474-A1533 HydrophobicContact CE-CB 3.44Å; M1474-A1533 VanDerWaalsContact CE-CB 3.44Å; M1474-A1533 HydrophobicContact SD-CB 3.45Å; M1474-A1533 WeakPolarHBondContact SD-CB 3.19Å
1475S65.9Low64.1Low27 Ų2757 Ų5719%0.18927%0.274CS..Hα-helixtrans-67.5-40.9180-177.30000112.7Q1471 K1472 L1477 S1478 Q1479Q1471-S1475 WeakPolarHBondContact O-CB 3.37Å; Q1471-S1475 PolarHBondContact O-N 2.65Å; K1472-S1475 PolarHBondContact O-N 3.12Å; K1472-S1475 VanDerWaalsContact O-N 3.11Å; S1475-L1477 VanDerWaalsContact C-N 3.35Å; S1475-L1477 PolarHBondContact O-N 2.67Å; S1475-S1478 WeakPolarHBondContact CA-OG 3.18Å; S1475-S1478 PolarHBondContact O-N 3.3Å; S1475-S1478 PolarHBondContact O-OG 3.07Å; S1475-Q1479 PolarHBondContact O-N 3.47Å
1476L67.2Low65.8Low10 Ų1052.8 Ų52.85%0.05225%0.254CS..Hα-helixtrans-53.8-49172.7-85.7171.1000112.3F1391 Q1392 E1451 K1472 S1478 Q1479F1391-L1476 HydrophobicContact CB-CD2 3.82Å; F1391-L1476 WeakPolarHBondContact O-CD2 3.46Å; Q1392-L1476 HydrophobicContact CG-CD1 4.01Å; Q1392-L1476 HydrophobicContact CG-CD2 4.16Å; Q1392-L1476 HydrophobicContact CG-CG 4.49Å; E1451-L1476 HydrophobicContact CG-CD1 4.07Å; K1472-L1476 PolarHBondContact O-N 2.82Å; L1476-S1478 PolarHBondContact O-N 3.29Å; L1476-Q1479 WeakPolarHBondContact O-CB 3.47Å; L1476-Q1479 PolarHBondContact O-N 3.01Å; L1476-Q1479 VanDerWaalsContact O-N 3.13Å
1477L63Low67.1Low3 Ų349.5 Ų49.52%0.01625%0.245CC..Hα-helixtrans-62.5-30.9177.5-85.6166.7000112.8L1452 M1474 S1475 Q1479 L1536 R1537 L1540L1452-L1477 HydrophobicContact CD2-CD1 3.7Å; L1452-L1477 HydrophobicContact CD2-CD2 3.69Å; L1452-L1477 HydrophobicContact CD2-CG 3.67Å; M1474-L1477 PolarHBondContact O-N 3.01Å; S1475-L1477 VanDerWaalsContact C-N 3.35Å; S1475-L1477 PolarHBondContact O-N 2.67Å; L1477-Q1479 PolarHBondContact O-N 3.14Å; L1477-L1536 HydrophobicContact CB-CD1 4.28Å; L1477-L1536 VanDerWaalsContact O-CD1 3.31Å; L1477-L1536 WeakPolarHBondContact O-CD1 3.27Å; L1477-L1536 VanDerWaalsContact O-CD2 3.31Å; L1477-L1536 WeakPolarHBondContact O-CD2 3.37Å; L1477-R1537 VanDerWaalsContact CD1-NH1 3.33Å; L1477-L1540 HydrophobicContact CD2-CD1 4.06Å
1478S63.9Low68.4Low80 Ų8046.9 Ų46.956%0.55923%0.232SC*.Hα-helixtrans-72.4-9.117770.40000114.4M1474 S1475 L1476M1474-S1478 PolarHBondContact O-N 3.4Å; S1475-S1478 WeakPolarHBondContact CA-OG 3.18Å; S1475-S1478 PolarHBondContact O-N 3.3Å; S1475-S1478 PolarHBondContact O-OG 3.07Å; L1476-S1478 PolarHBondContact O-N 3.29Å
1479Q71.5Confident69.7Low32 Ų3239.1 Ų39.115%0.1520%0.203CC..  trans-82.2116.4173.3-67.4-164.45.900112.2S1394 S1475 L1476 L1477 P1481 F1482 L1483S1394-Q1479 PolarHBondContact OG-NE2 2.87Å; S1394-Q1479 PolarHBondContact OG-OE1 3.15Å; S1394-Q1479 VanDerWaalsContact OG-OE1 3.05Å; S1475-Q1479 PolarHBondContact O-N 3.47Å; L1476-Q1479 WeakPolarHBondContact O-CB 3.47Å; L1476-Q1479 PolarHBondContact O-N 3.01Å; L1476-Q1479 VanDerWaalsContact O-N 3.13Å; L1477-Q1479 PolarHBondContact O-N 3.14Å; Q1479-P1481 HydrophobicContact CB-CG 4.41Å; Q1479-F1482 HydrophobicContact CB-CB 4.01Å; Q1479-F1482 WeakPolarHBondContact O-CB 3.46Å; Q1479-F1482 PolarHBondContact O-N 3.04Å; Q1479-L1483 PolarHBondContact O-N 2.72Å
1480Q71.3Confident70.8Confident79 Ų7935 Ų3537%0.36918%0.184SC..Hα-helixtrans-50.2-45.9169.7-70.2-176.7-49.800114.3K444 W1427 F1482 L1483 S1484K444-Q1480 PolarHBondContact O-NE2 2.86Å; W1427-Q1480 HydrophobicContact CH2-CB 3.84Å; W1427-Q1480 HydrophobicContact CZ2-CB 4.07Å; Q1480-F1482 VanDerWaalsContact C-N 3.27Å; Q1480-F1482 PolarHBondContact O-N 2.92Å; Q1480-L1483 WeakPolarHBondContact O-CB 3.16Å; Q1480-L1483 PolarHBondContact O-N 2.77Å; Q1480-S1484 PolarHBondContact O-N 3.29Å
1481P74.2Confident71.6Confident11 Ų1140.1 Ų40.17%0.07121%0.206CC..Hα-helixtrans-69.4-21.1179.327.1-35.6000113.6F1391 V1426 W1427 Q1479 S1484 L1485F1391-P1481 HydrophobicContact CE1-CB 3.9Å; F1391-P1481 HydrophobicContact CE1-CG 4.17Å; F1391-P1481 WeakPolarHBondContact CE1-O 3.38Å; V1426-P1481 HydrophobicContact CG1-CB 4.18Å; V1426-P1481 HydrophobicContact CG1-CG 3.93Å; W1427-P1481 HydrophobicContact CD2-CB 3.78Å; W1427-P1481 HydrophobicContact CD2-CG 4.25Å; W1427-P1481 HydrophobicContact CE3-CB 4.04Å; W1427-P1481 HydrophobicContact CG-CB 4.07Å; W1427-P1481 HydrophobicContact CG-CG 4.47Å; W1427-P1481 HydrophobicContact CZ2-CG 4.46Å; Q1479-P1481 HydrophobicContact CB-CG 4.41Å; P1481-S1484 WeakPolarHBondContact O-CB 3.3Å; P1481-L1485 PolarHBondContact O-N 3.22Å
1482F82.8Confident72.1Confident4 Ų436 Ų362%0.01820%0.203CC..Hα-helixtrans-73.5-41.7171.7-176.4-106.5000111I1388 F1391 A1448 Q1479 Q1480 S1484 L1485 V1486I1388-F1482 HydrophobicContact CD1-CE2 3.88Å; F1391-F1482 HydrophobicContact CB-CD2 3.97Å; F1391-F1482 HydrophobicContact CD1-CB 3.7Å; F1391-F1482 AromaticContact CD1-CD2 3.96Å; F1391-F1482 HydrophobicContact CD1-CD2 3.96Å; F1391-F1482 HydrophobicContact CD1-CG 4.32Å; F1391-F1482 HydrophobicContact CD2-CD2 4.29Å; F1391-F1482 HydrophobicContact CE1-CB 4.01Å; F1391-F1482 HydrophobicContact CG-CB 4.41Å; F1391-F1482 AromaticContact CG-CD2 3.8Å; F1391-F1482 HydrophobicContact CG-CD2 3.8Å; A1448-F1482 HydrophobicContact CB-CZ 4.16Å; Q1479-F1482 HydrophobicContact CB-CB 4.01Å; Q1479-F1482 WeakPolarHBondContact O-CB 3.46Å; Q1479-F1482 PolarHBondContact O-N 3.04Å; Q1480-F1482 VanDerWaalsContact C-N 3.27Å; Q1480-F1482 PolarHBondContact O-N 2.92Å; F1482-S1484 VanDerWaalsContact C-N 3.29Å; F1482-S1484 PolarHBondContact O-N 3.23Å; F1482-L1485 PolarHBondContact O-N 3.36Å; F1482-V1486 HydrophobicContact CE1-CG2 4.31Å; F1482-V1486 HydrophobicContact CZ-CG2 4.3Å; F1482-V1486 PolarHBondContact O-N 3.42Å
1483L76.4Confident72.9Confident10 Ų1033.9 Ų33.95%0.05220%0.195CC..Hα-helixtrans-61-40.7171.8-17268.3000111.1F442 Q1479 Q1480 V1486 L1487 L1536 L1540F442-L1483 HydrophobicContact CB-CD2 3.89Å; Q1479-L1483 PolarHBondContact O-N 2.72Å; Q1480-L1483 WeakPolarHBondContact O-CB 3.16Å; Q1480-L1483 PolarHBondContact O-N 2.77Å; L1483-V1486 PolarHBondContact O-N 3.15Å; L1483-L1487 HydrophobicContact CD1-CD1 4.49Å; L1483-L1487 HydrophobicContact CD2-CD1 4.47Å; L1483-L1487 HydrophobicContact CG-CD1 3.96Å; L1483-L1487 HydrophobicContact CG-CG 4.45Å; L1483-L1487 WeakPolarHBondContact O-CB 3.42Å; L1483-L1487 WeakPolarHBondContact O-CG 3.33Å; L1483-L1487 PolarHBondContact O-N 3.38Å; L1483-L1536 HydrophobicContact CD1-CD2 4.46Å; L1483-L1536 HydrophobicContact CD2-CD2 4.08Å; L1483-L1540 HydrophobicContact CD1-CD1 4.31Å; L1483-L1540 HydrophobicContact CD1-CD2 3.9Å; L1483-L1540 HydrophobicContact CD1-CG 3.77Å
1484S77Confident73.5Confident14 Ų1436.2 Ų36.210%0.09821%0.205CC..Hα-helixtrans-53.2-56.4172.3-170.70000111.6C445 Q1480 P1481 F1482 V1486 L1487 T1488C445-S1484 WeakPolarHBondContact SG-CB 3.32Å; C445-S1484 PolarHBondContact SG-OG 3.38Å; Q1480-S1484 PolarHBondContact O-N 3.29Å; P1481-S1484 WeakPolarHBondContact O-CB 3.3Å; F1482-S1484 VanDerWaalsContact C-N 3.29Å; F1482-S1484 PolarHBondContact O-N 3.23Å; S1484-V1486 VanDerWaalsContact C-N 3.3Å; S1484-V1486 PolarHBondContact O-N 2.98Å; S1484-L1487 PolarHBondContact O-N 2.99Å; S1484-L1487 VanDerWaalsContact O-N 3.16Å; S1484-T1488 WeakPolarHBondContact O-CB 3.49Å; S1484-T1488 PolarHBondContact O-N 3.01Å; S1484-T1488 PolarHBondContact O-OG1 3.36Å; S1484-T1488 VanDerWaalsContact O-OG1 3.05Å
1485L84.8Confident74.2Confident0 Ų041.7 Ų41.70%023%0.23CC..Hα-helixtrans-52.2-47179.7178.970.7000112.5T1387 F1391 V1429 A1430 I1433 V1444 P1481 F1482 C1489T1387-L1485 HydrophobicContact CG2-CD1 4.25Å; T1387-L1485 HydrophobicContact CG2-CD2 3.51Å; F1391-L1485 HydrophobicContact CD2-CD2 4.15Å; F1391-L1485 HydrophobicContact CE2-CB 4.49Å; F1391-L1485 HydrophobicContact CE2-CD2 3.71Å; F1391-L1485 HydrophobicContact CZ-CB 4.31Å; F1391-L1485 HydrophobicContact CZ-CD2 4.33Å; V1429-L1485 HydrophobicContact CG1-CD1 4.37Å; A1430-L1485 HydrophobicContact CB-CB 4.2Å; A1430-L1485 HydrophobicContact CB-CD1 4.36Å; I1433-L1485 HydrophobicContact CB-CD1 4.06Å; I1433-L1485 HydrophobicContact CG1-CD1 3.98Å; I1433-L1485 HydrophobicContact CG2-CD1 4.26Å; V1444-L1485 HydrophobicContact CG1-CD1 4.09Å; V1444-L1485 HydrophobicContact CG1-CD2 3.87Å; V1444-L1485 HydrophobicContact CG1-CG 4Å; P1481-L1485 PolarHBondContact O-N 3.22Å; F1482-L1485 PolarHBondContact O-N 3.36Å; L1485-C1489 WeakPolarHBondContact O-CB 3.32Å; L1485-C1489 PolarHBondContact O-N 2.98Å; L1485-C1489 PolarHBondContact O-SG 3.23Å
1486V83.1Confident74.7Confident4 Ų443.5 Ų43.52%0.02424%0.235CC..Hα-helixtrans-67.6-45.4-179.1-179.60000111L1445 A1448 F1482 L1483 S1484 T1488 C1489 L1490 L1500 L1540L1445-V1486 HydrophobicContact CD2-CG1 4.05Å; A1448-V1486 HydrophobicContact CB-CG2 4Å; F1482-V1486 HydrophobicContact CE1-CG2 4.31Å; F1482-V1486 HydrophobicContact CZ-CG2 4.3Å; F1482-V1486 PolarHBondContact O-N 3.42Å; L1483-V1486 PolarHBondContact O-N 3.15Å; S1484-V1486 VanDerWaalsContact C-N 3.3Å; S1484-V1486 PolarHBondContact O-N 2.98Å; V1486-T1488 PolarHBondContact O-N 2.99Å; V1486-C1489 PolarHBondContact O-N 3.21Å; V1486-L1490 HydrophobicContact CG1-CD1 4.15Å; V1486-L1490 HydrophobicContact CG1-CG 4.49Å; V1486-L1490 VanDerWaalsContact O-CG 3.25Å; V1486-L1490 WeakPolarHBondContact O-CG 3.41Å; V1486-L1490 PolarHBondContact O-N 2.94Å; V1486-L1500 HydrophobicContact CG1-CD2 4.23Å; V1486-L1540 HydrophobicContact CB-CD2 4.19Å; V1486-L1540 HydrophobicContact CG1-CD2 3.57Å
1487L76.8Confident75.4Confident39 Ų3944.5 Ų44.520%0.20424%0.239CC..Hα-helixtrans-62.4-40.8177.3-70.7173.4000112.3L1483 S1484 L1490L1483-L1487 HydrophobicContact CD1-CD1 4.49Å; L1483-L1487 HydrophobicContact CD2-CD1 4.47Å; L1483-L1487 HydrophobicContact CG-CD1 3.96Å; L1483-L1487 HydrophobicContact CG-CG 4.45Å; L1483-L1487 WeakPolarHBondContact O-CB 3.42Å; L1483-L1487 WeakPolarHBondContact O-CG 3.33Å; L1483-L1487 PolarHBondContact O-N 3.38Å; S1484-L1487 PolarHBondContact O-N 2.99Å; S1484-L1487 VanDerWaalsContact O-N 3.16Å; L1487-L1490 HydrophobicContact CD2-CD1 4.42Å; L1487-L1490 PolarHBondContact O-N 3.47Å
1488T79Confident76.3Confident44 Ų4449.3 Ų49.327%0.2726%0.261SS..Hα-helixtrans-60.3-49173.5-63.80000111.5A1434 S1484 V1486 L1490 K1491A1434-T1488 HydrophobicContact CB-CG2 3.64Å; S1484-T1488 WeakPolarHBondContact O-CB 3.49Å; S1484-T1488 PolarHBondContact O-N 3.01Å; S1484-T1488 PolarHBondContact O-OG1 3.36Å; S1484-T1488 VanDerWaalsContact O-OG1 3.05Å; V1486-T1488 PolarHBondContact O-N 2.99Å; T1488-L1490 VanDerWaalsContact C-N 3.27Å; T1488-L1490 PolarHBondContact O-N 3.36Å; T1488-K1491 PolarHBondContact O-N 3.34Å
1489C85.3Confident77.2Confident0 Ų047.5 Ų47.50%026%0.255CS..Hα-helixtrans-67.9-24-179-66.20000113.4Q1441 L1445 L1485 V1486 K1491 Q1493Q1441-C1489 HydrophobicContact CB-CB 4.12Å; L1445-C1489 HydrophobicContact CD1-CB 3.89Å; L1445-C1489 VanDerWaalsContact CD1-O 3.31Å; L1445-C1489 WeakPolarHBondContact CD1-O 3.17Å; L1445-C1489 HydrophobicContact CG-CB 3.81Å; L1485-C1489 WeakPolarHBondContact O-CB 3.32Å; L1485-C1489 PolarHBondContact O-N 2.98Å; L1485-C1489 PolarHBondContact O-SG 3.23Å; V1486-C1489 PolarHBondContact O-N 3.21Å; C1489-K1491 PolarHBondContact O-N 3.16Å; C1489-Q1493 WeakPolarHBondContact O-CG 3.34Å
1490L76.4Confident77.7Confident5 Ų546.4 Ų46.43%0.02625%0.25CS..THydrogen-bonded Turntrans-67.9-9178.9-79.1168.4000114.3L1445 V1486 L1487 T1488 G1492 R1497 L1500 M1544L1445-L1490 HydrophobicContact CD1-CD2 3.87Å; L1445-L1490 HydrophobicContact CD1-CG 4.14Å; L1445-L1490 HydrophobicContact CD2-CD2 3.81Å; L1445-L1490 HydrophobicContact CD2-CG 4.04Å; L1445-L1490 HydrophobicContact CG-CD2 4.49Å; V1486-L1490 HydrophobicContact CG1-CD1 4.15Å; V1486-L1490 HydrophobicContact CG1-CG 4.49Å; V1486-L1490 VanDerWaalsContact O-CG 3.25Å; V1486-L1490 WeakPolarHBondContact O-CG 3.41Å; V1486-L1490 PolarHBondContact O-N 2.94Å; L1487-L1490 HydrophobicContact CD2-CD1 4.42Å; L1487-L1490 PolarHBondContact O-N 3.47Å; T1488-L1490 VanDerWaalsContact C-N 3.27Å; T1488-L1490 PolarHBondContact O-N 3.36Å; L1490-G1492 PolarHBondContact O-N 3.04Å; L1490-R1497 HydrophobicContact CD2-CG 3.61Å; L1490-R1497 PolarHBondContact O-NE 2.7Å; L1490-R1497 PolarHBondContact O-NH2 3.12Å; L1490-L1500 HydrophobicContact CD2-CD2 4.34Å; L1490-M1544 HydrophobicContact CD1-CG 3.88Å; L1490-M1544 HydrophobicContact CD1-SD 4.09Å; L1490-M1544 HydrophobicContact CD2-CG 3.95Å; L1490-M1544 HydrophobicContact CD2-SD 3.52Å; L1490-M1544 VanDerWaalsContact CD2-SD 3.52Å; L1490-M1544 HydrophobicContact CG-SD 4.5Å
1491K71Confident78.5Confident175 Ų17542.8 Ų42.876%0.76123%0.233SC*.THydrogen-bonded Turntrans-78.590.3-175.9-161.1172.7-174.8176.90111.8T1488 C1489T1488-K1491 PolarHBondContact O-N 3.34Å; C1489-K1491 PolarHBondContact O-N 3.16Å
1492G67.7Low79.1Confident60 Ų6045.4 Ų45.462%0.61926%0.255SS*.THydrogen-bonded Turntrans103.77.8176.800000115.5L1490 D1494L1490-G1492 PolarHBondContact O-N 3.04Å; G1492-D1494 PolarHBondContact O-N 3.28Å
1493Q76.4Confident79.1Confident30 Ų3045.4 Ų45.414%0.1426%0.256CS..  trans-97.958.5-178.1-66.6-63.6-36.300112.7T1438 L1445 C1489 E1495 Q1496 R1497T1438-Q1493 PolarHBondContact O-NE2 3.04Å; L1445-Q1493 HydrophobicContact CD1-CB 3.8Å; L1445-Q1493 HydrophobicContact CD1-CG 3.93Å; C1489-Q1493 WeakPolarHBondContact O-CG 3.34Å; Q1493-E1495 VanDerWaalsContact C-N 3.34Å; Q1493-E1495 PolarHBondContact O-N 3.21Å; Q1493-Q1496 HydrophobicContact CB-CB 4.27Å; Q1493-Q1496 PolarHBondContact O-N 2.77Å; Q1493-R1497 WeakPolarHBondContact O-CD 3.39Å; Q1493-R1497 VanDerWaalsContact O-CG 3.31Å; Q1493-R1497 WeakPolarHBondContact O-CG 3.42Å; Q1493-R1497 PolarHBondContact O-N 2.77Å
1494D72Confident79.7Confident72 Ų7245 Ų4539%0.38525%0.254SS..Hα-helixtrans-62.1-31.7-170.5-80.80.5000114.4G1492 R1497 R1550G1492-D1494 PolarHBondContact O-N 3.28Å; D1494-R1497 VanDerWaalsContact OD1-CD 3.22Å; D1494-R1497 WeakPolarHBondContact OD1-CD 3.44Å; D1494-R1497 IonicContact OD1-CZ 3.81Å; D1494-R1497 IonicContact OD1-NE 3.36Å; D1494-R1497 IonicContact OD1-NH1 2.67Å; D1494-R1497 PolarHBondContact OD1-NH1 3.24Å; D1494-R1550 IonicContact OD2-NH1 3.73Å; D1494-R1550 PolarHBondContact OD2-NH1 2.95Å
1495E72.4Confident80.3Confident177 Ų17746.7 Ų46.783%0.82726%0.26SS*.Hα-helixtrans-71.7-40.8173.5-66.6-168.3149.400112.9Q1493 R1497Q1493-E1495 VanDerWaalsContact C-N 3.34Å; Q1493-E1495 PolarHBondContact O-N 3.21Å; E1495-R1497 VanDerWaalsContact C-N 3.34Å
1496Q76.5Confident80.5Confident64 Ų6449 Ų4930%0.29928%0.277SS..Hα-helixtrans-73-27.9179-59.7-62.2-29.400112L1445 Q1493 G1499 L1500L1445-Q1496 HydrophobicContact CB-CB 4.44Å; L1445-Q1496 HydrophobicContact CD1-CB 4.42Å; Q1493-Q1496 HydrophobicContact CB-CB 4.27Å; Q1493-Q1496 PolarHBondContact O-N 2.77Å; Q1496-G1499 PolarHBondContact O-N 3.38Å; Q1496-L1500 WeakPolarHBondContact O-CB 3.29Å; Q1496-L1500 PolarHBondContact O-N 2.74Å
1497R82.8Confident80.5Confident32 Ų3249.1 Ų49.112%0.12128%0.277CS..Hα-helixtrans-57.6-46173.2-81.9160.5163.1-153.2-13.3112.4L1490 Q1493 D1494 E1495 L1501 M1544L1490-R1497 HydrophobicContact CD2-CG 3.61Å; L1490-R1497 PolarHBondContact O-NE 2.7Å; L1490-R1497 PolarHBondContact O-NH2 3.12Å; Q1493-R1497 WeakPolarHBondContact O-CD 3.39Å; Q1493-R1497 VanDerWaalsContact O-CG 3.31Å; Q1493-R1497 WeakPolarHBondContact O-CG 3.42Å; Q1493-R1497 PolarHBondContact O-N 2.77Å; D1494-R1497 VanDerWaalsContact OD1-CD 3.22Å; D1494-R1497 WeakPolarHBondContact OD1-CD 3.44Å; D1494-R1497 IonicContact OD1-CZ 3.81Å; D1494-R1497 IonicContact OD1-NE 3.36Å; D1494-R1497 IonicContact OD1-NH1 2.67Å; D1494-R1497 PolarHBondContact OD1-NH1 3.24Å; E1495-R1497 VanDerWaalsContact C-N 3.34Å; R1497-L1501 WeakPolarHBondContact O-CB 3.31Å; R1497-L1501 WeakPolarHBondContact O-CG 3.44Å; R1497-L1501 PolarHBondContact O-N 2.98Å; R1497-M1544 HydrophobicContact CB-SD 4.22Å; R1497-M1544 HydrophobicContact CG-CG 4.29Å; R1497-M1544 HydrophobicContact CG-SD 4.05Å
1498E82Confident81.1Confident103 Ų10347.2 Ų47.248%0.48127%0.267SS..Hα-helixtrans-66.5-40178.1-66.3-152129.500112.1L1501 A1502 T1547 Q1554E1498-L1501 PolarHBondContact O-N 3.31Å; E1498-A1502 PolarHBondContact O-N 3.48Å; E1498-T1547 HydrophobicContact CG-CG2 4.04Å; E1498-Q1554 PolarHBondContact OE1-NE2 3.1Å
1499G81.7Confident81.6Confident42 Ų4248.6 Ų48.643%0.43327%0.27SS..Hα-helixtrans-61-49174.700000112.7Q1496 L1501 A1502 S1503Q1496-G1499 PolarHBondContact O-N 3.38Å; G1499-L1501 PolarHBondContact O-N 2.87Å; G1499-A1502 PolarHBondContact O-N 3.49Å; G1499-S1503 PolarHBondContact O-N 3.21Å
1500L83.1Confident81.6Confident10 Ų1052.4 Ų52.45%0.05229%0.288CS..Hα-helixtrans-66.1-36.1178-172.465.2000112.1L1445 L1452 V1486 L1490 Q1496 S1503 L1504 M1544L1445-L1500 HydrophobicContact CD2-CD2 3.75Å; L1452-L1500 HydrophobicContact CD1-CD1 4.16Å; V1486-L1500 HydrophobicContact CG1-CD2 4.23Å; L1490-L1500 HydrophobicContact CD2-CD2 4.34Å; Q1496-L1500 WeakPolarHBondContact O-CB 3.29Å; Q1496-L1500 PolarHBondContact O-N 2.74Å; L1500-S1503 WeakPolarHBondContact O-CB 3.3Å; L1500-S1503 PolarHBondContact O-N 2.89Å; L1500-L1504 HydrophobicContact CG-CD1 4.09Å; L1500-L1504 HydrophobicContact CG-CG 4.45Å; L1500-L1504 WeakPolarHBondContact O-CB 3.41Å; L1500-L1504 VanDerWaalsContact O-CG 3.31Å; L1500-L1504 WeakPolarHBondContact O-CG 3.44Å; L1500-L1504 PolarHBondContact O-N 3.32Å; L1500-M1544 HydrophobicContact CB-CE 4.31Å; L1500-M1544 HydrophobicContact CB-SD 4.38Å; L1500-M1544 HydrophobicContact CD2-CE 3.77Å; L1500-M1544 HydrophobicContact CD2-SD 4.1Å; L1500-M1544 HydrophobicContact CG-CE 3.95Å
1501L87.5Confident82Confident3 Ų353.4 Ų53.42%0.01629%0.293CS..Hα-helixtrans-64.2-42.3172.9-83.6170.4000112.4R1497 E1498 G1499 S1503 L1504 H1505 V1541 M1544 T1547 V1548 W1558R1497-L1501 WeakPolarHBondContact O-CB 3.31Å; R1497-L1501 WeakPolarHBondContact O-CG 3.44Å; R1497-L1501 PolarHBondContact O-N 2.98Å; E1498-L1501 PolarHBondContact O-N 3.31Å; G1499-L1501 PolarHBondContact O-N 2.87Å; L1501-S1503 VanDerWaalsContact C-N 3.3Å; L1501-S1503 PolarHBondContact O-N 3.03Å; L1501-L1504 PolarHBondContact O-N 3.31Å; L1501-H1505 WeakPolarHBondContact O-CB 3.42Å; L1501-H1505 PolarHBondContact O-N 2.88Å; L1501-V1541 HydrophobicContact CD2-CG1 4.17Å; L1501-V1541 HydrophobicContact CD2-CG2 4.35Å; L1501-M1544 HydrophobicContact CD1-CB 4.03Å; L1501-M1544 HydrophobicContact CD2-CB 4.1Å; L1501-M1544 HydrophobicContact CD2-CE 3.96Å; L1501-M1544 HydrophobicContact CG-CB 4.1Å; L1501-M1544 HydrophobicContact CG-CE 3.92Å; L1501-M1544 HydrophobicContact CG-SD 4.04Å; L1501-T1547 HydrophobicContact CD1-CG2 3.78Å; L1501-V1548 HydrophobicContact CD1-CG2 3.87Å; L1501-V1548 HydrophobicContact CD2-CG2 3.8Å; L1501-W1558 HydrophobicContact CD2-CZ2 3.95Å; L1501-W1558 WeakPolarHBondContact O-CZ2 3.39Å
1502A85.8Confident82.8Confident65 Ų6545.1 Ų45.154%0.53726%0.257SS..Hα-helixtrans-61.6-40.917500000111.6E1498 G1499 H1505 S1506E1498-A1502 PolarHBondContact O-N 3.48Å; G1499-A1502 PolarHBondContact O-N 3.49Å; A1502-H1505 PolarHBondContact O-N 3.15Å; A1502-S1506 PolarHBondContact O-N 2.83Å
1503S83.8Confident83.7Confident5 Ų544.6 Ų44.64%0.03524%0.24CC..Hα-helixtrans-62.2-50.5173.8-169.60000112.6E1453 G1499 L1500 L1501 H1505 S1506 Q1507E1453-S1503 VanDerWaalsContact CD-OG 3.28Å; E1453-S1503 WeakPolarHBondContact CG-OG 3.48Å; E1453-S1503 WeakPolarHBondContact OE1-CB 3.39Å; E1453-S1503 PolarHBondContact OE1-OG 2.92Å; G1499-S1503 PolarHBondContact O-N 3.21Å; L1500-S1503 WeakPolarHBondContact O-CB 3.3Å; L1500-S1503 PolarHBondContact O-N 2.89Å; L1501-S1503 VanDerWaalsContact C-N 3.3Å; L1501-S1503 PolarHBondContact O-N 3.03Å; S1503-H1505 VanDerWaalsContact C-N 3.3Å; S1503-H1505 PolarHBondContact O-N 3.21Å; S1503-S1506 WeakPolarHBondContact O-CB 3.19Å; S1503-S1506 PolarHBondContact O-N 3.43Å; S1503-S1506 VanDerWaalsContact O-N 3.13Å; S1503-Q1507 WeakPolarHBondContact O-CG 3.44Å; S1503-Q1507 PolarHBondContact O-N 2.74Å; S1503-Q1507 PolarHBondContact OG-NE2 3.4Å
1504L88.1Confident84Confident0 Ų044.8 Ų44.80%024%0.242CC..Hα-helixtrans-62.6-36.6178.7-71.8169000111.9L1500 L1501 Q1507 V1508 R1537 L1540 V1541 M1544 W1558L1500-L1504 HydrophobicContact CG-CD1 4.09Å; L1500-L1504 HydrophobicContact CG-CG 4.45Å; L1500-L1504 WeakPolarHBondContact O-CB 3.41Å; L1500-L1504 VanDerWaalsContact O-CG 3.31Å; L1500-L1504 WeakPolarHBondContact O-CG 3.44Å; L1500-L1504 PolarHBondContact O-N 3.32Å; L1501-L1504 PolarHBondContact O-N 3.31Å; L1504-Q1507 PolarHBondContact O-N 3.21Å; L1504-V1508 WeakPolarHBondContact O-CB 3.4Å; L1504-V1508 WeakPolarHBondContact O-CG2 3.37Å; L1504-V1508 PolarHBondContact O-N 2.59Å; L1504-R1537 HydrophobicContact CD2-CB 4.25Å; L1504-R1537 HydrophobicContact CD2-CG 3.98Å; L1504-L1540 HydrophobicContact CD1-CB 3.84Å; L1504-L1540 HydrophobicContact CD2-CD1 4.49Å; L1504-V1541 HydrophobicContact CB-CG2 4.02Å; L1504-V1541 HydrophobicContact CD1-CG2 3.98Å; L1504-M1544 HydrophobicContact CD1-CE 3.52Å; L1504-W1558 HydrophobicContact CB-CH2 4.22Å
1505H91.1Very high84.4Confident50 Ų5043.3 Ų43.323%0.23123%0.231CC..Hα-helixtrans-61.5-46.1172.9-173-76.1000111.3L1501 A1502 S1503 H1509 W1558 L1561L1501-H1505 WeakPolarHBondContact O-CB 3.42Å; L1501-H1505 PolarHBondContact O-N 2.88Å; A1502-H1505 PolarHBondContact O-N 3.15Å; S1503-H1505 VanDerWaalsContact C-N 3.3Å; S1503-H1505 PolarHBondContact O-N 3.21Å; H1505-H1509 WeakPolarHBondContact O-CB 3.43Å; H1505-H1509 PolarHBondContact O-N 3.17Å; H1505-W1558 HydrophobicContact CB-CH2 3.98Å; H1505-W1558 HydrophobicContact CB-CZ2 3.63Å; H1505-W1558 AromaticContact CD2-CD2 3.97Å; H1505-W1558 AromaticContact CD2-CE2 3.89Å; H1505-L1561 HydrophobicContact CB-CD2 4.48Å
1506S87.2Confident84.7Confident50 Ų5040 Ų4035%0.3521%0.21SC..Hα-helixtrans-57.8-46.8173173.70000112Q1456 A1502 S1503 Q1510Q1456-S1506 PolarHBondContact NE2-O 2.83Å; Q1456-S1506 PolarHBondContact NE2-OG 3.45Å; Q1456-S1506 PolarHBondContact OE1-OG 2.52Å; A1502-S1506 PolarHBondContact O-N 2.83Å; S1503-S1506 WeakPolarHBondContact O-CB 3.19Å; S1503-S1506 PolarHBondContact O-N 3.43Å; S1503-S1506 VanDerWaalsContact O-N 3.13Å; S1506-Q1510 WeakPolarHBondContact O-CB 3.4Å; S1506-Q1510 WeakPolarHBondContact O-CG 3.42Å; S1506-Q1510 PolarHBondContact O-N 3.06Å
1507Q84.3Confident84.8Confident5 Ų542.6 Ų42.62%0.02322%0.223CC..Hα-helixtrans-64.9-46.9-178.5-69.8176.650.800112.4Q1456 S1503 L1504 Q1510 I1511Q1456-Q1507 HydrophobicContact CG-CG 3.96Å; S1503-Q1507 WeakPolarHBondContact O-CG 3.44Å; S1503-Q1507 PolarHBondContact O-N 2.74Å; S1503-Q1507 PolarHBondContact OG-NE2 3.4Å; L1504-Q1507 PolarHBondContact O-N 3.21Å; Q1507-Q1510 PolarHBondContact O-N 3.08Å; Q1507-I1511 WeakPolarHBondContact O-CG1 3.2Å; Q1507-I1511 PolarHBondContact O-N 2.83Å
1508V89.3Confident83.9Confident0 Ų046.1 Ų46.10%024%0.244CC..Hα-helixtrans-67-41.3179.2171.80000111.2L1504 Q1510 I1511 V1512 L1534 R1537 L1561 I1565L1504-V1508 WeakPolarHBondContact O-CB 3.4Å; L1504-V1508 WeakPolarHBondContact O-CG2 3.37Å; L1504-V1508 PolarHBondContact O-N 2.59Å; V1508-Q1510 VanDerWaalsContact C-N 3.32Å; V1508-Q1510 PolarHBondContact O-N 3.07Å; V1508-I1511 PolarHBondContact O-N 3.22Å; V1508-V1512 WeakPolarHBondContact O-CG2 3.46Å; V1508-V1512 PolarHBondContact O-N 3.46Å; V1508-V1512 VanDerWaalsContact O-N 3.13Å; V1508-L1534 HydrophobicContact CG1-CD1 3.93Å; V1508-L1534 HydrophobicContact CG2-CD1 4.07Å; V1508-R1537 HydrophobicContact CG2-CB 4Å; V1508-L1561 HydrophobicContact CB-CD2 4.1Å; V1508-L1561 HydrophobicContact CG1-CD1 4.24Å; V1508-L1561 HydrophobicContact CG1-CD2 3.93Å; V1508-L1561 HydrophobicContact CG1-CG 4.06Å; V1508-I1565 HydrophobicContact CG1-CD1 3.69Å; V1508-I1565 HydrophobicContact CG1-CG1 4.26Å
1509H90.3Very high82.8Confident73 Ų7345.6 Ų45.634%0.33824%0.241SC..Hα-helixtrans-61.7-38.5173.3-179.2-105.7000112.1H1505 V1512 I1513 L1561 E1564H1505-H1509 WeakPolarHBondContact O-CB 3.43Å; H1505-H1509 PolarHBondContact O-N 3.17Å; H1509-V1512 PolarHBondContact O-N 3.03Å; H1509-I1513 WeakPolarHBondContact O-CG1 3.44Å; H1509-I1513 PolarHBondContact O-N 3.28Å; H1509-L1561 HydrophobicContact CB-CD1 3.85Å; H1509-L1561 HydrophobicContact CB-CD2 4.43Å; H1509-E1564 IonicContact CD2-OE2 2.68Å
1510Q85.1Confident81.7Confident79 Ų7946.3 Ų46.337%0.36923%0.231SC..Hα-helixtrans-66.1-38172.6-83.2-67.6-10.400113.3S1506 Q1507 V1508 V1512 I1513 N1514S1506-Q1510 WeakPolarHBondContact O-CB 3.4Å; S1506-Q1510 WeakPolarHBondContact O-CG 3.42Å; S1506-Q1510 PolarHBondContact O-N 3.06Å; Q1507-Q1510 PolarHBondContact O-N 3.08Å; V1508-Q1510 VanDerWaalsContact C-N 3.32Å; V1508-Q1510 PolarHBondContact O-N 3.07Å; Q1510-V1512 VanDerWaalsContact C-N 3.29Å; Q1510-V1512 PolarHBondContact O-N 3.45Å; Q1510-I1513 PolarHBondContact O-N 3.02Å; Q1510-N1514 PolarHBondContact O-N 2.94Å; Q1510-N1514 PolarHBondContact O-ND2 3.45Å; Q1510-N1514 PolarHBondContact OE1-ND2 3.29Å
1511I84.6Confident80.4Confident27 Ų2750.4 Ų50.414%0.13825%0.253CS..Hα-helixtrans-58.6-44.1173.6-69165.6000110.3Q1507 V1508 I1513 N1514 W1515 M1530 L1534 T1570Q1507-I1511 WeakPolarHBondContact O-CG1 3.2Å; Q1507-I1511 PolarHBondContact O-N 2.83Å; V1508-I1511 PolarHBondContact O-N 3.22Å; I1511-I1513 PolarHBondContact O-N 2.89Å; I1511-N1514 PolarHBondContact O-N 3.39Å; I1511-W1515 PolarHBondContact O-N 3.02Å; I1511-M1530 HydrophobicContact CG2-CG 3.98Å; I1511-M1530 HydrophobicContact CG2-SD 3.89Å; I1511-L1534 HydrophobicContact CD1-CD1 4.48Å; I1511-T1570 HydrophobicContact CG2-CG2 4.33Å
1512V87.2Confident79Confident1 Ų158.4 Ų58.41%0.00630%0.296CS..Hα-helixtrans-64-37.1176.9174.40000112.7V1508 H1509 Q1510 R1516 E1564 I1565V1508-V1512 WeakPolarHBondContact O-CG2 3.46Å; V1508-V1512 PolarHBondContact O-N 3.46Å; V1508-V1512 VanDerWaalsContact O-N 3.13Å; H1509-V1512 PolarHBondContact O-N 3.03Å; Q1510-V1512 VanDerWaalsContact C-N 3.29Å; Q1510-V1512 PolarHBondContact O-N 3.45Å; V1512-R1516 PolarHBondContact O-N 3.37Å; V1512-E1564 HydrophobicContact CG1-CG 4.04Å; V1512-I1565 HydrophobicContact CG2-CB 4.31Å; V1512-I1565 HydrophobicContact CG2-CG1 3.57Å
1513I86.4Confident77.8Confident49 Ų4960 Ų6025%0.25130%0.296SS..Hα-helixtrans-66.1-53.3174-70168.1000111H1509 Q1510 I1511 W1515 R1516 E1517H1509-I1513 WeakPolarHBondContact O-CG1 3.44Å; H1509-I1513 PolarHBondContact O-N 3.28Å; Q1510-I1513 PolarHBondContact O-N 3.02Å; I1511-I1513 PolarHBondContact O-N 2.89Å; I1513-W1515 PolarHBondContact O-N 3.25Å; I1513-R1516 WeakPolarHBondContact O-CB 3.27Å; I1513-R1516 PolarHBondContact O-N 3.34Å; I1513-E1517 PolarHBondContact O-N 3.14Å; I1513-E1517 VanDerWaalsContact O-N 3.11Å
1514N82.5Confident77Confident34 Ų3464.6 Ų64.618%0.18233%0.326CS..Hα-helixtrans-62.7-27.2-176.8-72.3-89.2000112.2Q1510 I1511 Q1519 Y1520Q1510-N1514 PolarHBondContact O-N 2.94Å; Q1510-N1514 PolarHBondContact O-ND2 3.45Å; Q1510-N1514 PolarHBondContact OE1-ND2 3.29Å; I1511-N1514 PolarHBondContact O-N 3.39Å; N1514-Q1519 PolarHBondContact OD1-NE2 3.01Å; N1514-Y1520 HydrophobicContact CB-CE2 4Å
1515W80.5Confident76.2Confident40 Ų4072.3 Ų72.315%0.15236%0.36CS..Hα-helixtrans-65.4-45.7169.9-171.7-97.4000112.8I1511 I1513 E1517 N1518 Y1520 K1527 M1530 G1569 T1570I1511-W1515 PolarHBondContact O-N 3.02Å; I1513-W1515 PolarHBondContact O-N 3.25Å; W1515-E1517 PolarHBondContact O-N 3.27Å; W1515-N1518 PolarHBondContact O-N 2.91Å; W1515-N1518 VanDerWaalsContact O-N 3.13Å; W1515-Y1520 HydrophobicContact CE3-CD2 4.33Å; W1515-Y1520 HydrophobicContact CE3-CG 4.46Å; W1515-K1527 HydrophobicContact CH2-CD 3.88Å; W1515-K1527 HydrophobicContact CH2-CG 3.94Å; W1515-K1527 HydrophobicContact CZ3-CB 4.48Å; W1515-K1527 HydrophobicContact CZ3-CD 4.36Å; W1515-K1527 HydrophobicContact CZ3-CG 3.91Å; W1515-M1530 HydrophobicContact CD2-SD 4.43Å; W1515-M1530 HydrophobicContact CE3-CE 3.87Å; W1515-M1530 HydrophobicContact CE3-SD 3.4Å; W1515-M1530 HydrophobicContact CH2-CE 4.37Å; W1515-M1530 HydrophobicContact CZ3-CE 3.62Å; W1515-M1530 HydrophobicContact CZ3-SD 3.64Å; W1515-G1569 WeakPolarHBondContact CZ2-O 3.26Å; W1515-G1569 VanDerWaalsContact NE1-C 3.34Å; W1515-G1569 PolarHBondContact NE1-O 3.5Å; W1515-T1570 HydrophobicContact CB-CG2 4.33Å; W1515-T1570 WeakPolarHBondContact CB-OG1 3.44Å; W1515-T1570 HydrophobicContact CD2-CG2 4.22Å; W1515-T1570 HydrophobicContact CE3-CG2 4.49Å; W1515-T1570 HydrophobicContact CG-CG2 4.16Å; W1515-T1570 VanDerWaalsContact CG-OG1 3.27Å
1516R79.3Confident75.3Confident107 Ų10772 Ų7240%0.40436%0.362SS..Hα-helixtrans-66.2-24.3177.1-71.6179.1178.3166.33.8113.6V1512 I1513 N1518 E1564V1512-R1516 PolarHBondContact O-N 3.37Å; I1513-R1516 WeakPolarHBondContact O-CB 3.27Å; I1513-R1516 PolarHBondContact O-N 3.34Å; R1516-N1518 PolarHBondContact O-N 3.46Å; R1516-E1564 IonicContact CZ-OE1 3.01Å; R1516-E1564 IonicContact NH1-OE1 2.68Å; R1516-E1564 PolarHBondContact NH1-OE1 2.61Å; R1516-E1564 VanDerWaalsContact NH2-CD 3.32Å; R1516-E1564 IonicContact NH2-OE1 2.69Å; R1516-E1564 PolarHBondContact NH2-OE1 3.06Å
1517E77.8Confident74.7Confident119 Ų11972.5 Ų72.556%0.55636%0.358SS*.THydrogen-bonded Turntrans-80.311.2173.9-66.5-172.7167.900113.6I1513 W1515 Q1519I1513-E1517 PolarHBondContact O-N 3.14Å; I1513-E1517 VanDerWaalsContact O-N 3.11Å; W1515-E1517 PolarHBondContact O-N 3.27Å; E1517-Q1519 HydrophobicContact CB-CG 4.24Å; E1517-Q1519 PolarHBondContact O-N 3.44Å; E1517-Q1519 VanDerWaalsContact O-N 3.1Å; E1517-Q1519 PolarHBondContact OE2-NE2 3.42Å
1518N63.6Low74.4Confident106 Ų10678.6 Ų78.657%0.56739%0.386SS*.THydrogen-bonded Turntrans61.314.5175-64.9-17000115.6W1515 R1516 Y1520 L1521W1515-N1518 PolarHBondContact O-N 2.91Å; W1515-N1518 VanDerWaalsContact O-N 3.13Å; R1516-N1518 PolarHBondContact O-N 3.46Å; N1518-Y1520 PolarHBondContact O-N 3.16Å; N1518-L1521 HydrophobicContact CB-CD1 3.86Å; N1518-L1521 PolarHBondContact O-N 2.89Å; N1518-L1521 WeakPolarHBondContact OD1-CD1 3.3Å
1519Q59.6Low73.5Confident92 Ų9283.7 Ų83.743%0.4341%0.413SS..THydrogen-bonded Turntrans-65.3-5.6-176.2-61.7-175.739.700114.6N1514 E1517N1514-Q1519 PolarHBondContact OD1-NE2 3.01Å; E1517-Q1519 HydrophobicContact CB-CG 4.24Å; E1517-Q1519 PolarHBondContact O-N 3.44Å; E1517-Q1519 VanDerWaalsContact O-N 3.1Å; E1517-Q1519 PolarHBondContact OE2-NE2 3.42Å
1520Y59.1Low73.1Confident57 Ų5780.6 Ų80.622%0.22440%0.399CS..THydrogen-bonded Turntrans-129.614.9-170.8-63.1-77.1000114.5N1514 W1515 N1518 P1526 K1527N1514-Y1520 HydrophobicContact CB-CE2 4Å; W1515-Y1520 HydrophobicContact CE3-CD2 4.33Å; W1515-Y1520 HydrophobicContact CE3-CG 4.46Å; N1518-Y1520 PolarHBondContact O-N 3.16Å; Y1520-P1526 HydrophobicContact CD1-CB 3.91Å; Y1520-P1526 HydrophobicContact CE1-CB 4.44Å; Y1520-K1527 WeakPolarHBondContact O-CE 3.12Å; Y1520-K1527 WeakPolarHBondContact O-CG 3.45Å
1521L55.7Low73.1Confident96 Ų9677.5 Ų77.550%0.50338%0.384SS..SBendtrans-81.1-35.5-166.4-106163.7000115.8N1518N1518-L1521 HydrophobicContact CB-CD1 3.86Å; N1518-L1521 PolarHBondContact O-N 2.89Å; N1518-L1521 WeakPolarHBondContact OD1-CD1 3.3Å
1522D58.2Low72.8Confident171 Ų17180.6 Ų80.691%0.91440%0.398SS*.SBendtrans-89.5-6.4-166.4-64.5-39.6000115.6
1523D60.1Low72.3Confident100 Ų10080.9 Ų80.954%0.53540%0.401SS..  trans-141139.1-171.7-158.4-25.3000112.2P1526D1523-P1526 HydrophobicContact CB-CG 4.1Å
1524C67.2Low72.3Confident100 Ų10078.6 Ų78.668%0.67639%0.389SS*.Hα-helixtrans-80-39.3-173.1-75.80000113.3K1527 Q1528C1524-K1527 PolarHBondContact O-N 3.4Å; C1524-Q1528 PolarHBondContact O-N 3.23Å
1525K72.1Confident72.4Confident162 Ų16277.7 Ų77.770%0.70438%0.384SS*.Hα-helixtrans-60.9-43.5-177.1-76.6-177.3175.8-177.80112.7K1527 Q1528 L1529K1525-K1527 PolarHBondContact O-N 2.9Å; K1525-Q1528 PolarHBondContact O-N 3.31Å; K1525-L1529 WeakPolarHBondContact O-CG 3.28Å; K1525-L1529 PolarHBondContact O-N 3.11Å
1526P71.7Confident72.2Confident44 Ų4476.9 Ų76.929%0.28638%0.382SS..Hα-helixtrans-60.8-37.7175.7-27.137.4000114.2Y1520 D1523 M1530Y1520-P1526 HydrophobicContact CD1-CB 3.91Å; Y1520-P1526 HydrophobicContact CE1-CB 4.44Å; D1523-P1526 HydrophobicContact CB-CG 4.1Å; P1526-M1530 VanDerWaalsContact O-CB 3.3Å; P1526-M1530 WeakPolarHBondContact O-CB 3.41Å; P1526-M1530 PolarHBondContact O-N 2.92Å
1527K74.9Confident72.5Confident60 Ų6072.6 Ų72.626%0.26137%0.366SS..Hα-helixtrans-62.9-45.6176-68.7-173.5177.3176.10111.5W1515 Y1520 C1524 K1525 M1530 H1531W1515-K1527 HydrophobicContact CH2-CD 3.88Å; W1515-K1527 HydrophobicContact CH2-CG 3.94Å; W1515-K1527 HydrophobicContact CZ3-CB 4.48Å; W1515-K1527 HydrophobicContact CZ3-CD 4.36Å; W1515-K1527 HydrophobicContact CZ3-CG 3.91Å; Y1520-K1527 WeakPolarHBondContact O-CE 3.12Å; Y1520-K1527 WeakPolarHBondContact O-CG 3.45Å; C1524-K1527 PolarHBondContact O-N 3.4Å; K1525-K1527 PolarHBondContact O-N 2.9Å; K1527-M1530 PolarHBondContact O-N 3.11Å; K1527-H1531 PolarHBondContact O-N 3Å
1528Q77.5Confident73Confident133 Ų13367 Ų6762%0.62134%0.34SS*.Hα-helixtrans-66.4-43.6-177.5-158.1166.710.300111.6C1524 K1525 M1530 H1531 E1532C1524-Q1528 PolarHBondContact O-N 3.23Å; K1525-Q1528 PolarHBondContact O-N 3.31Å; Q1528-M1530 VanDerWaalsContact C-N 3.31Å; Q1528-M1530 PolarHBondContact O-N 3.42Å; Q1528-H1531 PolarHBondContact O-N 3.13Å; Q1528-E1532 PolarHBondContact O-N 3.38Å
1529L70.9Confident74Confident107 Ų10762.2 Ų62.256%0.5632%0.315SS*.Hα-helixtrans-61.7-36.6172-71.9169000112.8M1474 K1525 A1533M1474-L1529 HydrophobicContact CE-CB 4.17Å; M1474-L1529 WeakPolarHBondContact CE-O 3.18Å; K1525-L1529 WeakPolarHBondContact O-CG 3.28Å; K1525-L1529 PolarHBondContact O-N 3.11Å; L1529-A1533 VanDerWaalsContact O-CB 3.28Å; L1529-A1533 WeakPolarHBondContact O-CB 3.33Å; L1529-A1533 PolarHBondContact O-N 2.89Å
1530M81.8Confident75Confident8 Ų858 Ų584%0.03930%0.295CS..Hα-helixtrans-69.9-36.5175.4-175.1-136.264.800112.1I1511 W1515 P1526 K1527 Q1528 A1533 L1534 T1570I1511-M1530 HydrophobicContact CG2-CG 3.98Å; I1511-M1530 HydrophobicContact CG2-SD 3.89Å; W1515-M1530 HydrophobicContact CD2-SD 4.43Å; W1515-M1530 HydrophobicContact CE3-CE 3.87Å; W1515-M1530 HydrophobicContact CE3-SD 3.4Å; W1515-M1530 HydrophobicContact CH2-CE 4.37Å; W1515-M1530 HydrophobicContact CZ3-CE 3.62Å; W1515-M1530 HydrophobicContact CZ3-SD 3.64Å; P1526-M1530 VanDerWaalsContact O-CB 3.3Å; P1526-M1530 WeakPolarHBondContact O-CB 3.41Å; P1526-M1530 PolarHBondContact O-N 2.92Å; K1527-M1530 PolarHBondContact O-N 3.11Å; Q1528-M1530 VanDerWaalsContact C-N 3.31Å; Q1528-M1530 PolarHBondContact O-N 3.42Å; M1530-A1533 PolarHBondContact O-N 3.24Å; M1530-L1534 WeakPolarHBondContact O-CB 3.33Å; M1530-L1534 PolarHBondContact O-N 3.39Å; M1530-T1570 HydrophobicContact CE-CG2 3.84Å; M1530-T1570 HydrophobicContact SD-CG2 4.2Å
1531H85.1Confident76.4Confident14 Ų1455.4 Ų55.47%0.06529%0.285CS..Hα-helixtrans-65.2-44.5173.9-77.4156.9000112.2K1527 Q1528 A1533 L1534 K1535 T1570 L1579K1527-H1531 PolarHBondContact O-N 3Å; Q1528-H1531 PolarHBondContact O-N 3.13Å; H1531-A1533 PolarHBondContact O-N 3.48Å; H1531-L1534 PolarHBondContact O-N 2.98Å; H1531-K1535 WeakPolarHBondContact O-CB 3.4Å; H1531-K1535 PolarHBondContact O-N 3.28Å; H1531-T1570 PolarHBondContact NE2-O 2.94Å; H1531-L1579 HydrophobicContact CB-CD2 4.04Å
1532E77.4Confident77.8Confident92 Ų9250.8 Ų50.843%0.4326%0.261SS..Hα-helixtrans-59.8-45.5172.9-70.8-55.2140.400111.8Q1528 L1534 K1535 L1536Q1528-E1532 PolarHBondContact O-N 3.38Å; E1532-L1534 PolarHBondContact O-N 3Å; E1532-K1535 WeakPolarHBondContact O-CB 3.4Å; E1532-K1535 PolarHBondContact O-N 2.95Å; E1532-L1536 WeakPolarHBondContact O-CB 3.46Å; E1532-L1536 PolarHBondContact O-N 2.82Å
1533A77.8Confident78.8Confident8 Ų843.4 Ų43.47%0.06623%0.225CC..Hα-helixtrans-67.8-21.2178.500000114.4M1474 L1529 M1530 H1531 R1537M1474-A1533 HydrophobicContact CE-CB 3.44Å; M1474-A1533 VanDerWaalsContact CE-CB 3.44Å; M1474-A1533 HydrophobicContact SD-CB 3.45Å; M1474-A1533 WeakPolarHBondContact SD-CB 3.19Å; L1529-A1533 VanDerWaalsContact O-CB 3.28Å; L1529-A1533 WeakPolarHBondContact O-CB 3.33Å; L1529-A1533 PolarHBondContact O-N 2.89Å; M1530-A1533 PolarHBondContact O-N 3.24Å; H1531-A1533 PolarHBondContact O-N 3.48Å; A1533-R1537 WeakPolarHBondContact O-CD 3.45Å; A1533-R1537 WeakPolarHBondContact O-CG 3.39Å; A1533-R1537 PolarHBondContact O-NH1 3.23Å
1534L86.3Confident80Confident0 Ų038.7 Ų38.70%020%0.2CC..Hα-helixtrans-83.2-43.1170.6179.356.6000110.9V1508 I1511 M1530 H1531 E1532 R1537 L1538 I1565 T1570 V1571 L1579V1508-L1534 HydrophobicContact CG1-CD1 3.93Å; V1508-L1534 HydrophobicContact CG2-CD1 4.07Å; I1511-L1534 HydrophobicContact CD1-CD1 4.48Å; M1530-L1534 WeakPolarHBondContact O-CB 3.33Å; M1530-L1534 PolarHBondContact O-N 3.39Å; H1531-L1534 PolarHBondContact O-N 2.98Å; E1532-L1534 PolarHBondContact O-N 3Å; L1534-R1537 PolarHBondContact O-N 2.77Å; L1534-L1538 HydrophobicContact CD1-CD1 4.3Å; L1534-L1538 HydrophobicContact CD1-CG 4.29Å; L1534-L1538 HydrophobicContact CG-CD1 4.17Å; L1534-L1538 WeakPolarHBondContact O-CG 3.37Å; L1534-L1538 PolarHBondContact O-N 2.75Å; L1534-I1565 HydrophobicContact CD1-CD1 4.45Å; L1534-I1565 HydrophobicContact CD2-CG2 4.16Å; L1534-T1570 HydrophobicContact CD2-CG2 4.19Å; L1534-V1571 HydrophobicContact CD2-CG2 3.64Å; L1534-L1579 HydrophobicContact CB-CD2 4.47Å; L1534-L1579 HydrophobicContact CD2-CD2 4.22Å; L1534-L1579 HydrophobicContact CG-CD2 4.39Å
1535K84.4Confident81Confident16 Ų1634 Ų347%0.0717%0.168CC..Hα-helixtrans-54.6-53.8174.6-169.2174.5-177.1178.20110.6H1531 E1532 R1537 L1538 N1539 E1578 L1579H1531-K1535 WeakPolarHBondContact O-CB 3.4Å; H1531-K1535 PolarHBondContact O-N 3.28Å; E1532-K1535 WeakPolarHBondContact O-CB 3.4Å; E1532-K1535 PolarHBondContact O-N 2.95Å; K1535-R1537 VanDerWaalsContact C-N 3.29Å; K1535-R1537 PolarHBondContact O-N 3.27Å; K1535-L1538 PolarHBondContact O-N 3.42Å; K1535-L1538 VanDerWaalsContact O-N 3.08Å; K1535-N1539 PolarHBondContact O-N 3.27Å; K1535-N1539 PolarHBondContact O-ND2 3.03Å; K1535-N1539 PolarHBondContact O-OD1 3.12Å; K1535-E1578 WeakPolarHBondContact CE-OE1 3.26Å; K1535-E1578 IonicContact NZ-OE1 3.84Å; K1535-E1578 PolarHBondContact NZ-OE1 3.06Å; K1535-E1578 IonicContact NZ-OE2 3.95Å; K1535-E1578 PolarHBondContact NZ-OE2 3.19Å; K1535-L1579 HydrophobicContact CB-CD1 3.81Å; K1535-L1579 HydrophobicContact CG-CD1 4.08Å
1536L76.7Confident81.6Confident23 Ų2326.8 Ų26.812%0.1214%0.137CC..Hα-helixtrans-57.3-36.3177.1-83.6154.5000114.2L1477 L1483 E1532 L1540L1477-L1536 HydrophobicContact CB-CD1 4.28Å; L1477-L1536 VanDerWaalsContact O-CD1 3.31Å; L1477-L1536 WeakPolarHBondContact O-CD1 3.27Å; L1477-L1536 VanDerWaalsContact O-CD2 3.31Å; L1477-L1536 WeakPolarHBondContact O-CD2 3.37Å; L1483-L1536 HydrophobicContact CD1-CD2 4.46Å; L1483-L1536 HydrophobicContact CD2-CD2 4.08Å; E1532-L1536 WeakPolarHBondContact O-CB 3.46Å; E1532-L1536 PolarHBondContact O-N 2.82Å; L1536-L1540 PolarHBondContact O-N 2.61Å
1537R85.2Confident82.2Confident17 Ų1725.1 Ų25.16%0.06413%0.126CC..Hα-helixtrans-71-40.7175.1-75.9175.7172.177.65.5112.2L1477 L1504 V1508 A1533 L1534 K1535 N1539 L1540 V1541L1477-R1537 VanDerWaalsContact CD1-NH1 3.33Å; L1504-R1537 HydrophobicContact CD2-CB 4.25Å; L1504-R1537 HydrophobicContact CD2-CG 3.98Å; V1508-R1537 HydrophobicContact CG2-CB 4Å; A1533-R1537 WeakPolarHBondContact O-CD 3.45Å; A1533-R1537 WeakPolarHBondContact O-CG 3.39Å; A1533-R1537 PolarHBondContact O-NH1 3.23Å; L1534-R1537 PolarHBondContact O-N 2.77Å; K1535-R1537 VanDerWaalsContact C-N 3.29Å; K1535-R1537 PolarHBondContact O-N 3.27Å; R1537-N1539 VanDerWaalsContact C-N 3.33Å; R1537-L1540 PolarHBondContact O-N 3.34Å; R1537-V1541 WeakPolarHBondContact O-CG2 3.4Å; R1537-V1541 PolarHBondContact O-N 3.35Å
1538L88.8Confident82.8Confident0 Ų022.2 Ų22.20%011%0.114CC..Hα-helixtrans-64.8-38.4173.8-67.2171.5000111L1534 K1535 L1540 V1541 G1542 L1562 L1579 V1583 M1586L1534-L1538 HydrophobicContact CD1-CD1 4.3Å; L1534-L1538 HydrophobicContact CD1-CG 4.29Å; L1534-L1538 HydrophobicContact CG-CD1 4.17Å; L1534-L1538 WeakPolarHBondContact O-CG 3.37Å; L1534-L1538 PolarHBondContact O-N 2.75Å; K1535-L1538 PolarHBondContact O-N 3.42Å; K1535-L1538 VanDerWaalsContact O-N 3.08Å; L1538-L1540 VanDerWaalsContact C-N 3.31Å; L1538-L1540 PolarHBondContact O-N 2.71Å; L1538-V1541 CarbonylContact O-C 3.5Å; L1538-V1541 PolarHBondContact O-N 3.26Å; L1538-G1542 PolarHBondContact O-N 2.92Å; L1538-L1562 HydrophobicContact CD2-CD2 3.85Å; L1538-L1579 HydrophobicContact CD1-CD1 3.9Å; L1538-V1583 HydrophobicContact CD1-CG2 3.57Å; L1538-M1586 HydrophobicContact CB-CE 4.19Å; L1538-M1586 HydrophobicContact CB-SD 4.4Å; L1538-M1586 HydrophobicContact CD2-SD 4.03Å; L1538-M1586 VanDerWaalsContact O-CE 3.32Å; L1538-M1586 WeakPolarHBondContact O-CE 3.36Å
1539N82.8Confident83.2Confident7 Ų717.4 Ų17.44%0.0379%0.091CC..Hα-helixtrans-60.3-40.1175.5-57.7-9.7000112.1W440 F442 K1535 R1537 G1542 G1543W440-N1539 VanDerWaalsContact O-CA 3.27Å; W440-N1539 WeakPolarHBondContact O-CA 3.31Å; W440-N1539 WeakPolarHBondContact O-CB 3.17Å; W440-N1539 PolarHBondContact O-OD1 2.81Å; W440-N1539 VanDerWaalsContact O-OD1 3.12Å; F442-N1539 HydrophobicContact CB-CB 4.48Å; F442-N1539 WeakPolarHBondContact CB-ND2 3.42Å; F442-N1539 WeakPolarHBondContact CD2-ND2 3.45Å; F442-N1539 WeakPolarHBondContact CG-ND2 3.46Å; K1535-N1539 PolarHBondContact O-N 3.27Å; K1535-N1539 PolarHBondContact O-ND2 3.03Å; K1535-N1539 PolarHBondContact O-OD1 3.12Å; R1537-N1539 VanDerWaalsContact C-N 3.33Å; N1539-G1542 PolarHBondContact O-N 2.71Å; N1539-G1543 PolarHBondContact O-N 3.17Å
1540L80.7Confident83.7Confident3 Ų319.2 Ų19.22%0.0169%0.09CC..Hα-helixtrans-65.9-42.2173.4-82.9163.9000112.9L1477 L1483 V1486 L1504 L1536 R1537 L1538 G1542 G1543 M1544L1477-L1540 HydrophobicContact CD2-CD1 4.06Å; L1483-L1540 HydrophobicContact CD1-CD1 4.31Å; L1483-L1540 HydrophobicContact CD1-CD2 3.9Å; L1483-L1540 HydrophobicContact CD1-CG 3.77Å; V1486-L1540 HydrophobicContact CB-CD2 4.19Å; V1486-L1540 HydrophobicContact CG1-CD2 3.57Å; L1504-L1540 HydrophobicContact CD1-CB 3.84Å; L1504-L1540 HydrophobicContact CD2-CD1 4.49Å; L1536-L1540 PolarHBondContact O-N 2.61Å; R1537-L1540 PolarHBondContact O-N 3.34Å; L1538-L1540 VanDerWaalsContact C-N 3.31Å; L1538-L1540 PolarHBondContact O-N 2.71Å; L1540-G1542 PolarHBondContact O-N 3.16Å; L1540-G1543 PolarHBondContact O-N 3Å; L1540-M1544 WeakPolarHBondContact O-CE 3.38Å; L1540-M1544 PolarHBondContact O-N 3.16Å
1541V88.9Confident83.8Confident2 Ų220.7 Ų20.71%0.01210%0.101CC..Hα-helixtrans-61.9-36.8172.71750000110.7L1501 L1504 R1537 L1538 M1544 F1545 W1558L1501-V1541 HydrophobicContact CD2-CG1 4.17Å; L1501-V1541 HydrophobicContact CD2-CG2 4.35Å; L1504-V1541 HydrophobicContact CB-CG2 4.02Å; L1504-V1541 HydrophobicContact CD1-CG2 3.98Å; R1537-V1541 WeakPolarHBondContact O-CG2 3.4Å; R1537-V1541 PolarHBondContact O-N 3.35Å; L1538-V1541 CarbonylContact O-C 3.5Å; L1538-V1541 PolarHBondContact O-N 3.26Å; V1541-M1544 CarbonylContact O-C 3.6Å; V1541-M1544 PolarHBondContact O-N 3.16Å; V1541-M1544 VanDerWaalsContact O-N 3.1Å; V1541-F1545 HydrophobicContact CG1-CD2 4.32Å; V1541-F1545 WeakPolarHBondContact O-CA 3.33Å; V1541-F1545 PolarHBondContact O-N 3.46Å; V1541-W1558 HydrophobicContact CB-CH2 4.33Å; V1541-W1558 HydrophobicContact CG1-CD2 4.34Å; V1541-W1558 HydrophobicContact CG1-CE3 4.18Å; V1541-W1558 HydrophobicContact CG1-CH2 4.05Å; V1541-W1558 HydrophobicContact CG1-CZ2 4.17Å; V1541-W1558 HydrophobicContact CG1-CZ3 4.04Å; V1541-W1558 HydrophobicContact CG2-CH2 3.29Å; V1541-W1558 HydrophobicContact CG2-CZ2 3.83Å; V1541-W1558 HydrophobicContact CG2-CZ3 3.79Å
1542G86.6Confident83.7Confident0 Ų023.8 Ų23.80%012%0.121CC..Hα-helixtrans-58.5-47.7173.500000113.8R439 L1538 N1539 L1540 M1544 F1545R439-G1542 WeakPolarHBondContact CB-O 3.46Å; R439-G1542 CarbonylContact O-C 3.59Å; R439-G1542 WeakPolarHBondContact O-CA 3.24Å; L1538-G1542 PolarHBondContact O-N 2.92Å; N1539-G1542 PolarHBondContact O-N 2.71Å; L1540-G1542 PolarHBondContact O-N 3.16Å; G1542-M1544 PolarHBondContact O-N 3.28Å; G1542-M1544 VanDerWaalsContact O-N 3.09Å; G1542-F1545 VanDerWaalsContact O-CB 3.3Å; G1542-F1545 WeakPolarHBondContact O-CB 3.38Å; G1542-F1545 PolarHBondContact O-N 3.02Å; G1542-F1545 VanDerWaalsContact O-N 3.12Å
1543G78.2Confident84.2Confident16 Ų1625.5 Ų25.517%0.16513%0.129CC..Hα-helixtrans-56.8-24.7172.300000114.1N1539 L1540N1539-G1543 PolarHBondContact O-N 3.17Å; L1540-G1543 PolarHBondContact O-N 3Å
1544M85.1Confident84.7Confident0 Ų026.6 Ų26.60%013%0.133CC..THydrogen-bonded Turntrans-110.210.2-179.9-60.7-175.6-76.700114.1L1490 R1497 L1500 L1501 L1504 L1540 V1541 G1542 D1546 T1547L1490-M1544 HydrophobicContact CD1-CG 3.88Å; L1490-M1544 HydrophobicContact CD1-SD 4.09Å; L1490-M1544 HydrophobicContact CD2-CG 3.95Å; L1490-M1544 HydrophobicContact CD2-SD 3.52Å; L1490-M1544 VanDerWaalsContact CD2-SD 3.52Å; L1490-M1544 HydrophobicContact CG-SD 4.5Å; R1497-M1544 HydrophobicContact CB-SD 4.22Å; R1497-M1544 HydrophobicContact CG-CG 4.29Å; R1497-M1544 HydrophobicContact CG-SD 4.05Å; L1500-M1544 HydrophobicContact CB-CE 4.31Å; L1500-M1544 HydrophobicContact CB-SD 4.38Å; L1500-M1544 HydrophobicContact CD2-CE 3.77Å; L1500-M1544 HydrophobicContact CD2-SD 4.1Å; L1500-M1544 HydrophobicContact CG-CE 3.95Å; L1501-M1544 HydrophobicContact CD1-CB 4.03Å; L1501-M1544 HydrophobicContact CD2-CB 4.1Å; L1501-M1544 HydrophobicContact CD2-CE 3.96Å; L1501-M1544 HydrophobicContact CG-CB 4.1Å; L1501-M1544 HydrophobicContact CG-CE 3.92Å; L1501-M1544 HydrophobicContact CG-SD 4.04Å; L1504-M1544 HydrophobicContact CD1-CE 3.52Å; L1540-M1544 WeakPolarHBondContact O-CE 3.38Å; L1540-M1544 PolarHBondContact O-N 3.16Å; V1541-M1544 CarbonylContact O-C 3.6Å; V1541-M1544 PolarHBondContact O-N 3.16Å; V1541-M1544 VanDerWaalsContact O-N 3.1Å; G1542-M1544 PolarHBondContact O-N 3.28Å; G1542-M1544 VanDerWaalsContact O-N 3.09Å; M1544-D1546 PolarHBondContact O-N 3.01Å; M1544-D1546 VanDerWaalsContact O-N 3.12Å; M1544-T1547 VanDerWaalsContact O-CB 3.26Å; M1544-T1547 WeakPolarHBondContact O-CB 3.45Å; M1544-T1547 PolarHBondContact O-N 2.97Å; M1544-T1547 PolarHBondContact O-OG1 3.48Å
1545F88.5Confident84.9Confident2 Ų226.9 Ų26.91%0.00914%0.135CC..Hα-helixtrans-64.9-23.7-165.7-152.6-93.2000114.2Y382 W440 V1541 G1542 T1547 V1548 Q1549 M1586 V1589 L1590Y382-F1545 WeakPolarHBondContact OH-CB 3.2Å; Y382-F1545 VanDerWaalsContact OH-CD1 3.31Å; Y382-F1545 WeakPolarHBondContact OH-CD1 3.39Å; W440-F1545 HydrophobicContact CE3-CD2 4.3Å; W440-F1545 HydrophobicContact CE3-CE2 4.35Å; W440-F1545 HydrophobicContact CH2-CE1 4.16Å; W440-F1545 HydrophobicContact CH2-CE2 4.37Å; W440-F1545 HydrophobicContact CH2-CZ 4.01Å; W440-F1545 HydrophobicContact CZ3-CD1 4.01Å; W440-F1545 AromaticContact CZ3-CD2 3.8Å; W440-F1545 HydrophobicContact CZ3-CD2 3.8Å; W440-F1545 AromaticContact CZ3-CE1 3.91Å; W440-F1545 HydrophobicContact CZ3-CE1 3.91Å; W440-F1545 AromaticContact CZ3-CE2 3.7Å; W440-F1545 HydrophobicContact CZ3-CE2 3.7Å; W440-F1545 AromaticContact CZ3-CG 3.94Å; W440-F1545 HydrophobicContact CZ3-CG 3.94Å; W440-F1545 AromaticContact CZ3-CZ 3.73Å; W440-F1545 HydrophobicContact CZ3-CZ 3.73Å; V1541-F1545 HydrophobicContact CG1-CD2 4.32Å; V1541-F1545 WeakPolarHBondContact O-CA 3.33Å; V1541-F1545 PolarHBondContact O-N 3.46Å; G1542-F1545 VanDerWaalsContact O-CB 3.3Å; G1542-F1545 WeakPolarHBondContact O-CB 3.38Å; G1542-F1545 PolarHBondContact O-N 3.02Å; G1542-F1545 VanDerWaalsContact O-N 3.12Å; F1545-T1547 VanDerWaalsContact C-N 3.28Å; F1545-T1547 PolarHBondContact O-N 3.3Å; F1545-V1548 WeakPolarHBondContact O-CB 3.43Å; F1545-V1548 PolarHBondContact O-N 3.3Å; F1545-Q1549 HydrophobicContact CD1-CG 4.22Å; F1545-Q1549 HydrophobicContact CE1-CG 4.41Å; F1545-Q1549 PolarHBondContact O-N 2.78Å; F1545-Q1549 VanDerWaalsContact O-N 3.07Å; F1545-M1586 HydrophobicContact CD2-CE 4.27Å; F1545-M1586 HydrophobicContact CE2-CB 4.03Å; F1545-M1586 HydrophobicContact CE2-CE 4.11Å; F1545-M1586 HydrophobicContact CE2-CG 3.79Å; F1545-M1586 HydrophobicContact CE2-SD 4.06Å; F1545-M1586 HydrophobicContact CZ-CB 4.04Å; F1545-M1586 HydrophobicContact CZ-CG 4.19Å; F1545-V1589 HydrophobicContact CE1-CB 4.29Å; F1545-V1589 HydrophobicContact CE1-CG1 3.86Å; F1545-L1590 HydrophobicContact CD1-CD2 4.46Å; F1545-L1590 HydrophobicContact CE1-CD2 3.59Å; F1545-L1590 HydrophobicContact CE1-CG 3.99Å; F1545-L1590 HydrophobicContact CZ-CD1 4.28Å; F1545-L1590 HydrophobicContact CZ-CD2 3.72Å; F1545-L1590 HydrophobicContact CZ-CG 3.7Å
1546D83.7Confident85.2Confident10 Ų1027.1 Ų27.15%0.05314%0.138CC..Hα-helixtrans-67.4-28.9171.769.3-73.6000112.6L384 R439 M1544 Q1549 R1550L384-D1546 HydrophobicContact CD1-CB 4.27Å; L384-D1546 HydrophobicContact CD2-CB 3.96Å; R439-D1546 IonicContact CZ-OD1 2.93Å; R439-D1546 IonicContact NH1-OD1 3.25Å; R439-D1546 PolarHBondContact NH1-OD1 3.31Å; R439-D1546 IonicContact NH2-OD1 3.99Å; M1544-D1546 PolarHBondContact O-N 3.01Å; M1544-D1546 VanDerWaalsContact O-N 3.12Å; D1546-Q1549 PolarHBondContact O-N 2.74Å; D1546-R1550 VanDerWaalsContact O-CG 3.24Å; D1546-R1550 WeakPolarHBondContact O-CG 3.11Å; D1546-R1550 PolarHBondContact O-N 3.02Å; D1546-R1550 IonicContact OD2-CZ 2.76Å; D1546-R1550 IonicContact OD2-NE 3.41Å; D1546-R1550 PolarHBondContact OD2-NE 2.89Å; D1546-R1550 IonicContact OD2-NH2 3.97Å; D1546-R1550 PolarHBondContact OD2-NH2 3.39Å
1547T85.5Confident86Confident9 Ų929.6 Ų29.66%0.05515%0.149CC..Hα-helixtrans-67.2-44.5173.6-52.40000110E1498 L1501 M1544 F1545 Q1549 R1550E1498-T1547 HydrophobicContact CG-CG2 4.04Å; L1501-T1547 HydrophobicContact CD1-CG2 3.78Å; M1544-T1547 VanDerWaalsContact O-CB 3.26Å; M1544-T1547 WeakPolarHBondContact O-CB 3.45Å; M1544-T1547 PolarHBondContact O-N 2.97Å; M1544-T1547 PolarHBondContact O-OG1 3.48Å; F1545-T1547 VanDerWaalsContact C-N 3.28Å; F1545-T1547 PolarHBondContact O-N 3.3Å; T1547-Q1549 VanDerWaalsContact C-N 3.28Å; T1547-Q1549 PolarHBondContact O-N 3.48Å; T1547-R1550 PolarHBondContact O-N 3.38Å; T1547-R1550 VanDerWaalsContact O-N 3.13Å
1548V88Confident86.5Confident0 Ų029.2 Ų29.20%015%0.147CC..Hα-helixtrans-58-40174.5179.30000111.7L1501 F1545 Q1554 T1555 W1558 L1590L1501-V1548 HydrophobicContact CD1-CG2 3.87Å; L1501-V1548 HydrophobicContact CD2-CG2 3.8Å; F1545-V1548 WeakPolarHBondContact O-CB 3.43Å; F1545-V1548 PolarHBondContact O-N 3.3Å; V1548-Q1554 HydrophobicContact CG1-CB 4.45Å; V1548-T1555 PolarHBondContact O-N 2.92Å; V1548-T1555 PolarHBondContact O-OG1 3.25Å; V1548-W1558 HydrophobicContact CG1-CB 3.87Å; V1548-W1558 HydrophobicContact CG1-CG 3.84Å; V1548-W1558 HydrophobicContact CG2-CG 4.35Å; V1548-L1590 HydrophobicContact CG1-CD2 3.97Å
1549Q85.1Confident86.7Confident31 Ų3129.2 Ų29.215%0.14515%0.147CC..Hα-helixtrans-74.2-24.6177.9-74.4-172-30.500114.6L384 F1545 D1546 T1547 S1551 L1590L384-Q1549 HydrophobicContact CD1-CB 3.64Å; F1545-Q1549 HydrophobicContact CD1-CG 4.22Å; F1545-Q1549 HydrophobicContact CE1-CG 4.41Å; F1545-Q1549 PolarHBondContact O-N 2.78Å; F1545-Q1549 VanDerWaalsContact O-N 3.07Å; D1546-Q1549 PolarHBondContact O-N 2.74Å; T1547-Q1549 VanDerWaalsContact C-N 3.28Å; T1547-Q1549 PolarHBondContact O-N 3.48Å; Q1549-S1551 VanDerWaalsContact C-N 3.29Å; Q1549-S1551 PolarHBondContact O-N 3.03Å; Q1549-L1590 HydrophobicContact CG-CD2 4.08Å
1550R81Confident87.3Confident146 Ų14631.2 Ų31.255%0.55116%0.156SC*.Hα-helixtrans-66.6-29.2176.6-74.1165.8-158.7-15110.8112.6L384 D1494 D1546 T1547L384-R1550 HydrophobicContact CD1-CG 4.36Å; D1494-R1550 IonicContact OD2-NH1 3.73Å; D1494-R1550 PolarHBondContact OD2-NH1 2.95Å; D1546-R1550 VanDerWaalsContact O-CG 3.24Å; D1546-R1550 WeakPolarHBondContact O-CG 3.11Å; D1546-R1550 PolarHBondContact O-N 3.02Å; D1546-R1550 IonicContact OD2-CZ 2.76Å; D1546-R1550 IonicContact OD2-NE 3.41Å; D1546-R1550 PolarHBondContact OD2-NE 2.89Å; D1546-R1550 IonicContact OD2-NH2 3.97Å; D1546-R1550 PolarHBondContact OD2-NH2 3.39Å; T1547-R1550 PolarHBondContact O-N 3.38Å; T1547-R1550 VanDerWaalsContact O-N 3.13Å
1551S83.3Confident87.9Confident38 Ų3831.3 Ų31.327%0.26616%0.157SC..  trans-109.4117.9-179.1175.50000111.9Q1549 Q1553 Q1554 T1555Q1549-S1551 VanDerWaalsContact C-N 3.29Å; Q1549-S1551 PolarHBondContact O-N 3.03Å; S1551-Q1553 PolarHBondContact O-N 3.11Å; S1551-Q1553 VanDerWaalsContact O-N 3.16Å; S1551-Q1553 PolarHBondContact OG-N 2.93Å; S1551-Q1554 PolarHBondContact O-N 3.31Å; S1551-Q1554 PolarHBondContact OG-N 3.5Å; S1551-T1555 WeakPolarHBondContact O-CB 3.45Å; S1551-T1555 PolarHBondContact O-N 3.41Å; S1551-T1555 PolarHBondContact O-OG1 3.01Å
1552T83.7Confident88.2Confident80 Ų8031.3 Ų31.349%0.49116%0.157SC..Hα-helixtrans-59.2-27.7175-39.20000112.3T1556 A1613T1552-T1556 WeakPolarHBondContact O-CB 3.43Å; T1552-T1556 PolarHBondContact O-N 3.49Å; T1552-T1556 PolarHBondContact O-OG1 2.97Å; T1552-A1613 HydrophobicContact CG2-CB 3.74Å
1553Q87.6Confident88.6Confident127 Ų12731.4 Ų31.459%0.59316%0.157SC*.Hα-helixtrans-71.3-54.5174.3179.7169.6-12.800111S1551 T1555 T1556 E1557S1551-Q1553 PolarHBondContact O-N 3.11Å; S1551-Q1553 VanDerWaalsContact O-N 3.16Å; S1551-Q1553 PolarHBondContact OG-N 2.93Å; Q1553-T1555 VanDerWaalsContact C-N 3.34Å; Q1553-T1555 PolarHBondContact O-N 3.46Å; Q1553-T1556 WeakPolarHBondContact O-CA 3.36Å; Q1553-T1556 WeakPolarHBondContact O-CB 3.42Å; Q1553-T1556 PolarHBondContact O-N 3.43Å; Q1553-E1557 HydrophobicContact CG-CG 4.43Å; Q1553-E1557 VanDerWaalsContact CG-OE1 3.24Å; Q1553-E1557 WeakPolarHBondContact CG-OE1 3.32Å; Q1553-E1557 PolarHBondContact NE2-OE1 3.35Å; Q1553-E1557 PolarHBondContact O-N 3.29Å
1554Q88.5Confident89.2Confident31 Ų3133.2 Ų33.215%0.14516%0.161CC..Hα-helixtrans-59.4-43.8178.2-67.1-179.518.600111.5E1498 V1548 S1551 T1556 E1557 W1558E1498-Q1554 PolarHBondContact OE1-NE2 3.1Å; V1548-Q1554 HydrophobicContact CG1-CB 4.45Å; S1551-Q1554 PolarHBondContact O-N 3.31Å; S1551-Q1554 PolarHBondContact OG-N 3.5Å; Q1554-T1556 PolarHBondContact O-N 2.82Å; Q1554-E1557 PolarHBondContact O-N 2.97Å; Q1554-W1558 WeakPolarHBondContact O-CB 3.21Å; Q1554-W1558 PolarHBondContact O-N 2.8Å
1555T90.4Very high89.6Confident7 Ų733.2 Ų33.24%0.04316%0.161CC..Hα-helixtrans-52.3-39.8172.2-72.80000112V1548 S1551 Q1553 A1559 L1590 T1594V1548-T1555 PolarHBondContact O-N 2.92Å; V1548-T1555 PolarHBondContact O-OG1 3.25Å; S1551-T1555 WeakPolarHBondContact O-CB 3.45Å; S1551-T1555 PolarHBondContact O-N 3.41Å; S1551-T1555 PolarHBondContact O-OG1 3.01Å; Q1553-T1555 VanDerWaalsContact C-N 3.34Å; Q1553-T1555 PolarHBondContact O-N 3.46Å; T1555-A1559 WeakPolarHBondContact O-CB 3.27Å; T1555-A1559 PolarHBondContact O-N 3.03Å; T1555-A1559 VanDerWaalsContact O-N 3.13Å; T1555-L1590 HydrophobicContact CG2-CB 4.42Å; T1555-L1590 HydrophobicContact CG2-CD2 4.32Å; T1555-T1594 HydrophobicContact CG2-CG2 3.91Å
1556T91.5Very high89.8Confident20 Ų2033.5 Ų33.512%0.12316%0.163CC..Hα-helixtrans-76.3-40.4179.9-56.60000112.3T1552 Q1553 Q1554 Q1560 L1617 K1620T1552-T1556 WeakPolarHBondContact O-CB 3.43Å; T1552-T1556 PolarHBondContact O-N 3.49Å; T1552-T1556 PolarHBondContact O-OG1 2.97Å; Q1553-T1556 WeakPolarHBondContact O-CA 3.36Å; Q1553-T1556 WeakPolarHBondContact O-CB 3.42Å; Q1553-T1556 PolarHBondContact O-N 3.43Å; Q1554-T1556 PolarHBondContact O-N 2.82Å; T1556-Q1560 WeakPolarHBondContact O-CG 3.36Å; T1556-Q1560 PolarHBondContact O-N 3.38Å; T1556-L1617 HydrophobicContact CG2-CD1 4.19Å; T1556-K1620 HydrophobicContact CG2-CD 3.3Å
1557E92.6Very high90.1Very high75 Ų7534 Ų3435%0.3517%0.165SC..Hα-helixtrans-68.3-49.2-179.6-72.2163.5172.500110.8Q1553 Q1554 A1559 Q1560 L1561Q1553-E1557 HydrophobicContact CG-CG 4.43Å; Q1553-E1557 VanDerWaalsContact CG-OE1 3.24Å; Q1553-E1557 WeakPolarHBondContact CG-OE1 3.32Å; Q1553-E1557 PolarHBondContact NE2-OE1 3.35Å; Q1553-E1557 PolarHBondContact O-N 3.29Å; Q1554-E1557 PolarHBondContact O-N 2.97Å; E1557-A1559 PolarHBondContact O-N 2.9Å; E1557-Q1560 PolarHBondContact O-N 3.45Å; E1557-L1561 PolarHBondContact O-N 3.19Å
1558W95.1Very high90.2Very high9 Ų934.6 Ų34.63%0.03417%0.17CC..Hα-helixtrans-61.8-39.7173.5-81.1102.3000113.1L1501 L1504 H1505 V1541 V1548 Q1554 Q1560 L1561 L1562 L1590L1501-W1558 HydrophobicContact CD2-CZ2 3.95Å; L1501-W1558 WeakPolarHBondContact O-CZ2 3.39Å; L1504-W1558 HydrophobicContact CB-CH2 4.22Å; H1505-W1558 HydrophobicContact CB-CH2 3.98Å; H1505-W1558 HydrophobicContact CB-CZ2 3.63Å; H1505-W1558 AromaticContact CD2-CD2 3.97Å; H1505-W1558 AromaticContact CD2-CE2 3.89Å; V1541-W1558 HydrophobicContact CB-CH2 4.33Å; V1541-W1558 HydrophobicContact CG1-CD2 4.34Å; V1541-W1558 HydrophobicContact CG1-CE3 4.18Å; V1541-W1558 HydrophobicContact CG1-CH2 4.05Å; V1541-W1558 HydrophobicContact CG1-CZ2 4.17Å; V1541-W1558 HydrophobicContact CG1-CZ3 4.04Å; V1541-W1558 HydrophobicContact CG2-CH2 3.29Å; V1541-W1558 HydrophobicContact CG2-CZ2 3.83Å; V1541-W1558 HydrophobicContact CG2-CZ3 3.79Å; V1548-W1558 HydrophobicContact CG1-CB 3.87Å; V1548-W1558 HydrophobicContact CG1-CG 3.84Å; V1548-W1558 HydrophobicContact CG2-CG 4.35Å; Q1554-W1558 WeakPolarHBondContact O-CB 3.21Å; Q1554-W1558 PolarHBondContact O-N 2.8Å; W1558-Q1560 VanDerWaalsContact C-N 3.33Å; W1558-Q1560 PolarHBondContact O-N 3.43Å; W1558-L1561 HydrophobicContact CE3-CD2 4.11Å; W1558-L1561 HydrophobicContact CZ3-CD2 3.92Å; W1558-L1561 PolarHBondContact O-N 3.46Å; W1558-L1562 WeakPolarHBondContact O-CB 3.32Å; W1558-L1562 VanDerWaalsContact O-CG 3.24Å; W1558-L1562 WeakPolarHBondContact O-CG 3.45Å; W1558-L1562 PolarHBondContact O-N 3.03Å; W1558-L1590 HydrophobicContact CB-CD1 4.15Å
1559A94.2Very high90Very high0 Ų035.9 Ų35.90%018%0.183CC..Hα-helixtrans-65.3-34.8175.500000112.8T1555 E1557 L1563 L1587 L1590 L1617 L1621T1555-A1559 WeakPolarHBondContact O-CB 3.27Å; T1555-A1559 PolarHBondContact O-N 3.03Å; T1555-A1559 VanDerWaalsContact O-N 3.13Å; E1557-A1559 PolarHBondContact O-N 2.9Å; A1559-L1563 VanDerWaalsContact O-CB 3.26Å; A1559-L1563 WeakPolarHBondContact O-CB 3.49Å; A1559-L1563 PolarHBondContact O-N 2.91Å; A1559-L1563 VanDerWaalsContact O-N 3.14Å; A1559-L1587 HydrophobicContact CB-CD1 3.89Å; A1559-L1590 HydrophobicContact CB-CD1 3.95Å; A1559-L1617 HydrophobicContact CB-CD1 3.76Å; A1559-L1621 HydrophobicContact CB-CD2 4.3Å; A1559-L1621 WeakPolarHBondContact O-CD2 3.18Å
1560Q94.1Very high90.1Very high49 Ų4934.4 Ų34.423%0.22918%0.176CC..Hα-helixtrans-69.5-40.5172.1-73.2-174.5-89.400111.6T1556 E1557 W1558 L1563 E1564 K1620 L1621 D1624T1556-Q1560 WeakPolarHBondContact O-CG 3.36Å; T1556-Q1560 PolarHBondContact O-N 3.38Å; E1557-Q1560 PolarHBondContact O-N 3.45Å; W1558-Q1560 VanDerWaalsContact C-N 3.33Å; W1558-Q1560 PolarHBondContact O-N 3.43Å; Q1560-L1563 PolarHBondContact O-N 3.19Å; Q1560-E1564 WeakPolarHBondContact O-CB 3.42Å; Q1560-E1564 PolarHBondContact O-N 2.89Å; Q1560-K1620 HydrophobicContact CG-CB 4.39Å; Q1560-L1621 HydrophobicContact CG-CD2 4.37Å; Q1560-D1624 PolarHBondContact NE2-OD2 3.06Å
1561L94.7Very high90.4Very high5 Ų527.4 Ų27.43%0.02615%0.15CC..Hα-helixtrans-66.5-45.6177.7179.856.1000112.7H1505 V1508 H1509 E1557 W1558 L1563 E1564 I1565H1505-L1561 HydrophobicContact CB-CD2 4.48Å; V1508-L1561 HydrophobicContact CB-CD2 4.1Å; V1508-L1561 HydrophobicContact CG1-CD1 4.24Å; V1508-L1561 HydrophobicContact CG1-CD2 3.93Å; V1508-L1561 HydrophobicContact CG1-CG 4.06Å; H1509-L1561 HydrophobicContact CB-CD1 3.85Å; H1509-L1561 HydrophobicContact CB-CD2 4.43Å; E1557-L1561 PolarHBondContact O-N 3.19Å; W1558-L1561 HydrophobicContact CE3-CD2 4.11Å; W1558-L1561 HydrophobicContact CZ3-CD2 3.92Å; W1558-L1561 PolarHBondContact O-N 3.46Å; L1561-L1563 VanDerWaalsContact C-N 3.31Å; L1561-L1563 PolarHBondContact O-N 3.47Å; L1561-E1564 WeakPolarHBondContact O-CA 3.42Å; L1561-E1564 WeakPolarHBondContact O-CB 3.41Å; L1561-E1564 PolarHBondContact O-N 3.22Å; L1561-I1565 WeakPolarHBondContact O-CG1 3.45Å; L1561-I1565 PolarHBondContact O-N 3.43Å
1562L95.1Very high90.5Very high2 Ų227.9 Ų27.91%0.0115%0.15CC..Hα-helixtrans-60.2-41.2175.1-70.9165.6000111.5L1538 W1558 E1564 I1565 V1583 M1586 L1590L1538-L1562 HydrophobicContact CD2-CD2 3.85Å; W1558-L1562 WeakPolarHBondContact O-CB 3.32Å; W1558-L1562 VanDerWaalsContact O-CG 3.24Å; W1558-L1562 WeakPolarHBondContact O-CG 3.45Å; W1558-L1562 PolarHBondContact O-N 3.03Å; L1562-E1564 VanDerWaalsContact C-N 3.31Å; L1562-E1564 PolarHBondContact O-N 3.49Å; L1562-I1565 HydrophobicContact CD2-CD1 4.36Å; L1562-V1583 HydrophobicContact CB-CG1 4.08Å; L1562-V1583 HydrophobicContact CD2-CG1 3.97Å; L1562-V1583 HydrophobicContact CD2-CG2 4.46Å; L1562-V1583 VanDerWaalsContact O-CG1 3.31Å; L1562-V1583 WeakPolarHBondContact O-CG1 3.42Å; L1562-M1586 HydrophobicContact CD1-CB 3.82Å; L1562-M1586 HydrophobicContact CD2-CB 4.29Å; L1562-M1586 HydrophobicContact CD2-SD 3.97Å; L1562-L1590 HydrophobicContact CD1-CD1 3.82Å
1563L93.6Very high90.5Very high2 Ų226.8 Ų26.81%0.0114%0.139CC..Hα-helixtrans-62.2-39.2171176.362.9000111.7A1559 Q1560 L1561 I1565 I1566 I1567 L1621 D1624 L1625 V1636A1559-L1563 VanDerWaalsContact O-CB 3.26Å; A1559-L1563 WeakPolarHBondContact O-CB 3.49Å; A1559-L1563 PolarHBondContact O-N 2.91Å; A1559-L1563 VanDerWaalsContact O-N 3.14Å; Q1560-L1563 PolarHBondContact O-N 3.19Å; L1561-L1563 VanDerWaalsContact C-N 3.31Å; L1561-L1563 PolarHBondContact O-N 3.47Å; L1563-I1565 PolarHBondContact O-N 3.19Å; L1563-I1566 PolarHBondContact O-N 2.95Å; L1563-I1567 HydrophobicContact CD1-CD1 3.74Å; L1563-I1567 HydrophobicContact CD1-CG1 3.98Å; L1563-I1567 HydrophobicContact CD2-CD1 3.97Å; L1563-I1567 HydrophobicContact CG-CD1 3.58Å; L1563-I1567 HydrophobicContact CG-CG1 4.15Å; L1563-I1567 WeakPolarHBondContact O-CG1 3.32Å; L1563-I1567 PolarHBondContact O-N 3.48Å; L1563-L1621 HydrophobicContact CB-CD2 4.13Å; L1563-L1621 HydrophobicContact CD2-CB 3.97Å; L1563-L1621 HydrophobicContact CD2-CD2 3.58Å; L1563-L1621 HydrophobicContact CD2-CG 4.37Å; L1563-L1621 HydrophobicContact CG-CD2 4.46Å; L1563-D1624 HydrophobicContact CD2-CB 4.29Å; L1563-L1625 HydrophobicContact CD1-CD2 4.06Å; L1563-L1625 HydrophobicContact CD1-CG 4.15Å; L1563-L1625 HydrophobicContact CD2-CG 4.33Å; L1563-V1636 HydrophobicContact CD1-CG1 3.59Å
1564E92.2Very high90.3Very high55 Ų5528.8 Ų28.826%0.25715%0.149SC..Hα-helixtrans-68.9-32.5-177.2-159.9168.9-156.600113.3H1509 V1512 R1516 Q1560 L1561 L1562 I1566 I1567 S1568H1509-E1564 IonicContact CD2-OE2 2.68Å; V1512-E1564 HydrophobicContact CG1-CG 4.04Å; R1516-E1564 IonicContact CZ-OE1 3.01Å; R1516-E1564 IonicContact NH1-OE1 2.68Å; R1516-E1564 PolarHBondContact NH1-OE1 2.61Å; R1516-E1564 VanDerWaalsContact NH2-CD 3.32Å; R1516-E1564 IonicContact NH2-OE1 2.69Å; R1516-E1564 PolarHBondContact NH2-OE1 3.06Å; Q1560-E1564 WeakPolarHBondContact O-CB 3.42Å; Q1560-E1564 PolarHBondContact O-N 2.89Å; L1561-E1564 WeakPolarHBondContact O-CA 3.42Å; L1561-E1564 WeakPolarHBondContact O-CB 3.41Å; L1561-E1564 PolarHBondContact O-N 3.22Å; L1562-E1564 VanDerWaalsContact C-N 3.31Å; L1562-E1564 PolarHBondContact O-N 3.49Å; E1564-I1566 VanDerWaalsContact C-N 3.27Å; E1564-I1566 PolarHBondContact O-N 2.84Å; E1564-I1567 PolarHBondContact O-N 2.68Å; E1564-S1568 WeakPolarHBondContact O-CB 3.38Å; E1564-S1568 PolarHBondContact O-N 2.88Å; E1564-S1568 PolarHBondContact O-OG 3.31Å
1565I92.9Very high90Very high0 Ų030.2 Ų30.20%016%0.162CC..Hα-helixtrans-57.3-38.6170.6-64166.8000111.6V1508 V1512 L1534 L1561 L1562 L1563 S1568 T1570 V1571 V1583V1508-I1565 HydrophobicContact CG1-CD1 3.69Å; V1508-I1565 HydrophobicContact CG1-CG1 4.26Å; V1512-I1565 HydrophobicContact CG2-CB 4.31Å; V1512-I1565 HydrophobicContact CG2-CG1 3.57Å; L1534-I1565 HydrophobicContact CD1-CD1 4.45Å; L1534-I1565 HydrophobicContact CD2-CG2 4.16Å; L1561-I1565 WeakPolarHBondContact O-CG1 3.45Å; L1561-I1565 PolarHBondContact O-N 3.43Å; L1562-I1565 HydrophobicContact CD2-CD1 4.36Å; L1563-I1565 PolarHBondContact O-N 3.19Å; I1565-S1568 PolarHBondContact O-OG 3.01Å; I1565-T1570 PolarHBondContact O-N 3.24Å; I1565-T1570 VanDerWaalsContact O-N 3.15Å; I1565-V1571 HydrophobicContact CG2-CB 3.84Å; I1565-V1571 HydrophobicContact CG2-CG2 3.54Å; I1565-V1571 PolarHBondContact O-N 3.45Å; I1565-V1583 HydrophobicContact CG2-CG2 4.49Å
1566I92.5Very high89.8Confident8 Ų831.3 Ų31.34%0.04117%0.168CC..Hα-helixtrans-78.6-44.5177.5-56.7173.8000110.2L1563 E1564 S1568 G1569 F1580 V1583 L1633 V1636L1563-I1566 PolarHBondContact O-N 2.95Å; E1564-I1566 VanDerWaalsContact C-N 3.27Å; E1564-I1566 PolarHBondContact O-N 2.84Å; I1566-S1568 VanDerWaalsContact C-N 3.29Å; I1566-S1568 PolarHBondContact O-N 3.24Å; I1566-G1569 PolarHBondContact O-N 3.42Å; I1566-F1580 HydrophobicContact CD1-CD2 4.4Å; I1566-F1580 HydrophobicContact CD1-CE2 4.01Å; I1566-F1580 HydrophobicContact CG1-CD2 4.39Å; I1566-F1580 HydrophobicContact CG1-CE2 4.3Å; I1566-F1580 HydrophobicContact CG2-CE2 3.98Å; I1566-V1583 HydrophobicContact CD1-CG1 3.91Å; I1566-V1583 HydrophobicContact CG1-CG1 3.94Å; I1566-L1633 HydrophobicContact CG2-CD2 3.92Å; I1566-V1636 HydrophobicContact CD1-CG2 3.72Å; I1566-V1636 HydrophobicContact CG2-CG2 4.14Å
1567I90.3Very high89.7Confident19 Ų1934.2 Ų34.210%0.09718%0.183CC..Hα-helixtrans-66.9-26.2-178.2-73-177000113L1563 E1564 G1569 D1624 L1625 R1628 L1633L1563-I1567 HydrophobicContact CD1-CD1 3.74Å; L1563-I1567 HydrophobicContact CD1-CG1 3.98Å; L1563-I1567 HydrophobicContact CD2-CD1 3.97Å; L1563-I1567 HydrophobicContact CG-CD1 3.58Å; L1563-I1567 HydrophobicContact CG-CG1 4.15Å; L1563-I1567 WeakPolarHBondContact O-CG1 3.32Å; L1563-I1567 PolarHBondContact O-N 3.48Å; E1564-I1567 PolarHBondContact O-N 2.68Å; I1567-G1569 VanDerWaalsContact C-N 3.33Å; I1567-D1624 WeakPolarHBondContact CD1-O 3.36Å; I1567-L1625 HydrophobicContact CD1-CD2 4.02Å; I1567-L1625 HydrophobicContact CD1-CG 4.19Å; I1567-L1625 HydrophobicContact CG1-CD2 4.37Å; I1567-R1628 PolarHBondContact O-NH1 3.25Å; I1567-R1628 VanDerWaalsContact O-NH1 3.1Å; I1567-L1633 HydrophobicContact CG1-CD2 3.93Å
1568S87.3Confident89.5Confident22 Ų2235.3 Ų35.315%0.15419%0.188CC..THydrogen-bonded Turntrans-78.1-14171.959.40000113.9E1564 I1565 I1566 T1570E1564-S1568 WeakPolarHBondContact O-CB 3.38Å; E1564-S1568 PolarHBondContact O-N 2.88Å; E1564-S1568 PolarHBondContact O-OG 3.31Å; I1565-S1568 PolarHBondContact O-OG 3.01Å; I1566-S1568 VanDerWaalsContact C-N 3.29Å; I1566-S1568 PolarHBondContact O-N 3.24Å; S1568-T1570 PolarHBondContact O-N 3.18Å; S1568-T1570 WeakPolarHBondContact OG-CB 3.45Å; S1568-T1570 PolarHBondContact OG-N 3.04Å; S1568-T1570 PolarHBondContact OG-OG1 3.37Å
1569G84.6Confident89.2Confident27 Ų2734.9 Ų34.928%0.27819%0.186SC..THydrogen-bonded Turntrans65.724.2-167.400000113.2W1515 I1566 I1567 V1571W1515-G1569 WeakPolarHBondContact CZ2-O 3.26Å; W1515-G1569 VanDerWaalsContact NE1-C 3.34Å; W1515-G1569 PolarHBondContact NE1-O 3.5Å; I1566-G1569 PolarHBondContact O-N 3.42Å; I1567-G1569 VanDerWaalsContact C-N 3.33Å; G1569-V1571 VanDerWaalsContact C-N 3.29Å
1570T86.1Confident89.2Confident0 Ų035 Ų350%019%0.187CC..SBendtrans-69.6-33.5172.3-57.50000110.6I1511 W1515 M1530 H1531 L1534 I1565 S1568I1511-T1570 HydrophobicContact CG2-CG2 4.33Å; W1515-T1570 HydrophobicContact CB-CG2 4.33Å; W1515-T1570 WeakPolarHBondContact CB-OG1 3.44Å; W1515-T1570 HydrophobicContact CD2-CG2 4.22Å; W1515-T1570 HydrophobicContact CE3-CG2 4.49Å; W1515-T1570 HydrophobicContact CG-CG2 4.16Å; W1515-T1570 VanDerWaalsContact CG-OG1 3.27Å; M1530-T1570 HydrophobicContact CE-CG2 3.84Å; M1530-T1570 HydrophobicContact SD-CG2 4.2Å; H1531-T1570 PolarHBondContact NE2-O 2.94Å; L1534-T1570 HydrophobicContact CD2-CG2 4.19Å; I1565-T1570 PolarHBondContact O-N 3.24Å; I1565-T1570 VanDerWaalsContact O-N 3.15Å; S1568-T1570 PolarHBondContact O-N 3.18Å; S1568-T1570 WeakPolarHBondContact OG-CB 3.45Å; S1568-T1570 PolarHBondContact OG-N 3.04Å; S1568-T1570 PolarHBondContact OG-OG1 3.37Å
1571V87.5Confident89.2Confident0 Ų033.6 Ų33.60%018%0.182CC..SBendtrans-136.3124.7170.3-175.20000108.4L1534 I1565 G1569 L1579 F1580L1534-V1571 HydrophobicContact CD2-CG2 3.64Å; I1565-V1571 HydrophobicContact CG2-CB 3.84Å; I1565-V1571 HydrophobicContact CG2-CG2 3.54Å; I1565-V1571 PolarHBondContact O-N 3.45Å; G1569-V1571 VanDerWaalsContact C-N 3.29Å; V1571-L1579 HydrophobicContact CG1-CB 3.84Å; V1571-L1579 HydrophobicContact CG1-CD2 4.26Å; V1571-L1579 HydrophobicContact CG1-CG 3.91Å; V1571-L1579 HydrophobicContact CG2-CD2 3.65Å; V1571-L1579 HydrophobicContact CG2-CG 3.94Å; V1571-F1580 HydrophobicContact CG1-CB 3.92Å; V1571-F1580 VanDerWaalsContact CG1-N 3.33Å
1572D85.2Confident89Confident48 Ų4834.2 Ų34.226%0.25719%0.185SC..  trans-137.9170.4172.9823000111.9Q1574 S1575 N1576D1572-Q1574 PolarHBondContact O-N 3.4Å; D1572-Q1574 VanDerWaalsContact O-N 3.1Å; D1572-Q1574 PolarHBondContact OD1-N 3.11Å; D1572-S1575 PolarHBondContact N-OG 3.45Å; D1572-S1575 PolarHBondContact O-N 2.92Å; D1572-S1575 PolarHBondContact O-OG 2.99Å; D1572-S1575 VanDerWaalsContact OD1-CB 3.27Å; D1572-S1575 WeakPolarHBondContact OD1-CB 3.43Å; D1572-S1575 PolarHBondContact OD1-N 2.96Å; D1572-S1575 PolarHBondContact OD1-OG 3.29Å; D1572-N1576 CarbonylContact O-C 3.03Å; D1572-N1576 PolarHBondContact O-N 3.46Å; D1572-N1576 VanDerWaalsContact O-N 3.13Å
1573M85.4Confident89Confident56 Ų5634.1 Ų34.128%0.27619%0.185SC..THydrogen-bonded Turntrans-69.2-6.1-173.1-161.9164.150.700114.5N1577 F1580 D1631 S1632 K1635M1573-N1577 WeakPolarHBondContact CG-ND2 3.48Å; M1573-N1577 PolarHBondContact O-ND2 3.22Å; M1573-F1580 HydrophobicContact CB-CD1 3.77Å; M1573-F1580 HydrophobicContact CB-CE1 3.91Å; M1573-F1580 HydrophobicContact CB-CG 4.2Å; M1573-F1580 HydrophobicContact CB-CZ 4.47Å; M1573-F1580 HydrophobicContact CG-CD1 3.86Å; M1573-F1580 HydrophobicContact CG-CE1 3.99Å; M1573-F1580 HydrophobicContact SD-CD1 4.2Å; M1573-F1580 HydrophobicContact SD-CE1 3.75Å; M1573-D1631 HydrophobicContact CE-CB 4.21Å; M1573-D1631 WeakPolarHBondContact CE-O 3.27Å; M1573-S1632 WeakPolarHBondContact CB-OG 3.35Å; M1573-S1632 PolarHBondContact N-OG 3.36Å; M1573-S1632 VanDerWaalsContact N-OG 3.09Å; M1573-K1635 HydrophobicContact CE-CG 4.44Å; M1573-K1635 HydrophobicContact SD-CG 4.41Å
1574Q83.2Confident89Confident169 Ų16934.1 Ų34.179%0.7919%0.185SC*.THydrogen-bonded Turntrans-107.4-32177.4-64-174.23.300112.9D1572D1572-Q1574 PolarHBondContact O-N 3.4Å; D1572-Q1574 VanDerWaalsContact O-N 3.1Å; D1572-Q1574 PolarHBondContact OD1-N 3.11Å
1575S81.8Confident89.1Confident61 Ų6131.6 Ų31.643%0.42717%0.173SC..THydrogen-bonded Turntrans-85.4-42.5-178.354.30000113.1D1572D1572-S1575 PolarHBondContact N-OG 3.45Å; D1572-S1575 PolarHBondContact O-N 2.92Å; D1572-S1575 PolarHBondContact O-OG 2.99Å; D1572-S1575 VanDerWaalsContact OD1-CB 3.27Å; D1572-S1575 WeakPolarHBondContact OD1-CB 3.43Å; D1572-S1575 PolarHBondContact OD1-N 2.96Å; D1572-S1575 PolarHBondContact OD1-OG 3.29Å
1576N86.7Confident89.1Confident30 Ų3031.6 Ų31.616%0.1617%0.173CC..  trans-154.695172.9-169.2-34.2000110.2D1572 E1578 L1579 F1580D1572-N1576 CarbonylContact O-C 3.03Å; D1572-N1576 PolarHBondContact O-N 3.46Å; D1572-N1576 VanDerWaalsContact O-N 3.13Å; N1576-E1578 PolarHBondContact OD1-N 3.38Å; N1576-L1579 HydrophobicContact CB-CB 4.05Å; N1576-L1579 VanDerWaalsContact CG-CB 3.45Å; N1576-L1579 VanDerWaalsContact OD1-CB 3.31Å; N1576-L1579 WeakPolarHBondContact OD1-CB 3.48Å; N1576-L1579 PolarHBondContact OD1-N 3.12Å; N1576-F1580 VanDerWaalsContact O-CB 3.29Å; N1576-F1580 WeakPolarHBondContact O-CB 3.12Å; N1576-F1580 PolarHBondContact O-N 3.14Å
1577N89Confident89.1Confident82 Ų8231.3 Ų31.344%0.43917%0.172SC..Hα-helixtrans-66.3-40-174-160.9-76.5000112.9M1573 F1580 T1581M1573-N1577 WeakPolarHBondContact CG-ND2 3.48Å; M1573-N1577 PolarHBondContact O-ND2 3.22Å; N1577-F1580 WeakPolarHBondContact O-CB 3.26Å; N1577-F1580 PolarHBondContact O-N 3.39Å; N1577-T1581 PolarHBondContact O-N 2.94Å; N1577-T1581 PolarHBondContact O-OG1 3.44Å
1578E87.4Confident89.2Confident98 Ų9830.4 Ų30.446%0.45817%0.167SC..Hα-helixtrans-66.2-42.8179.3-172.3-157.5-17600111.7K1535 N1576 F1580 T1581 T1582K1535-E1578 WeakPolarHBondContact CE-OE1 3.26Å; K1535-E1578 IonicContact NZ-OE1 3.84Å; K1535-E1578 PolarHBondContact NZ-OE1 3.06Å; K1535-E1578 IonicContact NZ-OE2 3.95Å; K1535-E1578 PolarHBondContact NZ-OE2 3.19Å; N1576-E1578 PolarHBondContact OD1-N 3.38Å; E1578-F1580 VanDerWaalsContact C-N 3.34Å; E1578-T1581 PolarHBondContact O-OG1 3.14Å; E1578-T1582 WeakPolarHBondContact O-CB 3.42Å; E1578-T1582 PolarHBondContact O-N 3.34Å; E1578-T1582 PolarHBondContact O-OG1 2.87Å
1579L89.9Confident89.2Confident0 Ų029.4 Ų29.40%016%0.16CC..Hα-helixtrans-70.7-33174.7-165.959.9000111.2H1531 L1534 K1535 L1538 V1571 N1576 T1582 V1583H1531-L1579 HydrophobicContact CB-CD2 4.04Å; L1534-L1579 HydrophobicContact CB-CD2 4.47Å; L1534-L1579 HydrophobicContact CD2-CD2 4.22Å; L1534-L1579 HydrophobicContact CG-CD2 4.39Å; K1535-L1579 HydrophobicContact CB-CD1 3.81Å; K1535-L1579 HydrophobicContact CG-CD1 4.08Å; L1538-L1579 HydrophobicContact CD1-CD1 3.9Å; V1571-L1579 HydrophobicContact CG1-CB 3.84Å; V1571-L1579 HydrophobicContact CG1-CD2 4.26Å; V1571-L1579 HydrophobicContact CG1-CG 3.91Å; V1571-L1579 HydrophobicContact CG2-CD2 3.65Å; V1571-L1579 HydrophobicContact CG2-CG 3.94Å; N1576-L1579 HydrophobicContact CB-CB 4.05Å; N1576-L1579 VanDerWaalsContact CG-CB 3.45Å; N1576-L1579 VanDerWaalsContact OD1-CB 3.31Å; N1576-L1579 WeakPolarHBondContact OD1-CB 3.48Å; N1576-L1579 PolarHBondContact OD1-N 3.12Å; L1579-T1582 PolarHBondContact O-N 3.11Å; L1579-V1583 WeakPolarHBondContact O-CG2 3.04Å; L1579-V1583 PolarHBondContact O-N 3.21Å
1580F94.1Very high89.5Confident2 Ų228.2 Ų28.21%0.00915%0.147CC..Hα-helixtrans-65.5-47174.2174-103.8000112.1I1566 V1571 M1573 N1576 N1577 E1578 T1582 V1583 L1584 K1635I1566-F1580 HydrophobicContact CD1-CD2 4.4Å; I1566-F1580 HydrophobicContact CD1-CE2 4.01Å; I1566-F1580 HydrophobicContact CG1-CD2 4.39Å; I1566-F1580 HydrophobicContact CG1-CE2 4.3Å; I1566-F1580 HydrophobicContact CG2-CE2 3.98Å; V1571-F1580 HydrophobicContact CG1-CB 3.92Å; V1571-F1580 VanDerWaalsContact CG1-N 3.33Å; M1573-F1580 HydrophobicContact CB-CD1 3.77Å; M1573-F1580 HydrophobicContact CB-CE1 3.91Å; M1573-F1580 HydrophobicContact CB-CG 4.2Å; M1573-F1580 HydrophobicContact CB-CZ 4.47Å; M1573-F1580 HydrophobicContact CG-CD1 3.86Å; M1573-F1580 HydrophobicContact CG-CE1 3.99Å; M1573-F1580 HydrophobicContact SD-CD1 4.2Å; M1573-F1580 HydrophobicContact SD-CE1 3.75Å; N1576-F1580 VanDerWaalsContact O-CB 3.29Å; N1576-F1580 WeakPolarHBondContact O-CB 3.12Å; N1576-F1580 PolarHBondContact O-N 3.14Å; N1577-F1580 WeakPolarHBondContact O-CB 3.26Å; N1577-F1580 PolarHBondContact O-N 3.39Å; E1578-F1580 VanDerWaalsContact C-N 3.34Å; F1580-T1582 VanDerWaalsContact C-N 3.34Å; F1580-V1583 PolarHBondContact O-N 3.38Å; F1580-L1584 HydrophobicContact CE1-CD2 4.22Å; F1580-L1584 HydrophobicContact CZ-CD2 4.42Å; F1580-L1584 VanDerWaalsContact O-CB 3.24Å; F1580-L1584 WeakPolarHBondContact O-CB 3.07Å; F1580-L1584 PolarHBondContact O-N 3.25Å; F1580-K1635 HydrophobicContact CE1-CB 4.47Å; F1580-K1635 HydrophobicContact CZ-CB 4.16Å
1581T93.1Very high89.6Confident20 Ų2028.4 Ų28.412%0.12315%0.148CC..Hα-helixtrans-64.6-39.5175.350.60000111.3N1577 E1578 V1583 L1584 D1585N1577-T1581 PolarHBondContact O-N 2.94Å; N1577-T1581 PolarHBondContact O-OG1 3.44Å; E1578-T1581 PolarHBondContact O-OG1 3.14Å; T1581-V1583 PolarHBondContact O-N 3.45Å; T1581-L1584 PolarHBondContact O-N 2.91Å; T1581-D1585 WeakPolarHBondContact O-CB 3.42Å; T1581-D1585 VanDerWaalsContact O-CG 3.24Å; T1581-D1585 PolarHBondContact O-N 2.94Å
1582T92Very high89.3Confident17 Ų1730 Ų3010%0.10416%0.157CC..Hα-helixtrans-55.2-52.4173.5-60.10000111.8W440 E1578 L1579 F1580 L1584 D1585 M1586W440-T1582 HydrophobicContact CB-CG2 4.4Å; W440-T1582 HydrophobicContact CG-CG2 4.19Å; E1578-T1582 WeakPolarHBondContact O-CB 3.42Å; E1578-T1582 PolarHBondContact O-N 3.34Å; E1578-T1582 PolarHBondContact O-OG1 2.87Å; L1579-T1582 PolarHBondContact O-N 3.11Å; F1580-T1582 VanDerWaalsContact C-N 3.34Å; T1582-L1584 PolarHBondContact O-N 3.34Å; T1582-D1585 PolarHBondContact O-N 2.58Å; T1582-M1586 WeakPolarHBondContact O-CG 3.37Å; T1582-M1586 PolarHBondContact O-N 3.37Å
1583V94.7Very high89Confident0 Ų028.9 Ų28.90%016%0.157CC..Hα-helixtrans-65.9-37.9178.5174.40000111.8L1538 L1562 I1565 I1566 L1579 F1580 T1581 L1587L1538-V1583 HydrophobicContact CD1-CG2 3.57Å; L1562-V1583 HydrophobicContact CB-CG1 4.08Å; L1562-V1583 HydrophobicContact CD2-CG1 3.97Å; L1562-V1583 HydrophobicContact CD2-CG2 4.46Å; L1562-V1583 VanDerWaalsContact O-CG1 3.31Å; L1562-V1583 WeakPolarHBondContact O-CG1 3.42Å; I1565-V1583 HydrophobicContact CG2-CG2 4.49Å; I1566-V1583 HydrophobicContact CD1-CG1 3.91Å; I1566-V1583 HydrophobicContact CG1-CG1 3.94Å; L1579-V1583 WeakPolarHBondContact O-CG2 3.04Å; L1579-V1583 PolarHBondContact O-N 3.21Å; F1580-V1583 PolarHBondContact O-N 3.38Å; T1581-V1583 PolarHBondContact O-N 3.45Å; V1583-L1587 WeakPolarHBondContact O-CB 3.47Å; V1583-L1587 PolarHBondContact O-N 3.47Å
1584L93.9Very high88.7Confident3 Ų327.3 Ų27.32%0.01615%0.15CC..Hα-helixtrans-66-39.5177.1-173.871.3000112.2F1580 T1581 T1582 L1587 S1588 K1635 V1636 L1639F1580-L1584 HydrophobicContact CE1-CD2 4.22Å; F1580-L1584 HydrophobicContact CZ-CD2 4.42Å; F1580-L1584 VanDerWaalsContact O-CB 3.24Å; F1580-L1584 WeakPolarHBondContact O-CB 3.07Å; F1580-L1584 PolarHBondContact O-N 3.25Å; T1581-L1584 PolarHBondContact O-N 2.91Å; T1582-L1584 PolarHBondContact O-N 3.34Å; L1584-L1587 PolarHBondContact O-N 3.26Å; L1584-S1588 WeakPolarHBondContact O-CB 3.29Å; L1584-S1588 PolarHBondContact O-N 3.23Å; L1584-K1635 HydrophobicContact CD1-CB 4.44Å; L1584-K1635 HydrophobicContact CD2-CB 4.09Å; L1584-V1636 HydrophobicContact CD1-CG2 4.06Å; L1584-L1639 HydrophobicContact CD1-CD1 3.68Å; L1584-L1639 HydrophobicContact CD1-CG 4.26Å; L1584-L1639 HydrophobicContact CG-CD1 4.3Å
1585D93.1Very high88Confident1 Ų120.4 Ų20.41%0.00512%0.119CC..Hα-helixtrans-77.6-36.1-179.5-67.9-27.4000111.4R432 V436 W440 T1581 T1582 L1587 S1588 V1589R432-D1585 IonicContact CZ-OD1 3.76Å; R432-D1585 IonicContact CZ-OD2 3.76Å; R432-D1585 VanDerWaalsContact CZ-OD2 3.3Å; R432-D1585 IonicContact NE-OD1 3.38Å; R432-D1585 IonicContact NE-OD2 2.72Å; R432-D1585 PolarHBondContact NE-OD2 3.14Å; R432-D1585 VanDerWaalsContact NH2-CG 3.28Å; R432-D1585 IonicContact NH2-OD1 3.53Å; R432-D1585 PolarHBondContact NH2-OD1 2.87Å; R432-D1585 IonicContact NH2-OD2 2.66Å; R432-D1585 PolarHBondContact NH2-OD2 3.25Å; V436-D1585 HydrophobicContact CG2-CB 4.19Å; W440-D1585 HydrophobicContact CZ2-CB 4.19Å; T1581-D1585 WeakPolarHBondContact O-CB 3.42Å; T1581-D1585 VanDerWaalsContact O-CG 3.24Å; T1581-D1585 PolarHBondContact O-N 2.94Å; T1582-D1585 PolarHBondContact O-N 2.58Å; D1585-L1587 PolarHBondContact O-N 2.95Å; D1585-S1588 WeakPolarHBondContact O-CB 3.36Å; D1585-S1588 PolarHBondContact O-N 2.79Å; D1585-V1589 WeakPolarHBondContact O-CG2 3.23Å; D1585-V1589 PolarHBondContact O-N 3.21Å
1586M93.5Very high86.7Confident0 Ų018.1 Ų18.10%010%0.103CC..Hα-helixtrans-56.1-49.6165.9-78-172.6159.800111.6W440 L1538 F1545 L1562 T1582 S1588 V1589 L1590W440-M1586 HydrophobicContact CB-CE 4.07Å; W440-M1586 HydrophobicContact CD2-CE 3.84Å; W440-M1586 HydrophobicContact CD2-CG 3.68Å; W440-M1586 HydrophobicContact CE3-CE 3.49Å; W440-M1586 VanDerWaalsContact CE3-CE 3.49Å; W440-M1586 HydrophobicContact CE3-CG 3.6Å; W440-M1586 HydrophobicContact CE3-SD 4.45Å; W440-M1586 HydrophobicContact CG-CE 4.1Å; W440-M1586 HydrophobicContact CG-CG 4.44Å; W440-M1586 HydrophobicContact CH2-CB 4.28Å; W440-M1586 HydrophobicContact CH2-CG 3.79Å; W440-M1586 HydrophobicContact CZ2-CB 4.33Å; W440-M1586 HydrophobicContact CZ2-CG 3.81Å; W440-M1586 HydrophobicContact CZ3-CE 4.25Å; W440-M1586 HydrophobicContact CZ3-CG 3.68Å; L1538-M1586 HydrophobicContact CB-CE 4.19Å; L1538-M1586 HydrophobicContact CB-SD 4.4Å; L1538-M1586 HydrophobicContact CD2-SD 4.03Å; L1538-M1586 VanDerWaalsContact O-CE 3.32Å; L1538-M1586 WeakPolarHBondContact O-CE 3.36Å; F1545-M1586 HydrophobicContact CD2-CE 4.27Å; F1545-M1586 HydrophobicContact CE2-CB 4.03Å; F1545-M1586 HydrophobicContact CE2-CE 4.11Å; F1545-M1586 HydrophobicContact CE2-CG 3.79Å; F1545-M1586 HydrophobicContact CE2-SD 4.06Å; F1545-M1586 HydrophobicContact CZ-CB 4.04Å; F1545-M1586 HydrophobicContact CZ-CG 4.19Å; L1562-M1586 HydrophobicContact CD1-CB 3.82Å; L1562-M1586 HydrophobicContact CD2-CB 4.29Å; L1562-M1586 HydrophobicContact CD2-SD 3.97Å; T1582-M1586 WeakPolarHBondContact O-CG 3.37Å; T1582-M1586 PolarHBondContact O-N 3.37Å; M1586-S1588 VanDerWaalsContact C-N 3.31Å; M1586-S1588 PolarHBondContact O-N 3.23Å; M1586-V1589 PolarHBondContact O-N 3.24Å; M1586-L1590 PolarHBondContact O-N 3.49Å
1587L93.3Very high85Confident2 Ų218.8 Ų18.81%0.0111%0.113CC..Hα-helixtrans-62.1-39.9177.2-176.861000111.4A1559 V1583 L1584 D1585 L1590 I1591 L1621 V1636 L1639A1559-L1587 HydrophobicContact CB-CD1 3.89Å; V1583-L1587 WeakPolarHBondContact O-CB 3.47Å; V1583-L1587 PolarHBondContact O-N 3.47Å; L1584-L1587 PolarHBondContact O-N 3.26Å; D1585-L1587 PolarHBondContact O-N 2.95Å; L1587-L1590 PolarHBondContact O-N 2.99Å; L1587-I1591 HydrophobicContact CD1-CD1 4.09Å; L1587-I1591 HydrophobicContact CD1-CG1 4.43Å; L1587-I1591 HydrophobicContact CG-CD1 3.91Å; L1587-I1591 WeakPolarHBondContact O-CB 3.44Å; L1587-I1591 VanDerWaalsContact O-CG1 3.22Å; L1587-I1591 WeakPolarHBondContact O-CG1 3.07Å; L1587-I1591 PolarHBondContact O-N 2.83Å; L1587-L1621 HydrophobicContact CD1-CD1 4.34Å; L1587-V1636 HydrophobicContact CD2-CG1 4.18Å; L1587-L1639 HydrophobicContact CB-CD1 4.41Å; L1587-L1639 HydrophobicContact CD2-CD1 4.27Å; L1587-L1639 HydrophobicContact CG-CD1 4.18Å
1588S90.9Very high82.6Confident1 Ų116.9 Ų16.91%0.00710%0.103CC..Hα-helixtrans-59.9-44.9174-177.80000112.1H381 L1584 D1585 M1586 I1591 N1592H381-S1588 PolarHBondContact CE1-OG 3.12Å; H381-S1588 PolarHBondContact NE2-OG 3.18Å; L1584-S1588 WeakPolarHBondContact O-CB 3.29Å; L1584-S1588 PolarHBondContact O-N 3.23Å; D1585-S1588 WeakPolarHBondContact O-CB 3.36Å; D1585-S1588 PolarHBondContact O-N 2.79Å; M1586-S1588 VanDerWaalsContact C-N 3.31Å; M1586-S1588 PolarHBondContact O-N 3.23Å; S1588-I1591 PolarHBondContact O-N 3.37Å; S1588-N1592 WeakPolarHBondContact O-CB 3.2Å; S1588-N1592 PolarHBondContact O-N 3.44Å; S1588-N1592 PolarHBondContact O-ND2 3.1Å; S1588-N1592 PolarHBondContact OG-ND2 2.88Å
1589V88.7Confident80.1Confident1 Ų119 Ų191%0.00612%0.115CC..Hα-helixtrans-69.8-35.8-1801730000112H381 Y382 V436 W440 F1545 D1585 M1586 G1593H381-V1589 HydrophobicContact CB-CG2 4.45Å; H381-V1589 WeakPolarHBondContact CD2-CG2 2.98Å; Y382-V1589 HydrophobicContact CD1-CG1 4.49Å; Y382-V1589 HydrophobicContact CE1-CG1 4.18Å; V436-V1589 HydrophobicContact CG1-CG2 3.77Å; W440-V1589 HydrophobicContact CH2-CB 3.93Å; W440-V1589 HydrophobicContact CH2-CG1 4.3Å; W440-V1589 HydrophobicContact CH2-CG2 3.82Å; W440-V1589 HydrophobicContact CZ2-CG2 4.09Å; F1545-V1589 HydrophobicContact CE1-CB 4.29Å; F1545-V1589 HydrophobicContact CE1-CG1 3.86Å; D1585-V1589 WeakPolarHBondContact O-CG2 3.23Å; D1585-V1589 PolarHBondContact O-N 3.21Å; M1586-V1589 PolarHBondContact O-N 3.24Å; V1589-G1593 PolarHBondContact O-N 3.29Å
1590L90.1Very high77.1Confident1 Ų124.1 Ų24.11%0.00515%0.15CC..Hα-helixtrans-64.6-46171.6-66.5178.6000111.7F1545 V1548 Q1549 T1555 W1558 A1559 L1562 M1586 L1587 G1593 T1594F1545-L1590 HydrophobicContact CD1-CD2 4.46Å; F1545-L1590 HydrophobicContact CE1-CD2 3.59Å; F1545-L1590 HydrophobicContact CE1-CG 3.99Å; F1545-L1590 HydrophobicContact CZ-CD1 4.28Å; F1545-L1590 HydrophobicContact CZ-CD2 3.72Å; F1545-L1590 HydrophobicContact CZ-CG 3.7Å; V1548-L1590 HydrophobicContact CG1-CD2 3.97Å; Q1549-L1590 HydrophobicContact CG-CD2 4.08Å; T1555-L1590 HydrophobicContact CG2-CB 4.42Å; T1555-L1590 HydrophobicContact CG2-CD2 4.32Å; W1558-L1590 HydrophobicContact CB-CD1 4.15Å; A1559-L1590 HydrophobicContact CB-CD1 3.95Å; L1562-L1590 HydrophobicContact CD1-CD1 3.82Å; M1586-L1590 PolarHBondContact O-N 3.49Å; L1587-L1590 PolarHBondContact O-N 2.99Å; L1590-G1593 PolarHBondContact O-N 2.98Å; L1590-T1594 PolarHBondContact O-N 3.05Å
1591I87.8Confident74.1Confident4 Ų429.9 Ų29.92%0.02119%0.191CC..Hα-helixtrans-62.2-49.5178.1-69.1169.5000110.7L1587 S1588 G1593 T1594 L1595 Y1614 L1617 L1621 L1639 L1640L1587-I1591 HydrophobicContact CD1-CD1 4.09Å; L1587-I1591 HydrophobicContact CD1-CG1 4.43Å; L1587-I1591 HydrophobicContact CG-CD1 3.91Å; L1587-I1591 WeakPolarHBondContact O-CB 3.44Å; L1587-I1591 VanDerWaalsContact O-CG1 3.22Å; L1587-I1591 WeakPolarHBondContact O-CG1 3.07Å; L1587-I1591 PolarHBondContact O-N 2.83Å; S1588-I1591 PolarHBondContact O-N 3.37Å; I1591-G1593 PolarHBondContact O-N 3.09Å; I1591-T1594 PolarHBondContact O-N 2.9Å; I1591-T1594 PolarHBondContact O-OG1 2.88Å; I1591-L1595 PolarHBondContact O-N 3.1Å; I1591-Y1614 HydrophobicContact CG2-CE2 4Å; I1591-L1617 HydrophobicContact CG1-CD2 4.42Å; I1591-L1621 HydrophobicContact CD1-CD1 3.92Å; I1591-L1621 HydrophobicContact CG1-CD1 4.12Å; I1591-L1639 HydrophobicContact CD1-CB 4Å; I1591-L1639 HydrophobicContact CD1-CD1 4.32Å; I1591-L1640 HydrophobicContact CD1-CD2 4.28Å
1592N81.7Confident71Confident34 Ų3436.1 Ų36.118%0.18222%0.222CC..Hα-helixtrans-68.1-32179.1-76.2-76.2000112.8H381 S1588 T1594 L1595 A1596H381-N1592 PolarHBondContact CE1-ND2 2.83Å; S1588-N1592 WeakPolarHBondContact O-CB 3.2Å; S1588-N1592 PolarHBondContact O-N 3.44Å; S1588-N1592 PolarHBondContact O-ND2 3.1Å; S1588-N1592 PolarHBondContact OG-ND2 2.88Å; N1592-T1594 VanDerWaalsContact C-N 3.33Å; N1592-T1594 PolarHBondContact O-N 2.78Å; N1592-L1595 CarbonylContact O-C 3.38Å; N1592-L1595 WeakPolarHBondContact O-CA 3.28Å; N1592-L1595 WeakPolarHBondContact O-CB 3.46Å; N1592-L1595 PolarHBondContact O-N 3.47Å; N1592-A1596 PolarHBondContact O-N 3.23Å
1593G78.1Confident68.1Low25 Ų2539.5 Ų39.526%0.25825%0.246SC..Hα-helixtrans-56.5-45.3172.900000112.1V1589 L1590 I1591 L1595 A1596V1589-G1593 PolarHBondContact O-N 3.29Å; L1590-G1593 PolarHBondContact O-N 2.98Å; I1591-G1593 PolarHBondContact O-N 3.09Å; G1593-L1595 PolarHBondContact O-N 3.49Å; G1593-A1596 PolarHBondContact O-N 3Å
1594T79.4Confident65.5Low22 Ų2248.4 Ų48.414%0.13529%0.288CS..THydrogen-bonded Turntrans-70.3-11.8175.564.90000114.8T1555 L1590 I1591 N1592 Y1614 L1617T1555-T1594 HydrophobicContact CG2-CG2 3.91Å; L1590-T1594 PolarHBondContact O-N 3.05Å; I1591-T1594 PolarHBondContact O-N 2.9Å; I1591-T1594 PolarHBondContact O-OG1 2.88Å; N1592-T1594 VanDerWaalsContact C-N 3.33Å; N1592-T1594 PolarHBondContact O-N 2.78Å; T1594-Y1614 WeakPolarHBondContact OG1-CD2 3.42Å; T1594-L1617 HydrophobicContact CG2-CD2 4.11Å
1595L68.3Low63.2Low25 Ų2550.9 Ų50.913%0.13131%0.314CS..THydrogen-bonded Turntrans-97.9-15.2175.7-77.5168.3000114Y293 I1591 N1592 G1593 A1597 Y1614Y293-L1595 HydrophobicContact CD2-CD1 3.76Å; Y293-L1595 HydrophobicContact CE2-CD1 4.11Å; Y293-L1595 HydrophobicContact CG-CD1 4.43Å; I1591-L1595 PolarHBondContact O-N 3.1Å; N1592-L1595 CarbonylContact O-C 3.38Å; N1592-L1595 WeakPolarHBondContact O-CA 3.28Å; N1592-L1595 WeakPolarHBondContact O-CB 3.46Å; N1592-L1595 PolarHBondContact O-N 3.47Å; G1593-L1595 PolarHBondContact O-N 3.49Å; L1595-A1597 PolarHBondContact O-N 3.19Å; L1595-Y1614 HydrophobicContact CD1-CD2 4.2Å; L1595-Y1614 HydrophobicContact CD1-CE2 3.62Å; L1595-Y1614 HydrophobicContact CD2-CD1 3.72Å; L1595-Y1614 HydrophobicContact CD2-CD2 3.87Å; L1595-Y1614 HydrophobicContact CD2-CE1 3.68Å; L1595-Y1614 HydrophobicContact CD2-CE2 3.81Å; L1595-Y1614 HydrophobicContact CD2-CG 3.81Å; L1595-Y1614 HydrophobicContact CG-CD1 4.45Å; L1595-Y1614 HydrophobicContact CG-CD2 3.67Å; L1595-Y1614 HydrophobicContact CG-CE1 4.41Å; L1595-Y1614 HydrophobicContact CG-CE2 3.61Å; L1595-Y1614 HydrophobicContact CG-CG 4.1Å
1596A55.7Low61Low12 Ų1254.2 Ų54.210%0.09934%0.337CS..THydrogen-bonded Turntrans-63.6-28.3-169.400000113.6S383 K390 N1592 G1593 D1598S383-A1596 VanDerWaalsContact OG-CB 3.24Å; S383-A1596 WeakPolarHBondContact OG-CB 3.44Å; K390-A1596 PolarHBondContact NZ-O 3.08Å; N1592-A1596 PolarHBondContact O-N 3.23Å; G1593-A1596 PolarHBondContact O-N 3Å; A1596-D1598 PolarHBondContact O-N 3.42Å
1597A49.9Very low58.9Low45 Ų4557.9 Ų57.937%0.37236%0.355SS..THydrogen-bonded Turntrans-62.4-9.8-176.100000116.4L1595 N1610L1595-A1597 PolarHBondContact O-N 3.19Å; A1597-N1610 HydrophobicContact CB-CB 3.87Å
1598D39.7Very low57.3Low41 Ų4164.4 Ų64.422%0.21939%0.386CS..  trans-78128.9179.6-98.4-11.7000113.2K390 A1596 M1607K390-D1598 PolarHBondContact NZ-O 2.95Å; A1596-D1598 PolarHBondContact O-N 3.42Å; D1598-M1607 WeakPolarHBondContact OD1-CE 3.45Å
1599M33.3Very low56Low144 Ų14471 Ų7171%0.70942%0.417SS*.SBendtrans70.582.7169.5-47.4-61.6174.900115.8M1607M1599-M1607 HydrophobicContact CE-CE 4.16Å; M1599-M1607 HydrophobicContact SD-CE 4.33Å
1600S28.7Very low55Low106 Ų10673.7 Ų73.774%0.74143%0.431SS*.SBend-176160.478.640.10000114.9I1602S1600-I1602 PolarHBondContact O-N 3.09Å; S1600-I1602 VanDerWaalsContact O-N 3.1Å
1601S29.1Very low54Low123 Ų12379.5 Ų79.586%0.8646%0.456SS*.SBendtrans61.8-8.1156.669.40000124
1602I28.8Very low53.7Low151 Ų15187.2 Ų87.277%0.77449%0.485SS*.SBendtrans-126.9124.3176.6-54.7-178.3000113.7S1600S1600-I1602 PolarHBondContact O-N 3.09Å; S1600-I1602 VanDerWaalsContact O-N 3.1Å
1603S31.8Very low53.7Low88 Ų8886.5 Ų86.562%0.61548%0.484SS*.  trans48.5113.2167.8-167.90000118.5G1605 S1606S1603-G1605 PolarHBondContact O-N 3.3Å; S1603-S1606 PolarHBondContact O-N 2.59Å
1604Q40.2Very low54Low187 Ų18786.1 Ų86.187%0.87448%0.475SS*.Hα-helixtrans-58.8-18.1174.8-71.5-176.4-41.800114.7
1605G45.8Very low54.2Low56 Ų5688.5 Ų88.558%0.57749%0.485SS*.Hα-helixtrans-72.2-36.1-176.400000115.2S1603S1603-G1605 PolarHBondContact O-N 3.3Å
1606S46.1Very low55.2Low70 Ų7091.4 Ų91.449%0.4950%0.501SS..Hα-helixtrans-78.8-29.1-171.6-174.30000113.4S1603 E1608 E1609 N1610S1603-S1606 PolarHBondContact O-N 2.59Å; S1606-E1608 VanDerWaalsContact C-N 3.35Å; S1606-E1608 PolarHBondContact O-N 3.07Å; S1606-E1609 PolarHBondContact O-N 3.16Å; S1606-N1610 PolarHBondContact O-N 3.24Å; S1606-N1610 PolarHBondContact O-ND2 2.85Å
1607M48.9Very low56.8Low77 Ų7790.9 Ų90.938%0.37950%0.496SS..Hα-helixtrans-63.6-38.4-176.6-165-178.4-166.900112.5D1598 M1599 E1609 K1611D1598-M1607 WeakPolarHBondContact OD1-CE 3.45Å; M1599-M1607 HydrophobicContact CE-CE 4.16Å; M1599-M1607 HydrophobicContact SD-CE 4.33Å; M1607-E1609 PolarHBondContact O-N 3.29Å; M1607-K1611 VanDerWaalsContact O-CB 3.25Å; M1607-K1611 WeakPolarHBondContact O-CB 3.47Å; M1607-K1611 PolarHBondContact O-N 3Å
1608E59.5Low58.7Low140 Ų14089 Ų8965%0.65448%0.48SS*.Hα-helixtrans-68.5-34.4-177.5-151.788.1-115.100112.3S1606 R1612S1606-E1608 VanDerWaalsContact C-N 3.35Å; S1606-E1608 PolarHBondContact O-N 3.07Å; E1608-R1612 WeakPolarHBondContact O-CB 3.45Å; E1608-R1612 PolarHBondContact O-N 3.36Å
1609E64.4Low61Low140 Ų14092.9 Ų92.965%0.65450%0.495SS*.Hα-helixtrans-79.1-44.7-174.7-170.4147.3-120.700112.1S1606 M1607 K1611 R1612 A1613S1606-E1609 PolarHBondContact O-N 3.16Å; M1607-E1609 PolarHBondContact O-N 3.29Å; E1609-K1611 VanDerWaalsContact C-N 3.34Å; E1609-K1611 PolarHBondContact O-N 2.88Å; E1609-R1612 CarbonylContact O-C 3.59Å; E1609-R1612 WeakPolarHBondContact O-CA 3.49Å; E1609-R1612 WeakPolarHBondContact O-CB 3.36Å; E1609-R1612 PolarHBondContact O-N 3.08Å; E1609-R1612 VanDerWaalsContact O-N 3.13Å; E1609-A1613 PolarHBondContact O-N 3.3Å
1610N66.9Low63.8Low57 Ų5789.9 Ų89.931%0.30548%0.478SS..Hα-helixtrans-63.2-40.5173.1-72.5-48.6000111.9A1597 S1606 R1612 A1613 Y1614A1597-N1610 HydrophobicContact CB-CB 3.87Å; S1606-N1610 PolarHBondContact O-N 3.24Å; S1606-N1610 PolarHBondContact O-ND2 2.85Å; N1610-R1612 VanDerWaalsContact C-N 3.3Å; N1610-R1612 PolarHBondContact O-N 2.9Å; N1610-A1613 WeakPolarHBondContact O-CB 3.48Å; N1610-A1613 PolarHBondContact O-N 2.97Å; N1610-A1613 VanDerWaalsContact O-N 3.13Å; N1610-Y1614 PolarHBondContact O-N 2.98Å
1611K70.8Confident66.8Low122 Ų12285 Ų8553%0.5344%0.444SS..Hα-helixtrans-61.9-36.6173-171.9168.9-173.7166.10112.3M1607 E1609 M1615M1607-K1611 VanDerWaalsContact O-CB 3.25Å; M1607-K1611 WeakPolarHBondContact O-CB 3.47Å; M1607-K1611 PolarHBondContact O-N 3Å; E1609-K1611 VanDerWaalsContact C-N 3.34Å; E1609-K1611 PolarHBondContact O-N 2.88Å; K1611-M1615 VanDerWaalsContact O-CB 3.3Å; K1611-M1615 WeakPolarHBondContact O-CB 3.47Å; K1611-M1615 WeakPolarHBondContact O-CG 3.42Å; K1611-M1615 PolarHBondContact O-N 3.31Å
1612R80.3Confident69.6Low167 Ų16782.8 Ų82.863%0.6342%0.42SS*.Hα-helixtrans-68.2-38.9172.3179.7-178.5-75.9-178.4-3111.8E1608 E1609 N1610 M1615 N1616E1608-R1612 WeakPolarHBondContact O-CB 3.45Å; E1608-R1612 PolarHBondContact O-N 3.36Å; E1609-R1612 CarbonylContact O-C 3.59Å; E1609-R1612 WeakPolarHBondContact O-CA 3.49Å; E1609-R1612 WeakPolarHBondContact O-CB 3.36Å; E1609-R1612 PolarHBondContact O-N 3.08Å; E1609-R1612 VanDerWaalsContact O-N 3.13Å; N1610-R1612 VanDerWaalsContact C-N 3.3Å; N1610-R1612 PolarHBondContact O-N 2.9Å; R1612-M1615 PolarHBondContact O-N 3.04Å; R1612-N1616 WeakPolarHBondContact O-CB 3.47Å; R1612-N1616 PolarHBondContact O-N 3.38Å; R1612-N1616 PolarHBondContact O-ND2 3.04Å
1613A81.2Confident72.5Confident19 Ų1983 Ų8316%0.15742%0.415CS..Hα-helixtrans-61.8-53.2175.500000111.7T1552 E1609 N1610 M1615 N1616 L1617T1552-A1613 HydrophobicContact CG2-CB 3.74Å; E1609-A1613 PolarHBondContact O-N 3.3Å; N1610-A1613 WeakPolarHBondContact O-CB 3.48Å; N1610-A1613 PolarHBondContact O-N 2.97Å; N1610-A1613 VanDerWaalsContact O-N 3.13Å; A1613-M1615 VanDerWaalsContact C-N 3.34Å; A1613-M1615 PolarHBondContact O-N 3.08Å; A1613-N1616 PolarHBondContact O-N 2.92Å; A1613-L1617 PolarHBondContact O-N 3.12Å
1614Y85.2Confident75Confident17 Ų1781.1 Ų81.17%0.06740%0.398CS..Hα-helixtrans-54.3-47.4173.9172-110000112.1I1591 T1594 L1595 N1610 N1616 L1617 V1618 P1641I1591-Y1614 HydrophobicContact CG2-CE2 4Å; T1594-Y1614 WeakPolarHBondContact OG1-CD2 3.42Å; L1595-Y1614 HydrophobicContact CD1-CD2 4.2Å; L1595-Y1614 HydrophobicContact CD1-CE2 3.62Å; L1595-Y1614 HydrophobicContact CD2-CD1 3.72Å; L1595-Y1614 HydrophobicContact CD2-CD2 3.87Å; L1595-Y1614 HydrophobicContact CD2-CE1 3.68Å; L1595-Y1614 HydrophobicContact CD2-CE2 3.81Å; L1595-Y1614 HydrophobicContact CD2-CG 3.81Å; L1595-Y1614 HydrophobicContact CG-CD1 4.45Å; L1595-Y1614 HydrophobicContact CG-CD2 3.67Å; L1595-Y1614 HydrophobicContact CG-CE1 4.41Å; L1595-Y1614 HydrophobicContact CG-CE2 3.61Å; L1595-Y1614 HydrophobicContact CG-CG 4.1Å; N1610-Y1614 PolarHBondContact O-N 2.98Å; Y1614-N1616 PolarHBondContact O-N 3.41Å; Y1614-L1617 PolarHBondContact O-N 3.14Å; Y1614-V1618 HydrophobicContact CD2-CG2 3.95Å; Y1614-V1618 HydrophobicContact CE1-CG2 4.11Å; Y1614-V1618 HydrophobicContact CE2-CG2 3.49Å; Y1614-V1618 VanDerWaalsContact CE2-CG2 3.49Å; Y1614-V1618 HydrophobicContact CG-CG2 4.46Å; Y1614-V1618 WeakPolarHBondContact O-CG2 3.36Å; Y1614-V1618 PolarHBondContact O-N 3.37Å; Y1614-P1641 WeakPolarHBondContact OH-CG 3.3Å
1615M84.3Confident77.3Confident72 Ų7272.3 Ų72.336%0.35536%0.357SS..Hα-helixtrans-64.4-23.2177.2-77.1-73.5106.500114.2K1611 R1612 A1613 K1619K1611-M1615 VanDerWaalsContact O-CB 3.3Å; K1611-M1615 WeakPolarHBondContact O-CB 3.47Å; K1611-M1615 WeakPolarHBondContact O-CG 3.42Å; K1611-M1615 PolarHBondContact O-N 3.31Å; R1612-M1615 PolarHBondContact O-N 3.04Å; A1613-M1615 VanDerWaalsContact C-N 3.34Å; A1613-M1615 PolarHBondContact O-N 3.08Å; M1615-K1619 WeakPolarHBondContact O-CD 3.37Å; M1615-K1619 VanDerWaalsContact O-CE 3.27Å; M1615-K1619 WeakPolarHBondContact O-CE 3.5Å; M1615-K1619 WeakPolarHBondContact O-CG 3.29Å
1616N87.6Confident79Confident85 Ų8571.8 Ų71.846%0.45535%0.352SS..Hα-helixtrans-84.6-39.7174.4-72.3-17.5000111.4R1612 A1613 Y1614 K1619 K1620R1612-N1616 WeakPolarHBondContact O-CB 3.47Å; R1612-N1616 PolarHBondContact O-N 3.38Å; R1612-N1616 PolarHBondContact O-ND2 3.04Å; A1613-N1616 PolarHBondContact O-N 2.92Å; Y1614-N1616 PolarHBondContact O-N 3.41Å; N1616-K1619 PolarHBondContact O-N 3.09Å; N1616-K1620 PolarHBondContact O-N 2.87Å; N1616-K1620 VanDerWaalsContact O-N 3.13Å
1617L90.7Very high80.2Confident1 Ų174.8 Ų74.81%0.00536%0.358CS..Hα-helixtrans-59.1-53.8173.4175.658.8000111T1556 A1559 I1591 T1594 A1613 Y1614 K1619 K1620 L1621T1556-L1617 HydrophobicContact CG2-CD1 4.19Å; A1559-L1617 HydrophobicContact CB-CD1 3.76Å; I1591-L1617 HydrophobicContact CG1-CD2 4.42Å; T1594-L1617 HydrophobicContact CG2-CD2 4.11Å; A1613-L1617 PolarHBondContact O-N 3.12Å; Y1614-L1617 PolarHBondContact O-N 3.14Å; L1617-K1619 VanDerWaalsContact C-N 3.27Å; L1617-K1619 PolarHBondContact O-N 3.27Å; L1617-K1620 WeakPolarHBondContact O-CB 3.47Å; L1617-K1620 PolarHBondContact O-N 3.34Å; L1617-L1621 HydrophobicContact CD1-CD1 3.93Å; L1617-L1621 HydrophobicContact CD1-CD2 4.37Å; L1617-L1621 HydrophobicContact CD1-CG 4.03Å; L1617-L1621 HydrophobicContact CG-CD1 4Å; L1617-L1621 HydrophobicContact CG-CG 4.46Å; L1617-L1621 WeakPolarHBondContact O-CG 3.28Å; L1617-L1621 PolarHBondContact O-N 2.98Å
1618V88.9Confident81.6Confident5 Ų577.4 Ų77.43%0.0336%0.364CS..Hα-helixtrans-55.5-41.5177.9168.90000111.8Y1614 K1620 L1621 Q1622 L1640 P1641Y1614-V1618 HydrophobicContact CD2-CG2 3.95Å; Y1614-V1618 HydrophobicContact CE1-CG2 4.11Å; Y1614-V1618 HydrophobicContact CE2-CG2 3.49Å; Y1614-V1618 VanDerWaalsContact CE2-CG2 3.49Å; Y1614-V1618 HydrophobicContact CG-CG2 4.46Å; Y1614-V1618 WeakPolarHBondContact O-CG2 3.36Å; Y1614-V1618 PolarHBondContact O-N 3.37Å; V1618-K1620 PolarHBondContact O-N 3.39Å; V1618-L1621 PolarHBondContact O-N 3.37Å; V1618-Q1622 HydrophobicContact CG1-CG 4.14Å; V1618-Q1622 VanDerWaalsContact O-CB 3.3Å; V1618-Q1622 WeakPolarHBondContact O-CB 3.39Å; V1618-Q1622 VanDerWaalsContact O-CG 3.27Å; V1618-Q1622 WeakPolarHBondContact O-CG 3.48Å; V1618-Q1622 PolarHBondContact O-N 3.06Å; V1618-L1640 HydrophobicContact CG2-CD2 4.32Å; V1618-P1641 HydrophobicContact CG1-CG 4.07Å; V1618-P1641 HydrophobicContact CG2-CG 4.43Å
1619K88.6Confident82.4Confident123 Ų12379.2 Ų79.254%0.53537%0.372SS..Hα-helixtrans-66.3-33.1177.9-74.8169.2-163.1158.80113.4M1615 N1616 L1617 K1623M1615-K1619 WeakPolarHBondContact O-CD 3.37Å; M1615-K1619 VanDerWaalsContact O-CE 3.27Å; M1615-K1619 WeakPolarHBondContact O-CE 3.5Å; M1615-K1619 WeakPolarHBondContact O-CG 3.29Å; N1616-K1619 PolarHBondContact O-N 3.09Å; L1617-K1619 VanDerWaalsContact C-N 3.27Å; L1617-K1619 PolarHBondContact O-N 3.27Å; K1619-K1623 VanDerWaalsContact O-CB 3.25Å; K1619-K1623 WeakPolarHBondContact O-CB 3.43Å; K1619-K1623 PolarHBondContact O-N 3.14Å
1620K91.5Very high83.4Confident81 Ų8174.9 Ų74.935%0.35236%0.358SS..Hα-helixtrans-67.1-55.3171.6-80.4175.4150.9-152.70110.3T1556 Q1560 N1616 L1617 V1618 Q1622 K1623 D1624T1556-K1620 HydrophobicContact CG2-CD 3.3Å; Q1560-K1620 HydrophobicContact CG-CB 4.39Å; N1616-K1620 PolarHBondContact O-N 2.87Å; N1616-K1620 VanDerWaalsContact O-N 3.13Å; L1617-K1620 WeakPolarHBondContact O-CB 3.47Å; L1617-K1620 PolarHBondContact O-N 3.34Å; V1618-K1620 PolarHBondContact O-N 3.39Å; K1620-Q1622 VanDerWaalsContact C-N 3.33Å; K1620-Q1622 PolarHBondContact O-N 3.43Å; K1620-K1623 WeakPolarHBondContact O-CB 3.47Å; K1620-K1623 PolarHBondContact O-N 3.3Å; K1620-D1624 VanDerWaalsContact O-CG 3.3Å; K1620-D1624 PolarHBondContact O-N 3.16Å
1621L92.1Very high84.1Confident3 Ų375 Ų752%0.01636%0.358CS..Hα-helixtrans-58-43-178.4-58.5175.8000112.2A1559 Q1560 L1563 L1587 I1591 L1617 V1618 K1623 D1624 L1625 L1640A1559-L1621 HydrophobicContact CB-CD2 4.3Å; A1559-L1621 WeakPolarHBondContact O-CD2 3.18Å; Q1560-L1621 HydrophobicContact CG-CD2 4.37Å; L1563-L1621 HydrophobicContact CB-CD2 4.13Å; L1563-L1621 HydrophobicContact CD2-CB 3.97Å; L1563-L1621 HydrophobicContact CD2-CD2 3.58Å; L1563-L1621 HydrophobicContact CD2-CG 4.37Å; L1563-L1621 HydrophobicContact CG-CD2 4.46Å; L1587-L1621 HydrophobicContact CD1-CD1 4.34Å; I1591-L1621 HydrophobicContact CD1-CD1 3.92Å; I1591-L1621 HydrophobicContact CG1-CD1 4.12Å; L1617-L1621 HydrophobicContact CD1-CD1 3.93Å; L1617-L1621 HydrophobicContact CD1-CD2 4.37Å; L1617-L1621 HydrophobicContact CD1-CG 4.03Å; L1617-L1621 HydrophobicContact CG-CD1 4Å; L1617-L1621 HydrophobicContact CG-CG 4.46Å; L1617-L1621 WeakPolarHBondContact O-CG 3.28Å; L1617-L1621 PolarHBondContact O-N 2.98Å; V1618-L1621 PolarHBondContact O-N 3.37Å; L1621-K1623 PolarHBondContact O-N 3.13Å; L1621-D1624 PolarHBondContact O-N 3.48Å; L1621-L1625 WeakPolarHBondContact O-CB 3.37Å; L1621-L1625 WeakPolarHBondContact O-CD1 3.04Å; L1621-L1625 WeakPolarHBondContact O-CG 3.31Å; L1621-L1625 PolarHBondContact O-N 2.97Å; L1621-L1640 HydrophobicContact CB-CD2 4.35Å; L1621-L1640 HydrophobicContact CD1-CD2 4.14Å
1622Q88.7Confident84.9Confident78 Ų7869.6 Ų69.636%0.36434%0.336SS..Hα-helixtrans-64.9-35.8175.1-74.1179.6-16.900113.4V1618 K1620 G1626 L1640V1618-Q1622 HydrophobicContact CG1-CG 4.14Å; V1618-Q1622 VanDerWaalsContact O-CB 3.3Å; V1618-Q1622 WeakPolarHBondContact O-CB 3.39Å; V1618-Q1622 VanDerWaalsContact O-CG 3.27Å; V1618-Q1622 WeakPolarHBondContact O-CG 3.48Å; V1618-Q1622 PolarHBondContact O-N 3.06Å; K1620-Q1622 VanDerWaalsContact C-N 3.33Å; K1620-Q1622 PolarHBondContact O-N 3.43Å; Q1622-G1626 PolarHBondContact O-N 2.7Å; Q1622-L1640 HydrophobicContact CG-CD1 4.03Å
1623K88.1Confident85.3Confident155 Ų15562.1 Ų62.167%0.67431%0.308SS*.Hα-helixtrans-66.7-41.4176.3175.4-166158-100.60111.1K1619 K1620 L1621 G1626K1619-K1623 VanDerWaalsContact O-CB 3.25Å; K1619-K1623 WeakPolarHBondContact O-CB 3.43Å; K1619-K1623 PolarHBondContact O-N 3.14Å; K1620-K1623 WeakPolarHBondContact O-CB 3.47Å; K1620-K1623 PolarHBondContact O-N 3.3Å; L1621-K1623 PolarHBondContact O-N 3.13Å; K1623-G1626 PolarHBondContact O-N 3.3Å
1624D86Confident85.7Confident49 Ų4967.3 Ų67.326%0.26233%0.329SS..Hα-helixtrans-80.4-28.6-173.1-57.1-27.2000111.7Q1560 L1563 I1567 K1620 L1621Q1560-D1624 PolarHBondContact NE2-OD2 3.06Å; L1563-D1624 HydrophobicContact CD2-CB 4.29Å; I1567-D1624 WeakPolarHBondContact CD1-O 3.36Å; K1620-D1624 VanDerWaalsContact O-CG 3.3Å; K1620-D1624 PolarHBondContact O-N 3.16Å; L1621-D1624 PolarHBondContact O-N 3.48Å
1625L87.8Confident85.9Confident1 Ų169.1 Ų69.11%0.00534%0.338CS..Hα-helixtrans-60.7-45165.7-80.9162.2000113.3L1563 I1567 L1621 R1628 L1633 V1636 L1640L1563-L1625 HydrophobicContact CD1-CD2 4.06Å; L1563-L1625 HydrophobicContact CD1-CG 4.15Å; L1563-L1625 HydrophobicContact CD2-CG 4.33Å; I1567-L1625 HydrophobicContact CD1-CD2 4.02Å; I1567-L1625 HydrophobicContact CD1-CG 4.19Å; I1567-L1625 HydrophobicContact CG1-CD2 4.37Å; L1621-L1625 WeakPolarHBondContact O-CB 3.37Å; L1621-L1625 WeakPolarHBondContact O-CD1 3.04Å; L1621-L1625 WeakPolarHBondContact O-CG 3.31Å; L1621-L1625 PolarHBondContact O-N 2.97Å; L1625-R1628 WeakPolarHBondContact O-CG 3.29Å; L1625-R1628 PolarHBondContact O-N 3.47Å; L1625-L1633 HydrophobicContact CD2-CD2 3.84Å; L1625-V1636 HydrophobicContact CD1-CG1 4.22Å; L1625-V1636 HydrophobicContact CD2-CG1 4.22Å; L1625-L1640 HydrophobicContact CD1-CD1 3.51Å
1626G81.1Confident86.3Confident46 Ų4665.9 Ų65.947%0.47432%0.322SS..THydrogen-bonded Turntrans64.4-129.7-179.600000113.5Q1622 K1623Q1622-G1626 PolarHBondContact O-N 2.7Å; K1623-G1626 PolarHBondContact O-N 3.3Å
1627E71.7Confident86.4Confident133 Ų13365.5 Ų65.562%0.62132%0.317SS*.THydrogen-bonded Turntrans-109.719.9175.9-54-156.5178.700113K1685E1627-K1685 IonicContact OE1-NZ 3.15Å; E1627-K1685 PolarHBondContact OE1-NZ 2.92Å; E1627-K1685 IonicContact OE2-NZ 3.52Å; E1627-K1685 PolarHBondContact OE2-NZ 2.96Å
1628R78.1Confident86.5Confident131 Ų13166.2 Ų66.249%0.49432%0.32SS..  trans-70.5140.4178.5-59.6-178.6-170.5-141.91.2110.3I1567 L1625 L1633I1567-R1628 PolarHBondContact O-NH1 3.25Å; I1567-R1628 VanDerWaalsContact O-NH1 3.1Å; L1625-R1628 WeakPolarHBondContact O-CG 3.29Å; L1625-R1628 PolarHBondContact O-N 3.47Å; R1628-L1633 HydrophobicContact CB-CD1 3.57Å
1629Q76.3Confident86.6Confident178 Ų17866.4 Ų66.483%0.83232%0.321SS*.  trans-132.1133175.8-66.9-171.5-33.800110.6
1630S85Confident86.7Confident50 Ų5060.8 Ų60.835%0.3530%0.297SS..  trans-162159.116873.80000109.4S1632 L1633 E1634S1630-S1632 PolarHBondContact O-N 2.73Å; S1630-L1633 PolarHBondContact O-N 3.38Å; S1630-L1633 WeakPolarHBondContact OG-CG 3.46Å; S1630-L1633 PolarHBondContact OG-N 3.11Å; S1630-E1634 PolarHBondContact O-N 3.19Å
1631D82.1Confident86.5Confident59 Ų5958 Ų5832%0.31629%0.287SS..Hα-helixtrans-52.5-27.4177.6-57.936.8000113M1573 R1737M1573-D1631 HydrophobicContact CE-CB 4.21Å; M1573-D1631 WeakPolarHBondContact CE-O 3.27Å; D1631-R1737 IonicContact OD1-NH2 2.67Å; D1631-R1737 PolarHBondContact OD1-NH2 2.85Å; D1631-R1737 IonicContact OD2-CZ 2.66Å; D1631-R1737 IonicContact OD2-NH1 2.61Å; D1631-R1737 PolarHBondContact OD2-NH1 3.21Å; D1631-R1737 IonicContact OD2-NH2 3.62Å; D1631-R1737 PolarHBondContact OD2-NH2 3.21Å; D1631-R1737 VanDerWaalsContact OD2-NH2 3.16Å
1632S87.2Confident86.2Confident8 Ų858.7 Ų58.76%0.05629%0.291CS..Hα-helixtrans-81.4-40.5174.4-60.80000112.7M1573 S1630 E1634 K1635 V1636M1573-S1632 WeakPolarHBondContact CB-OG 3.35Å; M1573-S1632 PolarHBondContact N-OG 3.36Å; M1573-S1632 VanDerWaalsContact N-OG 3.09Å; S1630-S1632 PolarHBondContact O-N 2.73Å; S1632-E1634 VanDerWaalsContact C-N 3.31Å; S1632-E1634 PolarHBondContact O-N 3.14Å; S1632-K1635 PolarHBondContact O-N 2.91Å; S1632-V1636 PolarHBondContact O-N 2.98Å
1633L89.9Confident85.9Confident11 Ų1159.7 Ų59.76%0.05830%0.304CS..Hα-helixtrans-70.2-26.2177.8-65.9177.2000112.5I1566 I1567 L1625 R1628 S1630 K1635 V1636 H1637I1566-L1633 HydrophobicContact CG2-CD2 3.92Å; I1567-L1633 HydrophobicContact CG1-CD2 3.93Å; L1625-L1633 HydrophobicContact CD2-CD2 3.84Å; R1628-L1633 HydrophobicContact CB-CD1 3.57Å; S1630-L1633 PolarHBondContact O-N 3.38Å; S1630-L1633 WeakPolarHBondContact OG-CG 3.46Å; S1630-L1633 PolarHBondContact OG-N 3.11Å; L1633-K1635 VanDerWaalsContact C-N 3.28Å; L1633-K1635 PolarHBondContact O-N 3.31Å; L1633-V1636 PolarHBondContact O-N 3.44Å; L1633-V1636 VanDerWaalsContact O-N 3.15Å; L1633-H1637 PolarHBondContact O-CD2 3.2Å; L1633-H1637 PolarHBondContact O-N 2.89Å
1634E88.3Confident85.6Confident127 Ų12756.1 Ų56.159%0.59329%0.288SS*.Hα-helixtrans-58.8-39.1170.1-72.2-170.616800112.1S1630 S1632 V1636 H1637 Q1638S1630-E1634 PolarHBondContact O-N 3.19Å; S1632-E1634 VanDerWaalsContact C-N 3.31Å; S1632-E1634 PolarHBondContact O-N 3.14Å; E1634-V1636 VanDerWaalsContact C-N 3.33Å; E1634-V1636 PolarHBondContact O-N 3.45Å; E1634-H1637 PolarHBondContact O-N 3.17Å; E1634-Q1638 PolarHBondContact O-N 3.43Å
1635K90.9Very high85.1Confident56 Ų5657.5 Ų57.524%0.24329%0.293CS..Hα-helixtrans-69.1-30.1175.3-60-55.6-173.9-175.50112.8C373 M1573 F1580 L1584 S1632 L1633 Q1638C373-K1635 PolarHBondContact O-NZ 3.05Å; M1573-K1635 HydrophobicContact CE-CG 4.44Å; M1573-K1635 HydrophobicContact SD-CG 4.41Å; F1580-K1635 HydrophobicContact CE1-CB 4.47Å; F1580-K1635 HydrophobicContact CZ-CB 4.16Å; L1584-K1635 HydrophobicContact CD1-CB 4.44Å; L1584-K1635 HydrophobicContact CD2-CB 4.09Å; S1632-K1635 PolarHBondContact O-N 2.91Å; L1633-K1635 VanDerWaalsContact C-N 3.28Å; L1633-K1635 PolarHBondContact O-N 3.31Å; K1635-Q1638 VanDerWaalsContact O-CB 3.3Å; K1635-Q1638 WeakPolarHBondContact O-CB 3.44Å; K1635-Q1638 PolarHBondContact O-N 3.27Å
1636V92Very high84.4Confident3 Ų360.8 Ų60.82%0.01831%0.311CS..Hα-helixtrans-72.4-43.2171.7-179.90000111.2L1563 I1566 L1584 L1587 L1625 S1632 L1633 E1634 Q1638 L1639L1563-V1636 HydrophobicContact CD1-CG1 3.59Å; I1566-V1636 HydrophobicContact CD1-CG2 3.72Å; I1566-V1636 HydrophobicContact CG2-CG2 4.14Å; L1584-V1636 HydrophobicContact CD1-CG2 4.06Å; L1587-V1636 HydrophobicContact CD2-CG1 4.18Å; L1625-V1636 HydrophobicContact CD1-CG1 4.22Å; L1625-V1636 HydrophobicContact CD2-CG1 4.22Å; S1632-V1636 PolarHBondContact O-N 2.98Å; L1633-V1636 PolarHBondContact O-N 3.44Å; L1633-V1636 VanDerWaalsContact O-N 3.15Å; E1634-V1636 VanDerWaalsContact C-N 3.33Å; E1634-V1636 PolarHBondContact O-N 3.45Å; V1636-Q1638 PolarHBondContact O-N 3.07Å; V1636-L1639 WeakPolarHBondContact O-CB 3.5Å; V1636-L1639 PolarHBondContact O-N 3.12Å
1637H90.6Very high83.8Confident77 Ų7762.5 Ų62.536%0.35630%0.303SS..Hα-helixtrans-58.8-33.7172.8-77.6-63.3000112L1633 E1634 L1639 L1640L1633-H1637 PolarHBondContact O-CD2 3.2Å; L1633-H1637 PolarHBondContact O-N 2.89Å; E1634-H1637 PolarHBondContact O-N 3.17Å; H1637-L1639 PolarHBondContact O-N 2.86Å; H1637-L1640 PolarHBondContact O-N 3.38Å
1638Q92Very high83.6Confident17 Ų1759.8 Ų59.88%0.07929%0.293CS..THydrogen-bonded Turntrans-59.3-26174.2-154.3171.93700113V289 S291 A292 C373 C374 E1634 K1635 V1636 L1640V289-Q1638 PolarHBondContact O-NE2 3.5Å; S291-Q1638 CarbonylContact C-O 3.6Å; S291-Q1638 WeakPolarHBondContact CA-O 3.49Å; A292-Q1638 WeakPolarHBondContact CB-O 3.46Å; A292-Q1638 PolarHBondContact N-O 3.29Å; C373-Q1638 PolarHBondContact O-NE2 3.36Å; C374-Q1638 PolarHBondContact SG-NE2 3.33Å; C374-Q1638 VanDerWaalsContact SG-NE2 3.41Å; E1634-Q1638 PolarHBondContact O-N 3.43Å; K1635-Q1638 VanDerWaalsContact O-CB 3.3Å; K1635-Q1638 WeakPolarHBondContact O-CB 3.44Å; K1635-Q1638 PolarHBondContact O-N 3.27Å; V1636-Q1638 PolarHBondContact O-N 3.07Å; Q1638-L1640 VanDerWaalsContact C-N 3.32Å
1639L91Very high82.8Confident9 Ų954.6 Ų54.65%0.04728%0.276CS..THydrogen-bonded Turntrans-79.8-9.6175.7-59.1-177.9000113.9A292 L1584 L1587 I1591 V1636 H1637A292-L1639 HydrophobicContact CB-CD2 3.99Å; L1584-L1639 HydrophobicContact CD1-CD1 3.68Å; L1584-L1639 HydrophobicContact CD1-CG 4.26Å; L1584-L1639 HydrophobicContact CG-CD1 4.3Å; L1587-L1639 HydrophobicContact CB-CD1 4.41Å; L1587-L1639 HydrophobicContact CD2-CD1 4.27Å; L1587-L1639 HydrophobicContact CG-CD1 4.18Å; I1591-L1639 HydrophobicContact CD1-CB 4Å; I1591-L1639 HydrophobicContact CD1-CD1 4.32Å; V1636-L1639 WeakPolarHBondContact O-CB 3.5Å; V1636-L1639 PolarHBondContact O-N 3.12Å; H1637-L1639 PolarHBondContact O-N 2.86Å
1640L90.1Very high82.2Confident5 Ų550.7 Ų50.73%0.02626%0.259CS..SBendtrans-107.4165-171.9-61.7174.9000112.4S291 I1591 V1618 L1621 Q1622 L1625 H1637 Q1638S291-L1640 PolarHBondContact OG-O 3.46Å; I1591-L1640 HydrophobicContact CD1-CD2 4.28Å; V1618-L1640 HydrophobicContact CG2-CD2 4.32Å; L1621-L1640 HydrophobicContact CB-CD2 4.35Å; L1621-L1640 HydrophobicContact CD1-CD2 4.14Å; Q1622-L1640 HydrophobicContact CG-CD1 4.03Å; L1625-L1640 HydrophobicContact CD1-CD1 3.51Å; H1637-L1640 PolarHBondContact O-N 3.38Å; Q1638-L1640 VanDerWaalsContact C-N 3.32Å
1641P86.8Confident81.2Confident21 Ų2150 Ų5014%0.13625%0.253CS..PPolyproline II helixtrans-61.4142.2168.7-24.536.1000111.9Y1614 V1618Y1614-P1641 WeakPolarHBondContact OH-CG 3.3Å; V1618-P1641 HydrophobicContact CG1-CG 4.07Å; V1618-P1641 HydrophobicContact CG2-CG 4.43Å
1642L87.1Confident80.1Confident19 Ų1950.4 Ų50.410%0.09926%0.26CS..PPolyproline II helixtrans-63133.1-175.9-58.7176.8000111.1R252 H253 L256 Q290R252-L1642 HydrophobicContact CB-CD1 4.29Å; H253-L1642 HydrophobicContact CB-CB 4.12Å; H253-L1642 HydrophobicContact CB-CG 4.44Å; L256-L1642 HydrophobicContact CD1-CD1 3.69Å; Q290-L1642 HydrophobicContact CB-CD2 3.59Å; Q290-L1642 WeakPolarHBondContact O-CD2 3.28Å
1643P81.9Confident79Confident99 Ų9952.4 Ų52.464%0.64327%0.268SS*.PPolyproline II helixtrans-70.1147.1-179.828.8-34.8000112.1Q1645P1643-Q1645 PolarHBondContact O-N 3.09Å
1644K81.7Confident77.4Confident79 Ų7955.4 Ų55.434%0.34329%0.288SS..PPolyproline II helixtrans-67.1126.3173.3-69.5-178.2172.3179.20109.9D182 F184 D251 N1646D182-K1644 IonicContact OD2-NZ 3.69Å; D182-K1644 PolarHBondContact OD2-NZ 3.04Å; F184-K1644 HydrophobicContact CB-CD 4.32Å; F184-K1644 HydrophobicContact CD2-CD 4.16Å; F184-K1644 HydrophobicContact CG-CD 4.14Å; D251-K1644 WeakPolarHBondContact OD2-CE 3.47Å; D251-K1644 IonicContact OD2-NZ 3.42Å; D251-K1644 PolarHBondContact OD2-NZ 3.35Å; K1644-N1646 PolarHBondContact O-N 3.46Å; K1644-N1646 VanDerWaalsContact O-N 3.09Å
1645Q75.4Confident75.8Confident79 Ų7953.6 Ų53.637%0.36928%0.28SS..  trans-74.699.8-177.7-77.6-177.1-20.700111P1643 P1688P1643-Q1645 PolarHBondContact O-N 3.09Å; Q1645-P1688 VanDerWaalsContact O-CD 3.27Å; Q1645-P1688 WeakPolarHBondContact O-CD 3.43Å; Q1645-P1688 VanDerWaalsContact O-CG 3.23Å; Q1645-P1688 WeakPolarHBondContact O-CG 3.28Å
1646N73.8Confident74.4Confident70 Ų7052.8 Ų52.837%0.37429%0.288SS..PPolyproline II helixtrans-89.6148.4163-67.4-34.2000109.7K1644 K1685 I1686K1644-N1646 PolarHBondContact O-N 3.46Å; K1644-N1646 VanDerWaalsContact O-N 3.09Å; N1646-K1685 HydrophobicContact CB-CB 3.93Å; N1646-K1685 HydrophobicContact CB-CG 4.23Å; N1646-I1686 CarbonylContact C-O 3.52Å; N1646-I1686 WeakPolarHBondContact CA-O 3.38Å
1647R68.6Low72.7Confident81 Ų8154.1 Ų54.131%0.30630%0.297SS..EExtended strand (participates in β ladder)trans-85.1122.9171.7-74-171.6169.713711109.7D247 I1686D247-R1647 IonicContact OD1-CZ 3.61Å; D247-R1647 VanDerWaalsContact OD1-CZ 3.26Å; D247-R1647 IonicContact OD1-NH1 2.71Å; D247-R1647 PolarHBondContact OD1-NH1 3.32Å; D247-R1647 IonicContact OD1-NH2 3.29Å; D247-R1647 PolarHBondContact OD1-NH2 2.92Å; R1647-I1686 PolarHBondContact N-O 3.22Å; R1647-I1686 PolarHBondContact O-N 3.43Å
1648D67.8Low71.1Confident77 Ų7754.8 Ų54.841%0.41230%0.303SS..EExtended strand (participates in β ladder)trans-75.9119.2174.7-72.4-37.2000109.9K1683 K1685D1648-K1683 HydrophobicContact CB-CG 4.36Å; D1648-K1683 VanDerWaalsContact OD1-CE 3.26Å; D1648-K1683 WeakPolarHBondContact OD1-CE 3.46Å; D1648-K1683 IonicContact OD1-NZ 2.84Å; D1648-K1683 WeakPolarHBondContact OD2-CE 3.26Å; D1648-K1683 IonicContact OD2-NZ 2.78Å; D1648-K1683 PolarHBondContact OD2-NZ 2.72Å; D1648-K1685 WeakPolarHBondContact OD1-CE 3.47Å; D1648-K1685 WeakPolarHBondContact OD1-CG 3.48Å
1649V60.9Low69.7Low22 Ų2258.8 Ų58.813%0.13332%0.324CS..EExtended strand (participates in β ladder)trans-110.5123.4174.1173.60000109.1Q1684 I1686 L1702V1649-Q1684 PolarHBondContact N-O 3.17Å; V1649-Q1684 PolarHBondContact O-N 2.74Å; V1649-I1686 HydrophobicContact CB-CD1 4.15Å; V1649-I1686 HydrophobicContact CG2-CD1 3.7Å; V1649-I1686 HydrophobicContact CG2-CG1 4.13Å; V1649-L1702 HydrophobicContact CG1-CD2 3.74Å; V1649-L1702 HydrophobicContact CG2-CD2 4.04Å
1650I63.5Low68.6Low95 Ų9560.9 Ų60.949%0.48734%0.335SS..EExtended strand (participates in β ladder)trans-79.4122.5175.3-57.3-180000108.5V1680I1650-V1680 HydrophobicContact CG2-CB 4.28Å; I1650-V1680 HydrophobicContact CG2-CG1 3.68Å; I1650-V1680 HydrophobicContact CG2-CG2 3.73Å
1651T63.5Low67.6Low36 Ų3667.9 Ų67.922%0.22138%0.378CS..EExtended strand (participates in β ladder)trans-100.9141.3169.564.60000109.3S1681 T1682 Q1684T1651-S1681 PolarHBondContact O-N 2.87Å; T1651-S1681 PolarHBondContact O-OG 3.18Å; T1651-S1681 PolarHBondContact OG1-OG 3.46Å; T1651-T1682 PolarHBondContact N-O 2.85Å; T1651-T1682 PolarHBondContact OG1-N 2.82Å; T1651-T1682 PolarHBondContact OG1-O 2.96Å; T1651-T1682 PolarHBondContact OG1-OG1 3.32Å; T1651-Q1684 HydrophobicContact CG2-CB 4.31Å
1652C59.9Low66.4Low68 Ų6875.2 Ų75.246%0.45941%0.408SS..EExtended strand (participates in β ladder)trans-124.9144-177.9-590000110.5L1678 Q1679C1652-L1678 HydrophobicContact CB-CB 4.32Å; C1652-L1678 HydrophobicContact CB-CD2 4.32Å; C1652-Q1679 CarbonylContact C-O 3.52Å; C1652-Q1679 VanDerWaalsContact CA-O 3.24Å; C1652-Q1679 WeakPolarHBondContact CA-O 3.23Å
1653E64Low65.1Low49 Ų4976.8 Ų76.823%0.22943%0.429CS..EExtended strand (participates in β ladder)trans-124.4167.8174.681.3-176.3124.800111.8Q1655 S1657 K1665 Q1679 S1681E1653-Q1655 PolarHBondContact O-N 2.93Å; E1653-S1657 WeakPolarHBondContact OE2-CB 3.28Å; E1653-S1657 PolarHBondContact OE2-OG 3.43Å; E1653-K1665 VanDerWaalsContact OE2-CE 3.31Å; E1653-K1665 WeakPolarHBondContact OE2-CE 3.42Å; E1653-K1665 IonicContact OE2-NZ 3.92Å; E1653-K1665 PolarHBondContact OE2-NZ 3.2Å; E1653-Q1679 PolarHBondContact N-O 3.48Å; E1653-Q1679 PolarHBondContact O-N 3.45Å; E1653-S1681 WeakPolarHBondContact OE1-CB 3.21Å
1654P55.5Low64.2Low74 Ų7476.4 Ų76.448%0.48142%0.421SS..EExtended strand (participates in β ladder)trans-63.9124.6174.3-20.934.2000111.6G1656 S1657P1654-G1656 PolarHBondContact O-N 3.09Å; P1654-S1657 WeakPolarHBondContact O-CB 3.46Å; P1654-S1657 PolarHBondContact O-N 2.89Å; P1654-S1657 PolarHBondContact O-OG 2.7Å
1655Q53.9Low62.9Low90 Ų9078.4 Ų78.442%0.42143%0.43SS..THydrogen-bonded Turntrans-62.4128.2176.5-171.6160.516.600110.2E1653 G1677 Q1679E1653-Q1655 PolarHBondContact O-N 2.93Å; Q1655-G1677 VanDerWaalsContact CB-O 3.28Å; Q1655-G1677 WeakPolarHBondContact CB-O 3.48Å; Q1655-G1677 PolarHBondContact N-O 3.48Å; Q1655-Q1679 HydrophobicContact CB-CB 4.01Å; Q1655-Q1679 HydrophobicContact CG-CB 4.24Å
1656G62.4Low62.3Low39 Ų3978.2 Ų78.240%0.40243%0.43SS..THydrogen-bonded Turntrans114.6-12.4-169.500000114.5P1654 L1658P1654-G1656 PolarHBondContact O-N 3.09Å; G1656-L1658 PolarHBondContact O-N 2.82Å
1657S56.9Low61.3Low31 Ų3179.9 Ų79.922%0.21745%0.454CS..  trans-64.381.1179.7-65.90000114.2E1653 P1654 K1665E1653-S1657 WeakPolarHBondContact OE2-CB 3.28Å; E1653-S1657 PolarHBondContact OE2-OG 3.43Å; P1654-S1657 WeakPolarHBondContact O-CB 3.46Å; P1654-S1657 PolarHBondContact O-N 2.89Å; P1654-S1657 PolarHBondContact O-OG 2.7Å; S1657-K1665 VanDerWaalsContact CB-NZ 3.32Å; S1657-K1665 PolarHBondContact OG-NZ 3.37Å
1658L56.6Low60.7Low91 Ų9178.8 Ų78.848%0.47647%0.468SS..  trans-70.3132169.8-116.777.2000111.1G1656 K1665 I1666G1656-L1658 PolarHBondContact O-N 2.82Å; L1658-K1665 WeakPolarHBondContact O-CA 3.31Å; L1658-I1666 HydrophobicContact CB-CD1 4.43Å; L1658-I1666 HydrophobicContact CD2-CD1 4.46Å; L1658-I1666 PolarHBondContact O-N 2.69Å
1659I63.1Low59.8Low101 Ų10180.9 Ų80.952%0.51847%0.474SS..BIsolated β-bridgetrans-111146.817249.4163.8000110.9N1664 K1665I1659-N1664 CarbonylContact C-O 3.59Å; I1659-N1664 VanDerWaalsContact CA-O 3.28Å; I1659-N1664 WeakPolarHBondContact CA-O 3.36Å; I1659-K1665 HydrophobicContact CG2-CG 3.89Å
1660D68.2Low59.3Low53 Ų5386.1 Ų86.128%0.28350%0.501SS..  trans-73.1172.2173.378.3-2000111.7K1662 G1663 N1664 I1666D1660-K1662 PolarHBondContact O-N 3.27Å; D1660-K1662 VanDerWaalsContact OD1-CA 3.25Å; D1660-K1662 WeakPolarHBondContact OD1-CA 3.32Å; D1660-K1662 WeakPolarHBondContact OD1-CB 3.36Å; D1660-K1662 PolarHBondContact OD1-N 2.93Å; D1660-G1663 PolarHBondContact O-N 2.76Å; D1660-G1663 PolarHBondContact OD1-N 2.93Å; D1660-N1664 PolarHBondContact N-O 3.48Å; D1660-N1664 PolarHBondContact OD1-N 3.06Å; D1660-N1664 PolarHBondContact OD1-ND2 3.34Å; D1660-N1664 VanDerWaalsContact OD1-ND2 3.16Å; D1660-N1664 PolarHBondContact OD2-ND2 3.13Å; D1660-I1666 HydrophobicContact CB-CD1 4.27Å; D1660-I1666 HydrophobicContact CB-CG1 4.13Å
1661T68.3Low58.7Low151 Ų15186.3 Ų86.393%0.92651%0.511SS*.THydrogen-bonded Turntrans-66.55.117751.80000114.3
1662K60.9Low58.1Low176 Ų17690.1 Ų90.177%0.76553%0.528SS*.THydrogen-bonded Turntrans-1192.7175.4-60.8172.5-177.3172.40112.3D1660 N1664D1660-K1662 PolarHBondContact O-N 3.27Å; D1660-K1662 VanDerWaalsContact OD1-CA 3.25Å; D1660-K1662 WeakPolarHBondContact OD1-CA 3.32Å; D1660-K1662 WeakPolarHBondContact OD1-CB 3.36Å; D1660-K1662 PolarHBondContact OD1-N 2.93Å; K1662-N1664 WeakPolarHBondContact CB-ND2 3.46Å
1663G59.9Low57.3Low52 Ų5296 Ų9654%0.53655%0.547SS..SBendtrans85.112.4178.500000115.9D1660D1660-G1663 PolarHBondContact O-N 2.76Å; D1660-G1663 PolarHBondContact OD1-N 2.93Å
1664N63.9Low56.5Low91 Ų91103.8 Ų103.849%0.48758%0.58SS.*  trans-90.8138.1176.8-48.5-74.6000110.5I1659 D1660 K1662 I1666I1659-N1664 CarbonylContact C-O 3.59Å; I1659-N1664 VanDerWaalsContact CA-O 3.28Å; I1659-N1664 WeakPolarHBondContact CA-O 3.36Å; D1660-N1664 PolarHBondContact N-O 3.48Å; D1660-N1664 PolarHBondContact OD1-N 3.06Å; D1660-N1664 PolarHBondContact OD1-ND2 3.34Å; D1660-N1664 VanDerWaalsContact OD1-ND2 3.16Å; D1660-N1664 PolarHBondContact OD2-ND2 3.13Å; K1662-N1664 WeakPolarHBondContact CB-ND2 3.46Å; N1664-I1666 PolarHBondContact O-N 3.23Å
1665K54.4Low56Low120 Ų120108 Ų10852%0.52259%0.59SS.*BIsolated β-bridgetrans-67.1130.2175.3-67.3-160.4171-159.80111.5E1653 S1657 L1658 I1659 A1667E1653-K1665 VanDerWaalsContact OE2-CE 3.31Å; E1653-K1665 WeakPolarHBondContact OE2-CE 3.42Å; E1653-K1665 IonicContact OE2-NZ 3.92Å; E1653-K1665 PolarHBondContact OE2-NZ 3.2Å; S1657-K1665 VanDerWaalsContact CB-NZ 3.32Å; S1657-K1665 PolarHBondContact OG-NZ 3.37Å; L1658-K1665 WeakPolarHBondContact O-CA 3.31Å; I1659-K1665 HydrophobicContact CG2-CG 3.89Å; K1665-A1667 PolarHBondContact O-N 3.47Å
1666I62.8Low55.9Low75 Ų75111.7 Ų111.739%0.38561%0.608SS.*  trans-82.2103.1179.7-55.6179000108.7L1658 D1660 N1664 G1668L1658-I1666 HydrophobicContact CB-CD1 4.43Å; L1658-I1666 HydrophobicContact CD2-CD1 4.46Å; L1658-I1666 PolarHBondContact O-N 2.69Å; D1660-I1666 HydrophobicContact CB-CD1 4.27Å; D1660-I1666 HydrophobicContact CB-CG1 4.13Å; N1664-I1666 PolarHBondContact O-N 3.23Å; I1666-G1668 PolarHBondContact O-N 2.94Å
1667A51.3Low55.7Low105 Ų105111.5 Ų111.587%0.86861%0.606SS**THydrogen-bonded Turntrans-68.7116.4176.800000111K1665K1665-A1667 PolarHBondContact O-N 3.47Å
1668G56.5Low55.8Low58 Ų58116.2 Ų116.260%0.59863%0.628SS**THydrogen-bonded Turntrans131.4-4.5170.200000117I1666I1666-G1668 PolarHBondContact O-N 2.94Å
1669F48.8Very low56.1Low121 Ų121116.5 Ų116.553%0.53163%0.627SS.*  trans-91.5-3.1-173.9-125.5-91.6000115.7S1671F1669-S1671 PolarHBondContact O-N 3.1Å
1670D51.4Low56.1Low132 Ų132115.9 Ų115.971%0.70663%0.628SS**THydrogen-bonded Turntrans-67.72.3-173.3-53.8-70.1000115.5
1671S49.6Very low56Low100 Ų100115.6 Ų115.670%0.69963%0.63SS**THydrogen-bonded Turntrans-102.3-9.6-163.2570000116.2F1669F1669-S1671 PolarHBondContact O-N 3.1Å
1672I51.1Low55.8Low115 Ų115112.3 Ų112.359%0.5961%0.61SS**SBendtrans-106.2-26.9-164.8-60.8-177.3000114.8
1673F43.3Very low56.1Low193 Ų193109.3 Ų109.385%0.84660%0.597SS**  trans-128.3117.6179-88.8-82.7000114.2K1675F1673-K1675 PolarHBondContact O-N 3.2Å
1674K47.9Very low56.4Low211 Ų211111.8 Ų111.892%0.91759%0.594SS**  trans-75.673.8179.2-64.8180178.3177.80112.9
1675K44.3Very low56.7Low162 Ų162112 Ų11270%0.70459%0.591SS**  trans-136.780.2164.3-76.1-165.6175.3-176.20110.9F1673F1673-K1675 PolarHBondContact O-N 3.2Å
1676E53.4Low57.4Low168 Ų168107.3 Ų107.379%0.78557%0.571SS**  trans-65.4129.4168.1-65177.9-176.200109.7
1677G56.7Low58.1Low36 Ų36104.7 Ų104.737%0.37156%0.559SS.*  trans-173.2171.6-177.200000112.8Q1655Q1655-G1677 VanDerWaalsContact CB-O 3.28Å; Q1655-G1677 WeakPolarHBondContact CB-O 3.48Å; Q1655-G1677 PolarHBondContact N-O 3.48Å
1678L58.4Low59.4Low130 Ų13099.7 Ų99.768%0.68152%0.518SS*.EExtended strand (participates in β ladder)trans-97118.5165.9-75.9173.2000108.6C1652C1652-L1678 HydrophobicContact CB-CB 4.32Å; C1652-L1678 HydrophobicContact CB-CD2 4.32Å
1679Q62.9Low60.6Low97 Ų9797.7 Ų97.745%0.45349%0.493SS..EExtended strand (participates in β ladder)trans-95.1137.5171-178167.2-16.800108.7C1652 E1653 Q1655 S1681C1652-Q1679 CarbonylContact C-O 3.52Å; C1652-Q1679 VanDerWaalsContact CA-O 3.24Å; C1652-Q1679 WeakPolarHBondContact CA-O 3.23Å; E1653-Q1679 PolarHBondContact N-O 3.48Å; E1653-Q1679 PolarHBondContact O-N 3.45Å; Q1655-Q1679 HydrophobicContact CB-CB 4.01Å; Q1655-Q1679 HydrophobicContact CG-CB 4.24Å; Q1679-S1681 PolarHBondContact O-N 3.13Å
1680V63.3Low61.7Low88 Ų8898 Ų9853%0.53350%0.496SS..EExtended strand (participates in β ladder)trans-64120.3168.4172.80000107.8I1650I1650-V1680 HydrophobicContact CG2-CB 4.28Å; I1650-V1680 HydrophobicContact CG2-CG1 3.68Å; I1650-V1680 HydrophobicContact CG2-CG2 3.73Å
1681S67Low62.5Low46 Ų4693.2 Ų93.232%0.32247%0.47SS..EExtended strand (participates in β ladder)trans-93.4-56.8-178.462.10000111.1T1651 E1653 Q1679T1651-S1681 PolarHBondContact O-N 2.87Å; T1651-S1681 PolarHBondContact O-OG 3.18Å; T1651-S1681 PolarHBondContact OG1-OG 3.46Å; E1653-S1681 WeakPolarHBondContact OE1-CB 3.21Å; Q1679-S1681 PolarHBondContact O-N 3.13Å
1682T65.1Low63.2Low82 Ų8289.8 Ų89.850%0.50344%0.443SS..EExtended strand (participates in β ladder)trans-143.1154.8178.675.60000113.1T1651T1651-T1682 PolarHBondContact N-O 2.85Å; T1651-T1682 PolarHBondContact OG1-N 2.82Å; T1651-T1682 PolarHBondContact OG1-O 2.96Å; T1651-T1682 PolarHBondContact OG1-OG1 3.32Å
1683K66.5Low63.5Low113 Ų11388 Ų8849%0.49143%0.432SS..EExtended strand (participates in β ladder)trans-101.7102.4174.5-176.1-174.9173.7-164.60108.3D1648D1648-K1683 HydrophobicContact CB-CG 4.36Å; D1648-K1683 VanDerWaalsContact OD1-CE 3.26Å; D1648-K1683 WeakPolarHBondContact OD1-CE 3.46Å; D1648-K1683 IonicContact OD1-NZ 2.84Å; D1648-K1683 WeakPolarHBondContact OD2-CE 3.26Å; D1648-K1683 IonicContact OD2-NZ 2.78Å; D1648-K1683 PolarHBondContact OD2-NZ 2.72Å
1684Q66.7Low63.9Low104 Ų10479.7 Ų79.749%0.48640%0.4SS..EExtended strand (participates in β ladder)trans-93.7122.1-175.6-173.2176.35.300111.3V1649 T1651 I1686V1649-Q1684 PolarHBondContact N-O 3.17Å; V1649-Q1684 PolarHBondContact O-N 2.74Å; T1651-Q1684 HydrophobicContact CG2-CB 4.31Å; Q1684-I1686 HydrophobicContact CG-CG1 4.31Å
1685K69.6Low64.1Low96 Ų9672.1 Ų72.142%0.41737%0.37SS..EExtended strand (participates in β ladder)trans-82122.2172.9-78.5165.7179170.40110.4E1627 N1646 D1648E1627-K1685 IonicContact OE1-NZ 3.15Å; E1627-K1685 PolarHBondContact OE1-NZ 2.92Å; E1627-K1685 IonicContact OE2-NZ 3.52Å; E1627-K1685 PolarHBondContact OE2-NZ 2.96Å; N1646-K1685 HydrophobicContact CB-CB 3.93Å; N1646-K1685 HydrophobicContact CB-CG 4.23Å; D1648-K1685 WeakPolarHBondContact OD1-CE 3.47Å; D1648-K1685 WeakPolarHBondContact OD1-CG 3.48Å
1686I69.2Low63.9Low22 Ų2273.3 Ų73.311%0.11338%0.375CS..EExtended strand (participates in β ladder)trans-116139.8178.6-56-171.1000109.5N1646 R1647 V1649 Q1684 E1690 L1691 L1702N1646-I1686 CarbonylContact C-O 3.52Å; N1646-I1686 WeakPolarHBondContact CA-O 3.38Å; R1647-I1686 PolarHBondContact N-O 3.22Å; R1647-I1686 PolarHBondContact O-N 3.43Å; V1649-I1686 HydrophobicContact CB-CD1 4.15Å; V1649-I1686 HydrophobicContact CG2-CD1 3.7Å; V1649-I1686 HydrophobicContact CG2-CG1 4.13Å; Q1684-I1686 HydrophobicContact CG-CG1 4.31Å; I1686-E1690 HydrophobicContact CG2-CB 4.21Å; I1686-L1691 HydrophobicContact CG2-CD2 4.15Å; I1686-L1702 HydrophobicContact CD1-CD1 4.21Å; I1686-L1702 HydrophobicContact CD1-CD2 4.48Å
1687S77Confident63.4Low19 Ų1971 Ų7113%0.13337%0.374CS..  trans-75.9138.7178.8176.30000111.3F184 W1689 E1690F184-S1687 WeakPolarHBondContact CZ-OG 3.42Å; S1687-W1689 PolarHBondContact O-N 2.85Å; S1687-W1689 PolarHBondContact OG-N 2.91Å; S1687-E1690 WeakPolarHBondContact CB-OE2 3.46Å; S1687-E1690 PolarHBondContact N-OE2 2.9Å; S1687-E1690 PolarHBondContact O-N 3.27Å
1688P78.9Confident62.4Low1 Ų173.8 Ų73.81%0.00639%0.388CS..G310 helixtrans-56.2-22.6172.5-27.237.1000114K161 D247 M249 Q1645 E1690K161-P1688 WeakPolarHBondContact CE-O 3.46Å; K161-P1688 PolarHBondContact NZ-O 2.94Å; D247-P1688 WeakPolarHBondContact O-CB 3.49Å; D247-P1688 WeakPolarHBondContact O-CG 3.32Å; M249-P1688 HydrophobicContact CG-CB 4.43Å; Q1645-P1688 VanDerWaalsContact O-CD 3.27Å; Q1645-P1688 WeakPolarHBondContact O-CD 3.43Å; Q1645-P1688 VanDerWaalsContact O-CG 3.23Å; Q1645-P1688 WeakPolarHBondContact O-CG 3.28Å; P1688-E1690 VanDerWaalsContact C-N 3.32Å
1689W81Confident61.4Low16 Ų1674 Ų746%0.06140%0.395CS..G310 helixtrans-73.3-18.2175.8-69.598.1000114.4I160 K161 C164 P183 F184 W187 M244 M249 S1687 F1692I160-W1689 HydrophobicContact CG2-CH2 3.8Å; I160-W1689 HydrophobicContact CG2-CZ3 3.89Å; K161-W1689 HydrophobicContact CG-CE3 4.1Å; K161-W1689 HydrophobicContact CG-CZ3 4.29Å; C164-W1689 HydrophobicContact CB-CE3 3.87Å; C164-W1689 HydrophobicContact CB-CZ3 3.66Å; P183-W1689 HydrophobicContact CB-CD2 3.7Å; P183-W1689 HydrophobicContact CB-CE3 4.28Å; P183-W1689 HydrophobicContact CB-CG 3.83Å; P183-W1689 HydrophobicContact CB-CZ2 4.31Å; F184-W1689 AromaticContact CD1-NE1 3.84Å; F184-W1689 AromaticContact CE1-CD1 3.99Å; F184-W1689 AromaticContact CE2-CD1 3.99Å; F184-W1689 AromaticContact CG-NE1 3.91Å; F184-W1689 AromaticContact CZ-CD1 3.91Å; W187-W1689 HydrophobicContact CB-CH2 3.73Å; W187-W1689 HydrophobicContact CB-CZ2 3.86Å; W187-W1689 AromaticContact CD1-CH2 3.22Å; W187-W1689 AromaticContact CD1-CZ2 3.77Å; W187-W1689 AromaticContact CD1-CZ3 3.76Å; W187-W1689 HydrophobicContact CD2-CH2 4.12Å; W187-W1689 AromaticContact CG-CH2 3.41Å; W187-W1689 HydrophobicContact CG-CH2 3.41Å; W187-W1689 VanDerWaalsContact CG-CH2 3.41Å; W187-W1689 AromaticContact CG-CZ2 3.98Å; W187-W1689 HydrophobicContact CG-CZ2 3.98Å; W187-W1689 HydrophobicContact CG-CZ3 4.26Å; W187-W1689 AromaticContact NE1-CH2 3.8Å; W187-W1689 AromaticContact NE1-CZ3 3.9Å; M244-W1689 HydrophobicContact CE-CH2 4.42Å; M249-W1689 HydrophobicContact CB-CZ2 3.87Å; M249-W1689 HydrophobicContact CE-CD2 4.41Å; M249-W1689 HydrophobicContact CE-CE3 4.04Å; M249-W1689 HydrophobicContact CE-CH2 3.43Å; M249-W1689 VanDerWaalsContact CE-CH2 3.43Å; M249-W1689 HydrophobicContact CE-CZ2 3.86Å; M249-W1689 HydrophobicContact CE-CZ3 3.54Å; M249-W1689 WeakPolarHBondContact O-CZ2 3.4Å; M249-W1689 PolarHBondContact O-NE1 2.88Å; S1687-W1689 PolarHBondContact O-N 2.85Å; S1687-W1689 PolarHBondContact OG-N 2.91Å; W1689-F1692 WeakPolarHBondContact O-CZ 3.38Å
1690E72.6Confident60.2Low126 Ų12673.9 Ų73.959%0.58941%0.41SS*.G310 helixtrans-89.9-7.6-179.3-63.6171.313100112.7I1686 S1687 P1688 F1692I1686-E1690 HydrophobicContact CG2-CB 4.21Å; S1687-E1690 WeakPolarHBondContact CB-OE2 3.46Å; S1687-E1690 PolarHBondContact N-OE2 2.9Å; S1687-E1690 PolarHBondContact O-N 3.27Å; P1688-E1690 VanDerWaalsContact C-N 3.32Å; E1690-F1692 WeakPolarHBondContact O-CD2 3.33Å
1691L68.2Low59.2Low32 Ų3274.1 Ų74.117%0.16841%0.414CS..  trans-93.5104.7-174.8-60.9176.9000111.7I1686 L1702I1686-L1691 HydrophobicContact CG2-CD2 4.15Å; L1691-L1702 HydrophobicContact CD2-CD1 3.92Å
1692F64.9Low57.9Low28 Ų2875 Ų7512%0.12342%0.415CS..  trans-113.3121.2-177.2-60.5-75.4000113.7M96 K161 M162 A165 W1689 E1690 L1695 W1704M96-F1692 HydrophobicContact CE-CD2 4.23Å; M96-F1692 HydrophobicContact CE-CE2 3.93Å; K161-F1692 HydrophobicContact CB-CD1 4.26Å; K161-F1692 HydrophobicContact CB-CE1 3.86Å; M162-F1692 HydrophobicContact CE-CB 4.41Å; M162-F1692 HydrophobicContact CE-CD1 3.3Å; M162-F1692 HydrophobicContact CE-CE1 3.75Å; M162-F1692 HydrophobicContact CE-CG 4.03Å; A165-F1692 HydrophobicContact CB-CE1 4.05Å; A165-F1692 HydrophobicContact CB-CZ 3.81Å; W1689-F1692 WeakPolarHBondContact O-CZ 3.38Å; E1690-F1692 WeakPolarHBondContact O-CD2 3.33Å; F1692-L1695 HydrophobicContact CB-CD1 4.06Å; F1692-W1704 WeakPolarHBondContact O-CZ2 3.49Å
1693E57.1Low56.7Low78 Ų7874.7 Ų74.736%0.36442%0.416SS..SBendtrans-74.6131.9169.4-75.8-171.3178.600112.5L126 W158 W1704 T1709L126-E1693 HydrophobicContact CD1-CB 4.3Å; W158-E1693 PolarHBondContact NE1-O 3.23Å; E1693-W1704 HydrophobicContact CB-CH2 4.46Å; E1693-W1704 HydrophobicContact CG-CH2 3.73Å; E1693-W1704 HydrophobicContact CG-CZ3 3.58Å; E1693-T1709 WeakPolarHBondContact OE1-CB 3.33Å; E1693-T1709 WeakPolarHBondContact OE1-CG2 3.3Å; E1693-T1709 PolarHBondContact OE1-OG1 3.23Å
1694G52.5Low55.5Low18 Ų1874.5 Ų74.519%0.18641%0.412CS..SBendtrans107.4-13.1161.500000117.5T127T127-G1694 VanDerWaalsContact CG2-O 3.29Å; T127-G1694 WeakPolarHBondContact CG2-O 3.19Å
1695L50.1Low54.2Low52 Ų5273 Ų7327%0.27242%0.418SS..PPolyproline II helixtrans-66.4159.9177.1-73.4163000112.3F1692 R1711F1692-L1695 HydrophobicContact CB-CD1 4.06Å; L1695-R1711 PolarHBondContact O-NH2 3.5Å
1696K42Very low52.7Low188 Ų18878.2 Ų78.282%0.81744%0.435SS*.PPolyproline II helixtrans-84.8142175.5-85.3-172.3175.1-177.10110.3S1698K1696-S1698 PolarHBondContact O-N 3.04Å
1697P42.5Very low51.4Low119 Ų11981.1 Ų81.177%0.77345%0.447SS*.PPolyproline II helixtrans-81.2120-178.131.6-33.5000112.2
1698S35.3Very low49.5Very low94 Ų9483.3 Ų83.366%0.65747%0.473SS*.SBendtrans-148120.1156.8550000108K1696K1696-S1698 PolarHBondContact O-N 3.04Å
1699T37.6Very low47.4Very low136 Ų13685.9 Ų85.983%0.83449%0.488SS*.SBendtrans68.9142-163.371.40000114.7
1700A37.4Very low45.2Very low93 Ų9389 Ų8977%0.76951%0.509SS*.  trans56.6108.3-177.900000117.9
1701P42.8Very low43.7Very low93 Ų9389.1 Ų89.160%0.60450%0.504SS*.  trans-99.586.5178.737-31.3000113.4L86 S1703L86-P1701 HydrophobicContact CD1-CB 4.28Å; L86-P1701 HydrophobicContact CD1-CG 3.8Å; L86-P1701 HydrophobicContact CD2-CG 4.24Å; L86-P1701 HydrophobicContact CG-CG 4.43Å; P1701-S1703 PolarHBondContact O-N 3.25Å
1702L39.1Very low42.3Very low66 Ų6694 Ų9435%0.34653%0.534SS..  trans-73118.5156.5-77173.6000109V1649 I1686 L1691 W1704V1649-L1702 HydrophobicContact CG1-CD2 3.74Å; V1649-L1702 HydrophobicContact CG2-CD2 4.04Å; I1686-L1702 HydrophobicContact CD1-CD1 4.21Å; I1686-L1702 HydrophobicContact CD1-CD2 4.48Å; L1691-L1702 HydrophobicContact CD2-CD1 3.92Å; L1702-W1704 VanDerWaalsContact O-CD1 3.27Å; L1702-W1704 PolarHBondContact O-N 3.47Å
1703S40.9Very low41.1Very low75 Ų7599 Ų9952%0.52456%0.563SS.*  trans-75.1106.1176.5-173.20000110.4P1701 A1705 W1706P1701-S1703 PolarHBondContact O-N 3.25Å; S1703-A1705 PolarHBondContact O-N 3.26Å; S1703-W1706 PolarHBondContact O-N 3.03Å; S1703-W1706 VanDerWaalsContact O-N 3.16Å
1704W39.7Very low40.3Very low109 Ų109104.7 Ų104.741%0.41358%0.581SS.*G310 helixtrans-60-11.2-179-7280.3000114.6F1692 E1693 L1702 W1706 F1707F1692-W1704 WeakPolarHBondContact O-CZ2 3.49Å; E1693-W1704 HydrophobicContact CB-CH2 4.46Å; E1693-W1704 HydrophobicContact CG-CH2 3.73Å; E1693-W1704 HydrophobicContact CG-CZ3 3.58Å; L1702-W1704 VanDerWaalsContact O-CD1 3.27Å; L1702-W1704 PolarHBondContact O-N 3.47Å; W1704-W1706 PolarHBondContact O-N 3.43Å; W1704-F1707 PolarHBondContact O-N 2.91Å
1705A39.7Very low39.7Very low73 Ų73115.4 Ų115.460%0.60362%0.616SS**G310 helixtrans-60.1-21.8171.900000113.8S1703S1703-A1705 PolarHBondContact O-N 3.26Å
1706W37.5Very low39.3Very low204 Ų204115.4 Ų115.477%0.77362%0.618SS**G310 helixtrans-84.3-14.6-176.7-78.260.4000115S1703 W1704S1703-W1706 PolarHBondContact O-N 3.03Å; S1703-W1706 VanDerWaalsContact O-N 3.16Å; W1704-W1706 PolarHBondContact O-N 3.43Å
1707F43.3Very low39.7Very low83 Ų83109 Ų10936%0.36460%0.6SS.*SBendtrans-113.75.7-168.8-66.1-68.2000115.2W1704 T1709W1704-F1707 PolarHBondContact O-N 2.91Å; F1707-T1709 PolarHBondContact O-N 3.3Å
1708G36.4Very low39.9Very low66 Ų66113 Ų11368%0.6860%0.599SS**  trans69.9-12.7173.800000116.6V1710G1708-V1710 PolarHBondContact O-N 3.44Å
1709T34.6Very low40.7Very low54 Ų54111 Ų11133%0.33159%0.594SS.*  trans-84.5101.6178.764.90000111.9E1693 F1707E1693-T1709 WeakPolarHBondContact OE1-CB 3.33Å; E1693-T1709 WeakPolarHBondContact OE1-CG2 3.3Å; E1693-T1709 PolarHBondContact OE1-OG1 3.23Å; F1707-T1709 PolarHBondContact O-N 3.3Å
1710V35.6Very low41.1Very low82 Ų82108.9 Ų108.950%0.49758%0.575SS.*  trans-82.5127-176.2178.80000110.9G1708 V1712G1708-V1710 PolarHBondContact O-N 3.44Å; V1710-V1712 PolarHBondContact O-N 3.2Å
1711R40Very low41.7Very low129 Ų129109.7 Ų109.749%0.48756%0.563SS.*  trans-61.9109.5162.2-75.1-171.7179.7-164.5-2109L1695 D1713 R1714L1695-R1711 PolarHBondContact O-NH2 3.5Å; R1711-D1713 PolarHBondContact O-N 2.87Å; R1711-R1714 PolarHBondContact O-N 3.41Å
1712V39.8Very low42.2Very low133 Ų133110.7 Ų110.781%0.80656%0.559SS**THydrogen-bonded Turntrans-52.6-27.3-171.5-1730000113.8V1710 R1714V1710-V1712 PolarHBondContact O-N 3.2Å; V1712-R1714 PolarHBondContact O-N 2.98Å
1713D39.5Very low42.7Very low135 Ų135113.9 Ų113.972%0.72257%0.572SS**THydrogen-bonded Turntrans-85.210.1-172.7-50.3-49.9000115.6R1711R1711-D1713 PolarHBondContact O-N 2.87Å
1714R41Very low43.3Very low197 Ų197117.1 Ų117.174%0.74357%0.573SS**SBendtrans-118.2130.9176.3-168-178.2179.3177.90.3111.7R1711 V1712 V1716R1711-R1714 PolarHBondContact O-N 3.41Å; V1712-R1714 PolarHBondContact O-N 2.98Å; R1714-V1716 PolarHBondContact O-N 3.28Å
1715R38.8Very low44Very low243 Ų243117.3 Ų117.392%0.91758%0.581SS**PPolyproline II helixtrans-60.4124165.8-95.7-170.5174.7-172.1-2.2109.8
1716V42.5Very low44.7Very low51 Ų51117.9 Ų117.931%0.30957%0.574SS.*PPolyproline II helixtrans-62.1142.2177.6-176.30000109.9R1714 E1720 E1721R1714-V1716 PolarHBondContact O-N 3.28Å; V1716-E1720 HydrophobicContact CG1-CB 3.47Å; V1716-E1720 VanDerWaalsContact CG1-CB 3.47Å; V1716-E1721 HydrophobicContact CG1-CB 4.05Å
1717A49.6Very low45.2Very low54 Ų54113.5 Ų113.545%0.44657%0.565SS.*PPolyproline II helixtrans-78149.117300000110.7G1719 E1720 E1721A1717-G1719 PolarHBondContact O-N 3.49Å; A1717-E1720 HydrophobicContact CB-CG 4.16Å; A1717-E1720 WeakPolarHBondContact CB-OE2 3.46Å; A1717-E1720 PolarHBondContact N-OE2 3.44Å; A1717-E1720 WeakPolarHBondContact O-CA 3.38Å; A1717-E1720 WeakPolarHBondContact O-CB 3.47Å; A1717-E1720 PolarHBondContact O-N 2.99Å; A1717-E1721 PolarHBondContact O-N 3.23Å
1718R46.2Very low45.3Very low202 Ų202118.5 Ų118.576%0.76258%0.583SS**Hα-helixtrans-55.9-34.4-172.4-158.5-171-67.3-179.8-0.4113.6E1721 Q1722R1718-E1721 PolarHBondContact O-N 3.03Å; R1718-Q1722 PolarHBondContact O-N 2.56Å
1719G53.4Low45.6Very low53 Ų53119.9 Ų119.955%0.54657%0.572SS.*Hα-helixtrans-70.1-36.917400000114.4A1717 E1721 Q1722 Q1723A1717-G1719 PolarHBondContact O-N 3.49Å; G1719-E1721 VanDerWaalsContact C-N 3.31Å; G1719-Q1722 WeakPolarHBondContact O-CB 3.28Å; G1719-Q1722 PolarHBondContact O-N 3.43Å; G1719-Q1723 WeakPolarHBondContact O-CB 3.41Å; G1719-Q1723 PolarHBondContact O-N 2.79Å
1720E44.6Very low46.3Very low92 Ų92121.4 Ų121.443%0.4358%0.581SS.*Hα-helixtrans-67.9-34.1173.5-61.6171148.900110.7V1716 A1717 Q1723 R1724V1716-E1720 HydrophobicContact CG1-CB 3.47Å; V1716-E1720 VanDerWaalsContact CG1-CB 3.47Å; A1717-E1720 HydrophobicContact CB-CG 4.16Å; A1717-E1720 WeakPolarHBondContact CB-OE2 3.46Å; A1717-E1720 PolarHBondContact N-OE2 3.44Å; A1717-E1720 WeakPolarHBondContact O-CA 3.38Å; A1717-E1720 WeakPolarHBondContact O-CB 3.47Å; A1717-E1720 PolarHBondContact O-N 2.99Å; E1720-Q1723 PolarHBondContact O-N 3.11Å; E1720-R1724 VanDerWaalsContact O-CB 3.27Å; E1720-R1724 WeakPolarHBondContact O-CB 3.48Å; E1720-R1724 PolarHBondContact O-N 3.06Å
1721E50.7Low47.1Very low110 Ų110123.7 Ų123.751%0.51459%0.586SS.*Hα-helixtrans-67.3-44173.4-172.7165.8-132.200111.2V1716 A1717 R1718 G1719 Q1723 R1724 L1725V1716-E1721 HydrophobicContact CG1-CB 4.05Å; A1717-E1721 PolarHBondContact O-N 3.23Å; R1718-E1721 PolarHBondContact O-N 3.03Å; G1719-E1721 VanDerWaalsContact C-N 3.31Å; E1721-Q1723 PolarHBondContact O-N 2.85Å; E1721-R1724 PolarHBondContact O-N 3.47Å; E1721-L1725 WeakPolarHBondContact O-CG 3.31Å; E1721-L1725 PolarHBondContact O-N 3.23Å
1722Q53.6Low47.1Very low114 Ų114123.6 Ų123.653%0.53359%0.594SS.*Hα-helixtrans-55.7-48.1170.5-136.49421.400111.7R1718 G1719 R1724 L1725 L1726R1718-Q1722 PolarHBondContact O-N 2.56Å; G1719-Q1722 WeakPolarHBondContact O-CB 3.28Å; G1719-Q1722 PolarHBondContact O-N 3.43Å; Q1722-R1724 PolarHBondContact O-N 2.97Å; Q1722-L1725 PolarHBondContact O-N 3.27Å; Q1722-L1726 WeakPolarHBondContact O-CG 3.26Å; Q1722-L1726 PolarHBondContact O-N 2.83Å
1723Q49.7Very low47.5Very low132 Ų132126.5 Ų126.562%0.61759%0.591SS**Hα-helixtrans-68.9-32.8-179.5-166.4175.29.900112.4G1719 E1720 E1721 L1726 L1727G1719-Q1723 WeakPolarHBondContact O-CB 3.41Å; G1719-Q1723 PolarHBondContact O-N 2.79Å; E1720-Q1723 PolarHBondContact O-N 3.11Å; E1721-Q1723 PolarHBondContact O-N 2.85Å; Q1723-L1726 PolarHBondContact O-N 3.28Å; Q1723-L1727 PolarHBondContact O-N 3.09Å
1724R52.7Low47.9Very low144 Ų144126.3 Ų126.354%0.54360%0.597SS.*Hα-helixtrans-71.8-32.6175.1-171.4175.9-177-179.31.5112.9E1720 E1721 Q1722 L1727E1720-R1724 VanDerWaalsContact O-CB 3.27Å; E1720-R1724 WeakPolarHBondContact O-CB 3.48Å; E1720-R1724 PolarHBondContact O-N 3.06Å; E1721-R1724 PolarHBondContact O-N 3.47Å; Q1722-R1724 PolarHBondContact O-N 2.97Å; R1724-L1727 WeakPolarHBondContact O-CB 3.44Å
1725L54.6Low48.4Very low112 Ų112121 Ų12159%0.58658%0.577SS**Hα-helixtrans-64.5-49.2168.7-73.3162.1000110.2E1721 Q1722 L1727 Y1728 H1729E1721-L1725 WeakPolarHBondContact O-CG 3.31Å; E1721-L1725 PolarHBondContact O-N 3.23Å; Q1722-L1725 PolarHBondContact O-N 3.27Å; L1725-L1727 PolarHBondContact O-N 3.31Å; L1725-L1727 VanDerWaalsContact O-N 3.15Å; L1725-Y1728 PolarHBondContact O-N 2.89Å; L1725-H1729 PolarHBondContact O-CD2 3.14Å
1726L54.2Low49Very low86 Ų86114 Ų11445%0.4556%0.563SS.*Hα-helixtrans-60.4-22.7177.5-71.7168.5000114.1Q1722 Q1723 Y1728 H1729Q1722-L1726 WeakPolarHBondContact O-CG 3.26Å; Q1722-L1726 PolarHBondContact O-N 2.83Å; Q1723-L1726 PolarHBondContact O-N 3.28Å; L1726-Y1728 PolarHBondContact O-N 3.21Å; L1726-Y1728 VanDerWaalsContact O-N 3.12Å; L1726-H1729 WeakPolarHBondContact O-CB 3.11Å; L1726-H1729 PolarHBondContact O-N 3.37Å
1727L48.2Very low49.2Very low112 Ų112119.9 Ų119.959%0.58658%0.58SS**THydrogen-bonded Turntrans-60.7-21178.6-144.187.9000113.9Q1723 R1724 L1725Q1723-L1727 PolarHBondContact O-N 3.09Å; R1724-L1727 WeakPolarHBondContact O-CB 3.44Å; L1725-L1727 PolarHBondContact O-N 3.31Å; L1725-L1727 VanDerWaalsContact O-N 3.15Å
1728Y46.4Very low49.8Very low187 Ų187120.5 Ų120.573%0.73358%0.584SS**THydrogen-bonded Turntrans-96.3-2.4176.7-64.5-78.6000113.7L1725 L1726L1725-Y1728 PolarHBondContact O-N 2.89Å; L1726-Y1728 PolarHBondContact O-N 3.21Å; L1726-Y1728 VanDerWaalsContact O-N 3.12Å
1729H42.9Very low50.7Low96 Ų96115.3 Ų115.344%0.44457%0.565SS.*SBendtrans-81.3145.3176.7-70.8-127000111.3L1725 L1726 H1731L1725-H1729 PolarHBondContact O-CD2 3.14Å; L1726-H1729 WeakPolarHBondContact O-CB 3.11Å; L1726-H1729 PolarHBondContact O-N 3.37Å; H1729-H1731 VanDerWaalsContact CB-CD2 3.46Å; H1729-H1731 WeakPolarHBondContact CB-CD2 3.19Å; H1729-H1731 AromaticContact ND1-NE2 3.78Å; H1729-H1731 PolarHBondContact O-N 3.14Å
1730T48.9Very low50.7Low85 Ų85120.1 Ų120.152%0.52157%0.568SS.*THydrogen-bonded Turntrans-76.713.6-169.757.70000114.9R1735T1730-R1735 PolarHBondContact O-NH2 2.84Å
1731H51.4Low51.1Low131 Ų131122.4 Ų122.461%0.60658%0.583SS**THydrogen-bonded Turntrans-86.9-19.6-179.7-39.9-60.2000113.1H1729H1729-H1731 VanDerWaalsContact CB-CD2 3.46Å; H1729-H1731 WeakPolarHBondContact CB-CD2 3.19Å; H1729-H1731 AromaticContact ND1-NE2 3.78Å; H1729-H1731 PolarHBondContact O-N 3.14Å
1732L40.8Very low51.1Low127 Ų127123.7 Ų123.767%0.66559%0.589SS**SBendtrans-96.60.8-177.4-70.5172.1000114.7
1733R48.4Very low50.6Low193 Ų193123.9 Ų123.973%0.72860%0.6SS**SBendtrans-81.2137.6168.4-71.3-171.2178.6-169.80.2109.4R1735R1733-R1735 PolarHBondContact O-N 3.34Å
1734P46.5Very low50.4Low131 Ų131124.6 Ų124.685%0.85161%0.607SS**PPolyproline II helixtrans-52.6126.3169.3-25.134.3000110.4
1735R51.9Low50.3Low85 Ų85123.6 Ų123.632%0.32162%0.619SS.*PPolyproline II helixtrans-95151.2176.7-65.1-88.8174.6151.1-2.9109.3T1730 R1733 Y1739 Y1740T1730-R1735 PolarHBondContact O-NH2 2.84Å; R1733-R1735 PolarHBondContact O-N 3.34Å; R1735-Y1739 HydrophobicContact CB-CD1 3.32Å; R1735-Y1739 HydrophobicContact CB-CE1 4.07Å; R1735-Y1739 HydrophobicContact CB-CG 3.73Å; R1735-Y1739 HydrophobicContact CG-CD1 3.41Å; R1735-Y1739 VanDerWaalsContact CG-CD1 3.41Å; R1735-Y1739 HydrophobicContact CG-CE1 3.63Å; R1735-Y1739 HydrophobicContact CG-CG 3.99Å; R1735-Y1740 HydrophobicContact CB-CE2 3.78Å
1736P52.1Low49.6Very low96 Ų96126 Ų12662%0.62363%0.631SS**PPolyproline II helixtrans-57.5150.2174.3-22.733.8000111.4A1738 Y1739P1736-A1738 PolarHBondContact O-N 3.17Å; P1736-Y1739 WeakPolarHBondContact O-CB 3.18Å; P1736-Y1739 PolarHBondContact O-N 2.91Å
1737R46.7Very low49Very low176 Ų176126.4 Ų126.466%0.66464%0.639SS**G310 helixtrans-49.4-35.4-179.7-126.7178.7-167.9160.54.6112.3D1631 Y1739 Y1740D1631-R1737 IonicContact OD1-NH2 2.67Å; D1631-R1737 PolarHBondContact OD1-NH2 2.85Å; D1631-R1737 IonicContact OD2-CZ 2.66Å; D1631-R1737 IonicContact OD2-NH1 2.61Å; D1631-R1737 PolarHBondContact OD2-NH1 3.21Å; D1631-R1737 IonicContact OD2-NH2 3.62Å; D1631-R1737 PolarHBondContact OD2-NH2 3.21Å; D1631-R1737 VanDerWaalsContact OD2-NH2 3.16Å; R1737-Y1739 VanDerWaalsContact C-N 3.34Å; R1737-Y1739 PolarHBondContact O-N 3.26Å; R1737-Y1740 PolarHBondContact O-N 2.92Å
1738A63Low48.8Very low66 Ų66127 Ų12755%0.54565%0.65SS.*G310 helixtrans-59.8-34.5177.800000114.5P1736 Y1740 L1741 E1742P1736-A1738 PolarHBondContact O-N 3.17Å; A1738-Y1740 PolarHBondContact O-N 3.4Å; A1738-Y1740 VanDerWaalsContact O-N 3.17Å; A1738-L1741 CarbonylContact O-C 3.6Å; A1738-L1741 PolarHBondContact O-N 3.12Å; A1738-E1742 PolarHBondContact O-N 3.35Å
1739Y64.4Low48.4Very low93 Ų93126.4 Ų126.437%0.36565%0.654SS.*G310 helixtrans-65-18.5178.7175.4-99.9000113.3R1735 P1736 R1737R1735-Y1739 HydrophobicContact CB-CD1 3.32Å; R1735-Y1739 HydrophobicContact CB-CE1 4.07Å; R1735-Y1739 HydrophobicContact CB-CG 3.73Å; R1735-Y1739 HydrophobicContact CG-CD1 3.41Å; R1735-Y1739 VanDerWaalsContact CG-CD1 3.41Å; R1735-Y1739 HydrophobicContact CG-CE1 3.63Å; R1735-Y1739 HydrophobicContact CG-CG 3.99Å; P1736-Y1739 WeakPolarHBondContact O-CB 3.18Å; P1736-Y1739 PolarHBondContact O-N 2.91Å; R1737-Y1739 VanDerWaalsContact C-N 3.34Å; R1737-Y1739 PolarHBondContact O-N 3.26Å
1740Y54Low48.3Very low155 Ų155129.5 Ų129.561%0.60867%0.674SS**G310 helixtrans-99.71.9174.9-56.1-77.3000112.9R1735 R1737 A1738R1735-Y1740 HydrophobicContact CB-CE2 3.78Å; R1737-Y1740 PolarHBondContact O-N 2.92Å; A1738-Y1740 PolarHBondContact O-N 3.4Å; A1738-Y1740 VanDerWaalsContact O-N 3.17Å
1741L51.4Low47.5Very low140 Ų140133.6 Ų133.673%0.73369%0.687SS**THydrogen-bonded Turntrans-114.7-20.3176.8-63.1172000111.9A1738A1738-L1741 CarbonylContact O-C 3.6Å; A1738-L1741 PolarHBondContact O-N 3.12Å
1742E50.6Low46.8Very low137 Ų137136.1 Ų136.164%0.6470%0.699SS**SBendtrans-67.2130.3166.4-164.4164.7-13200109.4A1738 L1744A1738-E1742 PolarHBondContact O-N 3.35Å; E1742-L1744 PolarHBondContact O-N 3.14Å
1743P44.5Very low46.8Very low117 Ų117135.4 Ų135.476%0.7670%0.702SS**PPolyproline II helixtrans-58.4130.1-179.8-25.534.7000111.6P1745P1743-P1745 WeakPolarHBondContact O-CD 3.45Å
1744L44.8Very low46.2Very low148 Ų148132 Ų13278%0.77571%0.705SS**PPolyproline II helixtrans-58.7126.4176.4-72.9171.8000109.9E1742 L1746E1742-L1744 PolarHBondContact O-N 3.14Å; L1744-L1746 PolarHBondContact O-N 3.39Å
1745P51.7Low45.5Very low122 Ų122130.2 Ų130.279%0.79270%0.702SS**PPolyproline II helixtrans-57.9125.1166.9-21.533000108.9P1743P1743-P1745 WeakPolarHBondContact O-CD 3.45Å
1746L38Very low44.9Very low162 Ų162132.4 Ų132.485%0.84873%0.726SS**PPolyproline II helixtrans-60.7140.2176.7-69.8170.7000109.6L1744L1744-L1746 PolarHBondContact O-N 3.39Å
1747P42.5Very low43.8Very low95 Ų95132.2 Ų132.262%0.61773%0.733SS**PPolyproline II helixtrans-59.5138.7177.1-22.733.7000111.3E1749P1747-E1749 PolarHBondContact O-N 3.36Å
1748P44.2Very low43.1Very low125 Ų125131 Ų13181%0.81274%0.739SS**SBendtrans-77.635.2174.834.8-36.9000112.5
1749E37.7Very low41.8Very low174 Ų174135 Ų13581%0.81375%0.75SS**  trans-134.342.5-179.9-70-168.4126.700111.4P1747P1747-E1749 PolarHBondContact O-N 3.36Å
1750D40.1Very low40Very low162 Ų162137.1 Ų137.187%0.86676%0.764SS**  trans-133.641.7157-93.7-42.6000109.2E1752D1750-E1752 PolarHBondContact O-N 3.28Å
1751E32.8Very low39.1Very low171 Ų171134.6 Ų134.680%0.79977%0.766SS**  trans-86.873.5172.9-167.6173-140.500109.9
1752E36.5Very low37.9Very low183 Ų183133.4 Ų133.486%0.85576%0.757SS**PPolyproline II helixtrans-65.5130.6173.9-164.7169.4-153.500109.7D1750D1750-E1752 PolarHBondContact O-N 3.28Å
1753P40.4Very low37.2Very low113 Ų113137.1 Ų137.173%0.73477%0.771SS**PPolyproline II helixtrans-73136.4-150.324.4-35.2000114.7
1754P37.3Very low36.5Very low121 Ų121135.8 Ų135.879%0.78675%0.753SS**PPolyproline II helixtrans-80.7125.5-174.431.1-35.2000113.2
1755A31.9Very low35.9Very low94 Ų94133.7 Ų133.778%0.77776%0.757SS**  trans-158.3140.7165.100000112.4
1756P37.6Very low34.9Very low130 Ų130132.4 Ų132.484%0.84475%0.749SS**  cis-118.3169.9-33.536.7-23000111.5
1757A29.9Very low34.4Very low92 Ų92133.2 Ų133.276%0.7675%0.748SS**  trans-72143.6177.500000112.7
1758L32Very low34.2Very low152 Ų152134.7 Ų134.780%0.79676%0.758SS**  -176.5136.4119.1-95.8162.2000112
1759L36.2Very low34.2Very low148 Ų148133.9 Ų133.978%0.77575%0.753SS**  trans63107.4153.6-60.6167.4000119.6
1760E27Very low34Very low139 Ų139133 Ų13365%0.6575%0.746SS**  7.9155108.8-87.8-168.4-143.500119.5K1764E1760-K1764 IonicContact OE2-NZ 3.34Å; E1760-K1764 PolarHBondContact OE2-NZ 3.29Å
1761P35.1Very low33.8Very low101 Ų101130.8 Ų130.866%0.65674%0.739SS**  cis-131.8160.525.347.8-33.7000112.8
1762E25.9Very low33.9Very low115 Ų115128 Ų12854%0.53773%0.729SS.*  50.5104.862.1-142.7-154.4139.900114.2K1764E1762-K1764 HydrophobicContact CB-CD 4.35Å; E1762-K1764 HydrophobicContact CB-CG 3.9Å; E1762-K1764 HydrophobicContact CG-CG 3.73Å; E1762-K1764 WeakPolarHBondContact OE1-CG 3.38Å; E1762-K1764 WeakPolarHBondContact OE2-CE 3.35Å; E1762-K1764 IonicContact OE2-NZ 2.63Å; E1762-K1764 PolarHBondContact OE2-NZ 2.77Å
1763K34.5Very low33.9Very low215 Ų215127.3 Ų127.394%0.93572%0.724SS**  trans-10993.4148.2-81.4-167.1170.3-174.60106.3
1764K31.3Very low33.8Very low90 Ų90128 Ų12839%0.39173%0.728SS.*  48116.852.8-67.3-174.1164.578.10112.3E1760 E1762E1760-K1764 IonicContact OE2-NZ 3.34Å; E1760-K1764 PolarHBondContact OE2-NZ 3.29Å; E1762-K1764 HydrophobicContact CB-CD 4.35Å; E1762-K1764 HydrophobicContact CB-CG 3.9Å; E1762-K1764 HydrophobicContact CG-CG 3.73Å; E1762-K1764 WeakPolarHBondContact OE1-CG 3.38Å; E1762-K1764 WeakPolarHBondContact OE2-CE 3.35Å; E1762-K1764 IonicContact OE2-NZ 2.63Å; E1762-K1764 PolarHBondContact OE2-NZ 2.77Å
1765A31.8Very low33.4Very low104 Ų104125.2 Ų125.286%0.8672%0.721SS**  trans-149.864.4132.600000110.7
1766P29.8Very low33.6Very low95 Ų95128.1 Ų128.162%0.61773%0.729SS**  trans-71.1127.2152.532.8-28.7000108.2
1767E27.6Very low33.3Very low179 Ų179126.3 Ų126.384%0.83673%0.726SS**  trans172.8111.6135.7-98.1179.316600109.9
1768P38.9Very low34.1Very low126 Ų126127.4 Ų127.482%0.81873%0.725SS**  trans-74.8153171.531.6-32.9000111
1769P43.6Very low34.5Very low108 Ų108125.6 Ų125.670%0.70172%0.722SS**  trans-127.8-163.2-130.142.4-30000113.1
1770K34.6Very low34.2Very low154 Ų154123 Ų12367%0.6772%0.716SS**  -165124.3121.2-100.9155.9-161.5-177.20113.1Y1814K1770-Y1814 PolarHBondContact NZ-OH 3.22Å
1771T36Very low34.5Very low117 Ų117122.4 Ų122.472%0.71872%0.722SS**  trans37.1135.2144.547.70000120.5
1772D33.8Very low34.3Very low112 Ų112124.4 Ų124.460%0.59972%0.723SS**  cis-156160.317.8-131.5-28.8000113.6
1773K36.5Very low34.5Very low169 Ų169123.3 Ų123.374%0.73572%0.718SS**  trans6.6163.8156.7-66.7153.8-161.8137.20122.5
1774P37.9Very low34.5Very low127 Ų127121.6 Ų121.683%0.82571%0.705SS**  cis-142.2-178.8-3740.9-24000114
1775G30.5Very low34.4Very low62 Ų62124 Ų12464%0.63972%0.716SS**  trans134107.4140.300000121.6
1776T34.4Very low34.4Very low155 Ų155127.6 Ų127.695%0.95171%0.712SS**  trans67.2159.7143.322.60000122.1
1777A31.7Very low34.5Very low93 Ų93132.5 Ų132.577%0.76972%0.724SS**  trans-140.3-147.2-170.100000112.3
1778P47.8Very low34.8Very low114 Ų114128.9 Ų128.974%0.7472%0.718SS**  trans-119-178.1-131.441.2-23.2000116.2
1779P40.4Very low34.5Very low115 Ų115128.7 Ų128.775%0.74772%0.715SS**  -131.8154.2126.122.1-3.5000111.6
1780S29.8Very low33.8Very low92 Ų92132.7 Ų132.764%0.64372%0.721SS**  cis101.5144.518.885.40000116.4
1781T31.9Very low33.6Very low127 Ų127128.6 Ų128.678%0.77972%0.723SS**  trans70.4153.5154.540.80000118.8
1782E31Very low33.3Very low144 Ų144130.5 Ų130.567%0.67372%0.721SS**  cis-156.6156.26.7-136.5-160.7152.900115.3
1783E31.1Very low33.1Very low92 Ų92134.9 Ų134.943%0.4374%0.735SS.*  trans62.4168.4143.1-89.1-169.7133.500122.4K1785E1783-K1785 WeakPolarHBondContact OE1-CE 3.38Å; E1783-K1785 IonicContact OE1-NZ 3.05Å; E1783-K1785 PolarHBondContact OE1-NZ 3.27Å
1784R33.2Very low32.8Very low178 Ų178134.6 Ų134.667%0.67273%0.729SS**  cis-156.6124.313.6-146161.9-147.7172.629.3118
1785K31Very low32.6Very low141 Ų141133.9 Ų133.961%0.61373%0.727SS**  trans56.7171.4138.1-61.6174.9-172.6150.20119.6E1783E1783-K1785 WeakPolarHBondContact OE1-CE 3.38Å; E1783-K1785 IonicContact OE1-NZ 3.05Å; E1783-K1785 PolarHBondContact OE1-NZ 3.27Å
1786K31Very low32.5Very low179 Ų179137.3 Ų137.378%0.77873%0.727SS**  cis-158.1150.510.3-144.3164.6-173.2177.20114.3
1787K31Very low32.8Very low198 Ų198134.8 Ų134.886%0.86171%0.713SS**  trans89.7139.3160.3-65.7-174.7175-179.90117.1
1788S33.7Very low32.7Very low103 Ų103134.4 Ų134.472%0.7271%0.71SS**  cis-145.9144.32.9-176.30000113.3
1789T32.8Very low31.8Very low122 Ų122134.6 Ų134.675%0.74871%0.709SS**  trans-3.8126.3155-10.20000117.4
1790K29.6Very low31.2Very low192 Ų192138.4 Ų138.484%0.83571%0.714SS**  cis79.7114.826.1-157.9176.7-169.9166.50115.2
1791G29.8Very low31.2Very low69 Ų69139.5 Ų139.571%0.71172%0.722SS**  trans-90.5165.2171.400000113.9
1792K30.2Very low31.1Very low157 Ų157142.5 Ų142.568%0.68373%0.727SS**  trans-173.3138.5168.9-130.1-174.3-176.8-1680116
1793K30.9Very low30.9Very low203 Ų203141.7 Ų141.788%0.88373%0.727SS**  trans162.8120134.5-94.5-179.8176.7-172.60107.4
1794R28.7Very low30.9Very low163 Ų163147.5 Ų147.562%0.61575%0.747SS**  cis70.8108.75.9-175176.3167.5-175.4-5.7118.8
1795S34.1Very low30.8Very low112 Ų112142.5 Ų142.578%0.78375%0.751SS**  trans-172.1124.8149.540.40000106.3
1796Q28.4Very low30.9Very low134 Ų134144.5 Ų144.563%0.62677%0.765SS**  cis64152.911.6-113.1-1570.400115.3
1797P40Very low30.8Very low102 Ų102138.8 Ų138.866%0.66276%0.756SS**  cis-142.2178.5-043.9-26.3000117.3
1798A29.5Very low31.3Very low86 Ų86135.6 Ų135.671%0.71176%0.756SS**  trans35.9164137.100000122.7
1799T29.4Very low31.3Very low118 Ų118134.4 Ų134.472%0.72476%0.76SS**  cis-168.6153.53825.80000113.9
1800K28.2Very low31.3Very low194 Ų194139.9 Ų139.984%0.84377%0.767SS**  trans68.8153.3156-65.5170.9176.9-168.50117.1
1801S30Very low31.5Very low115 Ų115136.1 Ų136.180%0.80477%0.765SS**  cis-141.1177.118.2-60.90000113.8
1802E28.8Very low31.6Very low190 Ų190136.4 Ų136.489%0.88877%0.767SS**  trans-100.2164.5167.4-60.5152107.800110.9
1803D28.4Very low32.1Very low128 Ų128134.5 Ų134.568%0.68477%0.771SS**  -176.7162.1117-135.1-30.9000115.2
1804Y30.3Very low32.1Very low213 Ų213134.5 Ų134.584%0.83577%0.767SS**  trans49.8134.7167.6-63-67.5000121
1805G31Very low32.1Very low73 Ų73130.2 Ų130.275%0.75377%0.773SS**  cis-146.7-137-2.700000109.4
1806M32.6Very low31.9Very low184 Ų184131.2 Ų131.291%0.90678%0.775SS**  cis-170.2160.4-24.3-168.355.9162.800105.1
1807G30.3Very low31.9Very low59 Ų59130.4 Ų130.461%0.60878%0.779SS**  cis127.4145.21.100000111
1808P40.6Very low31.5Very low130 Ų130132.3 Ų132.384%0.84479%0.788SS**  cis-136.9171.9-2241.3-24.8000115.1
1809G32.9Very low32.1Very low79 Ų79133.7 Ų133.781%0.81479%0.79SS**  trans-171.2119.5173.900000119.3
1810R34.5Very low32.6Very low237 Ų237132.7 Ų132.789%0.89479%0.785SS**  trans-49145.6174.8-73.7177.1171.1-179.6-3115.7
1811S33Very low32.6Very low113 Ų113130 Ų13079%0.7978%0.78SS**  59.4130.659.181.80000115.3
1812G31.7Very low32.8Very low74 Ų74130.9 Ų130.976%0.76378%0.775SS**  cis-173.1-169.45.200000111.9
1813P41.8Very low33Very low117 Ų117128.2 Ų128.276%0.7677%0.766SS**  trans-117.2163.8-162.541-33.5000117.3
1814Y30.2Very low33.2Very low204 Ų204129.2 Ų129.280%0.877%0.767SS**  trans172.1129.8138.4-95.3-61.3000115K1770K1770-Y1814 PolarHBondContact NZ-OH 3.22Å
1815G28.6Very low33.2Very low72 Ų72126.7 Ų126.774%0.74276%0.762SS**  trans101.7141.6135.700000123.8
1816V30.4Very low33.2Very low134 Ų134127 Ų12781%0.81276%0.758SS**  trans7580.5144.7-161.20000122.3
1817T27.7Very low33Very low116 Ų116125.7 Ų125.771%0.71275%0.754SS**  23.5143.5123.261.60000125.5
1818V31.8Very low33.4Very low143 Ų143128.3 Ų128.387%0.86776%0.761SS**  trans84151.2151.2-73.50000121.9
1819P41.1Very low32.9Very low115 Ų115126.2 Ų126.275%0.74776%0.763SS**  trans-127.8-146.7-146.746.9-28.8000113
1820P40.3Very low32.7Very low96 Ų96127.9 Ų127.962%0.62376%0.762SS**  cis-138.7-175.4-9.942.2-22.5000117.8
1821D29.6Very low32.7Very low137 Ų137125 Ų12573%0.73376%0.762SS**  trans68.8156.4148.6-66.9-12.2000121
1822L33Very low32.4Very low135 Ų135124.1 Ų124.171%0.70776%0.756SS**  cis-164.7169-15.5-111.2170.6000112.1
1823L33Very low32.5Very low133 Ų133128.6 Ų128.670%0.69676%0.757SS**  trans69.2143.3170.7-42.4-173.1000116.3
1824H33.1Very low32.1Very low150 Ų150130 Ų13069%0.69476%0.757SS**  cis-166.7-174.9-6-111.9-2.8000108.3
1825H30.8Very low32.1Very low159 Ų159124.9 Ų124.974%0.73675%0.751SS**  cis-160.7-177.19.7-141.732.4000113.4
1826A30.9Very low32.3Very low80 Ų80132.4 Ų132.466%0.66176%0.759SS**  trans41.310115100000125.1
1827N27.4Very low32.1Very low156 Ų156135 Ų13583%0.83475%0.754SS**  39.3154.5110.6-135.245000122.8
1828P39.1Very low32.1Very low114 Ų114135.8 Ų135.874%0.7475%0.75SS**  cis-126.8164.2-36.536-20.8000114
1829G29.5Very low31.9Very low86 Ų86132.9 Ų132.989%0.88774%0.736SS**  trans173.9170.6170.600000116
1830S29.3Very low31.4Very low115 Ų115132.5 Ų132.580%0.80474%0.736SS**  trans-112.4142.3-175.957.30000113.9
1831I33.5Very low30.5Very low176 Ų176137.1 Ų137.190%0.90375%0.751SS**  trans-167.2172.7143-104.6157.8000109.3
1832S28.7Very low30.3Very low95 Ų95133.4 Ų133.466%0.66475%0.746SS**  trans-132.3179.7-152.3-50.50000115.2
1833H33.8Very low29.8Very low167 Ų167135 Ų13577%0.77375%0.754SS**  trans68.6142.4172.8-77.9-120.2000116.2
1834L32.5Very low29.6Very low146 Ų146138.4 Ų138.476%0.76476%0.759SS**SBendcis-143.8160.5-13.5-85.5128.1000107
1835S30.7Very low29.2Very low97 Ų97136.7 Ų136.768%0.67876%0.759SS**  cis-174.6141.9-30-93.80000108.3
1836Y31.4Very low29.2Very low231 Ų231138.4 Ų138.491%0.90677%0.768SS**  cis-144.2171.8-36.7-162.2-100.6000108.4
1837R27.7Very low29Very low188 Ų188141.4 Ų141.471%0.70977%0.772SS**  trans-126.4162.1-146.5-144.7-162.3172.5-163.811.9115.1
1838Q27.9Very low28.9Very low133 Ų133141.7 Ų141.762%0.62177%0.769SS**  trans70.5111.4145.4-89.8-173.5-7100123.4
1839S26.1Very low28.5Very low82 Ų82141.3 Ų141.357%0.57377%0.767SS**  41.5119109.875.50000123
1840S30.1Very low28.3Very low107 Ų107144.1 Ų144.175%0.74876%0.76SS**  59.3108.2127.167.70000122
1841M23.2Very low28.8Very low192 Ų192144.1 Ų144.195%0.94676%0.758SS**  trans-169.3137.5134.5-111.4-76.9-95.600112.4
1842G24.2Very low28.3Very low60 Ų60140.8 Ų140.862%0.61976%0.756SS**  trans67.5137.2146.400000122.8
1843L23.5Very low28.1Very low167 Ų167140 Ų14087%0.87476%0.763SS**  trans77.2167152.3-60.6164.2000119.3
1844Y28.7Very low27.6Very low206 Ų206135 Ų13581%0.80876%0.758SS**  trans68.978.9178.9-68.7-77.9000119.3
1845T24.8Very low27.5Very low113 Ų113134.5 Ų134.569%0.69376%0.763SS**  16.7121121.859.10000118.3
1846Q30.1Very low27.2Very low195 Ų195139.5 Ų139.591%0.91177%0.767SS**  trans-123.8124.1148.4-164.1170.429.500109.9
1847N27.3Very low26.9Very low143 Ų143134.6 Ų134.677%0.76576%0.761SS**  trans-88.6161.7-177.4-76.2-70000112.5
1848Q25.7Very low26.8Very low162 Ų162131 Ų13176%0.75776%0.756SS**  trans-37.3173.1139.2-80.5-172.15.100114.6
1849P30.4Very low27Very low107 Ų107129.7 Ų129.770%0.69576%0.758SS**  cis-134160.512.714.213000117.8
1850L24.1Very low27Very low144 Ų144137 Ų13775%0.75478%0.775SS**  23.5160.6114.4-67.2170.5000121.6
1851P40.4Very low26.9Very low115 Ų115143.4 Ų143.475%0.74778%0.783SS**  trans-110-171.3-148.243.7-38.8000116.5
1852A23.4Very low27.4Very low106 Ų106140 Ų14088%0.87678%0.775SS**  trans85158.7160.900000118.3
1853G24Very low27.4Very low78 Ų78142.8 Ų142.880%0.80478%0.779SS**  trans103.3138.7174.700000114.5
1854G23.2Very low27.6Very low64 Ų64146.7 Ų146.766%0.6678%0.783SS**  trans-75.9164.9168.500000111.7R1856G1854-R1856 PolarHBondContact O-N 3.04Å
1855P30.8Very low27.5Very low134 Ų134143.8 Ų143.887%0.8778%0.78SS**  trans-67.796.4177.128.9-34000110.1V1857P1855-V1857 PolarHBondContact O-N 3.18Å
1856R23.8Very low27.8Very low203 Ų203143.5 Ų143.577%0.76678%0.781SS**  trans-61131.2163.2-86-162.8176.9-171.3-1.1109.1G1854 D1858G1854-R1856 PolarHBondContact O-N 3.04Å; R1856-D1858 WeakPolarHBondContact CD-OD2 3.27Å; R1856-D1858 IonicContact CZ-OD2 2.67Å; R1856-D1858 IonicContact NE-OD2 2.87Å; R1856-D1858 IonicContact NH1-OD2 3.51Å; R1856-D1858 PolarHBondContact NH1-OD2 3.08Å; R1856-D1858 PolarHBondContact O-N 3.44Å
1857V26.3Very low27.6Very low128 Ų128139.9 Ų139.978%0.77677%0.765SS**  trans-83.493.8158.1-1780000106.6P1855P1855-V1857 PolarHBondContact O-N 3.18Å
1858D26Very low28Very low113 Ų113140.8 Ų140.860%0.60477%0.765SS**  trans-107.5106.3166.6-89.6-45000107.7R1856R1856-D1858 WeakPolarHBondContact CD-OD2 3.27Å; R1856-D1858 IonicContact CZ-OD2 2.67Å; R1856-D1858 IonicContact NE-OD2 2.87Å; R1856-D1858 IonicContact NH1-OD2 3.51Å; R1856-D1858 PolarHBondContact NH1-OD2 3.08Å; R1856-D1858 PolarHBondContact O-N 3.44Å
1859P30.4Very low28.5Very low104 Ų104140.6 Ų140.668%0.67576%0.761SS**  trans-79.6152.5176.232.7-33.9000111.7
1860Y27.2Very low29.2Very low236 Ų236143.4 Ų143.493%0.92577%0.77SS**  trans-5.1117.8166.4-72.5-93.9000117.8
1861R28.5Very low30.6Very low242 Ų242141.1 Ų141.191%0.91376%0.764SS**  trans-113.1127.3148.5-133.6-176-167.4-123.62.4108.8
1862P32.1Very low31Very low121 Ų121140.9 Ų140.979%0.78676%0.76SS**  trans-70.9155.1-178.128.4-34.9000112.4
1863V24.6Very low32.3Very low117 Ų117145.8 Ų145.871%0.70976%0.756SS**  trans-69136.6-174.1174.40000112.3L1865V1863-L1865 HydrophobicContact CG1-CD1 4.04Å; V1863-L1865 HydrophobicContact CG1-CG 3.71Å
1864R28.6Very low32.8Very low249 Ų249148 Ų14894%0.9476%0.756SS**  trans-128.3112.7148.1-98.9-170.4174.6-179.9-1110.6
1865L26.9Very low33.4Very low145 Ų145151.4 Ų151.476%0.75976%0.764SS**  trans-81.2179.8163.4-66158.3000108.7V1863V1863-L1865 HydrophobicContact CG1-CD1 4.04Å; V1863-L1865 HydrophobicContact CG1-CG 3.71Å
1866P30.4Very low33.3Very low108 Ų108155.3 Ų155.370%0.70176%0.763SS**  -134.8-153.5-69.441.9-25000110.6
1867M26.8Very low34Very low118 Ų118150.8 Ų150.858%0.58176%0.76SS**  trans71.8121.8177-48.6-140.293.400114.4K1869M1867-K1869 PolarHBondContact SD-NZ 3Å; M1867-K1869 VanDerWaalsContact SD-NZ 3.43Å
1868Q34.2Very low34.6Very low162 Ų162148.3 Ų148.376%0.75776%0.76SS**  cis69129.946.5-60.5179.7-12.100114.8
1869K37Very low34.7Very low158 Ų158149 Ų14969%0.68777%0.769SS**  trans142.5131.4137.8-76.5155.3-172.4169.60110M1867M1867-K1869 PolarHBondContact SD-NZ 3Å; M1867-K1869 VanDerWaalsContact SD-NZ 3.43Å
1870L45.2Very low34.5Very low167 Ų167150.6 Ų150.687%0.87477%0.77SS**  -163.6164.899.2-110.182.8000108.2
1871P52.8Low34.6Very low96 Ų96141.5 Ų141.562%0.62374%0.74SS**  trans-113.2-171.4-158.125.3-1.1000111.6
1872T48.8Very low34.8Very low110 Ų110136.3 Ų136.368%0.67574%0.735SS**  -177162.855.144.40000109.9
1873R50.5Low34.5Very low209 Ų209136.7 Ų136.779%0.78974%0.736SS**  cis-179.6148.9-16.1-98.6168.3175.1160.1-6.3105
1874P34.2Very low34.6Very low125 Ų125136.5 Ų136.581%0.81273%0.729SS**  cis-121.4111.4-30.834.1-16.7000110.9
1875T36.5Very low34.4Very low134 Ų134128.1 Ų128.182%0.82271%0.705SS**  trans-148.2149.5-159.8-11.20000116.8
1876Y29.7Very low34.2Very low216 Ų216126 Ų12685%0.84770%0.699SS**  trans-98.3178.1163.6-95.2-105.1000109.3
1877P37.8Very low34.2Very low109 Ų109126.1 Ų126.171%0.70870%0.697SS**  -131109.5-58.535-16.3000112.8
1878G38.6Very low34.4Very low75 Ų75128.1 Ų128.177%0.77371%0.707SS**  trans69.7-165.5165.900000116.4
1879V27.6Very low34.6Very low129 Ų129123.5 Ų123.578%0.78270%0.702SS**  trans62.6112-174.3-176.60000114.3
1880L25.6Very low35.1Very low136 Ų136122.9 Ų122.971%0.71271%0.706SS**  trans64.8167.5173.8-57.9168000113.7
1881P29.3Very low34.9Very low45 Ų45122.6 Ų122.629%0.29270%0.7SS.*  -134.9130.4-58.737-24.3000114.2T1883 M1884 T1885P1881-T1883 CarbonylContact O-C 3.45Å; P1881-T1883 WeakPolarHBondContact O-CA 3.37Å; P1881-T1883 PolarHBondContact O-N 3.09Å; P1881-M1884 HydrophobicContact CB-SD 4.4Å; P1881-M1884 HydrophobicContact CG-CE 3.85Å; P1881-M1884 HydrophobicContact CG-SD 3.55Å; P1881-M1884 VanDerWaalsContact CG-SD 3.55Å; P1881-M1884 PolarHBondContact O-N 3.44Å; P1881-T1885 HydrophobicContact CB-CG2 4.48Å; P1881-T1885 VanDerWaalsContact CB-OG1 3.31Å; P1881-T1885 WeakPolarHBondContact CB-OG1 3.36Å
1882T33.5Very low34.1Very low133 Ų133122.2 Ų122.282%0.81670%0.698SS**THydrogen-bonded Turntrans33.8-122.8162.8-37.10000114T1885T1882-T1885 PolarHBondContact OG1-N 3.11Å
1883T25.5Very low33.7Very low129 Ų129119.8 Ų119.879%0.79169%0.685SS**THydrogen-bonded Turn-102105.6106.262.20000106.2P1881P1881-T1883 CarbonylContact O-C 3.45Å; P1881-T1883 WeakPolarHBondContact O-CA 3.37Å; P1881-T1883 PolarHBondContact O-N 3.09Å
1884M27.9Very low32.9Very low114 Ų114115 Ų11556%0.56268%0.684SS**  trans60.9108.6-174.5-62.9-62.4157.700115.9P1881P1881-M1884 HydrophobicContact CB-SD 4.4Å; P1881-M1884 HydrophobicContact CG-CE 3.85Å; P1881-M1884 HydrophobicContact CG-SD 3.55Å; P1881-M1884 VanDerWaalsContact CG-SD 3.55Å; P1881-M1884 PolarHBondContact O-N 3.44Å
1885T24.1Very low33.1Very low73 Ų73117.4 Ų117.445%0.44868%0.678SS.*SBend-49.2132.1124.946.10000107.4P1881 T1882P1881-T1885 HydrophobicContact CB-CG2 4.48Å; P1881-T1885 VanDerWaalsContact CB-OG1 3.31Å; P1881-T1885 WeakPolarHBondContact CB-OG1 3.36Å; T1882-T1885 PolarHBondContact OG1-N 3.11Å
1886T22.8Very low32.9Very low101 Ų101120.1 Ų120.162%0.6268%0.678SS**  trans98.598-151.1-51.30000109.4
1887V28.9Very low33Very low109 Ų109115 Ų11566%0.66167%0.67SS**  cis-149.8130.7294.70000107.1G1889V1887-G1889 PolarHBondContact O-N 3.1Å
1888M31.1Very low32.6Very low160 Ų160115 Ų11579%0.78867%0.672SS**  45.637.966.4-62.4-162.4-55.900112.6L1890M1888-L1890 PolarHBondContact O-N 2.85Å
1889G39.4Very low32.3Very low65 Ų65117 Ų11767%0.6767%0.669SS**  trans-70.742.4167.100000113.6V1887V1887-G1889 PolarHBondContact O-N 3.1Å
1890L46.7Very low32.4Very low146 Ų146120.2 Ų120.276%0.76467%0.668SS**SBendtrans68.7152.5171.1-53.2170.7000113.9M1888M1888-L1890 PolarHBondContact O-N 2.85Å
1891E41.9Very low32.8Very low160 Ų160122.9 Ų122.975%0.74867%0.669SS**  cis-149.2162.3-10.7-106.7-89.4116.800106.6
1892P36.5Very low33.1Very low89 Ų89127.1 Ų127.158%0.57869%0.685SS**  -139.8-132.7-110.244.3-24.4000111.8
1893S40Very low33.1Very low58 Ų58127.9 Ų127.941%0.40668%0.679SS.*  trans85.5118167.7-52.80000115Y1895S1893-Y1895 VanDerWaalsContact CB-CE1 3.42Å; S1893-Y1895 VanDerWaalsContact CB-OH 3.29Å; S1893-Y1895 WeakPolarHBondContact CB-OH 3.49Å; S1893-Y1895 WeakPolarHBondContact OG-CE1 3.34Å; S1893-Y1895 PolarHBondContact OG-OH 3.06Å
1894S33.1Very low33.9Very low108 Ų108130.1 Ų130.176%0.75568%0.681SS**  cis76169.536.6-49.30000114.1
1895Y37.6Very low34.1Very low177 Ų177130.1 Ų130.169%0.69469%0.689SS**  trans56.690.2175.846.2-103000118S1893S1893-Y1895 VanDerWaalsContact CB-CE1 3.42Å; S1893-Y1895 VanDerWaalsContact CB-OH 3.29Å; S1893-Y1895 WeakPolarHBondContact CB-OH 3.49Å; S1893-Y1895 WeakPolarHBondContact OG-CE1 3.34Å; S1893-Y1895 PolarHBondContact OG-OH 3.06Å
1896K33.5Very low34.4Very low191 Ų191131.5 Ų131.583%0.8370%0.698SS**  81.7154.6103.8-84.3176.6177.4178.90119
1897T31Very low34.8Very low109 Ų109131 Ų13167%0.66969%0.694SS**  trans58.386.9142.3-58.70000114.6
1898S29Very low35.1Very low107 Ų107131.3 Ų131.375%0.74870%0.698SS**  70.1167.171-56.30000113.2
1899V32.4Very low35.4Very low117 Ų117131.7 Ų131.771%0.70970%0.698SS**  trans58.982.9151.1173.80000113.5
1900Y31.2Very low35.2Very low197 Ų197131.4 Ų131.477%0.77370%0.695SS**  81.7159.1117.8-91.1-147.8000118.6
1901R33.7Very low34.8Very low192 Ų192132.4 Ų132.473%0.72570%0.696SS**  trans72.1137.3150-84-179.8-177-160.2-1.3113.3
1902Q34.3Very low34.4Very low135 Ų135133.4 Ų133.463%0.63169%0.693SS**  51.7135.478.3-55.8179.5-11.200112.3
1903Q35.4Very low34.1Very low149 Ų149137.3 Ų137.370%0.69671%0.708SS**  cis-109.7179.3-3.1-71.783.730.500111.5
1904Q40.5Very low33.7Very low176 Ų176141.2 Ų141.282%0.82271%0.714SS**  trans-43.8143.2139-63.7161.6-15.500109
1905P32.3Very low33.8Very low113 Ų113141.7 Ų141.773%0.73470%0.704SS**  -112.8117.397.232.2-34000109.1
1906T30.4Very low33.3Very low103 Ų103141.5 Ų141.563%0.63271%0.71SS**  69.8118.1113.961.80000112.8
1907V32.2Very low32.9Very low90 Ų90138.1 Ų138.155%0.54570%0.7SS.*  56.1110.977.4172.20000109.4Q1909V1907-Q1909 HydrophobicContact CG1-CB 4.01Å; V1907-Q1909 HydrophobicContact CG1-CG 3.52Å; V1907-Q1909 VanDerWaalsContact CG1-OE1 3.26Å
1908P34.6Very low32.6Very low115 Ų115141.2 Ų141.275%0.74771%0.707SS**  -78.5141.258.7-25.236.5000115.1G1910P1908-G1910 PolarHBondContact O-N 3.45Å
1909Q37.3Very low32.3Very low169 Ų169140 Ų14079%0.7970%0.703SS**  44.850.953.9-69.7153.5-22.700109V1907V1907-Q1909 HydrophobicContact CG1-CB 4.01Å; V1907-Q1909 HydrophobicContact CG1-CG 3.52Å; V1907-Q1909 VanDerWaalsContact CG1-OE1 3.26Å
1910G35.6Very low32Very low59 Ų59142.9 Ų142.961%0.60871%0.706SS**  86.9-16367.100000107.6P1908P1908-G1910 PolarHBondContact O-N 3.45Å
1911Q37.8Very low31.9Very low167 Ų167139.9 Ų139.978%0.7870%0.702SS**  trans56.1109-177.7-56.2-158.242.100113.5
1912R33.8Very low31.8Very low181 Ų181139.2 Ų139.268%0.68371%0.707SS**  cis-153.2145.424.5-74.7-155.6-179.9175.9-0.1107.3R1914R1912-R1914 VanDerWaalsContact CD-O 3.28Å; R1912-R1914 WeakPolarHBondContact CD-O 3.38Å
1913L30.9Very low31.8Very low170 Ų170137.9 Ų137.989%0.8971%0.713SS**SBendcis35.984.929.4-160.979.7000114.5
1914R31.6Very low31.6Very low141 Ų141139.2 Ų139.253%0.53272%0.719SS.*SBendtrans83115.3162.6-168.6-179.7-178157.68.1117.4R1912R1912-R1914 VanDerWaalsContact CD-O 3.28Å; R1912-R1914 WeakPolarHBondContact CD-O 3.38Å
1915Q35.7Very low31.4Very low118 Ų118133.9 Ų133.955%0.55171%0.712SS**  trans64.8101151.5-67.6172.8-46.300118.3
1916Q25.9Very low31.8Very low172 Ų172136.7 Ų136.780%0.80472%0.717SS**  -165.9150.9114.7-98-166.8-26.500108.1
1917L25.7Very low31.6Very low121 Ų121140 Ų14063%0.63473%0.73SS**  cis-107175.3-28.9-71.2107000106.7
1918Q24.1Very low31.6Very low173 Ų173139.1 Ų139.181%0.80874%0.739SS**  cis56.6151.838.8178.2178.523.300111.7
1919A23.8Very low31.7Very low81 Ų81142.6 Ų142.667%0.66975%0.745SS**  trans61.9145.9178.700000116.7
1920K25.4Very low31Very low178 Ų178139.5 Ų139.577%0.77474%0.742SS**  cis-143.4136.1-21.6-108.5-170.9-179.6179.30106.1
1921I28.7Very low30.5Very low134 Ų134141.9 Ų141.969%0.68775%0.75SS**  64.2147.387.5-59.3-176.7000112.5
1922Q32.2Very low29.9Very low178 Ų178139.8 Ų139.883%0.83275%0.748SS**  trans93.1116.7179.1-54.8-178.5-20.400113
1923S34.9Very low29.5Very low108 Ų108137.9 Ų137.976%0.75575%0.746SS**SBendcis-91.8151.8-12.551.70000110.6
1924Q30.6Very low29.4Very low177 Ų177139 Ų13983%0.82775%0.747SS**  63.2125.551.7-75.3-179.5-42.600113.7
1925G35.6Very low29.1Very low64 Ų64138.3 Ų138.366%0.6675%0.751SS**  cis179.3-155.2-0.500000113.9
1926M40.7Very low28.6Very low172 Ų172138.7 Ų138.785%0.84776%0.762SS**  trans61.889.3173.6-43.6-43.6-74.800113
1927L26.4Very low28.9Very low173 Ų173135.4 Ų135.491%0.90676%0.756SS**  cis53.5105.944.5-94.8174.4000112.3
1928G33Very low29Very low71 Ų71134.5 Ų134.573%0.73276%0.759SS**  trans-155.1133.5174.300000109.4
1929Q35.5Very low29.4Very low187 Ų187131.5 Ų131.587%0.87476%0.757SS**  trans-52.4138.3-173.3-64.6146.2-23.600112
1930S24.2Very low29.8Very low104 Ų104133 Ų13373%0.72776%0.763SS**  cis65.4137.444.7-51.50000114.1
1931S24.9Very low29.9Very low110 Ų110136.2 Ų136.277%0.76977%0.772SS**  trans84.1108.3161.2-50.60000120.7
1932V24.7Very low29.9Very low122 Ų122133.6 Ų133.674%0.73978%0.778SS**  70.5118.1118.9179.60000121.2
1933H25.7Very low29.5Very low142 Ų142133 Ų13366%0.65778%0.78SS**  trans60.6116.6151.6-64.8-34000123.2M1935H1933-M1935 HydrophobicContact CB-CG 4.47Å; H1933-M1935 HydrophobicContact CB-SD 4.5Å
1934Q29.1Very low29.1Very low192 Ų192136.6 Ų136.690%0.89779%0.785SS**  -136.1135111.1-96173.24.900106.1
1935M24.9Very low28.9Very low128 Ų128133.3 Ų133.363%0.63178%0.782SS**  cis65.6133.224.9-66.1-171.4173.100112.9H1933H1933-M1935 HydrophobicContact CB-CG 4.47Å; H1933-M1935 HydrophobicContact CB-SD 4.5Å
1936T24.5Very low28.3Very low125 Ų125135.2 Ų135.277%0.76779%0.785SS**  cis-163-172.917.81.30000107.8
1937P31.9Very low27.7Very low104 Ų104136.2 Ų136.268%0.67579%0.787SS**  cis-133.2-175.1-3.333.6-11.4000116
1938S29.1Very low27.6Very low102 Ų102131.6 Ų131.671%0.71378%0.781SS**  trans57.7131.1148.352.80000120.3
1939S32.7Very low27.2Very low109 Ų109138.6 Ų138.676%0.76279%0.787SS**  cis-157.3-167.8-3.4-76.60000107.2
1940S30.9Very low26.7Very low114 Ų114135.6 Ų135.680%0.79778%0.781SS**  cis-155.2178.816.3-53.60000110.9
1941Y27.3Very low26.6Very low244 Ų244135.3 Ų135.396%0.95778%0.78SS**  trans-98.5159.4166.9-84.3-106.7000112.3
1942G28.2Very low26.8Very low79 Ų79140 Ų14081%0.81478%0.782SS**  trans-177.6112167.100000112.8
1943L24.2Very low26.9Very low165 Ų165139.7 Ų139.786%0.86478%0.78SS**  trans-160.4115.4-173.8-160.8162.5000110.3
1944Q26.4Very low26.9Very low184 Ų184137.7 Ų137.786%0.8678%0.782SS**  trans-177.9165.7153.6-108.71701100116.1
1945S27Very low26.7Very low109 Ų109136.7 Ų136.776%0.76278%0.777SS**  trans60.793.3157.659.80000122.1
1946S23.7Very low26.7Very low104 Ų104137 Ų13773%0.72779%0.786SS**  52.9122.7106.4-160.20000123
1947Q26.6Very low26.7Very low193 Ų193133.9 Ų133.990%0.90278%0.779SS**  trans29.3123.9139.8-56.5-175.1-600121.4
1948G24.7Very low26.5Very low75 Ų75136 Ų13677%0.77378%0.784SS**  trans173.9110.4158.300000116
1949Y25.4Very low26.3Very low219 Ų219137.8 Ų137.886%0.85978%0.781SS**  trans29.2130.6155.2-78.3-99.6000123.6
1950T23.8Very low26.1Very low123 Ų123140.8 Ų140.876%0.75578%0.783SS**  trans61.7112.4144.152.80000123.2
1951S23Very low25.8Very low99 Ų99143.1 Ų143.169%0.69278%0.781SS**  76.6160.1126.9-149.60000121.7
1952Y29.9Very low26Very low207 Ų207138.2 Ų138.281%0.81278%0.776SS**  trans63.4142.4178.9-65.5-90.3000117.1
1953V25.6Very low26.1Very low117 Ų117137.9 Ų137.971%0.70977%0.773SS**  cis129.7156.8-3.5158.70000110.5
1954S26.8Very low26.6Very low99 Ų99136 Ų13669%0.69277%0.771SS**  trans78.1133.6174.2-73.30000116.2
1955H25.1Very low26.9Very low172 Ų172132.2 Ų132.280%0.79677%0.771SS**  cis99.1122.938.6-90.1-84.7000112.6
1956V24.5Very low27.3Very low133 Ų133130.5 Ų130.581%0.80677%0.77SS**  trans57.2114.2149.2-174.80000119.4
1957G24.8Very low27.7Very low61 Ų61131.3 Ų131.363%0.62977%0.771SS**  110.8158.9123.300000119
1958L27.7Very low27.8Very low148 Ų148130.2 Ų130.278%0.77577%0.768SS**  trans61.3136.5170.3-62.9111.6000116.7
1959Q24.8Very low28.2Very low140 Ų140133.2 Ų133.265%0.65477%0.771SS**  cis73.699.122.8-165.3-167.3-3.100115.6H1961Q1959-H1961 PolarHBondContact NE2-NE2 3.04Å
1960Q27.6Very low28.7Very low172 Ų172128.2 Ų128.280%0.80477%0.765SS**  trans-179.1156.1144.6-99.5168.558.300109.5
1961H25.9Very low29.3Very low163 Ų163127.4 Ų127.476%0.75576%0.762SS**  cis-171.4167.1-40.3-123.4-72.7000109.4Q1959Q1959-H1961 PolarHBondContact NE2-NE2 3.04Å
1962T30.8Very low29.5Very low141 Ų141127.5 Ų127.587%0.86576%0.763SS**  trans63.3139.5176.171.70000116.6
1963G30.1Very low29.4Very low72 Ų72128.2 Ų128.274%0.74277%0.765SS**  cis160.9178.9-7.300000109.9
1964P34Very low29.3Very low126 Ų126127.1 Ų127.182%0.81876%0.763SS**  cis-128.5-179.9-22.441-25.7000113.6
1965A33.6Very low29.2Very low104 Ų104127.5 Ų127.586%0.8677%0.766SS**  trans58.7113.8167.900000117.9
1966G34.3Very low29.3Very low72 Ų72127.3 Ų127.374%0.74277%0.765SS**  cis-169.2-137.91.600000109.4
1967T33.2Very low29.7Very low122 Ų122125.4 Ų125.475%0.74876%0.756SS**  cis-168.6123.1-3.5-76.80000106
1968M29Very low29.7Very low169 Ų169132.8 Ų132.883%0.83377%0.766SS**  cis-143.7126.7-16.6-83.1178.9-64.600107.8
1969V33.5Very low29.5Very low138 Ų138134 Ų13484%0.83677%0.768SS**  trans-171176.5-173.6-104.90000108.2
1970P35.4Very low29.4Very low115 Ų115132.2 Ų132.275%0.74777%0.771SS**  cis-119-92.4-0.3187.3000118.6
1971P36.3Very low29.5Very low105 Ų105129.6 Ų129.668%0.68277%0.767SS**  trans-140165.6-132.844.6-25000120.4
1972S27.3Very low29.5Very low102 Ų102130.4 Ų130.471%0.71377%0.771SS**  trans19.8127.6142.2-48.40000123.2
1973Y26.3Very low29.5Very low221 Ų221129 Ų12987%0.86776%0.764SS**  -176.416099-113.4-88.7000114.8
1974S25.3Very low29.2Very low95 Ų95130.3 Ų130.366%0.66476%0.762SS**  trans53.190.8157.258.30000124.1
1975S24Very low29.4Very low106 Ų106131.2 Ų131.274%0.74177%0.765SS**  49149113.167.90000125.9
1976Q26.5Very low29Very low168 Ų168133.6 Ų133.679%0.78576%0.763SS**  trans94.8166.3160.4-57.8-94.513.900116.2
1977P32.6Very low28.9Very low94 Ų94135 Ų13561%0.6176%0.759SS**  -145.2175.7-73.543.5-25.5000118.7
1978Y24.7Very low28.6Very low215 Ų215134.1 Ų134.184%0.84375%0.754SS**  trans74.5141.4142.4-95.1-57.7000125.7
1979Q24Very low28.5Very low174 Ų174133 Ų13381%0.81375%0.751SS**  trans85.896.7145.2-78.4-166.3000123.5
1980S23.3Very low28.2Very low103 Ų103131.7 Ų131.772%0.7274%0.743SS**  115.8157.5106.9-147.50000120.5
1981T28.9Very low28Very low117 Ų117133 Ų13372%0.71874%0.743SS**  trans61.1101.4168.8410000120.5
1982H26.4Very low27.9Very low180 Ų180132.2 Ų132.283%0.83374%0.738SS**  17.3149.4120.4-57-64.4000120.1
1983P31Very low28Very low111 Ų111132.2 Ų132.272%0.72173%0.734SS**  cis-143.617734.443.3-24.6000118.4
1984S24.7Very low28.2Very low100 Ų100133.6 Ų133.670%0.69974%0.738SS**  trans28.9104.8148.861.90000120.5
1985T36.8Very low28.3Very low145 Ų145136.7 Ų136.789%0.8974%0.741SS**  -149.3107.2105.127.10000110.7
1986N26.3Very low28.3Very low153 Ų153138.6 Ų138.682%0.81874%0.742SS**  trans-63.1164.3142.6-100.5-15.9000108.6
1987P31.6Very low28.2Very low101 Ų101138.2 Ų138.266%0.65674%0.741SS**  cis-134.9-177.52240.5-22.2000115.3
1988T26.9Very low27.9Very low104 Ų104141 Ų14164%0.63875%0.745SS**  trans39140.2142.856.60000120.3
1989L26.7Very low27.9Very low147 Ų147141.4 Ų141.477%0.7775%0.745SS**  46.6144.371.8-67.9102.3000112.5
1990V27.3Very low28.1Very low110 Ų110138.1 Ų138.167%0.66774%0.739SS**  cis-137.2158.939.4-155.30000106.3P1992V1990-P1992 HydrophobicContact CG1-CB 4.08Å; V1990-P1992 HydrophobicContact CG1-CG 4.32Å
1991D31.3Very low28.2Very low142 Ų142139.3 Ų139.376%0.75975%0.747SS**  45.1167.959.4-116.2-8.1000111.7
1992P33.5Very low28.1Very low88 Ų88136.6 Ų136.657%0.57174%0.742SS**  cis-149-16629.437.8-13.2000116.3V1990V1990-P1992 HydrophobicContact CG1-CB 4.08Å; V1990-P1992 HydrophobicContact CG1-CG 4.32Å
1993T29.2Very low28.1Very low102 Ų102139 Ų13963%0.62675%0.746SS**SBendtrans70.6128.5158.462.70000118.6H1995T1993-H1995 WeakPolarHBondContact CA-O 3.37Å
1994R31.8Very low27.8Very low251 Ų251139.2 Ų139.295%0.94775%0.745SS**SBendcis-81.9136.5-13.3-66175.7-179.7163.80.7107.5
1995H26.4Very low27.9Very low160 Ų160141.7 Ų141.774%0.74175%0.745SS**SBendcis-71167.634.8-90.5-127.4000119.5T1993T1993-H1995 WeakPolarHBondContact CA-O 3.37Å
1996L25.5Very low27.3Very low145 Ų145142.4 Ų142.476%0.75974%0.738SS**  trans59.3112.7159.5-9673000120.4
1997Q23.2Very low27.2Very low161 Ų161144.2 Ų144.275%0.75274%0.742SS**  trans-156.9122.4150.2-173.1-177.61.400105.5
1998Q27.6Very low26.7Very low151 Ų151143.8 Ų143.871%0.70675%0.747SS**  cis-130.8156.6-6.9-91143.4-5.900106.7
1999R23Very low27.1Very low225 Ų225144 Ų14485%0.84975%0.75SS**  64.8136.952.6-154.3-161.4-171.1-167.85113.1
2000P28.1Very low26.9Very low105 Ų105142.1 Ų142.168%0.68275%0.745SS**  -113.3-165.6-53.940-25.5000110.8
2001S26.5Very low26.9Very low127 Ų127147.3 Ų147.389%0.88875%0.754SS**  trans68.3147.2-178.4-53.80000114.6
2002G26.7Very low26.7Very low60 Ų60144 Ų14462%0.61975%0.753SS**  cis161.8151.4-7.800000110.3
2003Y26Very low26.5Very low232 Ų232148.2 Ų148.291%0.9176%0.764SS**  trans60.9152.4179.2-74.6-106000114.6
2004V24.5Very low26.6Very low114 Ų114146 Ų14669%0.69176%0.762SS**  cis-176.4154.4-19.6125.10000105.1
2005H26.3Very low26.4Very low152 Ų152142 Ų14270%0.70476%0.759SS**  trans47.9112164-91.540000122.8
2006Q25Very low26.6Very low161 Ų161140.5 Ų140.575%0.75276%0.761SS**  24.1122.8104.8-175.7-171.49600119.7
2007Q24.4Very low27Very low190 Ų190138.5 Ų138.589%0.88876%0.759SS**  trans-170.1-174.8133.6-108.8176.721.900112.4
2008A20.7Very low27.2Very low93 Ų93135.8 Ų135.877%0.76975%0.753SS**  trans-116.9-135.2-164.500000115.1
2009P35Very low27.1Very low107 Ų107135.6 Ų135.670%0.69575%0.753SS**  -133.4-176.9-105.241.3-23.9000118.7
2010T23.1Very low27.2Very low108 Ų108135.3 Ų135.366%0.66375%0.752SS**  trans75.5126.4149.140.20000123.9
2011Y27.4Very low27Very low220 Ų220139.3 Ų139.386%0.86376%0.759SS**  trans48.5158.3147.7-60.4-65.4000121
2012G27.1Very low27Very low71 Ų71138 Ų13873%0.73275%0.75SS**  cis163.5170.7-0.600000108.9
2013H28.5Very low27Very low177 Ų177143.7 Ų143.782%0.81976%0.76SS**  cis-156.7176.4-9.3-161.5-87.6000108.5
2014G31.3Very low26.9Very low56 Ų56140.4 Ų140.458%0.57775%0.752SS**  trans-147.5166.3176.400000116
2015L29.1Very low26.8Very low167 Ų167140.6 Ų140.687%0.87475%0.754SS**  trans-158.1169.2178.6-78.3178.9000108.2
2016T30.6Very low26.8Very low129 Ų129140.6 Ų140.679%0.79176%0.759SS**  cis-114.6-143.7250.10000108.9
2017S32.1Very low26.8Very low103 Ų103140.1 Ų140.172%0.7276%0.756SS**  cis-168156.1-5.3163.90000106.9
2018T27.9Very low26.9Very low103 Ų103138.6 Ų138.663%0.63275%0.749SS**  cis-167.1157.1-28.8-61.60000106.5
2019Q25.7Very low27.1Very low147 Ų147139 Ų13969%0.68774%0.742SS**  trans72147.1-178.6-43.1-66.1-1.800114.7
2020R25Very low27.1Very low219 Ų219140 Ų14083%0.82675%0.749SS**  cis-159.1-171.6-24.8-124.4-179.9-154-152.71.7110.1
2021F24.8Very low27.5Very low190 Ų190142.8 Ų142.883%0.83376%0.756SS**  trans-59.7143.3-173.6-82.4-97.1000118.6
2022S26.1Very low27.5Very low100 Ų100141.6 Ų141.670%0.69976%0.761SS**  trans68.1163.9134.277.20000123.6
2023H26.7Very low27.5Very low179 Ų179141.9 Ų141.983%0.82976%0.764SS**  trans82.6165.6172.7-85-88.5000120.8
2024Q23.6Very low27.6Very low162 Ų162139.9 Ų139.976%0.75776%0.764SS**  trans-92.9159.4-152.3-69.8177.7-2500115.3
2025T23.5Very low27.6Very low119 Ų119144.3 Ų144.373%0.7377%0.772SS**  trans62.2132.1142.948.50000121.2
2026L24.7Very low28Very low152 Ų152142.3 Ų142.380%0.79677%0.767SS**  trans46.7136.2138-108.869.5000118.5
2027Q24.6Very low28.1Very low151 Ų151141.4 Ų141.471%0.70676%0.763SS**  cis-176.6162.237.3-158-179.453.100105.6
2028Q26.9Very low27.8Very low157 Ų157143.7 Ų143.773%0.73477%0.766SS**  171.7132.892.7-89.2-163.44.400112.6
2029T25.4Very low27.8Very low101 Ų101144.3 Ų144.362%0.6278%0.775SS**  trans39.7143.4137.8180000122.2
2030P34.8Very low28.1Very low128 Ų128141.3 Ų141.383%0.83178%0.776SS**  -125.6146.158.538.4-28.1000117.8
2031M32.7Very low28.3Very low167 Ų167140.2 Ų140.282%0.82378%0.78SS**  trans14.5152.2155.8-60.1-56.4178.700123.9
2032M26.7Very low28.8Very low195 Ų195134.5 Ų134.596%0.96178%0.775SS**  trans-61.4150.7179.5-53.8171-17500114.4
2033G27.6Very low29Very low78 Ų78136.1 Ų136.180%0.80478%0.78SS**  trans-165.898.716500000112.1
2034T29.2Very low29.1Very low134 Ų134136 Ų13682%0.82278%0.78SS**  trans-74.3165.8166.744.40000110.8
2035M31.5Very low29.4Very low149 Ų149133.4 Ų133.473%0.73479%0.786SS**  -173.1114.2122.7-82.9-121.4-178.500111
2036T38.3Very low29.7Very low125 Ų125131 Ų13177%0.76779%0.785SS**SBend-69.3145.6123.443.40000107.1
2037P32.6Very low29.9Very low110 Ų110130.3 Ų130.371%0.71479%0.787SS**SBendtrans-62.3142.1-177.825.3-33.9000112
2038L26.3Very low30.1Very low151 Ų151134.1 Ų134.179%0.79180%0.795SS**SBendtrans89.7133.3170.8-54.3163.4000118.2
2039S27.7Very low30Very low116 Ų116131.4 Ų131.481%0.81179%0.793SS**  trans67.683.8168.4420000121.2
2040A31.1Very low30.1Very low85 Ų85132.9 Ų132.970%0.70280%0.802SS**  24.8157.3112.200000123.1
2041Q30.4Very low29.6Very low195 Ų195131.8 Ų131.891%0.91180%0.798SS**  cis-178.1135.9-21.4-173.4167.69.900111.6
2042G34.2Very low29.4Very low71 Ų71130.8 Ų130.873%0.73279%0.794SS**  trans91167.9161.600000119.7
2043V31Very low29.6Very low134 Ų134129.1 Ų129.181%0.81279%0.788SS**  cis-166.8139-39.9116.70000113.7
2044Q27.8Very low30.2Very low177 Ų177130.5 Ų130.583%0.82778%0.783SS**  trans64.3138.1158.7-71.7-1769.200126.4
2045A30.4Very low30.3Very low106 Ų106132.6 Ų132.688%0.87678%0.784SS**  trans58.8147.214900000122.3
2046G30.6Very low30.5Very low69 Ų69135.2 Ų135.271%0.71179%0.794SS**  cis168.9147.6-12.100000115.6
2047V28.5Very low30.3Very low137 Ų137138.2 Ų138.283%0.8380%0.799SS**  trans81.3115.4160.1-170.40000121.2
2048R28Very low30.8Very low231 Ų231141.5 Ų141.587%0.87281%0.805SS**  trans66.2112.9150.6-75.2178.5178.1179.70.4124.4
2049S26Very low31.7Very low101 Ų101143.4 Ų143.471%0.70681%0.81SS**  70123.6129.761.30000124.9
2050T26.7Very low32.8Very low131 Ų131146.4 Ų146.480%0.80481%0.811SS**  trans77.1115.3142.743.10000123.4
2051S25.2Very low33.8Very low106 Ų106149.9 Ų149.974%0.74181%0.813SS**  trans104123.2136.277.60000122.3
2052I26.8Very low34.9Very low146 Ų146148.4 Ų148.475%0.74981%0.806SS**  trans81.2113.4141-67.3164.2000121.7
2053L30.9Very low35.8Very low159 Ų159152.6 Ų152.683%0.83281%0.806SS**  trans57.4160.8150.9-97.166.2000121.3
2054P42.3Very low36.9Very low107 Ų107153.1 Ų153.170%0.69580%0.8SS**  cis-130.5-174.7-1941.2-25000114.8
2055E30.5Very low38.3Very low179 Ų179151.6 Ų151.684%0.83679%0.793SS**  trans69.284.1147.8-153.6170.3145.800122
2056Q35.3Very low39.7Very low203 Ų203153.5 Ų153.595%0.94978%0.784SS**  trans-149.467.2133-162.7176.387.600110.6
2057Q34Very low41.3Very low189 Ų189157 Ų15788%0.88378%0.781SS**  trans-115.167.1-163.3-165.4-176.912.400113.3
2058Q43Very low43Very low179 Ų179156.8 Ų156.884%0.83677%0.772SS**SBendtrans-142.8-22.6175.2-133.117622.900117.8
2059Q46.4Very low44.8Very low191 Ų191152.9 Ų152.989%0.89376%0.763SS**SBendtrans-90.3-16.8-175.8-116.1177.14.400115.7
2060Q49.7Very low46.7Very low178 Ų178155 Ų15583%0.83276%0.762SS**SBendtrans-82.6-12.4-177.6-151.8172.143.100114
2061Q52.2Low48.7Very low158 Ų158155.1 Ų155.174%0.73875%0.753SS**Hα-helixtrans-80.8-25.9-172.1-159.6169.541.700113.8
2062Q52.8Low50.7Low164 Ų164156.7 Ų156.777%0.76675%0.749SS**Hα-helixtrans-78-35.8-175.6-156.8171.138.500112.9Q2065 Q2066Q2062-Q2065 PolarHBondContact O-N 3.04Å; Q2062-Q2066 PolarHBondContact O-N 2.91Å
2063Q52.8Low52.7Low159 Ų159156.7 Ų156.774%0.74375%0.746SS**Hα-helixtrans-72-33.8-178.5-154.8172.947.100112.4Q2066 Q2067Q2063-Q2066 PolarHBondContact O-N 3.39Å; Q2063-Q2067 PolarHBondContact O-N 2.83Å
2064Q55.9Low54.5Low145 Ų145155.9 Ų155.968%0.67874%0.738SS**Hα-helixtrans-70.5-30.7177.8-164.2171.17700112.5Q2068Q2064-Q2068 PolarHBondContact O-N 3.22Å
2065Q55.8Low55.7Low146 Ų146157 Ų15768%0.68273%0.733SS**Hα-helixtrans-70.8-36.7177.4-165.3170.36600112.3Q2062 Q2068 Q2069Q2062-Q2065 PolarHBondContact O-N 3.04Å; Q2065-Q2068 PolarHBondContact O-N 3.22Å; Q2065-Q2069 PolarHBondContact O-N 2.65Å; Q2065-Q2069 VanDerWaalsContact O-N 3.15Å
2066Q60.1Low57.3Low146 Ų146155.4 Ų155.468%0.68273%0.726SS**Hα-helixtrans-69.3-40177.1-163172.755.800112.1Q2062 Q2063 Q2068 Q2069 Q2070Q2062-Q2066 PolarHBondContact O-N 2.91Å; Q2063-Q2066 PolarHBondContact O-N 3.39Å; Q2066-Q2068 VanDerWaalsContact C-N 3.34Å; Q2066-Q2068 PolarHBondContact O-N 2.86Å; Q2066-Q2069 PolarHBondContact O-N 3.37Å; Q2066-Q2070 PolarHBondContact O-N 2.68Å; Q2066-Q2070 VanDerWaalsContact O-N 3.12Å
2067Q63.8Low58.8Low141 Ų141152.5 Ų152.566%0.65971%0.713SS**Hα-helixtrans-64.6-37.4175.8-165.7173.766.500112.2Q2063 Q2070 Q2071Q2063-Q2067 PolarHBondContact O-N 2.83Å; Q2067-Q2070 PolarHBondContact O-N 3.27Å; Q2067-Q2071 PolarHBondContact O-N 3.46Å; Q2067-Q2071 VanDerWaalsContact O-N 3.12Å
2068Q64Low60.4Low134 Ų134149.9 Ų149.963%0.62670%0.7SS**Hα-helixtrans-67.8-34.8175.8-168.8169.792.700112.7Q2064 Q2065 Q2066 Q2072Q2064-Q2068 PolarHBondContact O-N 3.22Å; Q2065-Q2068 PolarHBondContact O-N 3.22Å; Q2066-Q2068 VanDerWaalsContact C-N 3.34Å; Q2066-Q2068 PolarHBondContact O-N 2.86Å; Q2068-Q2072 WeakPolarHBondContact O-CB 3.46Å; Q2068-Q2072 PolarHBondContact O-N 2.59Å; Q2068-Q2072 VanDerWaalsContact O-N 3.12Å
2069Q65.9Low61.4Low149 Ų149147 Ų14770%0.69669%0.687SS**Hα-helixtrans-69.6-40.3176.3-166.1171.965.900112.2Q2065 Q2066 Q2072 Q2073Q2065-Q2069 PolarHBondContact O-N 2.65Å; Q2065-Q2069 VanDerWaalsContact O-N 3.15Å; Q2066-Q2069 PolarHBondContact O-N 3.37Å; Q2069-Q2072 PolarHBondContact O-N 3.28Å; Q2069-Q2073 PolarHBondContact O-N 2.88Å; Q2069-Q2073 VanDerWaalsContact O-N 3.1Å
2070Q66.3Low62.3Low146 Ų146144.3 Ų144.368%0.68267%0.674SS**Hα-helixtrans-65.6-40.9176.4-166174.362.300112Q2066 Q2067 Q2072 Q2073 Q2074Q2066-Q2070 PolarHBondContact O-N 2.68Å; Q2066-Q2070 VanDerWaalsContact O-N 3.12Å; Q2067-Q2070 PolarHBondContact O-N 3.27Å; Q2070-Q2072 VanDerWaalsContact C-N 3.32Å; Q2070-Q2072 PolarHBondContact O-N 2.91Å; Q2070-Q2073 PolarHBondContact O-N 3.37Å; Q2070-Q2074 PolarHBondContact O-N 3.3Å
2071Q68.3Low63.1Low133 Ų133142.3 Ų142.362%0.62167%0.665SS**Hα-helixtrans-64.4-35.7175.5-167.7173.884.800112.3Q2067 Q2075Q2067-Q2071 PolarHBondContact O-N 3.46Å; Q2067-Q2071 VanDerWaalsContact O-N 3.12Å; Q2071-Q2075 WeakPolarHBondContact O-CB 3.38Å; Q2071-Q2075 PolarHBondContact O-N 3.45Å; Q2071-Q2075 VanDerWaalsContact O-N 3.09Å
2072Q67Low63.5Low138 Ų138140.5 Ų140.565%0.64566%0.657SS**Hα-helixtrans-69.1-36.2176-167.2170.3101.700112.5Q2068 Q2069 Q2070 Q2076Q2068-Q2072 WeakPolarHBondContact O-CB 3.46Å; Q2068-Q2072 PolarHBondContact O-N 2.59Å; Q2068-Q2072 VanDerWaalsContact O-N 3.12Å; Q2069-Q2072 PolarHBondContact O-N 3.28Å; Q2070-Q2072 VanDerWaalsContact C-N 3.32Å; Q2070-Q2072 PolarHBondContact O-N 2.91Å; Q2072-Q2076 PolarHBondContact O-N 3.28Å; Q2072-Q2076 VanDerWaalsContact O-N 3.15Å
2073Q69.2Low63.9Low146 Ų146138.7 Ų138.768%0.68265%0.648SS**Hα-helixtrans-69-41.7175.8-165.6173.26600112Q2069 Q2070 Q2075 Q2076 Q2077Q2069-Q2073 PolarHBondContact O-N 2.88Å; Q2069-Q2073 VanDerWaalsContact O-N 3.1Å; Q2070-Q2073 PolarHBondContact O-N 3.37Å; Q2073-Q2075 PolarHBondContact O-N 2.92Å; Q2073-Q2076 PolarHBondContact O-N 2.88Å; Q2073-Q2077 PolarHBondContact O-N 3.21Å; Q2073-Q2077 VanDerWaalsContact O-N 3.09Å
2074Q69.4Low64.4Low143 Ų143137.5 Ų137.567%0.66864%0.643SS**Hα-helixtrans-63.4-40176.1-165.8174.967.500112Q2070 Q2076 Q2077 Q2078Q2070-Q2074 PolarHBondContact O-N 3.3Å; Q2074-Q2076 VanDerWaalsContact C-N 3.3Å; Q2074-Q2076 PolarHBondContact O-N 3.06Å; Q2074-Q2077 PolarHBondContact O-N 3.1Å; Q2074-Q2078 PolarHBondContact O-N 3.42Å; Q2074-Q2078 VanDerWaalsContact O-N 3.08Å
2075Q66.3Low64.7Low129 Ų129137.2 Ų137.260%0.60364%0.641SS**Hα-helixtrans-66.1-30.8175.1-167174.1100.600112.8Q2071 Q2073 Q2079Q2071-Q2075 WeakPolarHBondContact O-CB 3.38Å; Q2071-Q2075 PolarHBondContact O-N 3.45Å; Q2071-Q2075 VanDerWaalsContact O-N 3.09Å; Q2073-Q2075 PolarHBondContact O-N 2.92Å; Q2075-Q2079 PolarHBondContact O-N 2.83Å
2076Q65.3Low64.8Low146 Ų146136.3 Ų136.368%0.68264%0.637SS**Hα-helixtrans-71.8-39175.3-163.4171.888.200111.9Q2072 Q2073 Q2074 Q2079 Q2080Q2072-Q2076 PolarHBondContact O-N 3.28Å; Q2072-Q2076 VanDerWaalsContact O-N 3.15Å; Q2073-Q2076 PolarHBondContact O-N 2.88Å; Q2074-Q2076 VanDerWaalsContact C-N 3.3Å; Q2074-Q2076 PolarHBondContact O-N 3.06Å; Q2076-Q2079 PolarHBondContact O-N 2.74Å; Q2076-Q2080 PolarHBondContact O-N 3.23Å; Q2076-Q2080 VanDerWaalsContact O-N 3.13Å
2077Q66.8Low64.8Low143 Ų143136 Ų13667%0.66864%0.636SS**Hα-helixtrans-66.2-42.1176.5-152.7175.744.800111.8Q2073 Q2074 Q2079 Q2080 Q2081Q2073-Q2077 PolarHBondContact O-N 3.21Å; Q2073-Q2077 VanDerWaalsContact O-N 3.09Å; Q2074-Q2077 PolarHBondContact O-N 3.1Å; Q2077-Q2079 VanDerWaalsContact C-N 3.31Å; Q2077-Q2079 PolarHBondContact O-N 2.86Å; Q2077-Q2080 WeakPolarHBondContact O-CB 3.26Å; Q2077-Q2080 PolarHBondContact O-N 3.27Å; Q2077-Q2080 VanDerWaalsContact O-N 3.12Å; Q2077-Q2081 PolarHBondContact O-N 3.36Å
2078Q67.1Low64.8Low133 Ų133137.4 Ų137.462%0.62164%0.636SS**Hα-helixtrans-63.5-34.9175.8-161.8176.366.200112.3Q2074 Q2080 Q2081 Q2082Q2074-Q2078 PolarHBondContact O-N 3.42Å; Q2074-Q2078 VanDerWaalsContact O-N 3.08Å; Q2078-Q2080 VanDerWaalsContact C-N 3.34Å; Q2078-Q2081 PolarHBondContact O-N 3.47Å; Q2078-Q2082 PolarHBondContact O-N 3.17Å; Q2078-Q2082 VanDerWaalsContact O-N 3.14Å
2079Q63.4Low64.7Low119 Ų119137.7 Ų137.756%0.55664%0.637SS**Hα-helixtrans-70.1-29.5174.5-163.9168.8120.800112.9Q2075 Q2076 Q2077 Q2083Q2075-Q2079 PolarHBondContact O-N 2.83Å; Q2076-Q2079 PolarHBondContact O-N 2.74Å; Q2077-Q2079 VanDerWaalsContact C-N 3.31Å; Q2077-Q2079 PolarHBondContact O-N 2.86Å; Q2079-Q2083 PolarHBondContact O-N 3.32Å
2080Q65.6Low64.6Low134 Ų134135.2 Ų135.263%0.62663%0.628SS**Hα-helixtrans-73-37174.2-153.3173.348.900111.6Q2076 Q2077 Q2078 Q2083 Q2084Q2076-Q2080 PolarHBondContact O-N 3.23Å; Q2076-Q2080 VanDerWaalsContact O-N 3.13Å; Q2077-Q2080 WeakPolarHBondContact O-CB 3.26Å; Q2077-Q2080 PolarHBondContact O-N 3.27Å; Q2077-Q2080 VanDerWaalsContact O-N 3.12Å; Q2078-Q2080 VanDerWaalsContact C-N 3.34Å; Q2080-Q2083 PolarHBondContact O-N 2.78Å; Q2080-Q2084 PolarHBondContact O-N 3.23Å; Q2080-Q2084 VanDerWaalsContact O-N 3.14Å
2081Q66.1Low64.4Low137 Ų137136.8 Ų136.864%0.6463%0.627SS**Hα-helixtrans-64.8-40.7174.3-129.9177.623.100112.3Q2077 Q2078 Q2083 Q2084 Q2085Q2077-Q2081 PolarHBondContact O-N 3.36Å; Q2078-Q2081 PolarHBondContact O-N 3.47Å; Q2081-Q2083 VanDerWaalsContact C-N 3.31Å; Q2081-Q2083 PolarHBondContact O-N 3.15Å; Q2081-Q2084 PolarHBondContact O-N 3.36Å; Q2081-Q2085 PolarHBondContact O-N 2.84Å
2082Q62.5Low64.3Low120 Ų120135.7 Ų135.756%0.56162%0.622SS**Hα-helixtrans-62.5-34.3172.7-81.8-167.8-8.700113.1Q2078 Q2085 Q2086Q2078-Q2082 PolarHBondContact O-N 3.17Å; Q2078-Q2082 VanDerWaalsContact O-N 3.14Å; Q2082-Q2085 PolarHBondContact O-N 2.9Å; Q2082-Q2086 WeakPolarHBondContact O-CG 3.38Å; Q2082-Q2086 PolarHBondContact O-N 3.08Å
2083Q60.6Low64Low125 Ų125135.7 Ų135.758%0.58462%0.622SS**Hα-helixtrans-68.3-39174.7-74.2-171.612.800112.3Q2079 Q2080 Q2081 Q2086 Q2087Q2079-Q2083 PolarHBondContact O-N 3.32Å; Q2080-Q2083 PolarHBondContact O-N 2.78Å; Q2081-Q2083 VanDerWaalsContact C-N 3.31Å; Q2081-Q2083 PolarHBondContact O-N 3.15Å; Q2083-Q2086 PolarHBondContact O-N 2.78Å; Q2083-Q2087 WeakPolarHBondContact O-CB 3.1Å; Q2083-Q2087 PolarHBondContact O-N 2.87Å
2084Q62.7Low63.6Low135 Ų135135 Ų13563%0.63162%0.619SS**Hα-helixtrans-63.7-42.5173.8-74.4-167.8-2.500112.3Q2080 Q2081 Q2087 Y2088Q2080-Q2084 PolarHBondContact O-N 3.23Å; Q2080-Q2084 VanDerWaalsContact O-N 3.14Å; Q2081-Q2084 PolarHBondContact O-N 3.36Å; Q2084-Q2087 PolarHBondContact O-N 3.04Å; Q2084-Y2088 WeakPolarHBondContact O-CB 3.46Å; Q2084-Y2088 PolarHBondContact O-N 3.32Å
2085Q62Low63.1Low139 Ų139133.8 Ų133.865%0.6561%0.613SS**Hα-helixtrans-63.2-43176-74.8-173.2-12.400112.5Q2081 Q2082 Q2087 Y2088 H2089Q2081-Q2085 PolarHBondContact O-N 2.84Å; Q2082-Q2085 PolarHBondContact O-N 2.9Å; Q2085-Q2087 VanDerWaalsContact C-N 3.33Å; Q2085-Q2087 PolarHBondContact O-N 3.02Å; Q2085-Y2088 PolarHBondContact O-N 3.07Å; Q2085-H2089 PolarHBondContact O-N 3.37Å
2086Q58.6Low62.8Low127 Ų127134.4 Ų134.459%0.59362%0.616SS**Hα-helixtrans-63.3-38.3174.2-73.6-172.6500112.3Q2082 Q2083 H2089 I2090Q2082-Q2086 WeakPolarHBondContact O-CG 3.38Å; Q2082-Q2086 PolarHBondContact O-N 3.08Å; Q2083-Q2086 PolarHBondContact O-N 2.78Å; Q2086-H2089 PolarHBondContact O-N 2.86Å; Q2086-I2090 WeakPolarHBondContact O-CB 3.49Å; Q2086-I2090 VanDerWaalsContact O-CG1 3.29Å; Q2086-I2090 WeakPolarHBondContact O-CG1 3.41Å; Q2086-I2090 PolarHBondContact O-N 2.97Å
2087Q60.9Low62.6Low139 Ų139134 Ų13465%0.6561%0.614SS**Hα-helixtrans-70-32.1177.4-160172.427.300112.4Q2083 Q2084 Q2085 R2091Q2083-Q2087 WeakPolarHBondContact O-CB 3.1Å; Q2083-Q2087 PolarHBondContact O-N 2.87Å; Q2084-Q2087 PolarHBondContact O-N 3.04Å; Q2085-Q2087 VanDerWaalsContact C-N 3.33Å; Q2085-Q2087 PolarHBondContact O-N 3.02Å; Q2087-R2091 WeakPolarHBondContact O-CB 3.42Å; Q2087-R2091 PolarHBondContact O-N 3.48Å
2088Y63.1Low62.3Low171 Ų171133.7 Ų133.767%0.67161%0.613SS**Hα-helixtrans-67.8-45.8172.9-155.1-90.5000111.5Q2084 Q2085 I2090 R2091 Q2092Q2084-Y2088 WeakPolarHBondContact O-CB 3.46Å; Q2084-Y2088 PolarHBondContact O-N 3.32Å; Q2085-Y2088 PolarHBondContact O-N 3.07Å; Y2088-I2090 PolarHBondContact O-N 2.94Å; Y2088-R2091 PolarHBondContact O-N 2.97Å; Y2088-Q2092 WeakPolarHBondContact O-CB 3.49Å; Y2088-Q2092 PolarHBondContact O-N 3.43Å
2089H62.5Low62.2Low139 Ų139132 Ų13264%0.64461%0.607SS**Hα-helixtrans-61.7-42.2174.6-115.336.5000112.3Q2085 Q2086 Q2092 Q2093Q2085-H2089 PolarHBondContact O-N 3.37Å; Q2086-H2089 PolarHBondContact O-N 2.86Å; H2089-Q2092 PolarHBondContact O-N 3Å; H2089-Q2093 WeakPolarHBondContact O-CB 3.24Å; H2089-Q2093 PolarHBondContact O-N 3.24Å
2090I62.3Low62Low98 Ų98131.6 Ų131.650%0.50361%0.608SS.*Hα-helixtrans-64.5-39.8175.5-72.4168.2000111.3Q2086 Y2088 Q2093 Q2094Q2086-I2090 WeakPolarHBondContact O-CB 3.49Å; Q2086-I2090 VanDerWaalsContact O-CG1 3.29Å; Q2086-I2090 WeakPolarHBondContact O-CG1 3.41Å; Q2086-I2090 PolarHBondContact O-N 2.97Å; Y2088-I2090 PolarHBondContact O-N 2.94Å; I2090-Q2093 PolarHBondContact O-N 3.36Å; I2090-Q2094 WeakPolarHBondContact O-CB 3.47Å; I2090-Q2094 PolarHBondContact O-N 2.96Å
2091R63.1Low61.7Low178 Ų178132.9 Ų132.967%0.67261%0.607SS**Hα-helixtrans-63.9-44.7174.5-178.5178.2-73.9-164.3-1.1111.5Q2087 Y2088 Q2094 Q2095Q2087-R2091 WeakPolarHBondContact O-CB 3.42Å; Q2087-R2091 PolarHBondContact O-N 3.48Å; Y2088-R2091 PolarHBondContact O-N 2.97Å; R2091-Q2094 PolarHBondContact O-N 3.01Å; R2091-Q2095 WeakPolarHBondContact O-CB 3.43Å; R2091-Q2095 PolarHBondContact O-N 3.11Å
2092Q65Low61.4Low111 Ų111132.9 Ų132.952%0.51961%0.607SS.*Hα-helixtrans-64.1-41.1178.9-163.4175.421.100111.4Y2088 H2089 Q2095 Q2096Y2088-Q2092 WeakPolarHBondContact O-CB 3.49Å; Y2088-Q2092 PolarHBondContact O-N 3.43Å; H2089-Q2092 PolarHBondContact O-N 3Å; Q2092-Q2095 PolarHBondContact O-N 3.16Å; Q2092-Q2096 WeakPolarHBondContact O-CB 3.47Å; Q2092-Q2096 PolarHBondContact O-N 3.39Å
2093Q62.2Low61.2Low137 Ų137132.8 Ų132.864%0.6461%0.607SS**Hα-helixtrans-69-36.9176.6-168.7169.770.100112.6H2089 I2090 Q2097H2089-Q2093 WeakPolarHBondContact O-CB 3.24Å; H2089-Q2093 PolarHBondContact O-N 3.24Å; I2090-Q2093 PolarHBondContact O-N 3.36Å; Q2093-Q2097 VanDerWaalsContact O-CB 3.32Å; Q2093-Q2097 WeakPolarHBondContact O-CB 3.46Å; Q2093-Q2097 PolarHBondContact O-N 3.45Å
2094Q59.5Low61.3Low131 Ų131132.8 Ų132.861%0.61261%0.607SS**Hα-helixtrans-64.8-43.1169.8-83.9-168.5-25.200112.1I2090 R2091 Q2096 Q2097 Q2098I2090-Q2094 WeakPolarHBondContact O-CB 3.47Å; I2090-Q2094 PolarHBondContact O-N 2.96Å; R2091-Q2094 PolarHBondContact O-N 3.01Å; Q2094-Q2096 PolarHBondContact O-N 2.95Å; Q2094-Q2097 PolarHBondContact O-N 3.32Å; Q2094-Q2098 VanDerWaalsContact O-CB 3.29Å; Q2094-Q2098 WeakPolarHBondContact O-CB 3.27Å; Q2094-Q2098 PolarHBondContact O-N 2.74Å
2095Q59.5Low61.1Low118 Ų118131.5 Ų131.555%0.55160%0.601SS**Hα-helixtrans-65.4-40.5-179.8-163.8169.119.600111.5R2091 Q2092 Q2098 I2099R2091-Q2095 WeakPolarHBondContact O-CB 3.43Å; R2091-Q2095 PolarHBondContact O-N 3.11Å; Q2092-Q2095 PolarHBondContact O-N 3.16Å; Q2095-Q2098 PolarHBondContact O-N 2.8Å; Q2095-I2099 HydrophobicContact CG-CD1 4.45Å; Q2095-I2099 WeakPolarHBondContact O-CG1 3.39Å; Q2095-I2099 PolarHBondContact O-N 3.01Å
2096Q60.2Low60.8Low143 Ų143131 Ų13167%0.66860%0.598SS**Hα-helixtrans-64.9-40.5173.7-166.5172.760.800112Q2092 Q2094 Q2098 I2099 L2100Q2092-Q2096 WeakPolarHBondContact O-CB 3.47Å; Q2092-Q2096 PolarHBondContact O-N 3.39Å; Q2094-Q2096 PolarHBondContact O-N 2.95Å; Q2096-Q2098 VanDerWaalsContact C-N 3.34Å; Q2096-I2099 PolarHBondContact O-N 2.95Å; Q2096-L2100 WeakPolarHBondContact O-CB 3.35Å; Q2096-L2100 PolarHBondContact O-N 3.32Å
2097Q61.4Low60.9Low137 Ų137131 Ų13164%0.6460%0.598SS**Hα-helixtrans-70.6-28.2175.7-169.1169.192.300113.1Q2093 Q2094 R2101Q2093-Q2097 VanDerWaalsContact O-CB 3.32Å; Q2093-Q2097 WeakPolarHBondContact O-CB 3.46Å; Q2093-Q2097 PolarHBondContact O-N 3.45Å; Q2094-Q2097 PolarHBondContact O-N 3.32Å; Q2097-R2101 PolarHBondContact O-N 3.09Å
2098Q59.6Low60.8Low137 Ų137130.2 Ų130.264%0.6460%0.595SS**Hα-helixtrans-76.5-38.5174.8-165.616915.100111.7Q2094 Q2095 Q2096 R2101 Q2102Q2094-Q2098 VanDerWaalsContact O-CB 3.29Å; Q2094-Q2098 WeakPolarHBondContact O-CB 3.27Å; Q2094-Q2098 PolarHBondContact O-N 2.74Å; Q2095-Q2098 PolarHBondContact O-N 2.8Å; Q2096-Q2098 VanDerWaalsContact C-N 3.34Å; Q2098-R2101 PolarHBondContact O-N 3.18Å; Q2098-Q2102 WeakPolarHBondContact O-CB 3.22Å; Q2098-Q2102 PolarHBondContact O-N 3.16Å
2099I64.6Low60.4Low96 Ų96128.4 Ų128.449%0.49259%0.593SS.*Hα-helixtrans-60.5-45.1168.3-71.3165.6000110.1Q2095 Q2096 R2101 Q2102 Q2103Q2095-I2099 HydrophobicContact CG-CD1 4.45Å; Q2095-I2099 WeakPolarHBondContact O-CG1 3.39Å; Q2095-I2099 PolarHBondContact O-N 3.01Å; Q2096-I2099 PolarHBondContact O-N 2.95Å; I2099-R2101 VanDerWaalsContact C-N 3.34Å; I2099-R2101 PolarHBondContact O-N 3.08Å; I2099-Q2102 PolarHBondContact O-N 3.45Å; I2099-Q2102 VanDerWaalsContact O-N 3.11Å; I2099-Q2103 WeakPolarHBondContact O-CB 3.41Å; I2099-Q2103 PolarHBondContact O-N 3Å
2100L59.2Low59.9Low111 Ų111128.2 Ų128.258%0.58159%0.592SS**Hα-helixtrans-60.7-40.9176.8-140.175.5000112.2Q2096 Q2104Q2096-L2100 WeakPolarHBondContact O-CB 3.35Å; Q2096-L2100 PolarHBondContact O-N 3.32Å; L2100-Q2104 VanDerWaalsContact O-CB 3.23Å; L2100-Q2104 WeakPolarHBondContact O-CB 3.42Å; L2100-Q2104 PolarHBondContact O-N 3.34Å
2101R60.9Low59.6Low161 Ų161129.8 Ų129.861%0.60860%0.597SS**Hα-helixtrans-65.4-37.7172.6-90.4-162.864.5177.6-2.8113.4Q2097 Q2098 I2099 Q2105Q2097-R2101 PolarHBondContact O-N 3.09Å; Q2098-R2101 PolarHBondContact O-N 3.18Å; I2099-R2101 VanDerWaalsContact C-N 3.34Å; I2099-R2101 PolarHBondContact O-N 3.08Å; R2101-Q2105 WeakPolarHBondContact O-CG 3.43Å; R2101-Q2105 PolarHBondContact O-N 3.42Å
2102Q59.2Low59.3Low137 Ų137127.8 Ų127.864%0.6460%0.595SS**Hα-helixtrans-73.1-38.9-178.9-167.9165.270.100111.5Q2098 I2099 Q2105 Q2106Q2098-Q2102 WeakPolarHBondContact O-CB 3.22Å; Q2098-Q2102 PolarHBondContact O-N 3.16Å; I2099-Q2102 PolarHBondContact O-N 3.45Å; I2099-Q2102 VanDerWaalsContact O-N 3.11Å; Q2102-Q2105 PolarHBondContact O-N 3.34Å; Q2102-Q2106 PolarHBondContact O-N 3.34Å
2103Q57.7Low58.6Low118 Ų118129 Ų12955%0.55160%0.601SS**Hα-helixtrans-66.1-38.9172.2-167.4171.968.600111.6I2099 Q2106 Q2107I2099-Q2103 WeakPolarHBondContact O-CB 3.41Å; I2099-Q2103 PolarHBondContact O-N 3Å; Q2103-Q2106 PolarHBondContact O-N 3.09Å; Q2103-Q2107 PolarHBondContact O-N 2.74Å
2104Q62.6Low58.1Low125 Ų125129 Ų12958%0.58460%0.601SS**Hα-helixtrans-67.9-32.4173.3-171.61688100112.9L2100 Q2108L2100-Q2104 VanDerWaalsContact O-CB 3.23Å; L2100-Q2104 WeakPolarHBondContact O-CB 3.42Å; L2100-Q2104 PolarHBondContact O-N 3.34Å; Q2104-Q2108 PolarHBondContact O-N 3.02Å
2105Q58.9Low57.8Low108 Ų108129.1 Ų129.151%0.50560%0.601SS.*Hα-helixtrans-72.5-34.9170.7-77.6-170.8-77.800112.9R2101 Q2102 Q2108 Q2109R2101-Q2105 WeakPolarHBondContact O-CG 3.43Å; R2101-Q2105 PolarHBondContact O-N 3.42Å; Q2102-Q2105 PolarHBondContact O-N 3.34Å; Q2105-Q2108 PolarHBondContact O-N 2.95Å; Q2105-Q2109 PolarHBondContact O-N 3.45Å
2106Q56.6Low57.3Low129 Ų129130.5 Ų130.560%0.60361%0.608SS**Hα-helixtrans-65.6-39.7171.3-82.4-174.7-28.800112.1Q2102 Q2103 Q2108 Q2109 Q2110Q2102-Q2106 PolarHBondContact O-N 3.34Å; Q2103-Q2106 PolarHBondContact O-N 3.09Å; Q2106-Q2108 PolarHBondContact O-N 3.45Å; Q2106-Q2109 PolarHBondContact O-N 2.94Å; Q2106-Q2110 PolarHBondContact O-N 3.42Å
2107Q59.2Low56.6Low126 Ų126131.1 Ų131.159%0.58961%0.611SS**Hα-helixtrans-62.7-39.1171.6-81.1-172.5-21.300112.5Q2103 Q2110 Q2111Q2103-Q2107 PolarHBondContact O-N 2.74Å; Q2107-Q2110 PolarHBondContact O-N 3.46Å; Q2107-Q2111 WeakPolarHBondContact O-CB 3.17Å; Q2107-Q2111 WeakPolarHBondContact O-CG 3.42Å; Q2107-Q2111 PolarHBondContact O-N 3.16Å
2108Q59.2Low55.8Low123 Ų123132.6 Ų132.658%0.57562%0.618SS**Hα-helixtrans-66.8-36.2173.7-80-170.2-24.300113.2Q2104 Q2105 Q2106 Q2111 Q2112Q2104-Q2108 PolarHBondContact O-N 3.02Å; Q2105-Q2108 PolarHBondContact O-N 2.95Å; Q2106-Q2108 PolarHBondContact O-N 3.45Å; Q2108-Q2111 PolarHBondContact O-N 2.89Å; Q2108-Q2112 PolarHBondContact O-N 2.94Å
2109Q54.9Low55Low134 Ų134134.5 Ų134.563%0.62663%0.627SS**Hα-helixtrans-70.1-37.7174.1-81.8-171.9-32.700112.9Q2105 Q2106 Q2112 Q2113Q2105-Q2109 PolarHBondContact O-N 3.45Å; Q2106-Q2109 PolarHBondContact O-N 2.94Å; Q2109-Q2112 PolarHBondContact O-N 3.5Å; Q2109-Q2113 PolarHBondContact O-N 3.1Å
2110Q53Low53.8Low134 Ų134138.3 Ų138.363%0.62664%0.642SS**Hα-helixtrans-66.1-39.5172.4-80.7-172.9-25.900112.2Q2106 Q2107 Q2113 Q2114Q2106-Q2110 PolarHBondContact O-N 3.42Å; Q2107-Q2110 PolarHBondContact O-N 3.46Å; Q2110-Q2113 PolarHBondContact O-N 3.04Å; Q2110-Q2114 PolarHBondContact O-N 3.17Å
2111Q56.2Low52.5Low132 Ų132141.1 Ų141.162%0.61765%0.652SS**Hα-helixtrans-65.3-36.6173.4-77.1-172.9-17.600112.6Q2107 Q2108 Q2115Q2107-Q2111 WeakPolarHBondContact O-CB 3.17Å; Q2107-Q2111 WeakPolarHBondContact O-CG 3.42Å; Q2107-Q2111 PolarHBondContact O-N 3.16Å; Q2108-Q2111 PolarHBondContact O-N 2.89Å; Q2111-Q2115 WeakPolarHBondContact O-CB 3.25Å; Q2111-Q2115 WeakPolarHBondContact O-CG 3.36Å; Q2111-Q2115 PolarHBondContact O-N 3.25Å
2112Q54.9Low51.3Low135 Ų135141.5 Ų141.563%0.63166%0.661SS**Hα-helixtrans-69.5-37173.5-79-169.9-25.800113.1Q2108 Q2109 Q2115 Q2116Q2108-Q2112 PolarHBondContact O-N 2.94Å; Q2109-Q2112 PolarHBondContact O-N 3.5Å; Q2112-Q2115 PolarHBondContact O-N 3.35Å; Q2112-Q2116 PolarHBondContact O-N 2.89Å
2113Q51.5Low50Low138 Ų138143.2 Ų143.265%0.64567%0.669SS**Hα-helixtrans-68.3-38.4173.5-79.9-171.8-26.900112.6Q2109 Q2110 Q2116 Q2117Q2109-Q2113 PolarHBondContact O-N 3.1Å; Q2110-Q2113 PolarHBondContact O-N 3.04Å; Q2113-Q2116 PolarHBondContact O-N 3.18Å; Q2113-Q2117 PolarHBondContact O-N 3.17Å
2114Q52Low48.8Very low136 Ų136146.8 Ų146.864%0.63669%0.686SS**Hα-helixtrans-67.2-37.6173.3-77.9-172.4-23.200112.6Q2110 Q2117 Q2118Q2110-Q2114 PolarHBondContact O-N 3.17Å; Q2114-Q2117 PolarHBondContact O-N 3.33Å; Q2114-Q2118 PolarHBondContact O-N 3.03Å
2115Q52.5Low47.5Very low133 Ų133145.8 Ų145.862%0.62169%0.69SS**Hα-helixtrans-67.8-34.7173.5-77.3-170.8-16.100113Q2111 Q2112 Q2118 Q2119Q2111-Q2115 WeakPolarHBondContact O-CB 3.25Å; Q2111-Q2115 WeakPolarHBondContact O-CG 3.36Å; Q2111-Q2115 PolarHBondContact O-N 3.25Å; Q2112-Q2115 PolarHBondContact O-N 3.35Å; Q2115-Q2118 PolarHBondContact O-N 3.16Å; Q2115-Q2119 PolarHBondContact O-N 3.23Å; Q2115-Q2119 VanDerWaalsContact O-N 3.12Å
2116Q49Very low46.2Very low147 Ų147149 Ų14969%0.68771%0.705SS**Hα-helixtrans-70.1-32.5173.1-78.5-169.8-21.400113.1Q2112 Q2113Q2112-Q2116 PolarHBondContact O-N 2.89Å; Q2113-Q2116 PolarHBondContact O-N 3.18Å
2117Q44.9Very low45.1Very low157 Ų157150.2 Ų150.273%0.73471%0.711SS**Hα-helixtrans-72.5-32.2172.2-77.1-171.4-20.700113.2Q2113 Q2114Q2113-Q2117 PolarHBondContact O-N 3.17Å; Q2114-Q2117 PolarHBondContact O-N 3.33Å
2118Q44.6Very low43.9Very low168 Ų168152.5 Ų152.579%0.78572%0.722SS**Hα-helixtrans-77.4-18174.5-77-170.2-16.900114.5Q2114 Q2115Q2114-Q2118 PolarHBondContact O-N 3.03Å; Q2115-Q2118 PolarHBondContact O-N 3.16Å
2119Q43.1Very low42.4Very low176 Ų176154.9 Ų154.982%0.82273%0.733SS**THydrogen-bonded Turntrans-88.82.7174.1-76.4-168.2-14.800115.1Q2115Q2115-Q2119 PolarHBondContact O-N 3.23Å; Q2115-Q2119 VanDerWaalsContact O-N 3.12Å
2120Q38.8Very low41.6Very low177 Ų177154.1 Ų154.183%0.82774%0.74SS**THydrogen-bonded Turntrans-104.35.7173.3-102.6-175.45.500115.1
2121Q32.4Very low40.5Very low169 Ų169154.9 Ų154.979%0.7974%0.743SS**SBendtrans-127.958.7175.2-70.6-165.4-4.800113.7
2122Q35.5Very low39.2Very low170 Ų170155.6 Ų155.679%0.79475%0.746SS**SBendtrans-156.7124.9148.5-116.8167.272.200113.4
2123Q32.9Very low38.1Very low172 Ų172156.8 Ų156.880%0.80475%0.752SS**  trans63.1101.3161.1-50.6-177.531.700118.3
2124Q32.7Very low37.2Very low193 Ų193158 Ų15890%0.90276%0.757SS**  -154.6163.393.7-96.7-169.36.900110.4
2125P35.7Very low36.2Very low105 Ų105158.7 Ų158.768%0.68276%0.761SS**  trans-110.8145.9-138.139.5-35.9000117.8
2126Q31.1Very low35.3Very low174 Ų174160.6 Ų160.681%0.81377%0.77SS**  44.7105.5127.7-161.3-172.136.300119.3
2127Q33.5Very low34.6Very low156 Ų156158 Ų15873%0.72977%0.774SS**  -178.7159.3112.9-99.5-168.431.400114.5
2128Q32.5Very low34.1Very low173 Ų173155.2 Ų155.281%0.80878%0.777SS**  trans74.2108.9160-70.8167.643.100121.3
2129Q29.1Very low34.1Very low173 Ų173152.9 Ų152.981%0.80878%0.776SS**  trans-76173.6147.8-80.7-178.1-10.600110
2130P36.7Very low34.2Very low119 Ų119149.9 Ų149.977%0.77377%0.772SS**  cis-146.3-17128.543.9-22.3000119
2131H31.8Very low34.1Very low149 Ų149149.9 Ų149.969%0.6977%0.772SS**  trans-28.5165.2159.8-70.12.2000118.8
2132Q28.6Very low34.3Very low148 Ų148146.8 Ų146.869%0.69277%0.767SS**  cis-170.6163.1-7.4-108.7175.326.100108.3
2133Q30.2Very low34.1Very low159 Ų159147.7 Ų147.774%0.74377%0.771SS**  144.5148.5126.7-78-158.4-1.400116.4
2134Q33.2Very low34.2Very low164 Ų164145.4 Ų145.477%0.76677%0.771SS**  trans63.3148.7160.2-71-177.8-2.500121.1
2135Q32.4Very low34Very low150 Ų150145.8 Ų145.870%0.70177%0.773SS**  cis-170.6161.6-44.3-122.2177.919.300111.2
2136Q33.2Very low33.8Very low174 Ų174145.7 Ų145.781%0.81378%0.775SS**  trans69.5141.2160.9-66.9168.829.300117.5
2137A33Very low33.6Very low93 Ų93146.4 Ų146.477%0.76978%0.778SS**  cis-146.4134.4-1.900000115
2138A34.5Very low33.5Very low97 Ų97144.4 Ų144.480%0.80278%0.778SS**  trans48.1122.814000000123.4
2139P45.7Very low33.3Very low119 Ų119145.5 Ų145.577%0.77378%0.784SS**  trans-94.9-173.6158.541-34.6000111.9
2140P44.6Very low33.4Very low114 Ų114147.6 Ų147.674%0.7479%0.79SS**  -148.2133.8118.536.5-20.1000117.8
2141Q35.8Very low33Very low177 Ų177150.7 Ų150.783%0.82779%0.794SS**  62.8154.9127.3-65.7-169.1-27.300123.9
2142P38.6Very low33Very low104 Ų104155.1 Ų155.168%0.67581%0.805SS**  cis-146.2-177.3-4042.6-25.8000116.4
2143Q31Very low33Very low188 Ų188157.1 Ų157.188%0.87982%0.815SS**  trans83.8121.7156.3-74.3-173.2-16.500121.2
2144P33.8Very low33.1Very low124 Ų124153.1 Ų153.181%0.80582%0.816SS**  trans-118.3164.6170.141.4-31.3000114.1
2145Q30Very low33Very low202 Ų202152.8 Ų152.894%0.94482%0.818SS**  trans-154.9165.4150.1-124177.88.900112.1
2146S31.1Very low32.8Very low103 Ų103154.9 Ų154.972%0.7283%0.828SS**  trans-142.1127-156.356.20000115.5
2147Q26.1Very low32.6Very low189 Ų189154.5 Ų154.588%0.88383%0.826SS**  trans59.9166.3153.8-74.7-171-0.600119.3
2148P32Very low32.6Very low113 Ų113156.2 Ų156.273%0.73483%0.828SS**  cis-121.6167.4-23.328.6-10.2000113.2
2149Q28.4Very low32.7Very low197 Ų197159.5 Ų159.592%0.92183%0.826SS**  trans-82.8135.6174.2-65.8174.9-88.100112.4
2150F30.3Very low32.3Very low217 Ų217161 Ų16195%0.95282%0.823SS**  trans-80.6145.8158.5-102.1-92.2000111
2151Q28.9Very low32Very low183 Ų183163.4 Ų163.486%0.85582%0.824SS**  trans-112.6112.1-175.5-164.8173.925.200110.7
2152R30.9Very low32.3Very low242 Ų242162.5 Ų162.591%0.91382%0.82SS**  trans-110.2132.7171.8-92.6-169.8174.1-163.4-0.8111.5
2153Q30Very low32.4Very low191 Ų191164.7 Ų164.789%0.89382%0.821SS**  trans-131.8140.2155.9-69.3-176.5-11.100106.8
2154G31.8Very low33Very low74 Ų74159.7 Ų159.776%0.76380%0.804SS**  cis-166.7147-9.600000109.7
2155L30.9Very low33.4Very low157 Ų157155.9 Ų155.982%0.82278%0.783SS**  trans-81.9141.5-178.9-87.374.4000111.9
2156Q27.8Very low34.2Very low195 Ų195148.7 Ų148.791%0.91176%0.758SS**  trans-143.258.9157.8-164167.78800111.6
2157Q29.7Very low34.7Very low165 Ų165148.8 Ų148.877%0.77175%0.75SS**  trans-133.3107.6161-77.4-167.8-2.600108.7
2158T33.2Very low35.8Very low130 Ų130143.6 Ų143.680%0.79873%0.731SS**  trans-149.866.2-179.1-40.40000111.3
2159Q36Very low36.6Very low166 Ų166146.2 Ų146.278%0.77673%0.726SS**SBendtrans-153.1-41.1163-123.9174.219.500112.9Q2161 Q2162Q2159-Q2161 PolarHBondContact O-N 3.15Å; Q2159-Q2162 PolarHBondContact O-N 3.42Å
2160Q37.8Very low37.2Very low149 Ų149142.2 Ų142.270%0.69671%0.707SS**Hα-helixtrans-66-36.4-175.6-156.7167.312.400113.3Q2162 Q2163 T2164Q2160-Q2162 VanDerWaalsContact C-N 3.31Å; Q2160-Q2162 PolarHBondContact O-N 3.13Å; Q2160-Q2163 PolarHBondContact O-N 2.96Å; Q2160-Q2163 VanDerWaalsContact O-N 3.14Å; Q2160-T2164 PolarHBondContact O-N 2.93Å
2161Q38.8Very low37.6Very low166 Ų166136.2 Ų136.278%0.77669%0.685SS**Hα-helixtrans-67.4-25.9-176.1-152.4174.131.800113.8Q2159 A2165Q2159-Q2161 PolarHBondContact O-N 3.15Å; Q2161-A2165 WeakPolarHBondContact O-CB 3.39Å; Q2161-A2165 PolarHBondContact O-N 3.46Å; Q2161-A2165 VanDerWaalsContact O-N 3.15Å
2162Q41.3Very low38Very low158 Ų158134 Ų13474%0.73868%0.675SS**Hα-helixtrans-74.3-29.9173.8-87.3-172.9-15.200112.9Q2159 Q2160 A2166Q2159-Q2162 PolarHBondContact O-N 3.42Å; Q2160-Q2162 VanDerWaalsContact C-N 3.31Å; Q2160-Q2162 PolarHBondContact O-N 3.13Å; Q2162-A2166 WeakPolarHBondContact O-CB 3.19Å; Q2162-A2166 PolarHBondContact O-N 2.89Å
2163Q39.8Very low38.3Very low149 Ų149129.1 Ų129.170%0.69666%0.662SS**Hα-helixtrans-70.6-41.2175.5-72.3-175.8-25.200111.2Q2160 A2165 A2166 L2167Q2160-Q2163 PolarHBondContact O-N 2.96Å; Q2160-Q2163 VanDerWaalsContact O-N 3.14Å; Q2163-A2165 PolarHBondContact O-N 3.38Å; Q2163-A2166 PolarHBondContact O-N 2.98Å; Q2163-L2167 WeakPolarHBondContact O-CB 3.28Å; Q2163-L2167 PolarHBondContact O-N 3.45Å
2164T44.4Very low38.6Very low84 Ų84126.9 Ų126.952%0.51565%0.651SS.*Hα-helixtrans-62.4-43.3172.6-44.50000111.6Q2160 A2166 L2167 V2168Q2160-T2164 PolarHBondContact O-N 2.93Å; T2164-A2166 PolarHBondContact O-N 3.24Å; T2164-L2167 PolarHBondContact O-N 3.37Å; T2164-V2168 HydrophobicContact CG2-CG2 4.45Å; T2164-V2168 WeakPolarHBondContact O-CB 3.2Å; T2164-V2168 WeakPolarHBondContact O-CG2 3.38Å; T2164-V2168 PolarHBondContact O-N 3.26Å
2165A41.8Very low38.7Very low44 Ų44130.1 Ų130.136%0.36465%0.651SS.*Hα-helixtrans-71.1-10.517700000114.6Q2161 Q2163 R2169Q2161-A2165 WeakPolarHBondContact O-CB 3.39Å; Q2161-A2165 PolarHBondContact O-N 3.46Å; Q2161-A2165 VanDerWaalsContact O-N 3.15Å; Q2163-A2165 PolarHBondContact O-N 3.38Å; A2165-R2169 PolarHBondContact O-NE 2.97Å; A2165-R2169 PolarHBondContact O-NH2 3.02Å
2166A46.4Very low38.7Very low51 Ų51126 Ų12642%0.42164%0.635SS.*Hα-helixtrans-90.5-45.4167.700000110.9Q2162 Q2163 T2164 V2168 R2169 Q2170Q2162-A2166 WeakPolarHBondContact O-CB 3.19Å; Q2162-A2166 PolarHBondContact O-N 2.89Å; Q2163-A2166 PolarHBondContact O-N 2.98Å; T2164-A2166 PolarHBondContact O-N 3.24Å; A2166-V2168 PolarHBondContact O-N 2.97Å; A2166-R2169 CarbonylContact O-C 3.57Å; A2166-R2169 PolarHBondContact O-N 2.94Å; A2166-R2169 VanDerWaalsContact O-N 3.13Å; A2166-Q2170 WeakPolarHBondContact O-CB 3.35Å; A2166-Q2170 PolarHBondContact O-N 3.13Å
2167L42.8Very low38.6Very low105 Ų105123.6 Ų123.655%0.5563%0.628SS.*Hα-helixtrans-61.7-40.8178.8-16870.8000112.2Q2163 T2164 Q2170 L2171Q2163-L2167 WeakPolarHBondContact O-CB 3.28Å; Q2163-L2167 PolarHBondContact O-N 3.45Å; T2164-L2167 PolarHBondContact O-N 3.37Å; L2167-Q2170 PolarHBondContact O-N 2.89Å; L2167-L2171 HydrophobicContact CG-CD1 4.41Å; L2167-L2171 WeakPolarHBondContact O-CB 3.47Å; L2167-L2171 PolarHBondContact O-N 2.97Å
2168V49.3Very low38.6Very low79 Ų79122 Ų12248%0.47963%0.63SS.*Hα-helixtrans-62.3-42.7173.4170.60000111.2T2164 A2166 Q2170 L2171 Q2172T2164-V2168 HydrophobicContact CG2-CG2 4.45Å; T2164-V2168 WeakPolarHBondContact O-CB 3.2Å; T2164-V2168 WeakPolarHBondContact O-CG2 3.38Å; T2164-V2168 PolarHBondContact O-N 3.26Å; A2166-V2168 PolarHBondContact O-N 2.97Å; V2168-Q2170 VanDerWaalsContact C-N 3.33Å; V2168-Q2170 PolarHBondContact O-N 3.31Å; V2168-L2171 PolarHBondContact O-N 2.85Å; V2168-Q2172 VanDerWaalsContact O-CB 3.25Å; V2168-Q2172 WeakPolarHBondContact O-CB 3.42Å; V2168-Q2172 PolarHBondContact O-N 3.44Å
2169R47.8Very low38.3Very low168 Ų168123.5 Ų123.563%0.63463%0.628SS**Hα-helixtrans-66.9-32.9175.1-89.5-178-77.7-172.5-7.8112.9A2165 A2166 Q2173A2165-R2169 PolarHBondContact O-NE 2.97Å; A2165-R2169 PolarHBondContact O-NH2 3.02Å; A2166-R2169 CarbonylContact O-C 3.57Å; A2166-R2169 PolarHBondContact O-N 2.94Å; A2166-R2169 VanDerWaalsContact O-N 3.13Å; R2169-Q2173 WeakPolarHBondContact O-CG 3.45Å; R2169-Q2173 PolarHBondContact O-N 3.3Å
2170Q41.9Very low37.9Very low114 Ų114121 Ų12153%0.53363%0.626SS.*Hα-helixtrans-72.6-41.5177-168.6170.6-0.600111.8A2166 L2167 V2168 Q2173 Q2174A2166-Q2170 WeakPolarHBondContact O-CB 3.35Å; A2166-Q2170 PolarHBondContact O-N 3.13Å; L2167-Q2170 PolarHBondContact O-N 2.89Å; V2168-Q2170 VanDerWaalsContact C-N 3.33Å; V2168-Q2170 PolarHBondContact O-N 3.31Å; Q2170-Q2173 PolarHBondContact O-N 3.43Å; Q2170-Q2174 PolarHBondContact O-N 3.3Å
2171L39.1Very low37.5Very low91 Ų91122.5 Ų122.548%0.47663%0.633SS.*Hα-helixtrans-61-43.3169.9-84.2160.6000111.6L2167 V2168 Q2173 Q2174 L2175L2167-L2171 HydrophobicContact CG-CD1 4.41Å; L2167-L2171 WeakPolarHBondContact O-CB 3.47Å; L2167-L2171 PolarHBondContact O-N 2.97Å; V2168-L2171 PolarHBondContact O-N 2.85Å; L2171-Q2173 VanDerWaalsContact C-N 3.27Å; L2171-Q2173 PolarHBondContact O-N 3.29Å; L2171-Q2174 PolarHBondContact O-N 2.71Å; L2171-Q2174 VanDerWaalsContact O-N 3.14Å; L2171-L2175 WeakPolarHBondContact O-CG 3.45Å; L2171-L2175 PolarHBondContact O-N 2.66Å
2172Q37Very low36.9Very low137 Ų137119.8 Ų119.864%0.6463%0.63SS**Hα-helixtrans-70.3-21.4179.7-160.6157.534.600113.3V2168V2168-Q2172 VanDerWaalsContact O-CB 3.25Å; V2168-Q2172 WeakPolarHBondContact O-CB 3.42Å; V2168-Q2172 PolarHBondContact O-N 3.44Å
2173Q36.5Very low36.2Very low139 Ų139117.6 Ų117.665%0.6563%0.632SS**Hα-helixtrans-83.4-31167.2-76.8-178.2-25.500113.4R2169 Q2170 L2171 L2175 S2176R2169-Q2173 WeakPolarHBondContact O-CG 3.45Å; R2169-Q2173 PolarHBondContact O-N 3.3Å; Q2170-Q2173 PolarHBondContact O-N 3.43Å; L2171-Q2173 VanDerWaalsContact C-N 3.27Å; L2171-Q2173 PolarHBondContact O-N 3.29Å; Q2173-L2175 VanDerWaalsContact C-N 3.33Å; Q2173-S2176 PolarHBondContact O-N 3.39Å; Q2173-S2176 PolarHBondContact O-OG 2.8Å
2174Q37Very low35.6Very low143 Ų143117.4 Ų117.467%0.66864%0.641SS**Hα-helixtrans-73.7-26.6174.9-74.5-169.6-46.100112.7Q2170 L2171 S2176Q2170-Q2174 PolarHBondContact O-N 3.3Å; L2171-Q2174 PolarHBondContact O-N 2.71Å; L2171-Q2174 VanDerWaalsContact O-N 3.14Å; Q2174-S2176 VanDerWaalsContact C-N 3.3Å
2175L33.4Very low34.8Very low143 Ų143119.8 Ų119.875%0.74965%0.651SS**THydrogen-bonded Turntrans-78.8-4.9172.2-71.5167.8000114.3L2171 Q2173L2171-L2175 WeakPolarHBondContact O-CG 3.45Å; L2171-L2175 PolarHBondContact O-N 2.66Å; Q2173-L2175 VanDerWaalsContact C-N 3.33Å
2176S30.3Very low34.3Very low71 Ų71125.2 Ų125.250%0.49767%0.672SS.*THydrogen-bonded Turntrans-101.69.8-175.271.80000115.4Q2173 Q2174Q2173-S2176 PolarHBondContact O-N 3.39Å; Q2173-S2176 PolarHBondContact O-OG 2.8Å; Q2174-S2176 VanDerWaalsContact C-N 3.3Å
2177N27.4Very low33.6Very low144 Ų144130 Ų13077%0.7768%0.684SS**SBendtrans-109.413.3-172.4-95.85.7000115.6
2178T29.4Very low32.8Very low132 Ų132128.4 Ų128.481%0.8169%0.692SS**  trans-119.159.8172.130.40000111.1P2180T2178-P2180 WeakPolarHBondContact O-CD 3.48Å
2179Q26Very low31.7Very low160 Ų160136.1 Ų136.175%0.74871%0.713SS**  trans-105.8106.4179-173.6174.544.900111.2
2180P27.8Very low31Very low113 Ų113135.8 Ų135.873%0.73471%0.713SS**  trans-67.2156.115930.8-33.3000109.9T2178T2178-P2180 WeakPolarHBondContact O-CD 3.48Å
2181Q29.3Very low30.5Very low181 Ų181136.9 Ų136.985%0.84672%0.722SS**  trans-61.8144.1-168.6-68.1-173.5-7.500113.8S2183Q2181-S2183 PolarHBondContact O-N 3.09Å; Q2181-S2183 VanDerWaalsContact O-N 3.1Å
2182P27.4Very low30Very low110 Ų110139.3 Ų139.371%0.71474%0.735SS**  trans-77.892.2172.732.3-33.5000110.8
2183S26.2Very low29.6Very low111 Ų111139.4 Ų139.478%0.77674%0.74SS**  trans-70.8125.4160.944.10000109.5Q2181 N2185Q2181-S2183 PolarHBondContact O-N 3.09Å; Q2181-S2183 VanDerWaalsContact O-N 3.1Å; S2183-N2185 PolarHBondContact O-N 3.39Å
2184T26.5Very low29.2Very low145 Ų145139.5 Ų139.589%0.8975%0.745SS**  trans-75.791.1-178.147.10000111.4
2185N28.4Very low28.7Very low135 Ų135139.3 Ų139.372%0.72275%0.75SS**  trans-151130.3160.8-147-11000110.9S2183 F2187S2183-N2185 PolarHBondContact O-N 3.39Å; N2185-F2187 PolarHBondContact O-N 3.27Å
2186I30.4Very low28.4Very low158 Ų158139 Ų13981%0.8175%0.75SS**THydrogen-bonded Turntrans-82.6-12.7-163.4-75.8174.9000113.8
2187F32.3Very low28.3Very low152 Ų152143.9 Ų143.967%0.66777%0.768SS**THydrogen-bonded Turntrans-102.712.3-176.8-68.7-85.5000114.8N2185 R2189N2185-F2187 PolarHBondContact O-N 3.27Å; F2187-R2189 VanDerWaalsContact C-N 3.3Å; F2187-R2189 PolarHBondContact O-N 3.31Å; F2187-R2189 VanDerWaalsContact O-N 3.15Å
2188G25.7Very low28.4Very low70 Ų70143.8 Ų143.872%0.72277%0.768SS**  trans-80.120-171.700000117.8
2189R26.3Very low28.3Very low241 Ų241144.8 Ų144.891%0.90976%0.764SS**  trans-142.659.9174.2-87.5-163.4173.9-161-0.7111.2F2187F2187-R2189 VanDerWaalsContact C-N 3.3Å; F2187-R2189 PolarHBondContact O-N 3.31Å; F2187-R2189 VanDerWaalsContact O-N 3.15Å
2190Y33.1Very low28.5Very low162 Ų162143.5 Ų143.564%0.63577%0.766SS**  trans-138.50165.5-69.8-74.2000108.4D1310D1310-Y2190 PolarHBondContact OD2-OH 3.13Å

Retrieved 2,190 of 2,190 residues in 1140.7 ms (Link to these results)